[ { "path": ".gitmodules", "content": "[submodule \"deepdock/masif\"]\n\tpath = deepdock/masif\n\turl = https://github.com/LPDI-EPFL/masif.git\n" }, { "path": "Dockerfile", "content": "# The base image we are going to use.\nFROM nvcr.io/nvidia/pytorch:19.10-py3\n\n#Do some basic preparations\nRUN conda install -c anaconda joblib -y\n\nRUN pip install ipython jupyter jupyter-tensorboard --upgrade && \\\n jupyter tensorboard enable --system\n\n#RUN pip install packages\nRUN conda install -c conda-forge rdkit=2019.09.1 -y && \\\n pip install \\\n cupy-cuda101 \\\n torch==1.4.0 \\\n torch-scatter==2.0.4 -f https://pytorch-geometric.com/whl/torch-1.4.0+cu101.html \\\n torch-sparse==0.6.1 -f https://pytorch-geometric.com/whl/torch-1.4.0+cu101.html \\\n torch-cluster==1.5.3 -f https://pytorch-geometric.com/whl/torch-1.4.0+cu101.html \\\n torch-spline-conv==1.2.0 -f https://pytorch-geometric.com/whl/torch-1.4.0+cu101.html \\\n torch_geometric==1.4.3 \\\n numpy==1.16.6 \\\n plyfile==0.7.2 \\\n pandas==0.25.1 \\\n networkx==2.5 \\\n scikit_learn==0.21.3 \\\n matplotlib \\\n transformers==4.2.2 \\\n trimesh==3.6.5 \\\n Biopython \\\n py3Dmol\n\nWORKDIR /\nRUN wget --no-check-certificate https://github.com/PyMesh/PyMesh/releases/download/v0.2.0/pymesh2-0.2.0-cp36-cp36m-linux_x86_64.whl && \\\n pip install pymesh2-0.2.0-cp36-cp36m-linux_x86_64.whl && \\\n git clone https://github.com/shenwanxiang/ChemBench.git && \\\n cd ChemBench && \\\n pip install -e .\n\n \n# Install APBS, PDB2PQR and MSMSto calculate target mesh with MaSIF\n# install necessary dependencies\nRUN apt-get update && \\\n apt-get install -y wget git unzip cmake vim libgl1-mesa-glx\n\n# DOWNLOAD/INSTALL APBS\nRUN mkdir /install\nWORKDIR /install\nRUN git clone https://github.com/Electrostatics/apbs-pdb2pqr && \\\n git clone https://github.com/swig/swig.git\n\nWORKDIR /install/swig\nRUN git checkout tags/v4.0.2 && \\\n apt-get install -y automake && \\\n ./autogen.sh && \\\n ./configure && \\\n apt-get install -y bison flex && \\\n make && \\\n make install\n\nWORKDIR /install/apbs-pdb2pqr\nRUN git checkout b3bfeec && \\\n git submodule update --init --recursive && \\\n cmake -DGET_MSMS=ON apbs && \\\n make && \\\n make install && \\\n cp -r /install/apbs-pdb2pqr/apbs/externals/mesh_routines/msms/msms_i86_64Linux2_2.6.1 /root/msms/ && \\\n curl https://bootstrap.pypa.io/pip/3.6/get-pip.py -o get-pip.py && \\\n python get-pip.py\n\n# INSTALL PDB2PQR\nWORKDIR /install/apbs-pdb2pqr/pdb2pqr\nRUN apt-get -y install python-dev python3-dev && \\\n python2.7 scons/scons.py install PREFIX=\"/usr/local/bin/pdb2pqr\"\n\n# Setup environment variables\nENV MSMS_BIN /usr/local/bin/msms\nENV APBS_BIN /usr/local/bin/apbs\nENV MULTIVALUE_BIN /usr/local/share/apbs/tools/bin/multivalue\nENV PDB2PQR_BIN /usr/local/bin/pdb2pqr/pdb2pqr.py\n\n# DOWNLOAD reduce (for protonation)\nWORKDIR /install\nRUN git clone https://github.com/rlabduke/reduce.git && \\\n cd reduce && \\\n git checkout b3aac6e && \\\n make && \\\n apt-get install sudo -y && \\\n sudo make install\n\n# Clone deepdock and install \nWORKDIR /\nRUN git clone https://github.com/OptiMaL-PSE-Lab/DeepDock.git && \\\n cd DeepDock && \\\n git checkout v1.0.0 && \\\n git submodule update --init --recursive && \\\n pip install -e . && \\\n cd data && \\\n wget https://ndownloader.figshare.com/files/27800817 -O dataset_CASF-2016_285.tar\n\n# create a conda environment to run python2.7\nRUN conda create -y -n python2_env \\\n python=2.7 \\\n numpy \\\n pandas \\\n scipy \\\n scikit-learn \\\n jinja2 && \\\n conda init bash\n" }, { "path": "LICENSE", "content": "MIT License\n\nCopyright (c) 2021 OptiMaL PSE Lab\n\nPermission is hereby granted, free of charge, to any person obtaining a copy\nof this software and associated documentation files (the \"Software\"), to deal\nin the Software without restriction, including without limitation the rights\nto use, copy, modify, merge, publish, distribute, sublicense, and/or sell\ncopies of the Software, and to permit persons to whom the Software is\nfurnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in all\ncopies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\nIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\nFITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\nAUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\nLIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,\nOUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE\nSOFTWARE.\n" }, { "path": "README.md", "content": "\n# DeepDock\nCode related to: [O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules, Nature Machine Intelligence volume 3, pages1033–1039 (2021)](https://rdcu.be/cDy5f)\n\nOpen access preprint [available here](https://doi.org/10.26434/chemrxiv.14453106.v1)\n\n\n#### Use [v1.0.0](https://github.com/OptiMaL-PSE-Lab/DeepDock/releases/tag/v1.0.0) to reproduce results reported in the paper\n\nhttps://user-images.githubusercontent.com/48085126/116097409-68553d80-a6aa-11eb-9426-91713394c3c3.mp4\n\n\n
\n Table of Contents\n
    \n
  1. About The Project
    2. \n
  2. \n Getting Started\n \n
    3. \n
  3. Usage
    4. \n
  4. License
    5. \n
  5. Contact
    6. \n
  6. Acknowledgements
    7. \n
\n
\n\n\n\n## About The Project\n\nThis method is based on geometric deep learning and is capable of predicting the binding conformations of ligands to protein targets. Concretely, the model learns a statistical potential based on distance likelihood which is tailor-made for each ligand-target pair. This potential can be coupled with global optimization algorithms to reproduce experimental binding conformations of ligands.\n\nWe showed that:\n* Geometric deep learning can learn a potential based on distance likelihood for ligand-target interactions \n* This potential performs similar or better than well-established scoring functions for docking and screening tasks\n* It can be coupled with global optimization algorithms to reproduce experimental binding conformations of ligands\n\n![Fig1](https://user-images.githubusercontent.com/48085126/116094593-f5e35e00-a6a7-11eb-871a-2ef80002b824.jpg)\n\n\n\n## Getting Started\n\n\n### Prerequisites\n\nThis package runs using Pytorch and Pytorch Geometric. On top it uses standard packages such as pandas and numpy. For the complete list have a look into the [requirements.txt](https://github.com/OptiMaL-PSE-Lab/DeepDock/blob/main/requirements.txt) file\n* install requirements.txt\n ```sh\n pip install -r requirements.txt\n ```\n* install RDKIT \n ```sh\n conda install -c conda-forge rdkit=2019.09.1\n ```\n### Installation\n\n#### Using Docker image\n\n1. Install [docker](https://docs.docker.com/install/)\n2. Pull docker image from [DockerHub](https://hub.docker.com/repository/docker/omendezlucio/deepdock)\n ```sh\n docker pull omendezlucio/deepdock\n ```\n3. Launch the container.\n ```sh\n docker run -it omendezlucio/deepdock:latest\n ```\n\n#### Using Dockerfile\nTo build an image and run it from scratch:\n\n1. Install [docker](https://docs.docker.com/install/)\n2. Clone repo and move into project folder.\n ```sh\n git clone https://github.com/OptiMaL-PSE-Lab/DeepDock.git\n cd DeepDock\n ```\n3. Build the docker image. This takes 20-30 mins to build\n ```sh\n docker build -t deepdock:latest .\n ```\n4. Launch the container.\n ```sh\n docker run -it --rm --name deepdock-env deepdock:latest\n ```\n\n#### From source\n\n1. Clone the repo\n ```sh\n git clone https://github.com/OptiMaL-PSE-Lab/DeepDock.git\n ```\n2. Move into the project folder and update submodules\n ```sh\n cd DeepDock\n git submodule update --init --recursive\n ```\n3. Install prerequisite packages\n ```sh\n conda install -c conda-forge rdkit=2019.09.1\n pip install -r requirements.txt\n ```\n4. Install DeepDock pacakge\n ```sh\n pip install -e .\n ```\n \n## Data\n\nYou can get training and testing data following the next steps.\n\n1. Move into the project data folder\n ```sh\n cd DeepDock/data\n ```\n2. Use the following line to download the preprocessed data used to train and test the model. This will download two files, one containing PDBbind (2.3 GB) used for training and another containing CASF-2016 (32 MB) used for testing. These two files are enough to run all [examples](https://github.com/OptiMaL-PSE-Lab/DeepDock/blob/main/examples). \n ```sh\n source get_deepdock_data.sh\n ```\n2. In case you want to reproduce all results of the paper you will need to download the complete CASF-2016 set (~1.5 GB). You can do so with this command line from the data folder.\n ```sh\n source get_CASF_2016.sh\n ```\n \n\n## Usage\n\nUsage examples can be seen directly in the jupyter notebooks included in the repo. We added examples for:\n* [Training the model](https://github.com/OptiMaL-PSE-Lab/DeepDock/blob/main/examples/Train_DeepDock.ipynb)\n* [Score molecules](https://github.com/OptiMaL-PSE-Lab/DeepDock/blob/main/examples/Score_example.ipynb)\n* [Predict binding conformation (docking)](https://github.com/OptiMaL-PSE-Lab/DeepDock/blob/main/examples/Docking_example.ipynb)\n\n\n\n## License\n\nDistributed under the MIT License. See `LICENSE` for more information.\n\n\n\n## Contact\n\n[@omendezl](https://twitter.com/omendezlucio) and [@AntonioE89](https://twitter.com/antonioe89)\n\nProject Link: [DeepDock](https://github.com/OptiMaL-PSE-Lab/DeepDock)\n\n\n\n## Acknowledgements\n* [MaSIF](https://github.com/LPDI-EPFL/masif)\n* [Best-README-Template](https://github.com/othneildrew/Best-README-Template)\n\n\n\n\n" }, { "path": "Trained_models/DeepDock_pdbbindv2019_13K_loss.csv", "content": ",total_loss,mdn_loss,atom_loss,bond_loss,test_total_loss,test_mdn_loss,test_atom_loss,test_bond_loss\n0,1.6920992707054496,1.6917326012388432,0.24679810699621837,0.11987134235898654,1.5734917675128992,1.573409904973778,0.04726326830777794,0.03459926679779468\n1,1.610236895104439,1.6101755372489612,0.031637756643195944,0.02972009589721759,1.5628051858872047,1.5627680532665014,0.014466850126220763,0.022665768858364185\n2,1.6016512088590076,1.6016154615471367,0.014949649538348118,0.02079766066422065,1.5732743248264247,1.5732390921041672,0.011811776276086488,0.023420944209697696\n3,1.5925913400979934,1.5925652304309026,0.009394873999555905,0.01671479183944563,1.5653635439773743,1.565338476276029,0.005886255919486393,0.0191814442680932\n4,1.5832638935562056,1.5832422238343624,0.008037392827123404,0.013632327960990369,1.5506651497907609,1.5506529312598212,0.004389845098931909,0.007828685324216683\n5,1.5730397230772166,1.5730213709428504,0.006404550955755015,0.011947582545410841,1.5393705450973745,1.5393587719868433,0.003630704429302427,0.00814240556275002\n6,1.5609068209832202,1.560889734450215,0.006096887725343307,0.010989644433713208,1.5393710020127156,1.5393605988804882,0.00393268780206448,0.006470443858613819\n7,1.5556960111242013,1.5556800250597032,0.004851385372908165,0.011134678353990117,1.5364253887729997,1.536416051318104,0.002215998123398891,0.007121456295354721\n8,1.5472293716084806,1.5472141359730893,0.004449881408487757,0.010785753250991304,1.5376727798629384,1.5376629631763563,0.0024724828640384643,0.007344203258438094\n9,1.5377386652202871,1.5377246089208432,0.004001394683836649,0.010054904117737897,1.5320333086831421,1.5320234381479583,0.002515968979825487,0.0073545656927289675\n10,1.5303763355983993,1.5303632570137253,0.0035464020372834057,0.009532182021113113,1.5252370608472567,1.5252292471414812,0.0017665801012226679,0.006047125301086572\n11,1.5239413742602708,1.5239284287974,0.0036216123550819853,0.009323849921351454,1.526087568801462,1.5260790228395513,0.0019220287373630791,0.006623932773725286\n12,1.5178844040938395,1.5178719599118922,0.003628853487720092,0.008815327861346305,1.5285864948306551,1.5285805592804418,0.00145784480745571,0.004477705150412092\n13,1.513366448128461,1.5133541209039456,0.003697154223965481,0.008630069699161686,1.5228137651621834,1.5228063605461608,0.0011594079170243977,0.006245207723706856\n14,1.493964278939106,1.4939521066592554,0.003826044987514615,0.008346234283262553,1.4625929038895271,1.462585111948382,0.002434664405531069,0.005357276342384075\n15,1.442450902311755,1.4424375580667184,0.004395450007123873,0.008948794400699747,1.4372369659689193,1.4372274929803037,0.0031128954720576435,0.006360092633553721\n16,1.4218484690335353,1.421833739867128,0.004823902113502845,0.009905263574219619,1.4184015962452226,1.418393577862445,0.001477057120545434,0.006541325324358917\n17,1.4046474573712333,1.404634032148502,0.00408609597516867,0.00933912614043802,1.4029322391525334,1.4029241780234665,0.001214231661423261,0.0068468970701629165\n18,1.393782944497606,1.3937697241280582,0.004237730846391059,0.008982638067790929,1.393839820505432,1.3938328304255965,0.0015756715582836546,0.005414407915481208\n19,1.3836190794389494,1.3836049969396156,0.0037157638509757816,0.010366734823118895,1.3816915160783931,1.3816833395434813,0.00159585416919842,0.006580680322203337\n20,1.3752576826035874,1.3752437305224599,0.0034024670153778667,0.010549613449365522,1.37725967017135,1.3772512945903275,0.0013816499311988593,0.006993930695895937\n21,1.3682033459485727,1.3681883330573135,0.003497376031327682,0.01151551448830093,1.3569608714690733,1.356952237021647,0.0016319878868418544,0.007002459119885463\n22,1.3625047054382544,1.3624894145385076,0.0037960920457184937,0.011494806978246197,1.354082554906149,1.3540733218517205,0.002211584785362188,0.007021469186007672\n23,1.3565242391879504,1.3565088536742487,0.003464339782227762,0.011921173189735661,1.348388082003562,1.3483795003157981,0.00167128045592672,0.006910406894586373\n24,1.3514116937970326,1.3513946540940358,0.0034876324504070607,0.013552069724475344,1.3479498228434061,1.3479407093725295,0.001757056643105597,0.007356413782812006\n25,1.346477924079756,1.3464606443364384,0.003474392659139509,0.01380534981985887,1.3329010174973603,1.332891297526596,0.0016401604997858439,0.008079809819510985\n26,1.342115865111611,1.3420978367422474,0.0035916522352956236,0.014436716268801442,1.3335975665473514,1.333586626325037,0.001855687289883675,0.009084534502154571\n27,1.3371858425632883,1.337166845563751,0.004317887863943663,0.014679110791984324,1.3375967630911212,1.337586511759464,0.0018480784138190254,0.008403252781625637\n28,1.332329151291059,1.3323087993705442,0.004543405316843807,0.015808514225048323,1.3290810069455739,1.32907059360668,0.0016266307488467745,0.008786707625236572\n29,1.3276113688007833,1.327590043110573,0.00435470470150467,0.016970984523246687,1.31586983192116,1.3158569589821718,0.0017300802994723518,0.0111428580506437\n30,1.3229092144771808,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}, { "path": "Validation_CASF2016/CASF2016_DockingPower_DeepDock.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [13:44:39] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 1,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import torch_geometric\\n\",\n \"import torch.distributions as D\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"from rdkit import Chem, DataStructs\\n\",\n \"from rdkit.Chem import AllChem, Draw, rdFMCS, rdMolTransforms\\n\",\n \"from rdkit.Chem.rdMolAlign import AlignMol\\n\",\n \"from rdkit.Chem import PandasTools\\n\",\n \"from rdkit import rdBase\\n\",\n \"import glob\\n\",\n \"import os\\n\",\n \"\\n\",\n \"import deepdock \\n\",\n \"from deepdock.utils.distributions import *\\n\",\n \"from deepdock.utils.data import *\\n\",\n \"from deepdock.models import *\\n\",\n \"\\n\",\n \"%matplotlib inline\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\\n\",\n \"torch.manual_seed(123)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 2,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"#device = 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\\n\",\n \"\\n\",\n \"checkpoint = torch.load(deepdock.__path__[0]+'/../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk', map_location=torch.device(device))\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Complexes from pdbBind: 285\\n\"\n ]\n }\n ],\n \"source\": [\n \"db_complex = PDBbind_complex_dataset(data_path=deepdock.__path__[0]+'/../data/dataset_CASF-2016_285.tar', \\n\",\n \" min_target_nodes=None, max_ligand_nodes=None)\\n\",\n \"print('Complexes from pdbBind:', len(db_complex))\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"class input_dataset(Dataset):\\n\",\n \" def __init__(self, mols, target_mesh, labels=None, transform=None, pre_transform=None):\\n\",\n \" super(input_dataset, self).__init__()\\n\",\n \" \\n\",\n \" self.mols = [from_networkx(mol2graph.mol_to_nx(m)) for m in mols]\\n\",\n \" self.target_mesh = target_mesh\\n\",\n \" self.labels = labels\\n\",\n \" if labels is None:\\n\",\n \" self.labels = range(len(self.mols))\\n\",\n \" \\n\",\n \" def len(self):\\n\",\n \" return len(self.mols)\\n\",\n \"\\n\",\n \" def get(self, idx):\\n\",\n \" return self.mols[idx], self.target_mesh, self.labels[idx]\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"CPU times: user 6min 1s, sys: 7.56 s, total: 6min 9s\\n\",\n \"Wall time: 3min 50s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"from torch_scatter import scatter_add\\n\",\n \"results = []\\n\",\n \"\\n\",\n \"for target_data in db_complex:\\n\",\n \" model.eval()\\n\",\n \" ligand, target, _, pdbid = target_data\\n\",\n \" decoys = Mol2MolSupplier(file=deepdock.__path__[0]+'/../data/CASF-2016/decoys_docking/'+pdbid+'_decoys.mol2', \\n\",\n \" sanitize=False, cleanupSubstructures=False)\\n\",\n \" decoy_names = [m.GetProp('Name') for m in decoys]\\n\",\n \" db_decoys = input_dataset(decoys, target, decoy_names)\\n\",\n \" loader_decoys = DataLoader(db_decoys, batch_size=20, shuffle=False)\\n\",\n \" #print(pdbid)\\n\",\n \"\\n\",\n \" for data in loader_decoys:\\n\",\n \" decoy, target, cpd_name = data\\n\",\n \" decoy, target = decoy.to(device), target.to(device)\\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(decoy, target)\\n\",\n \"\\n\",\n \" normal = Normal(mu, sigma)\\n\",\n \" logprob = normal.log_prob(dist.expand_as(normal.loc))\\n\",\n \" logprob += torch.log(pi)\\n\",\n \" prob = logprob.exp().sum(1)\\n\",\n \" prob_all = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob[torch.where(dist > 10)[0]] = 0.\\n\",\n \" prob_10 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob[torch.where(dist > 7)[0]] = 0.\\n\",\n \" prob_7 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \"\\n\",\n \" prob[torch.where(dist > 5)[0]] = 0.\\n\",\n \" prob_5 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \"\\n\",\n \" prob[torch.where(dist > 3)[0]] = 0.\\n\",\n \" prob_3 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob = torch.stack([prob_3, prob_5, prob_7, prob_10, prob_all],dim=1)\\n\",\n \" #print(pdbid, cpd_name, prob_all.cpu().detach().numpy())\\n\",\n \" results.append(np.concatenate([np.expand_dims(np.repeat(pdbid, len(cpd_name)), axis=1), \\n\",\n \" np.expand_dims(cpd_name, axis=1), \\n\",\n \" prob.cpu().detach().numpy()], axis=1))\\n\",\n \" \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"(22492, 7)\\n\"\n ]\n },\n {\n \"data\": {\n \"text/html\": [\n \"
\\n\",\n \"\\n\",\n \"\\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \"
PDB_IDCpd_NameScore_3AScore_5AScore_7AScore_10AScore_all
04k184k18_10041.7124709276148355.009993938744341234.19888974332161265.83319697101051265.8335978696152
14k184k18_10536.50107725111608320.58263894974871098.71965284818931128.43318042240621128.4344001617458
24k184k18_10756.13413997037191406.66582145222551261.54766375914441298.8351926879071298.835338794891
34k184k18_11844.23784542273988336.97212884029661252.5967657319671287.0062237746161287.0066010553867
44k184k18_12242.72467596870927342.78471579906171211.3679310587251252.0294006361681252.029755610901
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" PDB_ID Cpd_Name Score_3A Score_5A Score_7A \\\\\\n\",\n \"0 4k18 4k18_100 41.7124709276148 355.00999393874434 1234.1988897433216 \\n\",\n \"1 4k18 4k18_105 36.50107725111608 320.5826389497487 1098.7196528481893 \\n\",\n \"2 4k18 4k18_107 56.13413997037191 406.6658214522255 1261.5476637591444 \\n\",\n \"3 4k18 4k18_118 44.23784542273988 336.9721288402966 1252.596765731967 \\n\",\n \"4 4k18 4k18_122 42.72467596870927 342.7847157990617 1211.367931058725 \\n\",\n \"\\n\",\n \" Score_10A Score_all \\n\",\n \"0 1265.8331969710105 1265.8335978696152 \\n\",\n \"1 1128.4331804224062 1128.4344001617458 \\n\",\n \"2 1298.835192687907 1298.835338794891 \\n\",\n \"3 1287.006223774616 1287.0066010553867 \\n\",\n \"4 1252.029400636168 1252.029755610901 \"\n ]\n },\n \"execution_count\": 6,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"results = np.concatenate(results, axis=0)\\n\",\n \"results = pd.DataFrame(np.asarray(results), columns=['PDB_ID', 'Cpd_Name', 'Score_3A', 'Score_5A', 'Score_7A', 'Score_10A', 'Score_all'])\\n\",\n \"results.to_csv('Score_decoys_docking_CASF2016.csv', index=False)\\n\",\n \"print(results.shape)\\n\",\n \"results.head() \"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"import pandas as pd\\n\",\n \"\\n\",\n \"df = pd.read_csv('Score_decoys_docking_CASF2016.csv')\\n\",\n \"pdbids = df.PDB_ID.unique()\\n\",\n \"print(len(pdbids))\\n\",\n \"\\n\",\n \"for pdbid in pdbids:\\n\",\n \"\\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_3A']]\\n\",\n \" df1.columns= ['#code', 'score']\\n\",\n \" df1.to_csv('DockingPower_DeepDock_3A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_5A']]\\n\",\n \" df1.columns= ['#code', 'score']\\n\",\n \" df1.to_csv('DockingPower_DeepDock_5A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_7A']]\\n\",\n \" df1.columns= ['#code', 'score']\\n\",\n \" df1.to_csv('DockingPower_DeepDock_7A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_10A']]\\n\",\n \" df1.columns= ['#code', 'score']\\n\",\n \" df1.to_csv('DockingPower_DeepDock_10A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_all']]\\n\",\n \" df1.columns= ['#code', 'score']\\n\",\n \" df1.to_csv('DockingPower_DeepDock_all/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"python /data/CASF-2016/power_docking/docking_power.py -c /data/CASF-2016/power_docking/CoreSet.dat -s scores -r /data/CASF-2016/decoys_docking/ -p 'positive' -l 2 -o 'DeepDock' > DockingPower_DeepDock_all.out\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python 3\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.9\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "Validation_CASF2016/CASF2016_ScoringPower_DeepDock.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [13:42:42] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 1,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import torch_geometric\\n\",\n \"import torch.distributions as D\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"from rdkit import Chem, DataStructs\\n\",\n \"from rdkit.Chem import AllChem, Draw, rdFMCS, rdMolTransforms\\n\",\n \"from rdkit.Chem.rdMolAlign import AlignMol\\n\",\n \"from rdkit.Chem import PandasTools\\n\",\n \"from rdkit import rdBase\\n\",\n \"import glob\\n\",\n \"import os\\n\",\n \"\\n\",\n \"import deepdock\\n\",\n \"from deepdock.utils.distributions import *\\n\",\n \"from deepdock.utils.data import *\\n\",\n \"from deepdock.models import *\\n\",\n \"\\n\",\n \"%matplotlib inline\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\\n\",\n \"torch.manual_seed(123)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 2,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"#device = 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\\n\",\n \"\\n\",\n \"checkpoint = torch.load(deepdock.__path__[0]+'/../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk', map_location=torch.device(device))\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Complexes from pdbBind: 285\\n\"\n ]\n }\n ],\n \"source\": [\n \"db_complex = PDBbind_complex_dataset(data_path=deepdock.__path__[0]+'/../data/dataset_CASF-2016_285.tar', \\n\",\n \" min_target_nodes=None, max_ligand_nodes=None)\\n\",\n \"print('Complexes from pdbBind:', len(db_complex))\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"CPU times: user 6.46 s, sys: 333 ms, total: 6.79 s\\n\",\n \"Wall time: 4.8 s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"from torch_scatter import scatter_add\\n\",\n \"results = []\\n\",\n \"\\n\",\n \"model.eval()\\n\",\n \"loader = DataLoader(db_complex, batch_size=20, shuffle=False)\\n\",\n \"\\n\",\n \"for data in loader:\\n\",\n \" ligand, target, _, pdbid = data\\n\",\n \" ligand, target = ligand.to(device), target.to(device)\\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\\n\",\n \"\\n\",\n \" normal = Normal(mu, sigma)\\n\",\n \" logprob = normal.log_prob(dist.expand_as(normal.loc))\\n\",\n \" logprob += torch.log(pi)\\n\",\n \" prob = logprob.exp().sum(1)\\n\",\n \" prob_all = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob[torch.where(dist > 10)[0]] = 0.\\n\",\n \" prob_10 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob[torch.where(dist > 7)[0]] = 0.\\n\",\n \" prob_7 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \"\\n\",\n \" prob[torch.where(dist > 5)[0]] = 0.\\n\",\n \" prob_5 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \"\\n\",\n \" prob[torch.where(dist > 3)[0]] = 0.\\n\",\n \" prob_3 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob = torch.stack([prob_3, prob_5, prob_7, prob_10, prob_all],dim=1)\\n\",\n \" #print(pdbid, cpd_name, prob_all.cpu().detach().numpy())\\n\",\n \" results.append(np.concatenate([np.expand_dims(pdbid, axis=1), \\n\",\n \" prob.cpu().detach().numpy()], axis=1))\\n\",\n \" \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"(285, 6)\\n\"\n ]\n },\n {\n \"data\": {\n \"text/html\": [\n \"
\\n\",\n \"\\n\",\n \"\\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \"
PDB_IDScore_3AScore_5AScore_7AScore_10AScore_all
04k1864.25368680000449420.58987051812991376.7626618138911410.01625683677551410.01638602799
14qac83.2844061298711450.012569689995871128.06627640966961154.76730630102771154.7690904503804
21o3f187.7132053065723778.55961221827681779.24398756409411823.10010011656551823.110781221914
34ih735.630378250691514270.11676199153787.7759051254867814.7537476029596814.755215144911
43dx149.94476787861658202.24570100387868449.72902901247784462.38353806385936462.39191325604116
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" PDB_ID Score_3A Score_5A Score_7A \\\\\\n\",\n \"0 4k18 64.25368680000449 420.5898705181299 1376.762661813891 \\n\",\n \"1 4qac 83.2844061298711 450.01256968999587 1128.0662764096696 \\n\",\n \"2 1o3f 187.7132053065723 778.5596122182768 1779.2439875640941 \\n\",\n \"3 4ih7 35.630378250691514 270.11676199153 787.7759051254867 \\n\",\n \"4 3dx1 49.94476787861658 202.24570100387868 449.72902901247784 \\n\",\n \"\\n\",\n \" Score_10A Score_all \\n\",\n \"0 1410.0162568367755 1410.01638602799 \\n\",\n \"1 1154.7673063010277 1154.7690904503804 \\n\",\n \"2 1823.1001001165655 1823.110781221914 \\n\",\n \"3 814.7537476029596 814.755215144911 \\n\",\n \"4 462.38353806385936 462.39191325604116 \"\n ]\n },\n \"execution_count\": 5,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"results = np.concatenate(results, axis=0)\\n\",\n \"results = pd.DataFrame(np.asarray(results), columns=['PDB_ID', 'Score_3A', 'Score_5A', 'Score_7A', 'Score_10A', 'Score_all'])\\n\",\n \"results.to_csv('Score_CoreSet_docking_CASF2016.csv', index=False)\\n\",\n \"print(results.shape)\\n\",\n \"results.head() \"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"import pandas as pd\\n\",\n \"\\n\",\n \"df = pd.read_csv('Score_CoreSet_docking_CASF2016.csv')\\n\",\n \"\\n\",\n \"df1 = df[['PDB_ID', 'Score_3A']]\\n\",\n \"df1.columns= ['#code', 'score']\\n\",\n \"df1.to_csv('ScoringPower_Deepdock/scores/Deepdock_3A.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \"df1 = df[['PDB_ID', 'Score_5A']]\\n\",\n \"df1.columns= ['#code', 'score']\\n\",\n \"df1.to_csv('ScoringPower_Deepdock/scores/Deepdock_5A.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \"df1 = df[['PDB_ID', 'Score_7A']]\\n\",\n \"df1.columns= ['#code', 'score']\\n\",\n \"df1.to_csv('ScoringPower_Deepdock/scores/Deepdock_7A.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \"df1 = df[['PDB_ID', 'Score_10A']]\\n\",\n \"df1.columns= ['#code', 'score']\\n\",\n \"df1.to_csv('ScoringPower_Deepdock/scores/Deepdock_10A.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \"df1 = df[['PDB_ID', 'Score_all']]\\n\",\n \"df1.columns= ['#code', 'score']\\n\",\n \"df1.to_csv('ScoringPower_Deepdock/scores/Deepdock_all.dat', index=False, sep='\\\\t')\"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"python /data/CASF-2016/power_scoring/scoring_power.py -c /data/CASF-2016/power_scoring/CoreSet.dat -s ./scores/Deepdock_all.dat -p 'positive' -o 'Deepdock' > ScoringPower_Deepdock_all.out\\n\",\n \"\\n\",\n \"python /data/CASF-2016/power_ranking/ranking_power.py -c /data/CASF-2016/power_ranking/CoreSet.dat -s ./scores/Deepdock_all.dat -p 'positive' -o 'Deepdock' > RankingPower_Deepdock_all.out\\n\"\n ]\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python 3\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.9\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "Validation_CASF2016/CASF2016_ScreeningPower_DeepDock.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [14:02:01] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 1,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import torch_geometric\\n\",\n \"import torch.distributions as D\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"from rdkit import Chem, DataStructs\\n\",\n \"from rdkit.Chem import AllChem, Draw, rdFMCS, rdMolTransforms\\n\",\n \"from rdkit.Chem.rdMolAlign import AlignMol\\n\",\n \"from rdkit.Chem import PandasTools\\n\",\n \"from rdkit import rdBase\\n\",\n \"import glob\\n\",\n \"import os\\n\",\n \"\\n\",\n \"import deepdock\\n\",\n \"from deepdock.utils.distributions import *\\n\",\n \"from deepdock.utils.data import *\\n\",\n \"from deepdock.models import *\\n\",\n \"\\n\",\n \"%matplotlib inline\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\\n\",\n \"torch.manual_seed(123)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 2,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\\n\",\n \"\\n\",\n \"checkpoint = torch.load(deepdock.__path__[0]+'/../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk', map_location=torch.device(device))\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Complexes from pdbBind: 285\\n\"\n ]\n }\n ],\n \"source\": [\n \"db_complex = PDBbind_complex_dataset(data_path=deepdock.__path__[0]+'/../data/dataset_CASF-2016_285.tar', \\n\",\n \" min_target_nodes=None, max_ligand_nodes=None)\\n\",\n \"print('Complexes from pdbBind:', len(db_complex))\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"class input_dataset(Dataset):\\n\",\n \" def __init__(self, mols, target_mesh, labels=None, transform=None, pre_transform=None):\\n\",\n \" super(input_dataset, self).__init__()\\n\",\n \" \\n\",\n \" self.mols = [from_networkx(mol2graph.mol_to_nx(m)) for m in mols]\\n\",\n \" self.target_mesh = target_mesh\\n\",\n \" self.labels = labels\\n\",\n \" if labels is None:\\n\",\n \" self.labels = range(len(self.mols))\\n\",\n \" \\n\",\n \" def len(self):\\n\",\n \" return len(self.mols)\\n\",\n \"\\n\",\n \" def get(self, idx):\\n\",\n \" return self.mols[idx], self.target_mesh, self.labels[idx]\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"CPU times: user 6h 54min 8s, sys: 9min 26s, total: 7h 3min 35s\\n\",\n \"Wall time: 4h 25min 33s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"import glob\\n\",\n \"from torch_scatter import scatter_add\\n\",\n \"target_files = [f.split('/')[-1] for f in glob.glob(deepdock.__path__[0]+'/../data/CASF-2016/decoys_screening/*', recursive=False)]\\n\",\n \"results = []\\n\",\n \"\\n\",\n \"\\n\",\n \"for target_data in db_complex:\\n\",\n \" model.eval()\\n\",\n \" ligand, target, _, pdbid = target_data\\n\",\n \" if pdbid in target_files: \\n\",\n \" decoy_files = [f.split('/')[-1] for f in glob.glob(deepdock.__path__[0]+'/../data/CASF-2016/decoys_screening/'+pdbid+'/*.mol2', recursive=False)]\\n\",\n \" else:\\n\",\n \" continue\\n\",\n \" \\n\",\n \" for file in decoy_files:\\n\",\n \" decoys = Mol2MolSupplier(file=deepdock.__path__[0]+'/../data/CASF-2016/decoys_screening/'+pdbid+'/'+file, \\n\",\n \" sanitize=False, cleanupSubstructures=False)\\n\",\n \" decoy_names = [m.GetProp('Name') for m in decoys]\\n\",\n \" db_decoys = input_dataset(decoys, target, decoy_names)\\n\",\n \" loader_decoys = DataLoader(db_decoys, batch_size=20, shuffle=False)\\n\",\n \" #print(pdbid)\\n\",\n \"\\n\",\n \" for data in loader_decoys:\\n\",\n \" decoy, target_temp, cpd_name = data\\n\",\n \" decoy, target_temp = decoy.to(device), target_temp.to(device)\\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(decoy, target_temp)\\n\",\n \"\\n\",\n \" normal = Normal(mu, sigma)\\n\",\n \" logprob = normal.log_prob(dist.expand_as(normal.loc))\\n\",\n \" logprob += torch.log(pi)\\n\",\n \" prob = logprob.exp().sum(1)\\n\",\n \" prob_all = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob[torch.where(dist > 10)[0]] = 0.\\n\",\n \" prob_10 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob[torch.where(dist > 7)[0]] = 0.\\n\",\n \" prob_7 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \"\\n\",\n \" prob[torch.where(dist > 5)[0]] = 0.\\n\",\n \" prob_5 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \"\\n\",\n \" prob[torch.where(dist > 3)[0]] = 0.\\n\",\n \" prob_3 = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\\n\",\n \" \\n\",\n \" prob = torch.stack([prob_3, prob_5, prob_7, prob_10, prob_all],dim=1)\\n\",\n \" #print(pdbid, cpd_name, prob_all.cpu().detach().numpy())\\n\",\n \" results.append(np.concatenate([np.expand_dims(np.repeat(pdbid, len(cpd_name)), axis=1), \\n\",\n \" np.expand_dims(cpd_name, axis=1), \\n\",\n \" prob.cpu().detach().numpy()], axis=1))\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"(1624500, 7)\\n\"\n ]\n },\n {\n \"data\": {\n \"text/html\": [\n \"
\\n\",\n \"\\n\",\n \"\\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \"
PDB_IDCpd_NameScore_3AScore_5AScore_7AScore_10AScore_all
01o3f4de2_ligand_17.25480962243095889.94999521484337447.3108304509815471.33409258768546471.33795008409413
11o3f4de2_ligand_102.243585352457315364.8291232744619469.6149662619709497.22048202034364497.22063628573727
21o3f4de2_ligand_1003.45111558567553678.15551585586073506.3139331427199554.3860309102873554.3878273892042
31o3f4de2_ligand_1064.784300354428733102.6058833211317590.7510395276462620.5011685339421620.5046101480829
41o3f4de2_ligand_1082.34941263560198376.80465950772964539.9298935579708575.3306395604491575.3335251313035
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" PDB_ID Cpd_Name Score_3A Score_5A \\\\\\n\",\n \"0 1o3f 4de2_ligand_1 7.254809622430958 89.94999521484337 \\n\",\n \"1 1o3f 4de2_ligand_10 2.2435853524573153 64.8291232744619 \\n\",\n \"2 1o3f 4de2_ligand_100 3.451115585675536 78.15551585586073 \\n\",\n \"3 1o3f 4de2_ligand_106 4.784300354428733 102.6058833211317 \\n\",\n \"4 1o3f 4de2_ligand_108 2.349412635601983 76.80465950772964 \\n\",\n \"\\n\",\n \" Score_7A Score_10A Score_all \\n\",\n \"0 447.3108304509815 471.33409258768546 471.33795008409413 \\n\",\n \"1 469.6149662619709 497.22048202034364 497.22063628573727 \\n\",\n \"2 506.3139331427199 554.3860309102873 554.3878273892042 \\n\",\n \"3 590.7510395276462 620.5011685339421 620.5046101480829 \\n\",\n \"4 539.9298935579708 575.3306395604491 575.3335251313035 \"\n ]\n },\n \"execution_count\": 6,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"results = np.concatenate(results, axis=0)\\n\",\n \"results = pd.DataFrame(np.asarray(results), columns=['PDB_ID', 'Cpd_Name', 'Score_3A', 'Score_5A', 'Score_7A', 'Score_10A', 'Score_all'])\\n\",\n \"results.to_csv('Score_decoys_screening_CASF2016.csv', index=False)\\n\",\n \"print(results.shape)\\n\",\n \"results.head() \"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"import pandas as pd\\n\",\n \"\\n\",\n \"df = pd.read_csv('Score_decoys_screening_CASF2016.csv')\\n\",\n \"pdbids = df.PDB_ID.unique()\\n\",\n \"print(len(pdbids))\\n\",\n \"\\n\",\n \"for pdbid in pdbids:\\n\",\n \"\\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_3A']]\\n\",\n \" df1.columns= ['#code_ligand_num', 'score']\\n\",\n \" df1.to_csv('ScreeningPower_DeepDock_3A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_5A']]\\n\",\n \" df1.columns= ['#code_ligand_num', 'score']\\n\",\n \" df1.to_csv('ScreeningPower_DeepDock_5A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_7A']]\\n\",\n \" df1.columns= ['#code_ligand_num', 'score']\\n\",\n \" df1.to_csv('ScreeningPower_DeepDock_7A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_10A']]\\n\",\n \" df1.columns= ['#code_ligand_num', 'score']\\n\",\n \" df1.to_csv('ScreeningPower_DeepDock_10A/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\\n\",\n \" \\n\",\n \" df1 = df[df.PDB_ID==pdbid][['Cpd_Name', 'Score_all']]\\n\",\n \" df1.columns= ['#code_ligand_num', 'score']\\n\",\n \" df1.to_csv('ScreeningPower_DeepDock_all/scores/'+pdbid+'_score.dat', index=False, sep='\\\\t')\"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"python /data/CASF-2016/power_screening/forward_screening_power.py -c /data/CASF-2016/power_screening/CoreSet.dat -s scores -t /data/CASF-2016/power_screening/TargetInfo.dat -p 'positive' -o 'Forward_DeepDock' > ForwardScreeningPower_DeepDock_all.out\\n\",\n \"\\n\",\n \"python /data/CASF-2016/power_screening/reverse_screening_power.py -c /data/CASF-2016/power_screening/CoreSet.dat -s scores -l /data/CASF-2016/power_screening/LigandInfo.dat -p 'positive' -o 'Reverse_DeepDock' > ReverseScreeningPower_DeepDock_all.out\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 8,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python 3\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.9\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "Validation_CASF2016/DockingPower_DeepDock_10A/DockingPower_DeepDock_10A.out", "content": " code Rank1 RMSD1 Rank2 RMSD2 Rank3 RMSD3\n1 4llx 4llx_386 0.33 4llx_302 0.27 4llx_519 1.25\n2 5c28 5c28_47 0.56 5c28_531 2.52 5c28_382 2.10\n3 3uuo 3uuo_709 0.60 3uuo_712 0.60 3uuo_711 0.55\n4 3ui7 3ui7_333 0.45 3ui7_16 0.63 3ui7_335 0.90\n5 5c2h 5c2h_244 0.59 5c2h_247 0.94 5c2h_240 0.46\n6 2v00 2v00_79 0.74 2v00_544 1.87 2v00_605 1.16\n7 3wz8 3wz8_376 0.84 3wz8_371 0.83 3wz8_391 0.96\n8 3pww 3pww_889 1.50 3pww_394 1.13 3pww_816 1.65\n9 3prs 3prs_711 1.08 3prs_701 1.22 3prs_706 1.74\n10 3uri 3uri_1000 0.94 3uri_1002 0.93 3uri_1001 0.91\n11 4m0z 4m0z_516 0.59 4m0z_686 1.31 4m0z_41 0.68\n12 4m0y 4m0y_814 1.81 4m0y_920 1.74 4m0y_952 1.65\n13 3qgy 3qgy_306 1.03 3qgy_20 1.13 3qgy_318 0.90\n14 4qd6 4qd6_954 1.59 4qd6_978 0.70 4qd6_939 1.27\n15 4rfm 4rfm_85 0.43 4rfm_354 0.71 4rfm_9 0.37\n16 4cr9 4cr9_423 1.85 4cr9_358 0.95 4cr9_690 1.66\n17 4cra 4cra_258 0.87 4cra_318 0.47 4cra_364 0.45\n18 4x6p 4x6p_312 0.67 4x6p_201 0.86 4x6p_254 0.57\n19 4crc 4crc_291 0.85 4crc_217 0.88 4crc_368 0.73\n20 4ty7 4ty7_106 0.56 4ty7_925 0.95 4ty7_62 1.05\n21 5aba 5aba_772 1.67 5aba_525 9.03 5aba_657 2.90\n22 5a7b 5a7b_623 1.71 5a7b_243 1.60 5a7b_286 0.74\n23 4agn 4agn_228 1.07 4agn_603 1.71 4agn_280 0.89\n24 4agp 4agp_656 1.92 4agp_612 2.14 4agp_350 0.97\n25 4agq 4agq_529 1.95 4agq_234 1.94 4agq_272 2.01\n26 3bgz 3bgz_653 1.48 3bgz_621 1.05 3bgz_472 1.94\n27 3jya 3jya_471 1.04 3jya_413 1.38 3jya_490 0.85\n28 2c3i 2c3i_818 1.74 2c3i_556 2.88 2c3i_823 0.88\n29 4k18 4k18_225 0.31 4k18_85 0.53 4k18_254 0.36\n30 5dwr 5dwr_382 0.46 5dwr_289 0.54 5dwr_193 0.94\n31 3mss 3mss_948 2.58 3mss_836 3.05 3mss_873 2.89\n32 3k5v 3k5v_152 8.28 3k5v_626 6.68 3k5v_810 3.09\n33 3pyy 3pyy_812 1.63 3pyy_822 1.59 3pyy_832 2.38\n34 2v7a 2v7a_338 0.60 2v7a_859 0.95 2v7a_784 1.76\n35 4twp 4twp_379 0.76 4twp_358 0.80 4twp_352 0.95\n36 3wtj 3wtj_328 0.31 3wtj_307 0.38 3wtj_222 1.05\n37 3zdg 3zdg_286 2.01 3zdg_758 2.33 3zdg_792 1.53\n38 3u8k 3u8k_564 4.38 3u8k_557 5.05 3u8k_584 4.59\n39 4qac 4qac_476 2.48 4qac_581 2.49 4qac_945 0.87\n40 3u8n 3u8n_928 0.84 3u8n_531 1.17 3u8n_869 2.66\n41 1a30 1a30_353 3.15 1a30_140 2.70 1a30_170 2.97\n42 2qnq 2qnq_277 2.31 2qnq_207 0.98 2qnq_287 1.42\n43 1g2k 1g2k_265 0.69 1g2k_242 1.13 1g2k_74 0.60\n44 1eby 1eby_262 1.01 1eby_295 0.87 1eby_238 0.95\n45 3o9i 3o9i_227 0.79 3o9i_38 0.68 3o9i_222 0.93\n46 4lzs 4lzs_70 0.69 4lzs_1 0.75 4lzs_61 0.87\n47 3u5j 3u5j_65 0.41 3u5j_54 0.63 3u5j_251 0.79\n48 4wiv 4wiv_829 0.86 4wiv_486 3.84 4wiv_838 0.87\n49 4ogj 4ogj_297 4.94 4ogj_795 3.64 4ogj_661 5.40\n50 3p5o 3p5o_759 0.69 3p5o_818 0.83 3p5o_108 0.92\n51 1ps3 1ps3_707 0.98 1ps3_734 0.86 1ps3_161 0.28\n52 3dx1 3dx1_382 0.79 3dx1_457 2.00 3dx1_25 0.33\n53 3d4z 3d4z_340 0.47 3d4z_376 0.31 3d4z_132 0.34\n54 3dx2 3dx2_990 0.58 3dx2_820 0.37 3dx2_380 0.41\n55 3ejr 3ejr_87 1.26 3ejr_360 0.41 3ejr_964 0.65\n56 3l7b 3l7b_38 0.42 3l7b_9 0.40 3l7b_47 0.77\n57 4eky 4eky_899 0.67 4eky_38 0.63 4eky_32 0.89\n58 3g2n 3g2n_35 0.79 3g2n_49 0.48 3g2n_55 0.78\n59 3syr 3syr_862 0.78 3syr_477 1.35 3syr_408 0.85\n60 3ebp 3ebp_476 3.98 3ebp_691 2.91 3ebp_597 3.81\n61 2w66 2w66_534 3.26 2w66_453 2.28 2w66_773 3.27\n62 2w4x 2w4x_756 2.01 2w4x_407 0.70 2w4x_417 0.86\n63 2wca 2wca_773 5.59 2wca_731 1.88 2wca_951 3.72\n64 2xj7 2xj7_812 0.40 2xj7_871 1.64 2xj7_914 0.27\n65 2vvn 2vvn_406 1.13 2vvn_401 1.83 2vvn_205 0.61\n66 3aru 3aru_573 2.65 3aru_311 0.67 3aru_450 2.24\n67 3arv 3arv_515 3.27 3arv_821 4.42 3arv_345 0.70\n68 3ary 3ary_858 6.03 3ary_762 1.40 3ary_844 1.23\n69 3arq 3arq_639 9.10 3arq_655 7.80 3arq_643 8.72\n70 3arp 3arp_17 1.39 3arp_67 0.98 3arp_284 1.83\n71 4ih5 4ih5_867 1.96 4ih5_192 3.09 4ih5_159 2.57\n72 4ih7 4ih7_461 2.23 4ih7_12 0.69 4ih7_438 1.86\n73 3cj4 3cj4_166 0.50 3cj4_179 0.76 3cj4_338 0.64\n74 4eo8 4eo8_30 0.50 4eo8_318 0.54 4eo8_206 0.55\n75 3gnw 3gnw_729 2.21 3gnw_155 5.15 3gnw_722 1.53\n76 1gpk 1gpk_159 0.76 1gpk_415 1.62 1gpk_328 0.52\n77 1gpn 1gpn_781 4.18 1gpn_600 1.09 1gpn_658 2.56\n78 1h23 1h23_815 1.15 1h23_347 0.89 1h23_12 1.81\n79 1h22 1h22_346 0.64 1h22_187 1.33 1h22_384 1.95\n80 1e66 1e66_661 2.74 1e66_712 1.76 1e66_404 0.97\n81 3f3a 3f3a_612 1.97 3f3a_552 2.20 3f3a_65 0.32\n82 3f3c 3f3c_508 0.97 3f3c_686 2.83 3f3c_466 1.55\n83 4mme 4mme_16 0.59 4mme_71 0.55 4mme_324 0.60\n84 3f3d 3f3d_287 1.55 3f3d_666 2.02 3f3d_516 1.38\n85 3f3e 3f3e_844 0.93 3f3e_451 1.15 3f3e_457 0.79\n86 2wbg 2wbg_331 0.93 2wbg_719 0.68 2wbg_734 1.53\n87 2cbv 2cbv_453 2.15 2cbv_945 0.99 2cbv_872 3.09\n88 2j78 2j78_311 0.37 2j78_326 0.70 2j78_458 1.14\n89 2j7h 2j7h_720 0.45 2j7h_912 0.48 2j7h_48 0.17\n90 2cet 2cet_313 0.85 2cet_734 0.98 2cet_756 0.77\n91 3udh 3udh_523 2.02 3udh_477 1.40 3udh_72 0.43\n92 3rsx 3rsx_249 0.76 3rsx_388 0.91 3rsx_515 0.79\n93 4djv 4djv_314 1.09 4djv_105 1.84 4djv_335 0.61\n94 2vkm 2vkm_296 1.05 2vkm_955 1.47 2vkm_707 0.95\n95 4gid 4gid_197 0.77 4gid_291 0.81 4gid_201 0.38\n96 4jfs 4jfs_899 0.85 4jfs_139 0.69 4jfs_362 0.66\n97 4j28 4j28_110 0.90 4j28_794 0.34 4j28_196 0.87\n98 2wvt 2wvt_736 0.85 2wvt_217 0.34 2wvt_922 0.61\n99 2xii 2xii_763 0.88 2xii_237 0.53 2xii_146 0.53\n100 4pcs 4pcs_196 0.41 4pcs_173 0.77 4pcs_812 0.56\n101 3rr4 3rr4_369 0.22 3rr4_701 0.44 3rr4_529 0.89\n102 1s38 1s38_305 0.47 1s38_432 0.84 1s38_485 0.99\n103 1r5y 1r5y_167 0.16 1r5y_341 0.31 1r5y_113 0.44\n104 3gc5 3gc5_426 0.97 3gc5_402 0.72 3gc5_464 0.92\n105 3ge7 3ge7_795 0.99 3ge7_794 1.03 3ge7_895 0.91\n106 4dli 4dli_96 0.44 4dli_948 1.19 4dli_524 1.15\n107 2zb1 2zb1_510 0.99 2zb1_726 0.89 2zb1_875 2.11\n108 4f9w 4f9w_25 0.53 4f9w_96 0.53 4f9w_86 0.49\n109 3e92 3e92_106 0.32 3e92_482 0.91 3e92_17 0.59\n110 3e93 3e93_390 2.73 3e93_7 0.68 3e93_51 0.34\n111 4owm 4owm_362 0.56 4owm_232 0.61 4owm_135 2.35\n112 3twp 3twp_510 0.46 3twp_362 2.42 3twp_608 1.94\n113 3r88 3r88_628 4.18 3r88_533 0.98 3r88_632 1.17\n114 4gkm 4gkm_375 0.56 4gkm_301 2.32 4gkm_111 0.46\n115 3qqs 3qqs_35 0.61 3qqs_105 0.81 3qqs_511 1.32\n116 3gv9 3gv9_30 0.64 3gv9_7 0.59 3gv9_59 0.59\n117 3gr2 3gr2_973 1.50 3gr2_337 1.94 3gr2_872 2.26\n118 4kz6 4kz6_315 0.54 4kz6_723 1.76 4kz6_308 0.28\n119 4jxs 4jxs_334 1.00 4jxs_306 0.81 4jxs_147 0.77\n120 2r9w 2r9w_460 3.92 2r9w_910 0.78 2r9w_927 0.68\n121 2hb1 2hb1_167 0.53 2hb1_313 0.32 2hb1_981 0.79\n122 1bzc 1bzc_225 1.01 1bzc_375 0.69 1bzc_265 0.70\n123 2qbr 2qbr_385 0.80 2qbr_301 1.10 2qbr_282 0.91\n124 2qbq 2qbq_235 0.92 2qbq_276 0.55 2qbq_752 0.38\n125 2qbp 2qbp_272 0.59 2qbp_288 0.77 2qbp_259 0.84\n126 1q8t 1q8t_706 1.15 1q8t_879 0.79 1q8t_60 0.92\n127 1ydr 1ydr_801 1.00 1ydr_701 0.98 1ydr_80 0.79\n128 1q8u 1q8u_796 0.54 1q8u_902 0.69 1q8u_901 0.63\n129 1ydt 1ydt_817 1.01 1ydt_251 0.54 1ydt_283 0.93\n130 3ag9 3ag9_891 2.82 3ag9_712 3.32 3ag9_850 2.93\n131 3fcq 3fcq_107 1.83 3fcq_365 0.79 3fcq_135 3.09\n132 1z9g 1z9g_849 0.89 1z9g_789 0.75 1z9g_790 0.64\n133 1qf1 1qf1_198 0.99 1qf1_814 0.64 1qf1_397 0.95\n134 5tmn 5tmn_950 0.93 5tmn_717 1.71 5tmn_996 1.96\n135 4tmn 4tmn_746 2.14 4tmn_710 1.15 4tmn_209 1.03\n136 4ddk 4ddk_568 3.45 4ddk_632 3.88 4ddk_496 4.33\n137 4ddh 4ddh_462 3.71 4ddh_882 3.96 4ddh_427 1.25\n138 3ivg 3ivg_209 0.97 3ivg_250 0.82 3ivg_252 0.80\n139 3coz 3coz_7 3.03 3coz_401 3.19 3coz_561 4.61\n140 3coy 3coy_258 2.90 3coy_695 8.03 3coy_291 2.65\n141 3pxf 3pxf_539 1.98 3pxf_631 1.93 3pxf_775 1.61\n142 4eor 4eor_701 0.53 4eor_121 0.52 4eor_850 0.62\n143 2xnb 2xnb_770 1.55 2xnb_291 0.89 2xnb_751 0.63\n144 1pxn 1pxn_96 0.51 1pxn_197 0.77 1pxn_86 0.83\n145 2fvd 2fvd_286 1.08 2fvd_288 0.54 2fvd_345 1.41\n146 4k77 4k77_328 0.37 4k77_167 0.22 4k77_257 0.54\n147 4e5w 4e5w_286 0.40 4e5w_247 0.23 4e5w_121 0.15\n148 4ivb 4ivb_142 0.45 4ivb_253 0.22 4ivb_875 0.84\n149 4ivd 4ivd_771 0.83 4ivd_962 1.03 4ivd_823 0.37\n150 4ivc 4ivc_232 0.28 4ivc_831 1.33 4ivc_841 0.90\n151 4f09 4f09_903 0.51 4f09_270 0.27 4f09_893 0.30\n152 4gfm 4gfm_225 0.43 4gfm_214 0.46 4gfm_913 0.44\n153 4hge 4hge_797 2.55 4hge_617 4.13 4hge_471 1.72\n154 4e6q 4e6q_120 0.39 4e6q_936 0.96 4e6q_132 0.96\n155 4jia 4jia_60 0.65 4jia_85 0.80 4jia_66 0.82\n156 2brb 2brb_302 0.71 2brb_318 0.71 2brb_383 0.62\n157 2br1 2br1_354 0.83 2br1_349 1.00 2br1_392 0.83\n158 3jvr 3jvr_580 2.06 3jvr_484 4.51 3jvr_471 5.37\n159 3jvs 3jvs_884 0.98 3jvs_904 1.30 3jvs_897 0.84\n160 1nvq 1nvq_927 0.40 1nvq_710 0.21 1nvq_871 0.85\n161 3acw 3acw_411 0.85 3acw_809 0.58 3acw_281 1.61\n162 4ea2 4ea2_565 4.95 4ea2_819 2.38 4ea2_798 3.64\n163 2zcr 2zcr_495 1.68 2zcr_383 1.39 2zcr_324 0.85\n164 2zy1 2zy1_175 1.13 2zy1_119 1.42 2zy1_172 0.95\n165 2zcq 2zcq_593 8.22 2zcq_168 1.98 2zcq_471 8.00\n166 1bcu 1bcu_684 0.92 1bcu_397 0.66 1bcu_852 2.22\n167 3bv9 3bv9_124 1.88 3bv9_35 2.28 3bv9_325 0.88\n168 1oyt 1oyt_711 0.40 1oyt_947 0.62 1oyt_59 0.51\n169 2zda 2zda_264 0.76 2zda_277 0.43 2zda_299 0.46\n170 3utu 3utu_237 0.90 3utu_701 1.31 3utu_374 0.45\n171 3u9q 3u9q_539 2.60 3u9q_621 1.91 3u9q_416 0.88\n172 2yfe 2yfe_784 1.90 2yfe_232 5.16 2yfe_240 1.03\n173 3fur 3fur_960 0.93 3fur_243 0.46 3fur_138 0.91\n174 3b1m 3b1m_657 7.09 3b1m_778 2.92 3b1m_215 1.33\n175 2p4y 2p4y_314 2.87 2p4y_765 2.77 2p4y_472 3.48\n176 3uo4 3uo4_388 0.96 3uo4_343 0.54 3uo4_329 0.43\n177 3up2 3up2_231 0.82 3up2_29 0.80 3up2_4 0.67\n178 3e5a 3e5a_129 0.64 3e5a_313 0.83 3e5a_398 1.00\n179 2wtv 2wtv_108 0.49 2wtv_174 0.53 2wtv_320 0.40\n180 3myg 3myg_965 2.04 3myg_333 0.91 3myg_925 1.93\n181 3kgp 3kgp_5 1.00 3kgp_31 1.00 3kgp_20 0.99\n182 1c5z 1c5z_3 0.40 1c5z_8 0.45 1c5z_452 0.77\n183 1o5b 1o5b_400 0.41 1o5b_329 0.60 1o5b_396 0.56\n184 1owh 1owh_3 0.66 1owh_391 0.26 1owh_307 0.53\n185 1sqa 1sqa_787 0.64 1sqa_776 0.65 1sqa_366 0.83\n186 4jsz 4jsz_672 2.00 4jsz_491 2.64 4jsz_815 1.73\n187 3kwa 3kwa_758 2.38 3kwa_541 1.91 3kwa_852 2.92\n188 2weg 2weg_838 0.90 2weg_335 1.54 2weg_515 1.33\n189 3ryj 3ryj_387 0.81 3ryj_229 0.40 3ryj_395 0.74\n190 3dd0 3dd0_645 0.76 3dd0_479 0.92 3dd0_570 1.32\n191 2xdl 2xdl_549 5.58 2xdl_559 5.12 2xdl_495 5.33\n192 3b27 3b27_307 0.24 3b27_106 0.64 3b27_366 0.38\n193 1yc1 1yc1_246 0.96 1yc1_214 1.24 1yc1_38 0.59\n194 3rlr 3rlr_365 0.54 3rlr_197 0.43 3rlr_397 1.07\n195 2yki 2yki_893 0.94 2yki_830 0.98 2yki_841 1.13\n196 1z95 1z95_313 0.57 1z95_337 0.51 1z95_303 0.38\n197 3b68 3b68_304 0.87 3b68_475 4.89 3b68_291 0.90\n198 3b5r 3b5r_443 4.99 3b5r_575 5.00 3b5r_557 1.73\n199 3b65 3b65_533 3.17 3b65_639 3.80 3b65_542 3.38\n200 3g0w 3g0w_874 1.83 3g0w_413 0.93 3g0w_196 0.33\n201 4u4s 4u4s_927 0.73 4u4s_787 0.72 4u4s_71 0.37\n202 1p1q 1p1q_394 0.86 1p1q_357 0.60 1p1q_121 0.71\n203 1syi 1syi_234 0.38 1syi_411 0.89 1syi_259 0.63\n204 1p1n 1p1n_216 1.13 1p1n_825 0.77 1p1n_333 0.64\n205 2al5 2al5_436 0.76 2al5_339 0.41 2al5_323 0.23\n206 3g2z 3g2z_132 2.47 3g2z_1008 1.26 3g2z_1011 0.97\n207 3g31 3g31_596 1.96 3g31_781 2.03 3g31_786 2.00\n208 4de2 4de2_567 2.06 4de2_108 0.72 4de2_333 0.43\n209 4de3 4de3_358 0.53 4de3_322 0.54 4de3_350 0.97\n210 4de1 4de1_190 0.24 4de1_366 0.56 4de1_195 0.77\n211 1vso 1vso_115 0.67 1vso_198 0.58 1vso_301 0.60\n212 4dld 4dld_211 0.34 4dld_410 0.80 4dld_207 0.53\n213 3gbb 3gbb_616 4.30 3gbb_783 4.11 3gbb_796 4.04\n214 3fv2 3fv2_177 0.59 3fv2_302 0.36 3fv2_298 0.33\n215 3fv1 3fv1_436 1.51 3fv1_491 2.03 3fv1_407 1.52\n216 4mgd 4mgd_24 0.43 4mgd_96 0.52 4mgd_425 0.98\n217 2qe4 2qe4_629 1.55 2qe4_689 2.03 2qe4_693 1.73\n218 1qkt 1qkt_766 4.54 1qkt_776 2.15 1qkt_86 0.47\n219 2pog 2pog_552 1.52 2pog_853 1.20 2pog_876 0.85\n220 2p15 2p15_550 3.78 2p15_331 0.27 2p15_262 0.40\n221 2y5h 2y5h_284 0.82 2y5h_364 0.82 2y5h_703 0.82\n222 1lpg 1lpg_244 0.75 1lpg_266 1.02 1lpg_254 0.74\n223 2xbv 2xbv_317 0.69 2xbv_392 1.22 2xbv_267 0.74\n224 1z6e 1z6e_160 0.96 1z6e_350 0.85 1z6e_31 0.84\n225 1mq6 1mq6_416 1.99 1mq6_750 1.80 1mq6_266 2.06\n226 1nc3 1nc3_524 5.73 1nc3_622 4.76 1nc3_665 5.75\n227 1nc1 1nc1_6 0.51 1nc1_739 0.59 1nc1_18 0.58\n228 1y6r 1y6r_809 0.67 1y6r_947 0.54 1y6r_232 0.46\n229 4f2w 4f2w_142 0.57 4f2w_105 0.60 4f2w_907 0.44\n230 4f3c 4f3c_744 0.73 4f3c_251 0.78 4f3c_755 0.32\n231 1uto 1uto_428 0.71 1uto_834 0.67 1uto_203 1.76\n232 4abg 4abg_824 0.96 4abg_149 0.93 4abg_814 1.00\n233 3gy4 3gy4_184 0.34 3gy4_39 0.50 3gy4_14 0.64\n234 1k1i 1k1i_896 1.65 1k1i_79 1.99 1k1i_71 1.97\n235 1o3f 1o3f_372 0.49 1o3f_752 0.66 1o3f_910 0.58\n236 2yge 2yge_35 0.83 2yge_198 1.01 2yge_74 0.68\n237 2fxs 2fxs_927 0.79 2fxs_905 1.62 2fxs_953 0.54\n238 2iwx 2iwx_394 0.36 2iwx_351 0.33 2iwx_366 0.54\n239 2wer 2wer_888 0.72 2wer_73 0.27 2wer_390 0.41\n240 2vw5 2vw5_227 0.60 2vw5_381 0.43 2vw5_249 0.28\n241 4kzq 4kzq_14 0.45 4kzq_5 0.66 4kzq_133 0.74\n242 4kzu 4kzu_256 0.53 4kzu_206 0.45 4kzu_5 0.88\n243 4j21 4j21_50 0.34 4j21_430 0.88 4j21_119 1.35\n244 4j3l 4j3l_761 0.60 4j3l_858 0.90 4j3l_733 0.63\n245 3kr8 3kr8_884 0.56 3kr8_894 0.62 3kr8_785 0.68\n246 2ymd 2ymd_484 1.53 2ymd_587 1.52 2ymd_434 4.18\n247 2wnc 2wnc_514 1.65 2wnc_587 3.03 2wnc_532 1.79\n248 2xys 2xys_499 1.73 2xys_443 2.02 2xys_398 0.44\n249 2wn9 2wn9_11 4.21 2wn9_448 2.49 2wn9_474 3.64\n250 2x00 2x00_817 1.42 2x00_705 1.23 2x00_464 1.72\n251 3ozt 3ozt_202 0.52 3ozt_702 0.78 3ozt_70 0.26\n252 3ozs 3ozs_255 0.69 3ozs_201 0.79 3ozs_224 1.24\n253 3oe5 3oe5_236 0.42 3oe5_203 0.70 3oe5_266 0.67\n254 3oe4 3oe4_203 0.47 3oe4_292 0.34 3oe4_328 0.42\n255 3nw9 3nw9_210 0.81 3nw9_945 0.53 3nw9_975 1.01\n256 3ao4 3ao4_165 0.61 3ao4_195 0.68 3ao4_456 0.80\n257 3zt2 3zt2_5 0.39 3zt2_8 0.49 3zt2_323 0.82\n258 3zsx 3zsx_293 1.23 3zsx_955 1.91 3zsx_961 1.78\n259 4cig 4cig_809 1.14 4cig_784 2.57 4cig_787 1.79\n260 3zso 3zso_923 2.49 3zso_799 1.59 3zso_902 1.59\n261 3n7a 3n7a_552 1.06 3n7a_495 1.11 3n7a_993 1.36\n262 4ciw 4ciw_482 1.12 4ciw_451 0.78 4ciw_267 0.46\n263 3n86 3n86_531 1.45 3n86_870 0.87 3n86_861 0.90\n264 3n76 3n76_586 2.15 3n76_758 1.26 3n76_578 1.34\n265 2xb8 2xb8_35 0.74 2xb8_133 0.62 2xb8_28 0.66\n266 4bkt 4bkt_17 0.99 4bkt_369 1.00 4bkt_541 1.90\n267 4w9c 4w9c_719 0.92 4w9c_925 1.15 4w9c_379 0.53\n268 4w9l 4w9l_368 0.71 4w9l_204 0.96 4w9l_264 0.88\n269 4w9i 4w9i_204 0.42 4w9i_795 0.74 4w9i_221 0.45\n270 4w9h 4w9h_368 0.40 4w9h_307 0.38 4w9h_765 0.96\n271 3nq9 3nq9_700 2.59 3nq9_470 1.37 3nq9_473 1.47\n272 3ueu 3ueu_52 0.87 3ueu_438 1.14 3ueu_425 1.51\n273 3uev 3uev_684 6.20 3uev_655 4.50 3uev_700 1.00\n274 3uew 3uew_613 1.76 3uew_624 1.57 3uew_282 1.09\n275 3uex 3uex_588 6.75 3uex_640 4.72 3uex_227 0.73\n276 3lka 3lka_495 1.55 3lka_443 2.05 3lka_498 4.67\n277 3ehy 3ehy_685 1.05 3ehy_706 0.66 3ehy_977 0.73\n278 3tsk 3tsk_713 3.96 3tsk_423 3.84 3tsk_263 3.98\n279 3nx7 3nx7_36 0.73 3nx7_854 1.92 3nx7_778 0.99\n280 4gr0 4gr0_326 0.91 4gr0_206 0.97 4gr0_279 0.95\n281 3dxg 3dxg_465 4.27 3dxg_464 4.51 3dxg_450 3.06\n282 3d6q 3d6q_23 2.26 3d6q_50 2.46 3d6q_276 2.75\n283 1w4o 1w4o_367 0.69 1w4o_376 0.67 1w4o_313 0.81\n284 1o0h 1o0h_603 2.49 1o0h_564 2.05 1o0h_353 0.92\n285 1u1b 1u1b_919 2.04 1u1b_2 2.80 1u1b_929 1.97\n\nSummary of the docking power: ========================================\nAmong the top1 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 225, success rate = 78.9%\nAmong the top2 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 249, success rate = 87.4%\nAmong the top3 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 262, success rate = 91.9%\nSpearman correlation coefficient in rmsd range [0-2]: 0.503\nSpearman correlation coefficient in rmsd range [0-3]: 0.606\nSpearman correlation coefficient in rmsd range [0-4]: 0.664\nSpearman correlation coefficient in rmsd range [0-5]: 0.690\nSpearman correlation coefficient in rmsd range [0-6]: 0.710\nSpearman correlation coefficient in rmsd range [0-7]: 0.718\nSpearman correlation coefficient in rmsd range [0-8]: 0.724\nSpearman correlation coefficient in rmsd range [0-9]: 0.727\nSpearman correlation coefficient in rmsd range [0-10]: 0.735\n======================================================================\n\n\nTemplate command for running the bootstrap in R program===============\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n========================================================================\n\n" }, { "path": "Validation_CASF2016/DockingPower_DeepDock_3A/DockingPower_DeepDock_3A.out", "content": " code Rank1 RMSD1 Rank2 RMSD2 Rank3 RMSD3\n1 4llx 4llx_276 0.96 4llx_208 1.53 4llx_213 0.45\n2 5c28 5c28_382 2.10 5c28_456 0.96 5c28_47 0.56\n3 3uuo 3uuo_709 0.60 3uuo_187 0.77 3uuo_711 0.55\n4 3ui7 3ui7_227 0.53 3ui7_282 0.50 3ui7_208 0.63\n5 5c2h 5c2h_259 0.51 5c2h_240 0.46 5c2h_244 0.59\n6 2v00 2v00_79 0.74 2v00_619 1.00 2v00_516 1.58\n7 3wz8 3wz8_371 0.83 3wz8_380 1.12 3wz8_391 0.96\n8 3pww 3pww_256 0.88 3pww_888 1.50 3pww_889 1.50\n9 3prs 3prs_213 2.45 3prs_711 1.08 3prs_706 1.74\n10 3uri 3uri_1001 0.91 3uri_1003 0.91 3uri_1002 0.93\n11 4m0z 4m0z_686 1.31 4m0z_41 0.68 4m0z_516 0.59\n12 4m0y 4m0y_920 1.74 4m0y_814 1.81 4m0y_740 2.41\n13 3qgy 3qgy_318 0.90 3qgy_306 1.03 3qgy_374 1.12\n14 4qd6 4qd6_825 2.55 4qd6_978 0.70 4qd6_709 2.79\n15 4rfm 4rfm_9 0.37 4rfm_85 0.43 4rfm_327 0.80\n16 4cr9 4cr9_423 1.85 4cr9_358 0.95 4cr9_411 1.77\n17 4cra 4cra_258 0.87 4cra_283 0.60 4cra_292 1.87\n18 4x6p 4x6p_312 0.67 4x6p_204 0.65 4x6p_254 0.57\n19 4crc 4crc_291 0.85 4crc_215 0.79 4crc_217 0.88\n20 4ty7 4ty7_224 0.81 4ty7_254 0.79 4ty7_808 0.91\n21 5aba 5aba_966 2.47 5aba_712 1.21 5aba_786 1.79\n22 5a7b 5a7b_178 5.86 5a7b_553 5.42 5a7b_698 4.30\n23 4agn 4agn_228 1.07 4agn_251 0.99 4agn_603 1.71\n24 4agp 4agp_261 1.37 4agp_350 0.97 4agp_288 2.09\n25 4agq 4agq_151 1.96 4agq_529 1.95 4agq_339 0.95\n26 3bgz 3bgz_97 0.23 3bgz_81 0.44 3bgz_621 1.05\n27 3jya 3jya_238 0.60 3jya_315 0.83 3jya_20 1.00\n28 2c3i 2c3i_650 1.80 2c3i_729 0.68 2c3i_387 0.98\n29 4k18 4k18_254 0.36 4k18_225 0.31 4k18_85 0.53\n30 5dwr 5dwr_382 0.46 5dwr_289 0.54 5dwr_157 0.82\n31 3mss 3mss_9 2.61 3mss_451 2.58 3mss_18 1.98\n32 3k5v 3k5v_386 0.64 3k5v_367 0.82 3k5v_664 1.01\n33 3pyy 3pyy_296 0.31 3pyy_812 1.63 3pyy_92 0.44\n34 2v7a 2v7a_859 0.95 2v7a_388 0.50 2v7a_983 1.29\n35 4twp 4twp_379 0.76 4twp_352 0.95 4twp_358 0.80\n36 3wtj 3wtj_544 1.19 3wtj_648 1.13 3wtj_4 6.27\n37 3zdg 3zdg_896 1.66 3zdg_842 0.86 3zdg_300 1.85\n38 3u8k 3u8k_412 2.67 3u8k_494 3.05 3u8k_224 0.66\n39 4qac 4qac_372 0.70 4qac_115 0.90 4qac_456 1.26\n40 3u8n 3u8n_928 0.84 3u8n_816 0.42 3u8n_894 1.23\n41 1a30 1a30_671 2.01 1a30_130 2.09 1a30_170 2.97\n42 2qnq 2qnq_207 0.98 2qnq_314 0.74 2qnq_274 1.24\n43 1g2k 1g2k_247 0.64 1g2k_74 0.60 1g2k_328 0.54\n44 1eby 1eby_211 0.97 1eby_295 0.87 1eby_361 0.86\n45 3o9i 3o9i_227 0.79 3o9i_38 0.68 3o9i_256 0.58\n46 4lzs 4lzs_1 0.75 4lzs_70 0.69 4lzs_905 0.99\n47 3u5j 3u5j_65 0.41 3u5j_294 0.65 3u5j_233 0.56\n48 4wiv 4wiv_486 3.84 4wiv_679 3.31 4wiv_475 4.61\n49 4ogj 4ogj_999 1.36 4ogj_993 1.16 4ogj_757 0.80\n50 3p5o 3p5o_108 0.92 3p5o_759 0.69 3p5o_93 0.92\n51 1ps3 1ps3_943 0.44 1ps3_161 0.28 1ps3_968 0.66\n52 3dx1 3dx1_989 0.74 3dx1_802 0.51 3dx1_25 0.33\n53 3d4z 3d4z_340 0.47 3d4z_403 0.92 3d4z_376 0.31\n54 3dx2 3dx2_836 0.99 3dx2_402 0.87 3dx2_380 0.41\n55 3ejr 3ejr_360 0.41 3ejr_459 0.89 3ejr_964 0.65\n56 3l7b 3l7b_163 0.69 3l7b_66 0.82 3l7b_93 0.90\n57 4eky 4eky_38 0.63 4eky_899 0.67 4eky_725 0.96\n58 3g2n 3g2n_197 0.65 3g2n_49 0.48 3g2n_35 0.79\n59 3syr 3syr_862 0.78 3syr_408 0.85 3syr_47 0.36\n60 3ebp 3ebp_476 3.98 3ebp_691 2.91 3ebp_251 2.88\n61 2w66 2w66_702 0.36 2w66_809 0.81 2w66_190 0.53\n62 2w4x 2w4x_306 1.13 2w4x_211 0.74 2w4x_289 1.03\n63 2wca 2wca_20 2.86 2wca_201 2.03 2wca_144 1.94\n64 2xj7 2xj7_812 0.40 2xj7_796 0.36 2xj7_914 0.27\n65 2vvn 2vvn_802 0.44 2vvn_780 0.83 2vvn_205 0.61\n66 3aru 3aru_205 1.48 3aru_314 0.79 3aru_930 1.67\n67 3arv 3arv_324 0.85 3arv_345 0.70 3arv_359 0.91\n68 3ary 3ary_222 6.00 3ary_561 4.87 3ary_687 5.72\n69 3arq 3arq_742 2.35 3arq_422 5.21 3arq_449 5.44\n70 3arp 3arp_394 2.82 3arp_37 0.97 3arp_17 1.39\n71 4ih5 4ih5_227 3.85 4ih5_219 3.92 4ih5_5 4.06\n72 4ih7 4ih7_219 0.54 4ih7_241 0.44 4ih7_529 2.06\n73 3cj4 3cj4_166 0.50 3cj4_164 0.70 3cj4_338 0.64\n74 4eo8 4eo8_12 0.39 4eo8_318 0.54 4eo8_148 0.73\n75 3gnw 3gnw_294 0.71 3gnw_712 0.63 3gnw_718 0.96\n76 1gpk 1gpk_407 0.79 1gpk_463 1.44 1gpk_328 0.52\n77 1gpn 1gpn_299 0.35 1gpn_252 0.37 1gpn_451 1.40\n78 1h23 1h23_728 1.77 1h23_913 2.33 1h23_818 2.65\n79 1h22 1h22_393 2.01 1h22_852 1.55 1h22_197 1.28\n80 1e66 1e66_412 1.29 1e66_404 0.97 1e66_247 0.71\n81 3f3a 3f3a_203 0.20 3f3a_57 0.37 3f3a_3 0.60\n82 3f3c 3f3c_401 0.77 3f3c_256 0.53 3f3c_326 0.45\n83 4mme 4mme_71 0.55 4mme_133 0.65 4mme_16 0.59\n84 3f3d 3f3d_287 1.55 3f3d_255 0.86 3f3d_363 0.40\n85 3f3e 3f3e_174 0.83 3f3e_451 1.15 3f3e_197 0.22\n86 2wbg 2wbg_331 0.93 2wbg_75 0.33 2wbg_270 0.74\n87 2cbv 2cbv_945 0.99 2cbv_291 0.47 2cbv_719 0.38\n88 2j78 2j78_311 0.37 2j78_31 0.74 2j78_406 0.92\n89 2j7h 2j7h_721 0.75 2j7h_48 0.17 2j7h_720 0.45\n90 2cet 2cet_734 0.98 2cet_359 0.88 2cet_313 0.85\n91 3udh 3udh_30 0.50 3udh_347 0.32 3udh_121 0.51\n92 3rsx 3rsx_249 0.76 3rsx_131 0.41 3rsx_266 0.77\n93 4djv 4djv_399 0.64 4djv_349 0.40 4djv_212 0.43\n94 2vkm 2vkm_237 1.46 2vkm_296 1.05 2vkm_890 0.71\n95 4gid 4gid_201 0.38 4gid_197 0.77 4gid_269 0.94\n96 4jfs 4jfs_818 0.92 4jfs_139 0.69 4jfs_899 0.85\n97 4j28 4j28_303 1.00 4j28_154 0.98 4j28_794 0.34\n98 2wvt 2wvt_415 0.95 2wvt_217 0.34 2wvt_859 0.79\n99 2xii 2xii_253 1.25 2xii_293 0.41 2xii_237 0.53\n100 4pcs 4pcs_165 0.90 4pcs_812 0.56 4pcs_164 0.54\n101 3rr4 3rr4_369 0.22 3rr4_401 0.81 3rr4_85 0.27\n102 1s38 1s38_305 0.47 1s38_75 0.30 1s38_117 0.19\n103 1r5y 1r5y_167 0.16 1r5y_341 0.31 1r5y_270 0.34\n104 3gc5 3gc5_402 0.72 3gc5_464 0.92 3gc5_426 0.97\n105 3ge7 3ge7_140 0.61 3ge7_262 0.89 3ge7_24 0.78\n106 4dli 4dli_96 0.44 4dli_42 0.41 4dli_154 0.56\n107 2zb1 2zb1_206 0.78 2zb1_55 0.41 2zb1_203 0.78\n108 4f9w 4f9w_96 0.53 4f9w_36 0.30 4f9w_25 0.53\n109 3e92 3e92_940 0.95 3e92_907 0.39 3e92_332 0.35\n110 3e93 3e93_240 0.34 3e93_141 0.46 3e93_7 0.68\n111 4owm 4owm_232 0.61 4owm_230 0.75 4owm_629 0.83\n112 3twp 3twp_381 2.79 3twp_608 1.94 3twp_198 2.60\n113 3r88 3r88_513 1.14 3r88_802 0.93 3r88_931 2.07\n114 4gkm 4gkm_348 0.68 4gkm_180 0.50 4gkm_111 0.46\n115 3qqs 3qqs_100 0.48 3qqs_35 0.61 3qqs_715 0.76\n116 3gv9 3gv9_30 0.64 3gv9_370 0.84 3gv9_6 0.60\n117 3gr2 3gr2_337 1.94 3gr2_474 1.22 3gr2_410 1.30\n118 4kz6 4kz6_143 0.71 4kz6_160 0.69 4kz6_112 0.88\n119 4jxs 4jxs_218 0.97 4jxs_153 0.47 4jxs_306 0.81\n120 2r9w 2r9w_710 0.95 2r9w_950 0.96 2r9w_774 1.10\n121 2hb1 2hb1_148 0.81 2hb1_167 0.53 2hb1_175 0.41\n122 1bzc 1bzc_375 0.69 1bzc_225 1.01 1bzc_323 0.74\n123 2qbr 2qbr_385 0.80 2qbr_61 0.97 2qbr_201 0.65\n124 2qbq 2qbq_235 0.92 2qbq_97 0.91 2qbq_276 0.55\n125 2qbp 2qbp_259 0.84 2qbp_29 0.90 2qbp_272 0.59\n126 1q8t 1q8t_879 0.79 1q8t_262 0.87 1q8t_60 0.92\n127 1ydr 1ydr_63 0.92 1ydr_46 0.88 1ydr_369 0.95\n128 1q8u 1q8u_796 0.54 1q8u_902 0.69 1q8u_909 0.70\n129 1ydt 1ydt_386 0.73 1ydt_817 1.01 1ydt_251 0.54\n130 3ag9 3ag9_934 2.78 3ag9_28 3.10 3ag9_1010 2.00\n131 3fcq 3fcq_493 3.31 3fcq_135 3.09 3fcq_169 3.40\n132 1z9g 1z9g_229 1.89 1z9g_219 2.15 1z9g_722 0.57\n133 1qf1 1qf1_895 0.44 1qf1_198 0.99 1qf1_727 0.56\n134 5tmn 5tmn_219 1.89 5tmn_717 1.71 5tmn_858 1.71\n135 4tmn 4tmn_260 1.49 4tmn_278 0.92 4tmn_248 1.09\n136 4ddk 4ddk_467 4.28 4ddk_445 4.35 4ddk_345 0.46\n137 4ddh 4ddh_734 0.95 4ddh_1 0.45 4ddh_911 0.30\n138 3ivg 3ivg_252 0.80 3ivg_209 0.97 3ivg_250 0.82\n139 3coz 3coz_214 1.91 3coz_393 0.59 3coz_388 0.83\n140 3coy 3coy_258 2.90 3coy_66 1.77 3coy_291 2.65\n141 3pxf 3pxf_539 1.98 3pxf_767 2.01 3pxf_761 1.37\n142 4eor 4eor_701 0.53 4eor_257 0.79 4eor_121 0.52\n143 2xnb 2xnb_911 1.96 2xnb_291 0.89 2xnb_841 1.28\n144 1pxn 1pxn_86 0.83 1pxn_96 0.51 1pxn_197 0.77\n145 2fvd 2fvd_809 2.00 2fvd_275 0.92 2fvd_34 0.83\n146 4k77 4k77_328 0.37 4k77_167 0.22 4k77_257 0.54\n147 4e5w 4e5w_121 0.15 4e5w_779 0.86 4e5w_883 0.39\n148 4ivb 4ivb_85 0.23 4ivb_142 0.45 4ivb_253 0.22\n149 4ivd 4ivd_771 0.83 4ivd_231 0.77 4ivd_260 0.77\n150 4ivc 4ivc_841 0.90 4ivc_740 0.76 4ivc_232 0.28\n151 4f09 4f09_903 0.51 4f09_893 0.30 4f09_270 0.27\n152 4gfm 4gfm_225 0.43 4gfm_214 0.46 4gfm_249 0.27\n153 4hge 4hge_602 3.95 4hge_617 4.13 4hge_797 2.55\n154 4e6q 4e6q_936 0.96 4e6q_120 0.39 4e6q_249 0.65\n155 4jia 4jia_66 0.82 4jia_60 0.65 4jia_923 0.85\n156 2brb 2brb_318 0.71 2brb_302 0.71 2brb_383 0.62\n157 2br1 2br1_349 1.00 2br1_392 0.83 2br1_315 0.70\n158 3jvr 3jvr_484 4.51 3jvr_470 4.09 3jvr_703 0.43\n159 3jvs 3jvs_884 0.98 3jvs_897 0.84 3jvs_904 1.30\n160 1nvq 1nvq_710 0.21 1nvq_927 0.40 1nvq_940 0.24\n161 3acw 3acw_281 1.61 3acw_99 0.79 3acw_411 0.85\n162 4ea2 4ea2_722 1.99 4ea2_961 2.54 4ea2_819 2.38\n163 2zcr 2zcr_37 0.35 2zcr_187 0.76 2zcr_318 0.91\n164 2zy1 2zy1_396 1.90 2zy1_113 2.40 2zy1_172 0.95\n165 2zcq 2zcq_274 3.57 2zcq_254 0.84 2zcq_259 0.55\n166 1bcu 1bcu_362 0.59 1bcu_397 0.66 1bcu_903 1.58\n167 3bv9 3bv9_345 1.52 3bv9_325 0.88 3bv9_317 1.49\n168 1oyt 1oyt_59 0.51 1oyt_64 0.53 1oyt_711 0.40\n169 2zda 2zda_170 0.93 2zda_835 0.93 2zda_264 0.76\n170 3utu 3utu_374 0.45 3utu_701 1.31 3utu_211 0.98\n171 3u9q 3u9q_133 0.93 3u9q_252 1.27 3u9q_291 0.89\n172 2yfe 2yfe_81 0.72 2yfe_53 0.73 2yfe_286 0.90\n173 3fur 3fur_323 0.53 3fur_138 0.91 3fur_153 1.00\n174 3b1m 3b1m_949 1.94 3b1m_221 0.81 3b1m_215 1.33\n175 2p4y 2p4y_275 5.23 2p4y_25 4.44 2p4y_908 5.94\n176 3uo4 3uo4_343 0.54 3uo4_388 0.96 3uo4_329 0.43\n177 3up2 3up2_29 0.80 3up2_40 0.30 3up2_231 0.82\n178 3e5a 3e5a_49 0.94 3e5a_398 1.00 3e5a_372 0.76\n179 2wtv 2wtv_320 0.40 2wtv_108 0.49 2wtv_174 0.53\n180 3myg 3myg_333 0.91 3myg_965 2.04 3myg_905 0.82\n181 3kgp 3kgp_5 1.00 3kgp_420 4.70 3kgp_31 1.00\n182 1c5z 1c5z_3 0.40 1c5z_8 0.45 1c5z_247 0.61\n183 1o5b 1o5b_400 0.41 1o5b_421 0.75 1o5b_396 0.56\n184 1owh 1owh_3 0.66 1owh_307 0.53 1owh_391 0.26\n185 1sqa 1sqa_747 0.72 1sqa_761 0.95 1sqa_787 0.64\n186 4jsz 4jsz_672 2.00 4jsz_571 1.66 4jsz_815 1.73\n187 3kwa 3kwa_810 3.44 3kwa_823 4.35 3kwa_876 3.50\n188 2weg 2weg_218 0.84 2weg_204 0.98 2weg_407 1.79\n189 3ryj 3ryj_387 0.81 3ryj_395 0.74 3ryj_229 0.40\n190 3dd0 3dd0_645 0.76 3dd0_479 0.92 3dd0_298 0.83\n191 2xdl 2xdl_615 4.84 2xdl_192 1.74 2xdl_692 2.17\n192 3b27 3b27_307 0.24 3b27_106 0.64 3b27_139 0.45\n193 1yc1 1yc1_214 1.24 1yc1_205 0.51 1yc1_220 1.05\n194 3rlr 3rlr_197 0.43 3rlr_365 0.54 3rlr_347 0.42\n195 2yki 2yki_701 0.49 2yki_57 0.81 2yki_239 0.64\n196 1z95 1z95_169 0.45 1z95_249 0.96 1z95_313 0.57\n197 3b68 3b68_304 0.87 3b68_126 1.00 3b68_753 0.98\n198 3b5r 3b5r_228 1.28 3b5r_443 4.99 3b5r_354 0.53\n199 3b65 3b65_488 3.29 3b65_533 3.17 3b65_288 0.62\n200 3g0w 3g0w_196 0.33 3g0w_791 0.43 3g0w_27 0.45\n201 4u4s 4u4s_787 0.72 4u4s_430 0.90 4u4s_71 0.37\n202 1p1q 1p1q_394 0.86 1p1q_121 0.71 1p1q_357 0.60\n203 1syi 1syi_234 0.38 1syi_353 0.21 1syi_433 0.91\n204 1p1n 1p1n_712 0.93 1p1n_73 0.61 1p1n_216 1.13\n205 2al5 2al5_436 0.76 2al5_323 0.23 2al5_243 0.46\n206 3g2z 3g2z_1008 1.26 3g2z_1012 0.93 3g2z_631 3.16\n207 3g31 3g31_362 0.98 3g31_109 0.92 3g31_442 3.06\n208 4de2 4de2_385 0.74 4de2_290 0.74 4de2_371 0.85\n209 4de3 4de3_260 0.98 4de3_254 0.62 4de3_371 0.56\n210 4de1 4de1_277 0.83 4de1_237 0.77 4de1_215 0.47\n211 1vso 1vso_243 0.30 1vso_254 0.99 1vso_273 0.96\n212 4dld 4dld_285 0.87 4dld_826 1.36 4dld_262 1.00\n213 3gbb 3gbb_693 4.02 3gbb_678 5.52 3gbb_728 4.01\n214 3fv2 3fv2_177 0.59 3fv2_42 0.66 3fv2_302 0.36\n215 3fv1 3fv1_407 1.52 3fv1_436 1.51 3fv1_333 0.31\n216 4mgd 4mgd_272 0.37 4mgd_829 0.98 4mgd_24 0.43\n217 2qe4 2qe4_249 0.44 2qe4_83 0.54 2qe4_79 2.15\n218 1qkt 1qkt_718 0.58 1qkt_834 0.64 1qkt_150 0.92\n219 2pog 2pog_540 0.96 2pog_967 0.44 2pog_457 1.05\n220 2p15 2p15_331 0.27 2p15_591 3.75 2p15_87 0.41\n221 2y5h 2y5h_284 0.82 2y5h_703 0.82 2y5h_710 0.73\n222 1lpg 1lpg_254 0.74 1lpg_244 0.75 1lpg_286 0.66\n223 2xbv 2xbv_317 0.69 2xbv_378 0.90 2xbv_267 0.74\n224 1z6e 1z6e_371 0.99 1z6e_350 0.85 1z6e_31 0.84\n225 1mq6 1mq6_129 0.70 1mq6_750 1.80 1mq6_416 1.99\n226 1nc3 1nc3_471 5.45 1nc3_524 5.73 1nc3_665 5.75\n227 1nc1 1nc1_6 0.51 1nc1_865 0.57 1nc1_763 0.93\n228 1y6r 1y6r_809 0.67 1y6r_925 0.88 1y6r_947 0.54\n229 4f2w 4f2w_264 0.60 4f2w_105 0.60 4f2w_825 0.90\n230 4f3c 4f3c_755 0.32 4f3c_744 0.73 4f3c_362 0.53\n231 1uto 1uto_972 0.70 1uto_203 1.76 1uto_834 0.67\n232 4abg 4abg_149 0.93 4abg_800 0.55 4abg_835 0.91\n233 3gy4 3gy4_39 0.50 3gy4_14 0.64 3gy4_184 0.34\n234 1k1i 1k1i_896 1.65 1k1i_71 1.97 1k1i_79 1.99\n235 1o3f 1o3f_372 0.49 1o3f_931 0.83 1o3f_538 0.75\n236 2yge 2yge_74 0.68 2yge_198 1.01 2yge_267 0.62\n237 2fxs 2fxs_941 0.65 2fxs_953 0.54 2fxs_67 0.63\n238 2iwx 2iwx_366 0.54 2iwx_394 0.36 2iwx_351 0.33\n239 2wer 2wer_888 0.72 2wer_73 0.27 2wer_390 0.41\n240 2vw5 2vw5_115 0.84 2vw5_381 0.43 2vw5_249 0.28\n241 4kzq 4kzq_311 0.53 4kzq_5 0.66 4kzq_133 0.74\n242 4kzu 4kzu_601 0.83 4kzu_286 0.64 4kzu_112 0.50\n243 4j21 4j21_535 5.79 4j21_18 0.91 4j21_428 5.93\n244 4j3l 4j3l_561 2.00 4j3l_348 1.67 4j3l_115 2.17\n245 3kr8 3kr8_896 0.93 3kr8_894 0.62 3kr8_787 1.17\n246 2ymd 2ymd_496 4.49 2ymd_489 2.72 2ymd_626 2.66\n247 2wnc 2wnc_891 0.32 2wnc_370 0.91 2wnc_796 0.56\n248 2xys 2xys_398 0.44 2xys_420 0.96 2xys_782 0.42\n249 2wn9 2wn9_329 3.65 2wn9_232 0.52 2wn9_172 0.41\n250 2x00 2x00_234 0.58 2x00_611 2.59 2x00_174 0.76\n251 3ozt 3ozt_70 0.26 3ozt_202 0.52 3ozt_267 0.96\n252 3ozs 3ozs_201 0.79 3ozs_307 0.55 3ozs_255 0.69\n253 3oe5 3oe5_236 0.42 3oe5_356 0.51 3oe5_329 0.85\n254 3oe4 3oe4_292 0.34 3oe4_328 0.42 3oe4_237 0.83\n255 3nw9 3nw9_210 0.81 3nw9_945 0.53 3nw9_70 0.54\n256 3ao4 3ao4_165 0.61 3ao4_195 0.68 3ao4_456 0.80\n257 3zt2 3zt2_195 0.68 3zt2_323 0.82 3zt2_250 0.35\n258 3zsx 3zsx_955 1.91 3zsx_293 1.23 3zsx_961 1.78\n259 4cig 4cig_809 1.14 4cig_784 2.57 4cig_298 3.84\n260 3zso 3zso_898 2.08 3zso_899 1.99 3zso_866 3.71\n261 3n7a 3n7a_831 0.47 3n7a_955 0.21 3n7a_36 0.49\n262 4ciw 4ciw_267 0.46 4ciw_270 0.64 4ciw_482 1.12\n263 3n86 3n86_870 0.87 3n86_859 0.31 3n86_54 0.25\n264 3n76 3n76_760 0.78 3n76_758 1.26 3n76_737 1.01\n265 2xb8 2xb8_133 0.62 2xb8_35 0.74 2xb8_28 0.66\n266 4bkt 4bkt_32 0.95 4bkt_283 0.56 4bkt_713 0.65\n267 4w9c 4w9c_326 1.12 4w9c_719 0.92 4w9c_720 0.95\n268 4w9l 4w9l_35 0.79 4w9l_264 0.88 4w9l_204 0.96\n269 4w9i 4w9i_204 0.42 4w9i_110 0.89 4w9i_795 0.74\n270 4w9h 4w9h_368 0.40 4w9h_307 0.38 4w9h_326 0.58\n271 3nq9 3nq9_473 1.47 3nq9_35 1.54 3nq9_507 1.49\n272 3ueu 3ueu_280 5.03 3ueu_8 1.17 3ueu_36 0.93\n273 3uev 3uev_194 1.98 3uev_178 1.73 3uev_290 1.47\n274 3uew 3uew_65 1.64 3uew_161 2.04 3uew_255 1.34\n275 3uex 3uex_90 1.27 3uex_227 0.73 3uex_56 0.94\n276 3lka 3lka_685 1.70 3lka_556 0.94 3lka_431 0.94\n277 3ehy 3ehy_376 0.97 3ehy_232 0.82 3ehy_395 0.82\n278 3tsk 3tsk_337 4.22 3tsk_713 3.96 3tsk_358 1.75\n279 3nx7 3nx7_74 0.60 3nx7_36 0.73 3nx7_239 0.70\n280 4gr0 4gr0_268 0.98 4gr0_326 0.91 4gr0_281 0.94\n281 3dxg 3dxg_1002 1.70 3dxg_458 3.95 3dxg_310 3.88\n282 3d6q 3d6q_312 1.87 3d6q_320 1.98 3d6q_50 2.46\n283 1w4o 1w4o_246 0.91 1w4o_313 0.81 1w4o_521 1.39\n284 1o0h 1o0h_272 0.77 1o0h_603 2.49 1o0h_821 0.67\n285 1u1b 1u1b_26 2.85 1u1b_214 2.42 1u1b_826 2.53\n\nSummary of the docking power: ========================================\nAmong the top1 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 248, success rate = 87.0%\nAmong the top2 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 262, success rate = 91.9%\nAmong the top3 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 270, success rate = 94.7%\nSpearman correlation coefficient in rmsd range [0-2]: 0.610\nSpearman correlation coefficient in rmsd range [0-3]: 0.715\nSpearman correlation coefficient in rmsd range [0-4]: 0.774\nSpearman correlation coefficient in rmsd range [0-5]: 0.798\nSpearman correlation coefficient in rmsd range [0-6]: 0.816\nSpearman correlation coefficient in rmsd range [0-7]: 0.824\nSpearman correlation coefficient in rmsd range [0-8]: 0.827\nSpearman correlation coefficient in rmsd range [0-9]: 0.829\nSpearman correlation coefficient in rmsd range [0-10]: 0.830\n======================================================================\n\n\nTemplate command for running the bootstrap in R program===============\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n========================================================================\n\n" }, { "path": "Validation_CASF2016/DockingPower_DeepDock_5A/DockingPower_DeepDock_5A.out", "content": " code Rank1 RMSD1 Rank2 RMSD2 Rank3 RMSD3\n1 4llx 4llx_276 0.96 4llx_208 1.53 4llx_213 0.45\n2 5c28 5c28_382 2.10 5c28_97 2.25 5c28_47 0.56\n3 3uuo 3uuo_181 0.98 3uuo_709 0.60 3uuo_187 0.77\n4 3ui7 3ui7_282 0.50 3ui7_16 0.63 3ui7_227 0.53\n5 5c2h 5c2h_247 0.94 5c2h_240 0.46 5c2h_244 0.59\n6 2v00 2v00_79 0.74 2v00_605 1.16 2v00_856 1.33\n7 3wz8 3wz8_376 0.84 3wz8_371 0.83 3wz8_484 4.24\n8 3pww 3pww_256 0.88 3pww_888 1.50 3pww_889 1.50\n9 3prs 3prs_213 2.45 3prs_781 1.94 3prs_701 1.22\n10 3uri 3uri_1000 0.94 3uri_1002 0.93 3uri_1001 0.91\n11 4m0z 4m0z_686 1.31 4m0z_41 0.68 4m0z_516 0.59\n12 4m0y 4m0y_920 1.74 4m0y_814 1.81 4m0y_952 1.65\n13 3qgy 3qgy_306 1.03 3qgy_20 1.13 3qgy_318 0.90\n14 4qd6 4qd6_978 0.70 4qd6_975 0.79 4qd6_790 0.96\n15 4rfm 4rfm_85 0.43 4rfm_113 1.01 4rfm_354 0.71\n16 4cr9 4cr9_423 1.85 4cr9_358 0.95 4cr9_411 1.77\n17 4cra 4cra_258 0.87 4cra_283 0.60 4cra_155 0.53\n18 4x6p 4x6p_312 0.67 4x6p_201 0.86 4x6p_204 0.65\n19 4crc 4crc_291 0.85 4crc_217 0.88 4crc_215 0.79\n20 4ty7 4ty7_808 0.91 4ty7_254 0.79 4ty7_106 0.56\n21 5aba 5aba_966 2.47 5aba_786 1.79 5aba_712 1.21\n22 5a7b 5a7b_302 2.91 5a7b_553 5.42 5a7b_660 4.68\n23 4agn 4agn_290 1.28 4agn_251 0.99 4agn_228 1.07\n24 4agp 4agp_350 0.97 4agp_261 1.37 4agp_612 2.14\n25 4agq 4agq_339 0.95 4agq_205 1.39 4agq_151 1.96\n26 3bgz 3bgz_621 1.05 3bgz_97 0.23 3bgz_81 0.44\n27 3jya 3jya_490 0.85 3jya_471 1.04 3jya_544 0.57\n28 2c3i 2c3i_799 0.90 2c3i_387 0.98 2c3i_729 0.68\n29 4k18 4k18_85 0.53 4k18_151 1.76 4k18_23 0.87\n30 5dwr 5dwr_289 0.54 5dwr_382 0.46 5dwr_200 0.42\n31 3mss 3mss_96 2.00 3mss_475 3.21 3mss_856 1.97\n32 3k5v 3k5v_330 1.91 3k5v_664 1.01 3k5v_386 0.64\n33 3pyy 3pyy_822 1.59 3pyy_812 1.63 3pyy_363 0.88\n34 2v7a 2v7a_859 0.95 2v7a_338 0.60 2v7a_983 1.29\n35 4twp 4twp_379 0.76 4twp_358 0.80 4twp_352 0.95\n36 3wtj 3wtj_4 6.27 3wtj_258 0.93 3wtj_222 1.05\n37 3zdg 3zdg_765 3.66 3zdg_266 1.48 3zdg_32 0.88\n38 3u8k 3u8k_448 0.91 3u8k_830 0.52 3u8k_412 2.67\n39 4qac 4qac_116 0.92 4qac_115 0.90 4qac_232 0.78\n40 3u8n 3u8n_928 0.84 3u8n_981 1.32 3u8n_869 2.66\n41 1a30 1a30_221 4.59 1a30_140 2.70 1a30_170 2.97\n42 2qnq 2qnq_207 0.98 2qnq_287 1.42 2qnq_209 0.60\n43 1g2k 1g2k_74 0.60 1g2k_52 0.75 1g2k_328 0.54\n44 1eby 1eby_295 0.87 1eby_262 1.01 1eby_299 0.81\n45 3o9i 3o9i_227 0.79 3o9i_38 0.68 3o9i_222 0.93\n46 4lzs 4lzs_70 0.69 4lzs_1 0.75 4lzs_61 0.87\n47 3u5j 3u5j_65 0.41 3u5j_24 1.02 3u5j_475 1.57\n48 4wiv 4wiv_486 3.84 4wiv_621 2.13 4wiv_742 3.83\n49 4ogj 4ogj_999 1.36 4ogj_993 1.16 4ogj_795 3.64\n50 3p5o 3p5o_818 0.83 3p5o_759 0.69 3p5o_238 0.69\n51 1ps3 1ps3_734 0.86 1ps3_161 0.28 1ps3_707 0.98\n52 3dx1 3dx1_25 0.33 3dx1_304 0.47 3dx1_382 0.79\n53 3d4z 3d4z_376 0.31 3d4z_340 0.47 3d4z_331 1.06\n54 3dx2 3dx2_820 0.37 3dx2_380 0.41 3dx2_836 0.99\n55 3ejr 3ejr_964 0.65 3ejr_360 0.41 3ejr_459 0.89\n56 3l7b 3l7b_38 0.42 3l7b_163 0.69 3l7b_9 0.40\n57 4eky 4eky_38 0.63 4eky_899 0.67 4eky_32 0.89\n58 3g2n 3g2n_49 0.48 3g2n_35 0.79 3g2n_197 0.65\n59 3syr 3syr_862 0.78 3syr_477 1.35 3syr_408 0.85\n60 3ebp 3ebp_476 3.98 3ebp_251 2.88 3ebp_691 2.91\n61 2w66 2w66_186 0.83 2w66_179 0.91 2w66_190 0.53\n62 2w4x 2w4x_306 1.13 2w4x_67 0.54 2w4x_61 0.69\n63 2wca 2wca_161 3.26 2wca_20 2.86 2wca_773 5.59\n64 2xj7 2xj7_812 0.40 2xj7_914 0.27 2xj7_118 0.52\n65 2vvn 2vvn_205 0.61 2vvn_780 0.83 2vvn_802 0.44\n66 3aru 3aru_39 4.79 3aru_715 1.97 3aru_725 1.83\n67 3arv 3arv_324 0.85 3arv_386 1.27 3arv_374 1.27\n68 3ary 3ary_222 6.00 3ary_561 4.87 3ary_687 5.72\n69 3arq 3arq_422 5.21 3arq_445 4.86 3arq_760 2.59\n70 3arp 3arp_37 0.97 3arp_394 2.82 3arp_254 3.03\n71 4ih5 4ih5_227 3.85 4ih5_219 3.92 4ih5_5 4.06\n72 4ih7 4ih7_12 0.69 4ih7_219 0.54 4ih7_241 0.44\n73 3cj4 3cj4_166 0.50 3cj4_179 0.76 3cj4_338 0.64\n74 4eo8 4eo8_12 0.39 4eo8_318 0.54 4eo8_30 0.50\n75 3gnw 3gnw_712 0.63 3gnw_294 0.71 3gnw_708 0.71\n76 1gpk 1gpk_407 0.79 1gpk_328 0.52 1gpk_463 1.44\n77 1gpn 1gpn_299 0.35 1gpn_435 1.00 1gpn_451 1.40\n78 1h23 1h23_815 1.15 1h23_728 1.77 1h23_347 0.89\n79 1h22 1h22_346 0.64 1h22_187 1.33 1h22_393 2.01\n80 1e66 1e66_412 1.29 1e66_404 0.97 1e66_787 0.60\n81 3f3a 3f3a_649 1.33 3f3a_612 1.97 3f3a_3 0.60\n82 3f3c 3f3c_466 1.55 3f3c_508 0.97 3f3c_326 0.45\n83 4mme 4mme_16 0.59 4mme_71 0.55 4mme_324 0.60\n84 3f3d 3f3d_287 1.55 3f3d_516 1.38 3f3d_692 0.91\n85 3f3e 3f3e_844 0.93 3f3e_451 1.15 3f3e_457 0.79\n86 2wbg 2wbg_331 0.93 2wbg_75 0.33 2wbg_734 1.53\n87 2cbv 2cbv_945 0.99 2cbv_719 0.38 2cbv_712 0.58\n88 2j78 2j78_311 0.37 2j78_326 0.70 2j78_31 0.74\n89 2j7h 2j7h_48 0.17 2j7h_720 0.45 2j7h_721 0.75\n90 2cet 2cet_734 0.98 2cet_313 0.85 2cet_359 0.88\n91 3udh 3udh_30 0.50 3udh_347 0.32 3udh_359 0.14\n92 3rsx 3rsx_131 0.41 3rsx_249 0.76 3rsx_515 0.79\n93 4djv 4djv_314 1.09 4djv_335 0.61 4djv_399 0.64\n94 2vkm 2vkm_296 1.05 2vkm_707 0.95 2vkm_806 0.93\n95 4gid 4gid_197 0.77 4gid_201 0.38 4gid_269 0.94\n96 4jfs 4jfs_818 0.92 4jfs_982 0.82 4jfs_362 0.66\n97 4j28 4j28_110 0.90 4j28_183 0.93 4j28_196 0.87\n98 2wvt 2wvt_266 0.93 2wvt_217 0.34 2wvt_415 0.95\n99 2xii 2xii_237 0.53 2xii_185 1.01 2xii_238 0.45\n100 4pcs 4pcs_165 0.90 4pcs_164 0.54 4pcs_812 0.56\n101 3rr4 3rr4_401 0.81 3rr4_369 0.22 3rr4_701 0.44\n102 1s38 1s38_305 0.47 1s38_75 0.30 1s38_117 0.19\n103 1r5y 1r5y_167 0.16 1r5y_181 0.61 1r5y_270 0.34\n104 3gc5 3gc5_402 0.72 3gc5_464 0.92 3gc5_426 0.97\n105 3ge7 3ge7_795 0.99 3ge7_140 0.61 3ge7_191 0.68\n106 4dli 4dli_96 0.44 4dli_948 1.19 4dli_769 0.95\n107 2zb1 2zb1_510 0.99 2zb1_98 0.63 2zb1_55 0.41\n108 4f9w 4f9w_96 0.53 4f9w_36 0.30 4f9w_25 0.53\n109 3e92 3e92_17 0.59 3e92_907 0.39 3e92_940 0.95\n110 3e93 3e93_240 0.34 3e93_141 0.46 3e93_7 0.68\n111 4owm 4owm_230 0.75 4owm_232 0.61 4owm_366 1.41\n112 3twp 3twp_608 1.94 3twp_381 2.79 3twp_321 2.56\n113 3r88 3r88_255 0.58 3r88_291 0.76 3r88_632 1.17\n114 4gkm 4gkm_189 0.94 4gkm_375 0.56 4gkm_180 0.50\n115 3qqs 3qqs_100 0.48 3qqs_35 0.61 3qqs_715 0.76\n116 3gv9 3gv9_30 0.64 3gv9_7 0.59 3gv9_462 0.92\n117 3gr2 3gr2_701 1.32 3gr2_835 1.92 3gr2_337 1.94\n118 4kz6 4kz6_365 0.66 4kz6_143 0.71 4kz6_160 0.69\n119 4jxs 4jxs_334 1.00 4jxs_147 0.77 4jxs_153 0.47\n120 2r9w 2r9w_950 0.96 2r9w_710 0.95 2r9w_774 1.10\n121 2hb1 2hb1_148 0.81 2hb1_167 0.53 2hb1_313 0.32\n122 1bzc 1bzc_375 0.69 1bzc_323 0.74 1bzc_43 0.83\n123 2qbr 2qbr_778 0.87 2qbr_201 0.65 2qbr_385 0.80\n124 2qbq 2qbq_235 0.92 2qbq_97 0.91 2qbq_843 0.90\n125 2qbp 2qbp_272 0.59 2qbp_29 0.90 2qbp_259 0.84\n126 1q8t 1q8t_879 0.79 1q8t_60 0.92 1q8t_152 0.82\n127 1ydr 1ydr_801 1.00 1ydr_63 0.92 1ydr_80 0.79\n128 1q8u 1q8u_796 0.54 1q8u_901 0.63 1q8u_909 0.70\n129 1ydt 1ydt_207 1.02 1ydt_817 1.01 1ydt_251 0.54\n130 3ag9 3ag9_934 2.78 3ag9_1008 1.62 3ag9_712 3.32\n131 3fcq 3fcq_135 3.09 3fcq_110 0.87 3fcq_352 0.57\n132 1z9g 1z9g_229 1.89 1z9g_849 0.89 1z9g_219 2.15\n133 1qf1 1qf1_198 0.99 1qf1_814 0.64 1qf1_727 0.56\n134 5tmn 5tmn_717 1.71 5tmn_725 1.92 5tmn_284 2.45\n135 4tmn 4tmn_324 0.74 4tmn_710 1.15 4tmn_248 1.09\n136 4ddk 4ddk_445 4.35 4ddk_467 4.28 4ddk_361 0.57\n137 4ddh 4ddh_427 1.25 4ddh_911 0.30 4ddh_519 0.57\n138 3ivg 3ivg_713 0.71 3ivg_250 0.82 3ivg_252 0.80\n139 3coz 3coz_212 2.17 3coz_214 1.91 3coz_247 0.62\n140 3coy 3coy_258 2.90 3coy_66 1.77 3coy_291 2.65\n141 3pxf 3pxf_743 1.39 3pxf_761 1.37 3pxf_724 2.89\n142 4eor 4eor_121 0.52 4eor_701 0.53 4eor_790 0.97\n143 2xnb 2xnb_911 1.96 2xnb_291 0.89 2xnb_770 1.55\n144 1pxn 1pxn_96 0.51 1pxn_86 0.83 1pxn_197 0.77\n145 2fvd 2fvd_809 2.00 2fvd_34 0.83 2fvd_288 0.54\n146 4k77 4k77_167 0.22 4k77_328 0.37 4k77_951 0.87\n147 4e5w 4e5w_121 0.15 4e5w_779 0.86 4e5w_883 0.39\n148 4ivb 4ivb_253 0.22 4ivb_142 0.45 4ivb_875 0.84\n149 4ivd 4ivd_771 0.83 4ivd_886 1.57 4ivd_231 0.77\n150 4ivc 4ivc_864 1.36 4ivc_232 0.28 4ivc_831 1.33\n151 4f09 4f09_903 0.51 4f09_893 0.30 4f09_270 0.27\n152 4gfm 4gfm_225 0.43 4gfm_913 0.44 4gfm_214 0.46\n153 4hge 4hge_617 4.13 4hge_471 1.72 4hge_797 2.55\n154 4e6q 4e6q_120 0.39 4e6q_936 0.96 4e6q_132 0.96\n155 4jia 4jia_66 0.82 4jia_85 0.80 4jia_60 0.65\n156 2brb 2brb_302 0.71 2brb_318 0.71 2brb_383 0.62\n157 2br1 2br1_354 0.83 2br1_349 1.00 2br1_392 0.83\n158 3jvr 3jvr_470 4.09 3jvr_471 5.37 3jvr_580 2.06\n159 3jvs 3jvs_884 0.98 3jvs_897 0.84 3jvs_904 1.30\n160 1nvq 1nvq_927 0.40 1nvq_710 0.21 1nvq_871 0.85\n161 3acw 3acw_411 0.85 3acw_455 0.89 3acw_809 0.58\n162 4ea2 4ea2_722 1.99 4ea2_819 2.38 4ea2_961 2.54\n163 2zcr 2zcr_187 0.76 2zcr_351 0.85 2zcr_75 0.70\n164 2zy1 2zy1_175 1.13 2zy1_172 0.95 2zy1_119 1.42\n165 2zcq 2zcq_263 2.07 2zcq_168 1.98 2zcq_274 3.57\n166 1bcu 1bcu_703 0.61 1bcu_397 0.66 1bcu_903 1.58\n167 3bv9 3bv9_195 0.70 3bv9_325 0.88 3bv9_71 0.87\n168 1oyt 1oyt_711 0.40 1oyt_59 0.51 1oyt_947 0.62\n169 2zda 2zda_264 0.76 2zda_835 0.93 2zda_23 0.75\n170 3utu 3utu_701 1.31 3utu_374 0.45 3utu_713 1.97\n171 3u9q 3u9q_416 0.88 3u9q_291 0.89 3u9q_91 0.91\n172 2yfe 2yfe_257 0.83 2yfe_81 0.72 2yfe_286 0.90\n173 3fur 3fur_960 0.93 3fur_138 0.91 3fur_215 0.57\n174 3b1m 3b1m_949 1.94 3b1m_215 1.33 3b1m_423 2.79\n175 2p4y 2p4y_275 5.23 2p4y_25 4.44 2p4y_762 5.27\n176 3uo4 3uo4_388 0.96 3uo4_343 0.54 3uo4_329 0.43\n177 3up2 3up2_4 0.67 3up2_29 0.80 3up2_231 0.82\n178 3e5a 3e5a_129 0.64 3e5a_398 1.00 3e5a_49 0.94\n179 2wtv 2wtv_108 0.49 2wtv_174 0.53 2wtv_320 0.40\n180 3myg 3myg_965 2.04 3myg_333 0.91 3myg_840 1.28\n181 3kgp 3kgp_715 1.60 3kgp_5 1.00 3kgp_31 1.00\n182 1c5z 1c5z_8 0.45 1c5z_3 0.40 1c5z_452 0.77\n183 1o5b 1o5b_400 0.41 1o5b_396 0.56 1o5b_329 0.60\n184 1owh 1owh_3 0.66 1owh_307 0.53 1owh_391 0.26\n185 1sqa 1sqa_747 0.72 1sqa_357 0.62 1sqa_322 0.79\n186 4jsz 4jsz_672 2.00 4jsz_506 3.36 4jsz_491 2.64\n187 3kwa 3kwa_541 1.91 3kwa_130 1.76 3kwa_872 1.96\n188 2weg 2weg_335 1.54 2weg_204 0.98 2weg_407 1.79\n189 3ryj 3ryj_387 0.81 3ryj_229 0.40 3ryj_395 0.74\n190 3dd0 3dd0_645 0.76 3dd0_479 0.92 3dd0_283 0.99\n191 2xdl 2xdl_176 0.96 2xdl_692 2.17 2xdl_265 0.47\n192 3b27 3b27_307 0.24 3b27_106 0.64 3b27_139 0.45\n193 1yc1 1yc1_205 0.51 1yc1_246 0.96 1yc1_214 1.24\n194 3rlr 3rlr_197 0.43 3rlr_365 0.54 3rlr_341 0.42\n195 2yki 2yki_363 0.28 2yki_701 0.49 2yki_893 0.94\n196 1z95 1z95_313 0.57 1z95_169 0.45 1z95_337 0.51\n197 3b68 3b68_304 0.87 3b68_884 2.09 3b68_126 1.00\n198 3b5r 3b5r_443 4.99 3b5r_557 1.73 3b5r_468 5.29\n199 3b65 3b65_533 3.17 3b65_488 3.29 3b65_596 3.12\n200 3g0w 3g0w_27 0.45 3g0w_874 1.83 3g0w_196 0.33\n201 4u4s 4u4s_927 0.73 4u4s_787 0.72 4u4s_71 0.37\n202 1p1q 1p1q_394 0.86 1p1q_357 0.60 1p1q_121 0.71\n203 1syi 1syi_234 0.38 1syi_353 0.21 1syi_259 0.63\n204 1p1n 1p1n_333 0.64 1p1n_216 1.13 1p1n_825 0.77\n205 2al5 2al5_436 0.76 2al5_323 0.23 2al5_339 0.41\n206 3g2z 3g2z_132 2.47 3g2z_166 2.93 3g2z_1005 1.01\n207 3g31 3g31_596 1.96 3g31_109 0.92 3g31_534 1.91\n208 4de2 4de2_290 0.74 4de2_108 0.72 4de2_214 0.73\n209 4de3 4de3_358 0.53 4de3_322 0.54 4de3_375 0.40\n210 4de1 4de1_190 0.24 4de1_215 0.47 4de1_277 0.83\n211 1vso 1vso_358 1.65 1vso_978 1.35 1vso_115 0.67\n212 4dld 4dld_826 1.36 4dld_285 0.87 4dld_262 1.00\n213 3gbb 3gbb_625 3.94 3gbb_421 4.13 3gbb_489 4.02\n214 3fv2 3fv2_302 0.36 3fv2_177 0.59 3fv2_172 0.12\n215 3fv1 3fv1_436 1.51 3fv1_467 2.37 3fv1_452 1.82\n216 4mgd 4mgd_132 0.93 4mgd_24 0.43 4mgd_96 0.52\n217 2qe4 2qe4_83 0.54 2qe4_841 0.75 2qe4_309 0.49\n218 1qkt 1qkt_766 4.54 1qkt_86 0.47 1qkt_718 0.58\n219 2pog 2pog_457 1.05 2pog_876 0.85 2pog_734 0.87\n220 2p15 2p15_496 4.30 2p15_414 3.90 2p15_591 3.75\n221 2y5h 2y5h_284 0.82 2y5h_364 0.82 2y5h_703 0.82\n222 1lpg 1lpg_254 0.74 1lpg_244 0.75 1lpg_253 0.78\n223 2xbv 2xbv_317 0.69 2xbv_378 0.90 2xbv_392 1.22\n224 1z6e 1z6e_350 0.85 1z6e_160 0.96 1z6e_31 0.84\n225 1mq6 1mq6_750 1.80 1mq6_416 1.99 1mq6_129 0.70\n226 1nc3 1nc3_665 5.75 1nc3_471 5.45 1nc3_551 5.66\n227 1nc1 1nc1_6 0.51 1nc1_18 0.58 1nc1_739 0.59\n228 1y6r 1y6r_809 0.67 1y6r_947 0.54 1y6r_232 0.46\n229 4f2w 4f2w_142 0.57 4f2w_105 0.60 4f2w_907 0.44\n230 4f3c 4f3c_755 0.32 4f3c_744 0.73 4f3c_871 1.05\n231 1uto 1uto_834 0.67 1uto_972 0.70 1uto_428 0.71\n232 4abg 4abg_800 0.55 4abg_824 0.96 4abg_149 0.93\n233 3gy4 3gy4_39 0.50 3gy4_184 0.34 3gy4_14 0.64\n234 1k1i 1k1i_71 1.97 1k1i_79 1.99 1k1i_896 1.65\n235 1o3f 1o3f_372 0.49 1o3f_931 0.83 1o3f_910 0.58\n236 2yge 2yge_74 0.68 2yge_267 0.62 2yge_966 1.08\n237 2fxs 2fxs_927 0.79 2fxs_941 0.65 2fxs_827 0.87\n238 2iwx 2iwx_366 0.54 2iwx_103 0.97 2iwx_351 0.33\n239 2wer 2wer_888 0.72 2wer_73 0.27 2wer_390 0.41\n240 2vw5 2vw5_381 0.43 2vw5_249 0.28 2vw5_227 0.60\n241 4kzq 4kzq_5 0.66 4kzq_133 0.74 4kzq_14 0.45\n242 4kzu 4kzu_601 0.83 4kzu_411 0.89 4kzu_206 0.45\n243 4j21 4j21_50 0.34 4j21_190 0.95 4j21_119 1.35\n244 4j3l 4j3l_348 1.67 4j3l_202 2.07 4j3l_761 0.60\n245 3kr8 3kr8_896 0.93 3kr8_894 0.62 3kr8_884 0.56\n246 2ymd 2ymd_439 3.97 2ymd_496 4.49 2ymd_492 4.07\n247 2wnc 2wnc_969 1.15 2wnc_302 0.70 2wnc_860 2.01\n248 2xys 2xys_782 0.42 2xys_398 0.44 2xys_127 0.46\n249 2wn9 2wn9_232 0.52 2wn9_194 0.69 2wn9_445 4.06\n250 2x00 2x00_767 2.59 2x00_701 0.97 2x00_705 1.23\n251 3ozt 3ozt_70 0.26 3ozt_202 0.52 3ozt_267 0.96\n252 3ozs 3ozs_201 0.79 3ozs_255 0.69 3ozs_307 0.55\n253 3oe5 3oe5_236 0.42 3oe5_356 0.51 3oe5_30 0.57\n254 3oe4 3oe4_292 0.34 3oe4_203 0.47 3oe4_328 0.42\n255 3nw9 3nw9_210 0.81 3nw9_945 0.53 3nw9_70 0.54\n256 3ao4 3ao4_165 0.61 3ao4_115 0.50 3ao4_195 0.68\n257 3zt2 3zt2_195 0.68 3zt2_323 0.82 3zt2_173 0.32\n258 3zsx 3zsx_714 1.13 3zsx_955 1.91 3zsx_961 1.78\n259 4cig 4cig_809 1.14 4cig_600 1.75 4cig_787 1.79\n260 3zso 3zso_902 1.59 3zso_799 1.59 3zso_910 2.05\n261 3n7a 3n7a_495 1.11 3n7a_955 0.21 3n7a_428 0.71\n262 4ciw 4ciw_482 1.12 4ciw_451 0.78 4ciw_267 0.46\n263 3n86 3n86_870 0.87 3n86_531 1.45 3n86_861 0.90\n264 3n76 3n76_758 1.26 3n76_760 0.78 3n76_407 0.89\n265 2xb8 2xb8_35 0.74 2xb8_133 0.62 2xb8_28 0.66\n266 4bkt 4bkt_283 0.56 4bkt_953 1.07 4bkt_713 0.65\n267 4w9c 4w9c_719 0.92 4w9c_379 0.53 4w9c_326 1.12\n268 4w9l 4w9l_368 0.71 4w9l_215 0.71 4w9l_264 0.88\n269 4w9i 4w9i_204 0.42 4w9i_172 0.71 4w9i_110 0.89\n270 4w9h 4w9h_368 0.40 4w9h_307 0.38 4w9h_326 0.58\n271 3nq9 3nq9_470 1.37 3nq9_507 1.49 3nq9_605 1.35\n272 3ueu 3ueu_91 0.93 3ueu_52 0.87 3ueu_37 0.86\n273 3uev 3uev_178 1.73 3uev_290 1.47 3uev_957 1.54\n274 3uew 3uew_65 1.64 3uew_243 2.65 3uew_161 2.04\n275 3uex 3uex_227 0.73 3uex_247 0.93 3uex_276 0.64\n276 3lka 3lka_685 1.70 3lka_495 1.55 3lka_161 1.56\n277 3ehy 3ehy_376 0.97 3ehy_395 0.82 3ehy_858 0.83\n278 3tsk 3tsk_713 3.96 3tsk_358 1.75 3tsk_344 2.04\n279 3nx7 3nx7_36 0.73 3nx7_74 0.60 3nx7_46 1.11\n280 4gr0 4gr0_326 0.91 4gr0_279 0.95 4gr0_206 0.97\n281 3dxg 3dxg_458 3.95 3dxg_450 3.06 3dxg_1002 1.70\n282 3d6q 3d6q_50 2.46 3d6q_313 2.04 3d6q_23 2.26\n283 1w4o 1w4o_521 1.39 1w4o_367 0.69 1w4o_246 0.91\n284 1o0h 1o0h_272 0.77 1o0h_78 0.60 1o0h_603 2.49\n285 1u1b 1u1b_26 2.85 1u1b_214 2.42 1u1b_826 2.53\n\nSummary of the docking power: ========================================\nAmong the top1 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 248, success rate = 87.0%\nAmong the top2 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 264, success rate = 92.6%\nAmong the top3 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 268, success rate = 94.0%\nSpearman correlation coefficient in rmsd range [0-2]: 0.602\nSpearman correlation coefficient in rmsd range [0-3]: 0.720\nSpearman correlation coefficient in rmsd range [0-4]: 0.786\nSpearman correlation coefficient in rmsd range [0-5]: 0.810\nSpearman correlation coefficient in rmsd range [0-6]: 0.831\nSpearman correlation coefficient in rmsd range [0-7]: 0.846\nSpearman correlation coefficient in rmsd range [0-8]: 0.854\nSpearman correlation coefficient in rmsd range [0-9]: 0.859\nSpearman correlation coefficient in rmsd range [0-10]: 0.863\n======================================================================\n\n\nTemplate command for running the bootstrap in R program===============\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n========================================================================\n\n" }, { "path": "Validation_CASF2016/DockingPower_DeepDock_7A/DockingPower_DeepDock_7A.out", "content": " code Rank1 RMSD1 Rank2 RMSD2 Rank3 RMSD3\n1 4llx 4llx_386 0.33 4llx_302 0.27 4llx_236 0.43\n2 5c28 5c28_382 2.10 5c28_97 2.25 5c28_47 0.56\n3 3uuo 3uuo_709 0.60 3uuo_712 0.60 3uuo_187 0.77\n4 3ui7 3ui7_333 0.45 3ui7_16 0.63 3ui7_335 0.90\n5 5c2h 5c2h_244 0.59 5c2h_240 0.46 5c2h_247 0.94\n6 2v00 2v00_79 0.74 2v00_605 1.16 2v00_544 1.87\n7 3wz8 3wz8_376 0.84 3wz8_371 0.83 3wz8_391 0.96\n8 3pww 3pww_889 1.50 3pww_394 1.13 3pww_888 1.50\n9 3prs 3prs_711 1.08 3prs_701 1.22 3prs_706 1.74\n10 3uri 3uri_1002 0.93 3uri_1000 0.94 3uri_1003 0.91\n11 4m0z 4m0z_516 0.59 4m0z_686 1.31 4m0z_41 0.68\n12 4m0y 4m0y_814 1.81 4m0y_920 1.74 4m0y_952 1.65\n13 3qgy 3qgy_306 1.03 3qgy_20 1.13 3qgy_318 0.90\n14 4qd6 4qd6_954 1.59 4qd6_978 0.70 4qd6_939 1.27\n15 4rfm 4rfm_85 0.43 4rfm_354 0.71 4rfm_9 0.37\n16 4cr9 4cr9_423 1.85 4cr9_358 0.95 4cr9_690 1.66\n17 4cra 4cra_258 0.87 4cra_281 0.71 4cra_364 0.45\n18 4x6p 4x6p_312 0.67 4x6p_201 0.86 4x6p_324 0.63\n19 4crc 4crc_291 0.85 4crc_368 0.73 4crc_217 0.88\n20 4ty7 4ty7_925 0.95 4ty7_106 0.56 4ty7_254 0.79\n21 5aba 5aba_772 1.67 5aba_525 9.03 5aba_898 1.74\n22 5a7b 5a7b_243 1.60 5a7b_623 1.71 5a7b_284 0.88\n23 4agn 4agn_228 1.07 4agn_280 0.89 4agn_603 1.71\n24 4agp 4agp_656 1.92 4agp_612 2.14 4agp_350 0.97\n25 4agq 4agq_272 2.01 4agq_529 1.95 4agq_234 1.94\n26 3bgz 3bgz_653 1.48 3bgz_621 1.05 3bgz_472 1.94\n27 3jya 3jya_471 1.04 3jya_179 0.94 3jya_490 0.85\n28 2c3i 2c3i_818 1.74 2c3i_799 0.90 2c3i_556 2.88\n29 4k18 4k18_85 0.53 4k18_225 0.31 4k18_254 0.36\n30 5dwr 5dwr_382 0.46 5dwr_289 0.54 5dwr_193 0.94\n31 3mss 3mss_948 2.58 3mss_873 2.89 3mss_836 3.05\n32 3k5v 3k5v_152 8.28 3k5v_206 8.42 3k5v_810 3.09\n33 3pyy 3pyy_812 1.63 3pyy_822 1.59 3pyy_832 2.38\n34 2v7a 2v7a_338 0.60 2v7a_859 0.95 2v7a_784 1.76\n35 4twp 4twp_379 0.76 4twp_358 0.80 4twp_352 0.95\n36 3wtj 3wtj_307 0.38 3wtj_328 0.31 3wtj_184 0.94\n37 3zdg 3zdg_286 2.01 3zdg_300 1.85 3zdg_792 1.53\n38 3u8k 3u8k_564 4.38 3u8k_557 5.05 3u8k_612 0.97\n39 4qac 4qac_476 2.48 4qac_581 2.49 4qac_484 2.47\n40 3u8n 3u8n_928 0.84 3u8n_869 2.66 3u8n_531 1.17\n41 1a30 1a30_140 2.70 1a30_170 2.97 1a30_353 3.15\n42 2qnq 2qnq_277 2.31 2qnq_207 0.98 2qnq_287 1.42\n43 1g2k 1g2k_265 0.69 1g2k_242 1.13 1g2k_74 0.60\n44 1eby 1eby_262 1.01 1eby_295 0.87 1eby_238 0.95\n45 3o9i 3o9i_227 0.79 3o9i_38 0.68 3o9i_222 0.93\n46 4lzs 4lzs_70 0.69 4lzs_1 0.75 4lzs_61 0.87\n47 3u5j 3u5j_65 0.41 3u5j_294 0.65 3u5j_251 0.79\n48 4wiv 4wiv_829 0.86 4wiv_486 3.84 4wiv_838 0.87\n49 4ogj 4ogj_795 3.64 4ogj_297 4.94 4ogj_661 5.40\n50 3p5o 3p5o_759 0.69 3p5o_108 0.92 3p5o_238 0.69\n51 1ps3 1ps3_707 0.98 1ps3_734 0.86 1ps3_161 0.28\n52 3dx1 3dx1_382 0.79 3dx1_25 0.33 3dx1_304 0.47\n53 3d4z 3d4z_340 0.47 3d4z_376 0.31 3d4z_132 0.34\n54 3dx2 3dx2_990 0.58 3dx2_820 0.37 3dx2_380 0.41\n55 3ejr 3ejr_87 1.26 3ejr_964 0.65 3ejr_360 0.41\n56 3l7b 3l7b_38 0.42 3l7b_9 0.40 3l7b_47 0.77\n57 4eky 4eky_899 0.67 4eky_38 0.63 4eky_32 0.89\n58 3g2n 3g2n_35 0.79 3g2n_49 0.48 3g2n_55 0.78\n59 3syr 3syr_862 0.78 3syr_477 1.35 3syr_408 0.85\n60 3ebp 3ebp_476 3.98 3ebp_691 2.91 3ebp_251 2.88\n61 2w66 2w66_534 3.26 2w66_453 2.28 2w66_773 3.27\n62 2w4x 2w4x_407 0.70 2w4x_417 0.86 2w4x_67 0.54\n63 2wca 2wca_773 5.59 2wca_731 1.88 2wca_951 3.72\n64 2xj7 2xj7_812 0.40 2xj7_871 1.64 2xj7_914 0.27\n65 2vvn 2vvn_406 1.13 2vvn_401 1.83 2vvn_205 0.61\n66 3aru 3aru_573 2.65 3aru_311 0.67 3aru_450 2.24\n67 3arv 3arv_345 0.70 3arv_515 3.27 3arv_324 0.85\n68 3ary 3ary_858 6.03 3ary_762 1.40 3ary_844 1.23\n69 3arq 3arq_639 9.10 3arq_575 3.46 3arq_515 6.04\n70 3arp 3arp_17 1.39 3arp_67 0.98 3arp_284 1.83\n71 4ih5 4ih5_867 1.96 4ih5_192 3.09 4ih5_159 2.57\n72 4ih7 4ih7_461 2.23 4ih7_12 0.69 4ih7_438 1.86\n73 3cj4 3cj4_166 0.50 3cj4_338 0.64 3cj4_179 0.76\n74 4eo8 4eo8_30 0.50 4eo8_12 0.39 4eo8_318 0.54\n75 3gnw 3gnw_729 2.21 3gnw_722 1.53 3gnw_155 5.15\n76 1gpk 1gpk_159 0.76 1gpk_415 1.62 1gpk_328 0.52\n77 1gpn 1gpn_600 1.09 1gpn_781 4.18 1gpn_658 2.56\n78 1h23 1h23_815 1.15 1h23_347 0.89 1h23_335 1.86\n79 1h22 1h22_187 1.33 1h22_346 0.64 1h22_384 1.95\n80 1e66 1e66_661 2.74 1e66_712 1.76 1e66_404 0.97\n81 3f3a 3f3a_612 1.97 3f3a_65 0.32 3f3a_552 2.20\n82 3f3c 3f3c_508 0.97 3f3c_686 2.83 3f3c_466 1.55\n83 4mme 4mme_16 0.59 4mme_71 0.55 4mme_324 0.60\n84 3f3d 3f3d_287 1.55 3f3d_666 2.02 3f3d_516 1.38\n85 3f3e 3f3e_844 0.93 3f3e_451 1.15 3f3e_457 0.79\n86 2wbg 2wbg_331 0.93 2wbg_719 0.68 2wbg_734 1.53\n87 2cbv 2cbv_945 0.99 2cbv_453 2.15 2cbv_872 3.09\n88 2j78 2j78_311 0.37 2j78_458 1.14 2j78_326 0.70\n89 2j7h 2j7h_720 0.45 2j7h_912 0.48 2j7h_48 0.17\n90 2cet 2cet_313 0.85 2cet_734 0.98 2cet_756 0.77\n91 3udh 3udh_477 1.40 3udh_523 2.02 3udh_72 0.43\n92 3rsx 3rsx_249 0.76 3rsx_388 0.91 3rsx_131 0.41\n93 4djv 4djv_105 1.84 4djv_314 1.09 4djv_335 0.61\n94 2vkm 2vkm_296 1.05 2vkm_955 1.47 2vkm_707 0.95\n95 4gid 4gid_197 0.77 4gid_291 0.81 4gid_201 0.38\n96 4jfs 4jfs_899 0.85 4jfs_362 0.66 4jfs_139 0.69\n97 4j28 4j28_110 0.90 4j28_794 0.34 4j28_196 0.87\n98 2wvt 2wvt_736 0.85 2wvt_217 0.34 2wvt_922 0.61\n99 2xii 2xii_763 0.88 2xii_237 0.53 2xii_146 0.53\n100 4pcs 4pcs_196 0.41 4pcs_173 0.77 4pcs_812 0.56\n101 3rr4 3rr4_369 0.22 3rr4_701 0.44 3rr4_529 0.89\n102 1s38 1s38_305 0.47 1s38_432 0.84 1s38_485 0.99\n103 1r5y 1r5y_167 0.16 1r5y_341 0.31 1r5y_90 0.48\n104 3gc5 3gc5_402 0.72 3gc5_426 0.97 3gc5_464 0.92\n105 3ge7 3ge7_794 1.03 3ge7_795 0.99 3ge7_895 0.91\n106 4dli 4dli_96 0.44 4dli_948 1.19 4dli_524 1.15\n107 2zb1 2zb1_510 0.99 2zb1_726 0.89 2zb1_329 0.43\n108 4f9w 4f9w_25 0.53 4f9w_96 0.53 4f9w_86 0.49\n109 3e92 3e92_106 0.32 3e92_907 0.39 3e92_482 0.91\n110 3e93 3e93_7 0.68 3e93_51 0.34 3e93_390 2.73\n111 4owm 4owm_362 0.56 4owm_232 0.61 4owm_230 0.75\n112 3twp 3twp_510 0.46 3twp_608 1.94 3twp_613 0.89\n113 3r88 3r88_628 4.18 3r88_533 0.98 3r88_632 1.17\n114 4gkm 4gkm_375 0.56 4gkm_111 0.46 4gkm_348 0.68\n115 3qqs 3qqs_35 0.61 3qqs_105 0.81 3qqs_511 1.32\n116 3gv9 3gv9_30 0.64 3gv9_7 0.59 3gv9_59 0.59\n117 3gr2 3gr2_337 1.94 3gr2_973 1.50 3gr2_872 2.26\n118 4kz6 4kz6_723 1.76 4kz6_315 0.54 4kz6_389 0.56\n119 4jxs 4jxs_334 1.00 4jxs_306 0.81 4jxs_147 0.77\n120 2r9w 2r9w_910 0.78 2r9w_911 0.66 2r9w_741 1.36\n121 2hb1 2hb1_167 0.53 2hb1_148 0.81 2hb1_981 0.79\n122 1bzc 1bzc_225 1.01 1bzc_265 0.70 1bzc_375 0.69\n123 2qbr 2qbr_385 0.80 2qbr_778 0.87 2qbr_301 1.10\n124 2qbq 2qbq_235 0.92 2qbq_752 0.38 2qbq_276 0.55\n125 2qbp 2qbp_272 0.59 2qbp_288 0.77 2qbp_259 0.84\n126 1q8t 1q8t_706 1.15 1q8t_879 0.79 1q8t_60 0.92\n127 1ydr 1ydr_801 1.00 1ydr_701 0.98 1ydr_80 0.79\n128 1q8u 1q8u_796 0.54 1q8u_901 0.63 1q8u_902 0.69\n129 1ydt 1ydt_817 1.01 1ydt_251 0.54 1ydt_283 0.93\n130 3ag9 3ag9_891 2.82 3ag9_712 3.32 3ag9_934 2.78\n131 3fcq 3fcq_107 1.83 3fcq_135 3.09 3fcq_365 0.79\n132 1z9g 1z9g_849 0.89 1z9g_789 0.75 1z9g_790 0.64\n133 1qf1 1qf1_198 0.99 1qf1_814 0.64 1qf1_397 0.95\n134 5tmn 5tmn_950 0.93 5tmn_717 1.71 5tmn_996 1.96\n135 4tmn 4tmn_746 2.14 4tmn_710 1.15 4tmn_209 1.03\n136 4ddk 4ddk_568 3.45 4ddk_445 4.35 4ddk_496 4.33\n137 4ddh 4ddh_462 3.71 4ddh_427 1.25 4ddh_882 3.96\n138 3ivg 3ivg_209 0.97 3ivg_713 0.71 3ivg_250 0.82\n139 3coz 3coz_7 3.03 3coz_401 3.19 3coz_263 0.83\n140 3coy 3coy_258 2.90 3coy_291 2.65 3coy_695 8.03\n141 3pxf 3pxf_539 1.98 3pxf_631 1.93 3pxf_743 1.39\n142 4eor 4eor_701 0.53 4eor_121 0.52 4eor_850 0.62\n143 2xnb 2xnb_770 1.55 2xnb_291 0.89 2xnb_751 0.63\n144 1pxn 1pxn_96 0.51 1pxn_197 0.77 1pxn_86 0.83\n145 2fvd 2fvd_286 1.08 2fvd_288 0.54 2fvd_345 1.41\n146 4k77 4k77_328 0.37 4k77_167 0.22 4k77_257 0.54\n147 4e5w 4e5w_286 0.40 4e5w_121 0.15 4e5w_247 0.23\n148 4ivb 4ivb_875 0.84 4ivb_253 0.22 4ivb_142 0.45\n149 4ivd 4ivd_771 0.83 4ivd_823 0.37 4ivd_962 1.03\n150 4ivc 4ivc_232 0.28 4ivc_831 1.33 4ivc_841 0.90\n151 4f09 4f09_903 0.51 4f09_270 0.27 4f09_893 0.30\n152 4gfm 4gfm_225 0.43 4gfm_214 0.46 4gfm_913 0.44\n153 4hge 4hge_797 2.55 4hge_617 4.13 4hge_471 1.72\n154 4e6q 4e6q_120 0.39 4e6q_936 0.96 4e6q_132 0.96\n155 4jia 4jia_60 0.65 4jia_85 0.80 4jia_66 0.82\n156 2brb 2brb_302 0.71 2brb_318 0.71 2brb_383 0.62\n157 2br1 2br1_354 0.83 2br1_349 1.00 2br1_315 0.70\n158 3jvr 3jvr_580 2.06 3jvr_484 4.51 3jvr_471 5.37\n159 3jvs 3jvs_884 0.98 3jvs_904 1.30 3jvs_897 0.84\n160 1nvq 1nvq_927 0.40 1nvq_710 0.21 1nvq_871 0.85\n161 3acw 3acw_281 1.61 3acw_809 0.58 3acw_411 0.85\n162 4ea2 4ea2_819 2.38 4ea2_722 1.99 4ea2_565 4.95\n163 2zcr 2zcr_495 1.68 2zcr_383 1.39 2zcr_187 0.76\n164 2zy1 2zy1_175 1.13 2zy1_119 1.42 2zy1_172 0.95\n165 2zcq 2zcq_593 8.22 2zcq_168 1.98 2zcq_471 8.00\n166 1bcu 1bcu_684 0.92 1bcu_397 0.66 1bcu_852 2.22\n167 3bv9 3bv9_124 1.88 3bv9_325 0.88 3bv9_35 2.28\n168 1oyt 1oyt_711 0.40 1oyt_59 0.51 1oyt_947 0.62\n169 2zda 2zda_264 0.76 2zda_277 0.43 2zda_299 0.46\n170 3utu 3utu_701 1.31 3utu_374 0.45 3utu_237 0.90\n171 3u9q 3u9q_621 1.91 3u9q_539 2.60 3u9q_416 0.88\n172 2yfe 2yfe_784 1.90 2yfe_286 0.90 2yfe_257 0.83\n173 3fur 3fur_960 0.93 3fur_243 0.46 3fur_234 1.11\n174 3b1m 3b1m_778 2.92 3b1m_657 7.09 3b1m_215 1.33\n175 2p4y 2p4y_314 2.87 2p4y_765 2.77 2p4y_472 3.48\n176 3uo4 3uo4_388 0.96 3uo4_343 0.54 3uo4_329 0.43\n177 3up2 3up2_231 0.82 3up2_29 0.80 3up2_4 0.67\n178 3e5a 3e5a_129 0.64 3e5a_313 0.83 3e5a_398 1.00\n179 2wtv 2wtv_108 0.49 2wtv_174 0.53 2wtv_320 0.40\n180 3myg 3myg_965 2.04 3myg_333 0.91 3myg_925 1.93\n181 3kgp 3kgp_31 1.00 3kgp_5 1.00 3kgp_20 0.99\n182 1c5z 1c5z_3 0.40 1c5z_8 0.45 1c5z_452 0.77\n183 1o5b 1o5b_400 0.41 1o5b_329 0.60 1o5b_396 0.56\n184 1owh 1owh_3 0.66 1owh_391 0.26 1owh_307 0.53\n185 1sqa 1sqa_776 0.65 1sqa_787 0.64 1sqa_747 0.72\n186 4jsz 4jsz_672 2.00 4jsz_491 2.64 4jsz_815 1.73\n187 3kwa 3kwa_758 2.38 3kwa_541 1.91 3kwa_130 1.76\n188 2weg 2weg_838 0.90 2weg_335 1.54 2weg_515 1.33\n189 3ryj 3ryj_387 0.81 3ryj_229 0.40 3ryj_395 0.74\n190 3dd0 3dd0_645 0.76 3dd0_479 0.92 3dd0_570 1.32\n191 2xdl 2xdl_549 5.58 2xdl_559 5.12 2xdl_495 5.33\n192 3b27 3b27_307 0.24 3b27_106 0.64 3b27_366 0.38\n193 1yc1 1yc1_246 0.96 1yc1_38 0.59 1yc1_214 1.24\n194 3rlr 3rlr_365 0.54 3rlr_197 0.43 3rlr_192 0.43\n195 2yki 2yki_893 0.94 2yki_841 1.13 2yki_830 0.98\n196 1z95 1z95_313 0.57 1z95_337 0.51 1z95_303 0.38\n197 3b68 3b68_304 0.87 3b68_475 4.89 3b68_291 0.90\n198 3b5r 3b5r_443 4.99 3b5r_575 5.00 3b5r_557 1.73\n199 3b65 3b65_533 3.17 3b65_639 3.80 3b65_542 3.38\n200 3g0w 3g0w_413 0.93 3g0w_874 1.83 3g0w_196 0.33\n201 4u4s 4u4s_927 0.73 4u4s_787 0.72 4u4s_71 0.37\n202 1p1q 1p1q_394 0.86 1p1q_357 0.60 1p1q_121 0.71\n203 1syi 1syi_234 0.38 1syi_411 0.89 1syi_259 0.63\n204 1p1n 1p1n_216 1.13 1p1n_825 0.77 1p1n_333 0.64\n205 2al5 2al5_436 0.76 2al5_339 0.41 2al5_323 0.23\n206 3g2z 3g2z_132 2.47 3g2z_1008 1.26 3g2z_1005 1.01\n207 3g31 3g31_596 1.96 3g31_534 1.91 3g31_109 0.92\n208 4de2 4de2_567 2.06 4de2_108 0.72 4de2_333 0.43\n209 4de3 4de3_358 0.53 4de3_322 0.54 4de3_375 0.40\n210 4de1 4de1_190 0.24 4de1_366 0.56 4de1_195 0.77\n211 1vso 1vso_115 0.67 1vso_198 0.58 1vso_301 0.60\n212 4dld 4dld_211 0.34 4dld_207 0.53 4dld_410 0.80\n213 3gbb 3gbb_616 4.30 3gbb_796 4.04 3gbb_503 1.27\n214 3fv2 3fv2_177 0.59 3fv2_302 0.36 3fv2_298 0.33\n215 3fv1 3fv1_436 1.51 3fv1_491 2.03 3fv1_407 1.52\n216 4mgd 4mgd_24 0.43 4mgd_96 0.52 4mgd_425 0.98\n217 2qe4 2qe4_629 1.55 2qe4_689 2.03 2qe4_693 1.73\n218 1qkt 1qkt_766 4.54 1qkt_776 2.15 1qkt_86 0.47\n219 2pog 2pog_552 1.52 2pog_876 0.85 2pog_853 1.20\n220 2p15 2p15_550 3.78 2p15_331 0.27 2p15_262 0.40\n221 2y5h 2y5h_284 0.82 2y5h_364 0.82 2y5h_703 0.82\n222 1lpg 1lpg_244 0.75 1lpg_266 1.02 1lpg_254 0.74\n223 2xbv 2xbv_317 0.69 2xbv_392 1.22 2xbv_267 0.74\n224 1z6e 1z6e_160 0.96 1z6e_350 0.85 1z6e_31 0.84\n225 1mq6 1mq6_750 1.80 1mq6_416 1.99 1mq6_129 0.70\n226 1nc3 1nc3_524 5.73 1nc3_665 5.75 1nc3_669 4.51\n227 1nc1 1nc1_6 0.51 1nc1_739 0.59 1nc1_18 0.58\n228 1y6r 1y6r_809 0.67 1y6r_947 0.54 1y6r_232 0.46\n229 4f2w 4f2w_142 0.57 4f2w_105 0.60 4f2w_907 0.44\n230 4f3c 4f3c_744 0.73 4f3c_251 0.78 4f3c_755 0.32\n231 1uto 1uto_428 0.71 1uto_834 0.67 1uto_972 0.70\n232 4abg 4abg_824 0.96 4abg_149 0.93 4abg_800 0.55\n233 3gy4 3gy4_39 0.50 3gy4_184 0.34 3gy4_14 0.64\n234 1k1i 1k1i_79 1.99 1k1i_896 1.65 1k1i_71 1.97\n235 1o3f 1o3f_372 0.49 1o3f_752 0.66 1o3f_910 0.58\n236 2yge 2yge_35 0.83 2yge_74 0.68 2yge_437 0.89\n237 2fxs 2fxs_905 1.62 2fxs_927 0.79 2fxs_953 0.54\n238 2iwx 2iwx_351 0.33 2iwx_394 0.36 2iwx_366 0.54\n239 2wer 2wer_888 0.72 2wer_73 0.27 2wer_390 0.41\n240 2vw5 2vw5_381 0.43 2vw5_227 0.60 2vw5_249 0.28\n241 4kzq 4kzq_5 0.66 4kzq_14 0.45 4kzq_133 0.74\n242 4kzu 4kzu_256 0.53 4kzu_206 0.45 4kzu_5 0.88\n243 4j21 4j21_50 0.34 4j21_430 0.88 4j21_119 1.35\n244 4j3l 4j3l_761 0.60 4j3l_858 0.90 4j3l_733 0.63\n245 3kr8 3kr8_884 0.56 3kr8_894 0.62 3kr8_785 0.68\n246 2ymd 2ymd_434 4.18 2ymd_484 1.53 2ymd_587 1.52\n247 2wnc 2wnc_514 1.65 2wnc_532 1.79 2wnc_587 3.03\n248 2xys 2xys_499 1.73 2xys_398 0.44 2xys_443 2.02\n249 2wn9 2wn9_11 4.21 2wn9_448 2.49 2wn9_329 3.65\n250 2x00 2x00_817 1.42 2x00_464 1.72 2x00_705 1.23\n251 3ozt 3ozt_202 0.52 3ozt_70 0.26 3ozt_702 0.78\n252 3ozs 3ozs_255 0.69 3ozs_201 0.79 3ozs_224 1.24\n253 3oe5 3oe5_236 0.42 3oe5_266 0.67 3oe5_203 0.70\n254 3oe4 3oe4_203 0.47 3oe4_292 0.34 3oe4_328 0.42\n255 3nw9 3nw9_210 0.81 3nw9_945 0.53 3nw9_975 1.01\n256 3ao4 3ao4_165 0.61 3ao4_195 0.68 3ao4_456 0.80\n257 3zt2 3zt2_5 0.39 3zt2_8 0.49 3zt2_541 0.96\n258 3zsx 3zsx_293 1.23 3zsx_955 1.91 3zsx_961 1.78\n259 4cig 4cig_809 1.14 4cig_784 2.57 4cig_787 1.79\n260 3zso 3zso_923 2.49 3zso_799 1.59 3zso_902 1.59\n261 3n7a 3n7a_552 1.06 3n7a_495 1.11 3n7a_831 0.47\n262 4ciw 4ciw_482 1.12 4ciw_451 0.78 4ciw_267 0.46\n263 3n86 3n86_531 1.45 3n86_870 0.87 3n86_861 0.90\n264 3n76 3n76_586 2.15 3n76_758 1.26 3n76_578 1.34\n265 2xb8 2xb8_35 0.74 2xb8_133 0.62 2xb8_28 0.66\n266 4bkt 4bkt_369 1.00 4bkt_17 0.99 4bkt_541 1.90\n267 4w9c 4w9c_925 1.15 4w9c_719 0.92 4w9c_379 0.53\n268 4w9l 4w9l_368 0.71 4w9l_204 0.96 4w9l_264 0.88\n269 4w9i 4w9i_204 0.42 4w9i_795 0.74 4w9i_221 0.45\n270 4w9h 4w9h_368 0.40 4w9h_307 0.38 4w9h_765 0.96\n271 3nq9 3nq9_700 2.59 3nq9_470 1.37 3nq9_473 1.47\n272 3ueu 3ueu_52 0.87 3ueu_438 1.14 3ueu_425 1.51\n273 3uev 3uev_684 6.20 3uev_655 4.50 3uev_700 1.00\n274 3uew 3uew_613 1.76 3uew_624 1.57 3uew_282 1.09\n275 3uex 3uex_588 6.75 3uex_227 0.73 3uex_640 4.72\n276 3lka 3lka_495 1.55 3lka_443 2.05 3lka_161 1.56\n277 3ehy 3ehy_141 0.99 3ehy_706 0.66 3ehy_685 1.05\n278 3tsk 3tsk_713 3.96 3tsk_263 3.98 3tsk_423 3.84\n279 3nx7 3nx7_36 0.73 3nx7_854 1.92 3nx7_778 0.99\n280 4gr0 4gr0_326 0.91 4gr0_279 0.95 4gr0_206 0.97\n281 3dxg 3dxg_464 4.51 3dxg_450 3.06 3dxg_465 4.27\n282 3d6q 3d6q_50 2.46 3d6q_23 2.26 3d6q_276 2.75\n283 1w4o 1w4o_367 0.69 1w4o_376 0.67 1w4o_313 0.81\n284 1o0h 1o0h_603 2.49 1o0h_272 0.77 1o0h_78 0.60\n285 1u1b 1u1b_919 2.04 1u1b_929 1.97 1u1b_2 2.80\n\nSummary of the docking power: ========================================\nAmong the top1 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 230, success rate = 80.7%\nAmong the top2 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 256, success rate = 89.8%\nAmong the top3 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 265, success rate = 93.0%\nSpearman correlation coefficient in rmsd range [0-2]: 0.519\nSpearman correlation coefficient in rmsd range [0-3]: 0.624\nSpearman correlation coefficient in rmsd range [0-4]: 0.683\nSpearman correlation coefficient in rmsd range [0-5]: 0.711\nSpearman correlation coefficient in rmsd range [0-6]: 0.730\nSpearman correlation coefficient in rmsd range [0-7]: 0.739\nSpearman correlation coefficient in rmsd range [0-8]: 0.745\nSpearman correlation coefficient in rmsd range [0-9]: 0.749\nSpearman correlation coefficient in rmsd range [0-10]: 0.756\n======================================================================\n\n\nTemplate command for running the bootstrap in R program===============\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n========================================================================\n\n" }, { "path": "Validation_CASF2016/DockingPower_DeepDock_all/DockingPower_DeepDock_all.out", "content": " code Rank1 RMSD1 Rank2 RMSD2 Rank3 RMSD3\n1 4llx 4llx_386 0.33 4llx_302 0.27 4llx_519 1.25\n2 5c28 5c28_47 0.56 5c28_531 2.52 5c28_382 2.10\n3 3uuo 3uuo_709 0.60 3uuo_712 0.60 3uuo_711 0.55\n4 3ui7 3ui7_333 0.45 3ui7_16 0.63 3ui7_335 0.90\n5 5c2h 5c2h_244 0.59 5c2h_247 0.94 5c2h_240 0.46\n6 2v00 2v00_79 0.74 2v00_544 1.87 2v00_605 1.16\n7 3wz8 3wz8_376 0.84 3wz8_371 0.83 3wz8_391 0.96\n8 3pww 3pww_889 1.50 3pww_394 1.13 3pww_816 1.65\n9 3prs 3prs_711 1.08 3prs_701 1.22 3prs_706 1.74\n10 3uri 3uri_1000 0.94 3uri_1002 0.93 3uri_1001 0.91\n11 4m0z 4m0z_516 0.59 4m0z_686 1.31 4m0z_41 0.68\n12 4m0y 4m0y_814 1.81 4m0y_920 1.74 4m0y_952 1.65\n13 3qgy 3qgy_306 1.03 3qgy_20 1.13 3qgy_318 0.90\n14 4qd6 4qd6_954 1.59 4qd6_978 0.70 4qd6_939 1.27\n15 4rfm 4rfm_85 0.43 4rfm_354 0.71 4rfm_9 0.37\n16 4cr9 4cr9_423 1.85 4cr9_358 0.95 4cr9_690 1.66\n17 4cra 4cra_258 0.87 4cra_318 0.47 4cra_364 0.45\n18 4x6p 4x6p_312 0.67 4x6p_201 0.86 4x6p_254 0.57\n19 4crc 4crc_291 0.85 4crc_217 0.88 4crc_368 0.73\n20 4ty7 4ty7_106 0.56 4ty7_925 0.95 4ty7_62 1.05\n21 5aba 5aba_772 1.67 5aba_525 9.03 5aba_657 2.90\n22 5a7b 5a7b_623 1.71 5a7b_243 1.60 5a7b_286 0.74\n23 4agn 4agn_228 1.07 4agn_603 1.71 4agn_280 0.89\n24 4agp 4agp_656 1.92 4agp_612 2.14 4agp_350 0.97\n25 4agq 4agq_529 1.95 4agq_234 1.94 4agq_272 2.01\n26 3bgz 3bgz_653 1.48 3bgz_621 1.05 3bgz_472 1.94\n27 3jya 3jya_471 1.04 3jya_413 1.38 3jya_490 0.85\n28 2c3i 2c3i_818 1.74 2c3i_556 2.88 2c3i_823 0.88\n29 4k18 4k18_225 0.31 4k18_85 0.53 4k18_254 0.36\n30 5dwr 5dwr_382 0.46 5dwr_289 0.54 5dwr_193 0.94\n31 3mss 3mss_948 2.58 3mss_836 3.05 3mss_873 2.89\n32 3k5v 3k5v_152 8.28 3k5v_626 6.68 3k5v_810 3.09\n33 3pyy 3pyy_812 1.63 3pyy_822 1.59 3pyy_832 2.38\n34 2v7a 2v7a_338 0.60 2v7a_859 0.95 2v7a_784 1.76\n35 4twp 4twp_379 0.76 4twp_358 0.80 4twp_352 0.95\n36 3wtj 3wtj_328 0.31 3wtj_307 0.38 3wtj_222 1.05\n37 3zdg 3zdg_286 2.01 3zdg_758 2.33 3zdg_792 1.53\n38 3u8k 3u8k_564 4.38 3u8k_557 5.05 3u8k_584 4.59\n39 4qac 4qac_476 2.48 4qac_581 2.49 4qac_945 0.87\n40 3u8n 3u8n_928 0.84 3u8n_531 1.17 3u8n_869 2.66\n41 1a30 1a30_353 3.15 1a30_140 2.70 1a30_170 2.97\n42 2qnq 2qnq_277 2.31 2qnq_207 0.98 2qnq_287 1.42\n43 1g2k 1g2k_265 0.69 1g2k_242 1.13 1g2k_74 0.60\n44 1eby 1eby_262 1.01 1eby_295 0.87 1eby_238 0.95\n45 3o9i 3o9i_227 0.79 3o9i_38 0.68 3o9i_222 0.93\n46 4lzs 4lzs_70 0.69 4lzs_1 0.75 4lzs_61 0.87\n47 3u5j 3u5j_65 0.41 3u5j_54 0.63 3u5j_251 0.79\n48 4wiv 4wiv_829 0.86 4wiv_486 3.84 4wiv_838 0.87\n49 4ogj 4ogj_297 4.94 4ogj_795 3.64 4ogj_661 5.40\n50 3p5o 3p5o_759 0.69 3p5o_818 0.83 3p5o_108 0.92\n51 1ps3 1ps3_707 0.98 1ps3_734 0.86 1ps3_161 0.28\n52 3dx1 3dx1_382 0.79 3dx1_457 2.00 3dx1_25 0.33\n53 3d4z 3d4z_340 0.47 3d4z_376 0.31 3d4z_132 0.34\n54 3dx2 3dx2_990 0.58 3dx2_820 0.37 3dx2_380 0.41\n55 3ejr 3ejr_87 1.26 3ejr_360 0.41 3ejr_964 0.65\n56 3l7b 3l7b_38 0.42 3l7b_9 0.40 3l7b_47 0.77\n57 4eky 4eky_899 0.67 4eky_38 0.63 4eky_32 0.89\n58 3g2n 3g2n_35 0.79 3g2n_49 0.48 3g2n_55 0.78\n59 3syr 3syr_862 0.78 3syr_477 1.35 3syr_408 0.85\n60 3ebp 3ebp_476 3.98 3ebp_691 2.91 3ebp_597 3.81\n61 2w66 2w66_534 3.26 2w66_453 2.28 2w66_773 3.27\n62 2w4x 2w4x_756 2.01 2w4x_407 0.70 2w4x_417 0.86\n63 2wca 2wca_773 5.59 2wca_731 1.88 2wca_951 3.72\n64 2xj7 2xj7_812 0.40 2xj7_871 1.64 2xj7_914 0.27\n65 2vvn 2vvn_406 1.13 2vvn_401 1.83 2vvn_205 0.61\n66 3aru 3aru_573 2.65 3aru_311 0.67 3aru_450 2.24\n67 3arv 3arv_515 3.27 3arv_821 4.42 3arv_345 0.70\n68 3ary 3ary_858 6.03 3ary_762 1.40 3ary_844 1.23\n69 3arq 3arq_639 9.10 3arq_655 7.80 3arq_643 8.72\n70 3arp 3arp_17 1.39 3arp_67 0.98 3arp_284 1.83\n71 4ih5 4ih5_867 1.96 4ih5_192 3.09 4ih5_159 2.57\n72 4ih7 4ih7_461 2.23 4ih7_12 0.69 4ih7_438 1.86\n73 3cj4 3cj4_166 0.50 3cj4_179 0.76 3cj4_338 0.64\n74 4eo8 4eo8_30 0.50 4eo8_318 0.54 4eo8_206 0.55\n75 3gnw 3gnw_729 2.21 3gnw_155 5.15 3gnw_722 1.53\n76 1gpk 1gpk_159 0.76 1gpk_415 1.62 1gpk_328 0.52\n77 1gpn 1gpn_781 4.18 1gpn_600 1.09 1gpn_658 2.56\n78 1h23 1h23_815 1.15 1h23_347 0.89 1h23_12 1.81\n79 1h22 1h22_346 0.64 1h22_187 1.33 1h22_384 1.95\n80 1e66 1e66_661 2.74 1e66_712 1.76 1e66_404 0.97\n81 3f3a 3f3a_612 1.97 3f3a_552 2.20 3f3a_65 0.32\n82 3f3c 3f3c_508 0.97 3f3c_686 2.83 3f3c_466 1.55\n83 4mme 4mme_16 0.59 4mme_71 0.55 4mme_324 0.60\n84 3f3d 3f3d_287 1.55 3f3d_666 2.02 3f3d_516 1.38\n85 3f3e 3f3e_844 0.93 3f3e_451 1.15 3f3e_457 0.79\n86 2wbg 2wbg_331 0.93 2wbg_719 0.68 2wbg_734 1.53\n87 2cbv 2cbv_453 2.15 2cbv_945 0.99 2cbv_872 3.09\n88 2j78 2j78_311 0.37 2j78_326 0.70 2j78_458 1.14\n89 2j7h 2j7h_720 0.45 2j7h_912 0.48 2j7h_48 0.17\n90 2cet 2cet_313 0.85 2cet_734 0.98 2cet_756 0.77\n91 3udh 3udh_523 2.02 3udh_477 1.40 3udh_72 0.43\n92 3rsx 3rsx_249 0.76 3rsx_388 0.91 3rsx_515 0.79\n93 4djv 4djv_314 1.09 4djv_105 1.84 4djv_335 0.61\n94 2vkm 2vkm_296 1.05 2vkm_955 1.47 2vkm_707 0.95\n95 4gid 4gid_197 0.77 4gid_291 0.81 4gid_201 0.38\n96 4jfs 4jfs_899 0.85 4jfs_139 0.69 4jfs_362 0.66\n97 4j28 4j28_110 0.90 4j28_794 0.34 4j28_196 0.87\n98 2wvt 2wvt_736 0.85 2wvt_217 0.34 2wvt_922 0.61\n99 2xii 2xii_763 0.88 2xii_237 0.53 2xii_146 0.53\n100 4pcs 4pcs_196 0.41 4pcs_173 0.77 4pcs_812 0.56\n101 3rr4 3rr4_369 0.22 3rr4_701 0.44 3rr4_529 0.89\n102 1s38 1s38_305 0.47 1s38_432 0.84 1s38_485 0.99\n103 1r5y 1r5y_167 0.16 1r5y_341 0.31 1r5y_113 0.44\n104 3gc5 3gc5_426 0.97 3gc5_402 0.72 3gc5_464 0.92\n105 3ge7 3ge7_795 0.99 3ge7_794 1.03 3ge7_895 0.91\n106 4dli 4dli_96 0.44 4dli_948 1.19 4dli_524 1.15\n107 2zb1 2zb1_510 0.99 2zb1_726 0.89 2zb1_875 2.11\n108 4f9w 4f9w_25 0.53 4f9w_96 0.53 4f9w_86 0.49\n109 3e92 3e92_106 0.32 3e92_482 0.91 3e92_17 0.59\n110 3e93 3e93_390 2.73 3e93_7 0.68 3e93_51 0.34\n111 4owm 4owm_362 0.56 4owm_232 0.61 4owm_135 2.35\n112 3twp 3twp_510 0.46 3twp_362 2.42 3twp_608 1.94\n113 3r88 3r88_628 4.18 3r88_533 0.98 3r88_632 1.17\n114 4gkm 4gkm_375 0.56 4gkm_301 2.32 4gkm_111 0.46\n115 3qqs 3qqs_35 0.61 3qqs_105 0.81 3qqs_511 1.32\n116 3gv9 3gv9_30 0.64 3gv9_7 0.59 3gv9_59 0.59\n117 3gr2 3gr2_973 1.50 3gr2_337 1.94 3gr2_872 2.26\n118 4kz6 4kz6_315 0.54 4kz6_723 1.76 4kz6_308 0.28\n119 4jxs 4jxs_334 1.00 4jxs_306 0.81 4jxs_147 0.77\n120 2r9w 2r9w_460 3.92 2r9w_910 0.78 2r9w_927 0.68\n121 2hb1 2hb1_167 0.53 2hb1_313 0.32 2hb1_981 0.79\n122 1bzc 1bzc_225 1.01 1bzc_375 0.69 1bzc_265 0.70\n123 2qbr 2qbr_385 0.80 2qbr_301 1.10 2qbr_282 0.91\n124 2qbq 2qbq_235 0.92 2qbq_276 0.55 2qbq_752 0.38\n125 2qbp 2qbp_272 0.59 2qbp_288 0.77 2qbp_259 0.84\n126 1q8t 1q8t_706 1.15 1q8t_879 0.79 1q8t_60 0.92\n127 1ydr 1ydr_801 1.00 1ydr_701 0.98 1ydr_80 0.79\n128 1q8u 1q8u_796 0.54 1q8u_902 0.69 1q8u_901 0.63\n129 1ydt 1ydt_817 1.01 1ydt_251 0.54 1ydt_283 0.93\n130 3ag9 3ag9_891 2.82 3ag9_712 3.32 3ag9_850 2.93\n131 3fcq 3fcq_107 1.83 3fcq_365 0.79 3fcq_135 3.09\n132 1z9g 1z9g_849 0.89 1z9g_789 0.75 1z9g_790 0.64\n133 1qf1 1qf1_198 0.99 1qf1_814 0.64 1qf1_397 0.95\n134 5tmn 5tmn_950 0.93 5tmn_717 1.71 5tmn_996 1.96\n135 4tmn 4tmn_746 2.14 4tmn_710 1.15 4tmn_209 1.03\n136 4ddk 4ddk_568 3.45 4ddk_632 3.88 4ddk_496 4.33\n137 4ddh 4ddh_462 3.71 4ddh_882 3.96 4ddh_427 1.25\n138 3ivg 3ivg_209 0.97 3ivg_250 0.82 3ivg_252 0.80\n139 3coz 3coz_7 3.03 3coz_401 3.19 3coz_561 4.61\n140 3coy 3coy_258 2.90 3coy_695 8.03 3coy_291 2.65\n141 3pxf 3pxf_539 1.98 3pxf_631 1.93 3pxf_775 1.61\n142 4eor 4eor_701 0.53 4eor_121 0.52 4eor_850 0.62\n143 2xnb 2xnb_770 1.55 2xnb_291 0.89 2xnb_751 0.63\n144 1pxn 1pxn_96 0.51 1pxn_197 0.77 1pxn_86 0.83\n145 2fvd 2fvd_286 1.08 2fvd_288 0.54 2fvd_345 1.41\n146 4k77 4k77_328 0.37 4k77_167 0.22 4k77_257 0.54\n147 4e5w 4e5w_286 0.40 4e5w_247 0.23 4e5w_121 0.15\n148 4ivb 4ivb_142 0.45 4ivb_253 0.22 4ivb_875 0.84\n149 4ivd 4ivd_771 0.83 4ivd_962 1.03 4ivd_823 0.37\n150 4ivc 4ivc_232 0.28 4ivc_831 1.33 4ivc_841 0.90\n151 4f09 4f09_903 0.51 4f09_270 0.27 4f09_893 0.30\n152 4gfm 4gfm_225 0.43 4gfm_214 0.46 4gfm_913 0.44\n153 4hge 4hge_797 2.55 4hge_617 4.13 4hge_471 1.72\n154 4e6q 4e6q_120 0.39 4e6q_936 0.96 4e6q_132 0.96\n155 4jia 4jia_60 0.65 4jia_85 0.80 4jia_66 0.82\n156 2brb 2brb_302 0.71 2brb_318 0.71 2brb_383 0.62\n157 2br1 2br1_354 0.83 2br1_349 1.00 2br1_392 0.83\n158 3jvr 3jvr_580 2.06 3jvr_484 4.51 3jvr_471 5.37\n159 3jvs 3jvs_884 0.98 3jvs_904 1.30 3jvs_897 0.84\n160 1nvq 1nvq_927 0.40 1nvq_710 0.21 1nvq_871 0.85\n161 3acw 3acw_411 0.85 3acw_809 0.58 3acw_281 1.61\n162 4ea2 4ea2_565 4.95 4ea2_819 2.38 4ea2_798 3.64\n163 2zcr 2zcr_495 1.68 2zcr_383 1.39 2zcr_324 0.85\n164 2zy1 2zy1_175 1.13 2zy1_119 1.42 2zy1_172 0.95\n165 2zcq 2zcq_593 8.22 2zcq_168 1.98 2zcq_471 8.00\n166 1bcu 1bcu_684 0.92 1bcu_397 0.66 1bcu_852 2.22\n167 3bv9 3bv9_124 1.88 3bv9_35 2.28 3bv9_325 0.88\n168 1oyt 1oyt_711 0.40 1oyt_947 0.62 1oyt_59 0.51\n169 2zda 2zda_264 0.76 2zda_277 0.43 2zda_299 0.46\n170 3utu 3utu_237 0.90 3utu_701 1.31 3utu_374 0.45\n171 3u9q 3u9q_539 2.60 3u9q_621 1.91 3u9q_416 0.88\n172 2yfe 2yfe_784 1.90 2yfe_232 5.16 2yfe_240 1.03\n173 3fur 3fur_960 0.93 3fur_243 0.46 3fur_138 0.91\n174 3b1m 3b1m_657 7.09 3b1m_778 2.92 3b1m_215 1.33\n175 2p4y 2p4y_314 2.87 2p4y_765 2.77 2p4y_472 3.48\n176 3uo4 3uo4_388 0.96 3uo4_343 0.54 3uo4_329 0.43\n177 3up2 3up2_231 0.82 3up2_29 0.80 3up2_4 0.67\n178 3e5a 3e5a_129 0.64 3e5a_313 0.83 3e5a_398 1.00\n179 2wtv 2wtv_108 0.49 2wtv_174 0.53 2wtv_320 0.40\n180 3myg 3myg_965 2.04 3myg_333 0.91 3myg_925 1.93\n181 3kgp 3kgp_5 1.00 3kgp_31 1.00 3kgp_20 0.99\n182 1c5z 1c5z_3 0.40 1c5z_8 0.45 1c5z_452 0.77\n183 1o5b 1o5b_400 0.41 1o5b_329 0.60 1o5b_396 0.56\n184 1owh 1owh_3 0.66 1owh_391 0.26 1owh_307 0.53\n185 1sqa 1sqa_787 0.64 1sqa_776 0.65 1sqa_366 0.83\n186 4jsz 4jsz_672 2.00 4jsz_491 2.64 4jsz_815 1.73\n187 3kwa 3kwa_758 2.38 3kwa_541 1.91 3kwa_852 2.92\n188 2weg 2weg_838 0.90 2weg_335 1.54 2weg_515 1.33\n189 3ryj 3ryj_387 0.81 3ryj_229 0.40 3ryj_395 0.74\n190 3dd0 3dd0_645 0.76 3dd0_479 0.92 3dd0_570 1.32\n191 2xdl 2xdl_549 5.58 2xdl_559 5.12 2xdl_495 5.33\n192 3b27 3b27_307 0.24 3b27_106 0.64 3b27_366 0.38\n193 1yc1 1yc1_246 0.96 1yc1_214 1.24 1yc1_38 0.59\n194 3rlr 3rlr_365 0.54 3rlr_197 0.43 3rlr_397 1.07\n195 2yki 2yki_893 0.94 2yki_830 0.98 2yki_841 1.13\n196 1z95 1z95_313 0.57 1z95_337 0.51 1z95_303 0.38\n197 3b68 3b68_304 0.87 3b68_475 4.89 3b68_291 0.90\n198 3b5r 3b5r_443 4.99 3b5r_575 5.00 3b5r_557 1.73\n199 3b65 3b65_533 3.17 3b65_639 3.80 3b65_542 3.38\n200 3g0w 3g0w_874 1.83 3g0w_413 0.93 3g0w_196 0.33\n201 4u4s 4u4s_927 0.73 4u4s_787 0.72 4u4s_71 0.37\n202 1p1q 1p1q_394 0.86 1p1q_357 0.60 1p1q_121 0.71\n203 1syi 1syi_234 0.38 1syi_411 0.89 1syi_259 0.63\n204 1p1n 1p1n_216 1.13 1p1n_825 0.77 1p1n_333 0.64\n205 2al5 2al5_436 0.76 2al5_339 0.41 2al5_323 0.23\n206 3g2z 3g2z_132 2.47 3g2z_1008 1.26 3g2z_1011 0.97\n207 3g31 3g31_596 1.96 3g31_781 2.03 3g31_786 2.00\n208 4de2 4de2_567 2.06 4de2_108 0.72 4de2_333 0.43\n209 4de3 4de3_358 0.53 4de3_322 0.54 4de3_350 0.97\n210 4de1 4de1_190 0.24 4de1_366 0.56 4de1_195 0.77\n211 1vso 1vso_115 0.67 1vso_198 0.58 1vso_301 0.60\n212 4dld 4dld_211 0.34 4dld_410 0.80 4dld_207 0.53\n213 3gbb 3gbb_616 4.30 3gbb_783 4.11 3gbb_796 4.04\n214 3fv2 3fv2_177 0.59 3fv2_302 0.36 3fv2_298 0.33\n215 3fv1 3fv1_436 1.51 3fv1_491 2.03 3fv1_407 1.52\n216 4mgd 4mgd_24 0.43 4mgd_96 0.52 4mgd_425 0.98\n217 2qe4 2qe4_629 1.55 2qe4_689 2.03 2qe4_693 1.73\n218 1qkt 1qkt_766 4.54 1qkt_776 2.15 1qkt_86 0.47\n219 2pog 2pog_552 1.52 2pog_853 1.20 2pog_876 0.85\n220 2p15 2p15_550 3.78 2p15_331 0.27 2p15_262 0.40\n221 2y5h 2y5h_284 0.82 2y5h_364 0.82 2y5h_703 0.82\n222 1lpg 1lpg_244 0.75 1lpg_266 1.02 1lpg_254 0.74\n223 2xbv 2xbv_317 0.69 2xbv_392 1.22 2xbv_267 0.74\n224 1z6e 1z6e_160 0.96 1z6e_350 0.85 1z6e_31 0.84\n225 1mq6 1mq6_416 1.99 1mq6_750 1.80 1mq6_266 2.06\n226 1nc3 1nc3_524 5.73 1nc3_622 4.76 1nc3_665 5.75\n227 1nc1 1nc1_6 0.51 1nc1_739 0.59 1nc1_18 0.58\n228 1y6r 1y6r_809 0.67 1y6r_947 0.54 1y6r_232 0.46\n229 4f2w 4f2w_142 0.57 4f2w_105 0.60 4f2w_907 0.44\n230 4f3c 4f3c_744 0.73 4f3c_251 0.78 4f3c_755 0.32\n231 1uto 1uto_428 0.71 1uto_834 0.67 1uto_203 1.76\n232 4abg 4abg_824 0.96 4abg_149 0.93 4abg_814 1.00\n233 3gy4 3gy4_184 0.34 3gy4_39 0.50 3gy4_14 0.64\n234 1k1i 1k1i_896 1.65 1k1i_79 1.99 1k1i_71 1.97\n235 1o3f 1o3f_372 0.49 1o3f_752 0.66 1o3f_910 0.58\n236 2yge 2yge_35 0.83 2yge_198 1.01 2yge_74 0.68\n237 2fxs 2fxs_927 0.79 2fxs_905 1.62 2fxs_953 0.54\n238 2iwx 2iwx_394 0.36 2iwx_351 0.33 2iwx_366 0.54\n239 2wer 2wer_888 0.72 2wer_73 0.27 2wer_390 0.41\n240 2vw5 2vw5_227 0.60 2vw5_381 0.43 2vw5_249 0.28\n241 4kzq 4kzq_14 0.45 4kzq_5 0.66 4kzq_133 0.74\n242 4kzu 4kzu_256 0.53 4kzu_206 0.45 4kzu_5 0.88\n243 4j21 4j21_50 0.34 4j21_430 0.88 4j21_119 1.35\n244 4j3l 4j3l_761 0.60 4j3l_858 0.90 4j3l_733 0.63\n245 3kr8 3kr8_884 0.56 3kr8_894 0.62 3kr8_785 0.68\n246 2ymd 2ymd_484 1.53 2ymd_587 1.52 2ymd_434 4.18\n247 2wnc 2wnc_514 1.65 2wnc_587 3.03 2wnc_532 1.79\n248 2xys 2xys_499 1.73 2xys_443 2.02 2xys_398 0.44\n249 2wn9 2wn9_11 4.21 2wn9_448 2.49 2wn9_474 3.64\n250 2x00 2x00_817 1.42 2x00_705 1.23 2x00_464 1.72\n251 3ozt 3ozt_202 0.52 3ozt_702 0.78 3ozt_70 0.26\n252 3ozs 3ozs_255 0.69 3ozs_201 0.79 3ozs_224 1.24\n253 3oe5 3oe5_236 0.42 3oe5_203 0.70 3oe5_266 0.67\n254 3oe4 3oe4_203 0.47 3oe4_292 0.34 3oe4_328 0.42\n255 3nw9 3nw9_210 0.81 3nw9_945 0.53 3nw9_975 1.01\n256 3ao4 3ao4_165 0.61 3ao4_195 0.68 3ao4_456 0.80\n257 3zt2 3zt2_5 0.39 3zt2_8 0.49 3zt2_323 0.82\n258 3zsx 3zsx_293 1.23 3zsx_955 1.91 3zsx_961 1.78\n259 4cig 4cig_809 1.14 4cig_784 2.57 4cig_787 1.79\n260 3zso 3zso_923 2.49 3zso_799 1.59 3zso_902 1.59\n261 3n7a 3n7a_552 1.06 3n7a_495 1.11 3n7a_993 1.36\n262 4ciw 4ciw_482 1.12 4ciw_451 0.78 4ciw_267 0.46\n263 3n86 3n86_531 1.45 3n86_870 0.87 3n86_861 0.90\n264 3n76 3n76_586 2.15 3n76_758 1.26 3n76_578 1.34\n265 2xb8 2xb8_35 0.74 2xb8_133 0.62 2xb8_28 0.66\n266 4bkt 4bkt_17 0.99 4bkt_369 1.00 4bkt_541 1.90\n267 4w9c 4w9c_719 0.92 4w9c_925 1.15 4w9c_379 0.53\n268 4w9l 4w9l_368 0.71 4w9l_204 0.96 4w9l_264 0.88\n269 4w9i 4w9i_204 0.42 4w9i_795 0.74 4w9i_221 0.45\n270 4w9h 4w9h_368 0.40 4w9h_307 0.38 4w9h_765 0.96\n271 3nq9 3nq9_700 2.59 3nq9_470 1.37 3nq9_473 1.47\n272 3ueu 3ueu_52 0.87 3ueu_438 1.14 3ueu_425 1.51\n273 3uev 3uev_684 6.20 3uev_655 4.50 3uev_700 1.00\n274 3uew 3uew_613 1.76 3uew_624 1.57 3uew_282 1.09\n275 3uex 3uex_588 6.75 3uex_640 4.72 3uex_227 0.73\n276 3lka 3lka_495 1.55 3lka_443 2.05 3lka_498 4.67\n277 3ehy 3ehy_685 1.05 3ehy_706 0.66 3ehy_977 0.73\n278 3tsk 3tsk_713 3.96 3tsk_423 3.84 3tsk_263 3.98\n279 3nx7 3nx7_36 0.73 3nx7_854 1.92 3nx7_778 0.99\n280 4gr0 4gr0_326 0.91 4gr0_206 0.97 4gr0_279 0.95\n281 3dxg 3dxg_465 4.27 3dxg_464 4.51 3dxg_450 3.06\n282 3d6q 3d6q_23 2.26 3d6q_50 2.46 3d6q_276 2.75\n283 1w4o 1w4o_367 0.69 1w4o_376 0.67 1w4o_313 0.81\n284 1o0h 1o0h_603 2.49 1o0h_564 2.05 1o0h_353 0.92\n285 1u1b 1u1b_919 2.04 1u1b_2 2.80 1u1b_929 1.97\n\nSummary of the docking power: ========================================\nAmong the top1 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 225, success rate = 78.9%\nAmong the top2 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 249, success rate = 87.4%\nAmong the top3 binding pose ranked by the given scoring function:\nNumber of correct binding poses = 262, success rate = 91.9%\nSpearman correlation coefficient in rmsd range [0-2]: 0.503\nSpearman correlation coefficient in rmsd range [0-3]: 0.606\nSpearman correlation coefficient in rmsd range [0-4]: 0.664\nSpearman correlation coefficient in rmsd range [0-5]: 0.690\nSpearman correlation coefficient in rmsd range [0-6]: 0.710\nSpearman correlation coefficient in rmsd range [0-7]: 0.718\nSpearman correlation coefficient in rmsd range [0-8]: 0.724\nSpearman correlation coefficient in rmsd range [0-9]: 0.727\nSpearman correlation coefficient in rmsd range [0-10]: 0.735\n======================================================================\n\n\nTemplate command for running the bootstrap in R program===============\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n========================================================================\n\n" }, { "path": "Validation_CASF2016/Score_CoreSet_docking_CASF2016.csv", "content": "PDB_ID,Score_3A,Score_5A,Score_7A,Score_10A,Score_all\n4k18,64.25368680000449,420.5898705181299,1376.762661813891,1410.0162568367755,1410.01638602799\n4qac,83.2844061298711,450.01256968999587,1128.0662764096696,1154.7673063010277,1154.7690904503804\n1o3f,187.7132053065723,778.5596122182768,1779.2439875640941,1823.1001001165655,1823.110781221914\n4ih7,35.630378250691514,270.11676199153,787.7759051254867,814.7537476029596,814.755215144911\n3dx1,49.94476787861658,202.24570100387868,449.72902901247784,462.38353806385936,462.39191325604116\n1syi,116.9398155462117,391.15166747375895,625.6986253559332,630.2346845045558,630.234684508099\n2p4y,57.90463862690466,471.202897482013,1760.421599629337,1796.915052619172,1796.9165506187253\n3nq9,33.47588015171437,207.30927205929478,516.9870798188878,528.891814691647,528.8965928371339\n3wtj,49.56685398444063,301.54900360610253,788.1912248573859,811.5618562122997,811.5618741514085\n4w9i,96.53538985888554,508.11983168229045,1506.1435864409493,1547.9571235325861,1547.9576589526225\n3b65,83.67242226319325,388.59912533848654,730.792876946801,735.69347322748,735.6934735857485\n3pww,109.47361683367602,756.232060535363,2463.9988941129027,2524.53477613409,2524.535443629194\n4w9c,76.86428371213454,414.5499905279886,1227.66042698994,1256.5354431236563,1256.5385864661514\n3kwa,30.99373518349748,224.15072679477706,575.1643603336886,585.8942961196938,585.895796784691\n3arq,41.46589454797301,366.78673511443844,1474.1056338105684,1514.0147807425642,1514.0216529107513\n3d6q,52.57305927450281,291.370081673399,1021.173594464719,1057.5406470057792,1057.5407480872227\n2w4x,65.65657006412503,332.5830237787524,872.037574312839,897.7391597361931,897.7423130070734\n2j7h,97.90040477159023,354.7562210906335,607.4412389100081,614.8811845830869,614.8817966508483\n2xbv,173.30578064984272,711.534934063176,1776.7760761242082,1814.5594376194824,1814.5594486388882\n2cet,148.89340067116262,593.8951258807765,1336.2455920742618,1363.6287341153113,1363.6287760119342\n3uri,108.93182696449132,781.0031900093652,2505.470324704075,2565.3778223449885,2565.4101926629755\n4w9l,109.21992566122394,633.1535235609476,1841.3237394421858,1882.9890225879462,1882.9929035796474\n3wz8,70.19069819496185,442.9084974991665,1523.6955066881048,1551.1895356411324,1551.1897490276883\n2qbp,129.98330282846908,726.4363792184914,1862.613576237775,1903.3253945703898,1903.3260608572034\n1bzc,142.20843878072364,560.535567283944,1354.7753249751152,1389.211418765663,1389.2296413652778\n4lzs,60.4717740479385,307.14667456390157,868.3877508953361,891.8268682863918,891.8269576721908\n2brb,225.0963547257851,995.2992740121092,2259.6152073754015,2316.3254264847515,2316.3259042459595\n3g0w,104.25695170313782,460.5435946902714,806.6475176947316,809.8801258258953,809.8801258486827\n2zb1,138.56445027826103,668.22042671508,1640.8178049609198,1679.8306384301418,1679.8311950399548\n1bcu,30.149218568097865,226.22615242942663,831.6727823011795,853.5230411403893,853.5240848815982\n3n86,170.66525811690448,577.7076506174901,930.9559258516196,938.9696563368942,938.9696582196754\n4gid,282.8068246406915,1227.0103938011664,3178.59492693241,3247.98461944219,3247.9846385531496\n3rlr,175.67725512671456,743.407529746633,1701.0242093568522,1732.353545994232,1732.3537639412748\n3gy4,111.29248372740311,420.38025990806716,773.4290884200994,791.5258246028503,791.5275376826619\n2al5,82.93395433719911,291.68055181097344,433.05404553953696,434.7932567006077,434.7932567016807\n2zcr,89.4529798988706,578.8675614403595,1454.9294938745927,1485.633741020731,1485.6639689420872\n4kz6,43.053031155720035,286.8594590513716,817.4868867109249,834.6251062873847,834.6266661854299\n2pog,37.59505887069121,279.6626078727504,884.7315623261026,903.9807974390334,903.9809864298318\n3gv9,51.97243037394204,264.2774430053365,707.2984425113002,730.2215897293113,730.2237246370099\n4ciw,106.01380748458514,360.8458228780642,596.5508569387636,599.451834904386,599.4518356225294\n3zso,89.34017751012705,569.5758815764781,1842.2477815110226,1893.1997948798576,1893.2078888279032\n4agn,82.34596035507685,385.2471623221731,1298.2612796466055,1334.5469145926565,1334.5475079059402\n4agq,74.29437993709442,426.2532388868197,1488.2560794522292,1534.0639998330294,1534.0641183221585\n1p1q,74.86978910321334,299.50261411338124,461.56718949284925,463.35856886100555,463.3585688610053\n1w4o,75.3190960193708,359.61339135867735,994.0042230701173,1019.8816660237684,1019.9086143043672\n4ivb,240.88957019469748,969.3943805654129,2138.813561566484,2191.4259662414975,2191.426325088349\n5c2h,155.39817508164646,694.2327565412025,1884.0479858969936,1928.7299648617225,1928.7316221750543\n2zcq,41.66829266511523,320.53796067002,967.0759912227169,988.4208250315521,988.4378068859729\n4kzq,241.5459781319007,921.271895182531,1751.8539737021754,1791.9297189940582,1791.931833176007\n2w66,51.41834035728448,247.55760472681231,600.73799152601,617.2747460154192,617.2756125515189\n3coz,127.91761583054837,604.8223512732975,1366.6604060734746,1387.255540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"PDB_ID,Cpd_Name,Score_3A,Score_5A,Score_7A,Score_10A,Score_all\n4k18,4k18_100,41.7124709276148,355.00999393874434,1234.1988897433216,1265.8331969710105,1265.8335978696152\n4k18,4k18_105,36.50107725111608,320.5826389497487,1098.7196528481893,1128.4331804224062,1128.4344001617458\n4k18,4k18_107,56.13413997037191,406.6658214522255,1261.5476637591444,1298.835192687907,1298.835338794891\n4k18,4k18_118,44.23784542273988,336.9721288402966,1252.596765731967,1287.006223774616,1287.0066010553867\n4k18,4k18_122,42.72467596870927,342.7847157990617,1211.367931058725,1252.029400636168,1252.029755610901\n4k18,4k18_144,38.96232069443992,317.0233589810817,1195.317428787065,1230.1148576211904,1230.1163322862917\n4k18,4k18_151,55.36144488283484,414.94967873970757,1227.4936860001094,1258.1147073742657,1258.115083025271\n4k18,4k18_161,27.722437628691942,289.6039259012111,1017.4632349689235,1044.457285777602,1044.4577867794249\n4k18,4k18_174,55.48357922434606,407.2049941833978,1305.7115494414534,1336.286635389485,1336.2868450665324\n4k18,4k18_200,36.82264842008218,319.5509372458288,1188.0183291622443,1227.749170755791,1227.7512684613735\n4k18,4k18_201,54.54037468823392,387.3761923465572,1285.5658636737983,1322.7375758769015,1322.737753254302\n4k18,4k18_203,44.358268973006425,340.31005064602186,1164.465584215605,1208.6159774629493,1208.616182962977\n4k18,4k18_215,54.68841334770205,400.9374901464637,1242.0733526197612,1275.8713160630066,1275.8716345414553\n4k18,4k18_223,49.66981079515448,353.50821606858364,1116.5043906256494,1161.092669902385,1161.0928886979389\n4k18,4k18_225,62.8812438851792,402.7473872652022,1354.0213112918489,1396.1531772015064,1396.1533166216968\n4k18,4k18_23,61.85263685558704,410.74395494559946,1307.589971651261,1339.8244226977617,1339.8245624272124\n4k18,4k18_233,50.32340600821812,338.6069590173869,1247.4384174408628,1284.1991886751362,1284.1993328837125\n4k18,4k18_249,58.24430904554004,372.56336896225804,1270.8696008146292,1299.9544035778006,1299.9544881941845\n4k18,4k18_254,63.618413833940885,408.1897073448878,1353.700594506805,1387.5523070059185,1387.5524327266733\n4k18,4k18_267,53.228435255971746,375.75792629256716,1301.188120675373,1349.149733877627,1349.149968014605\n4k18,4k18_282,48.4201894390463,382.2017071118331,1275.2868337194332,1315.1983727394856,1315.1986057549498\n4k18,4k18_285,58.011601536769795,388.40472684061024,1343.4359593025777,1384.8266578345751,1384.826827319037\n4k18,4k18_287,42.395932785930555,351.0311804296627,1213.3978059575388,1263.4269858915789,1263.428661631846\n4k18,4k18_365,44.95053494515667,344.13376713090776,1136.3630823189344,1164.1386450032992,1164.1421378686384\n4k18,4k18_38,55.70823074817767,408.05165069979864,1324.1401468661966,1364.3375140834557,1364.337729652478\n4k18,4k18_408,31.436395330620563,328.5704765760239,980.3375192914201,1012.5148772240432,1012.5151875703648\n4k18,4k18_415,23.931027122767695,257.6291066262192,1064.4572818267418,1096.5238544881888,1096.5239139979967\n4k18,4k18_430,18.88957309942349,249.57278493104855,1047.4251339715036,1085.405770563039,1085.4107369833057\n4k18,4k18_437,25.757013981468603,310.2112866492716,1017.7330046806132,1042.3938582648686,1042.3939532675145\n4k18,4k18_438,16.521568395157495,248.79730353619922,1190.6893851788775,1246.233567125736,1246.233636241952\n4k18,4k18_441,38.10466264254557,324.4197586145414,1214.148713857767,1252.3700260420849,1252.3714353061273\n4k18,4k18_454,48.338651267263344,381.09408382349693,1201.5248299804834,1226.8506963800958,1226.8545960946576\n4k18,4k18_458,19.501746333646086,236.20611743722998,1084.7955114643999,1117.9913681339706,1117.9914666337133\n4k18,4k18_467,37.65186801775372,282.0114090774574,1080.4404206230217,1111.2879661042466,1111.2887350403507\n4k18,4k18_471,26.282276068058028,250.3213868471161,1132.135438454799,1165.7180902402522,1165.7191587752998\n4k18,4k18_477,19.926595821511786,260.93869658133957,1132.3153246681982,1168.8705018478536,1168.8722015677447\n4k18,4k18_478,39.87074697266824,313.8542711546871,1071.4856162873675,1115.8325550853676,1115.8367991876946\n4k18,4k18_480,45.44978296165903,329.720116338462,1135.232892274357,1183.9585437754124,1183.95867309718\n4k18,4k18_490,19.702298378241576,250.00022170081186,1044.2718917677073,1074.6819392863079,1074.6824808468773\n4k18,4k18_494,34.41680589272311,295.9369316960926,942.1829308729076,975.6503944053186,975.6506564727052\n4k18,4k18_495,13.391430581379058,238.47054844271509,1172.1648518351744,1223.979352242075,1223.9798645556566\n4k18,4k18_515,18.230880740629022,231.04373152361225,919.7264261868692,953.4335278206335,953.438355861679\n4k18,4k18_531,18.947098065614274,215.62992715310577,874.921160142623,910.5731413127609,910.5733668498737\n4k18,4k18_538,52.18740412782523,372.0480119789561,1273.3897021580171,1309.338897042216,1309.3398213705646\n4k18,4k18_541,23.554507876622374,305.4826909880632,1251.5132019797425,1292.6945690950722,1292.695003808391\n4k18,4k18_542,25.81545064196694,230.3019002662263,972.7121180152325,1026.6552432257693,102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3061212\n3nq9,3nq9_389,2.361062118078602,49.992023804884724,240.22101202524132,250.73681420612905,250.73791977775932\n3nq9,3nq9_401,9.105615237767703,96.93625514283175,196.63519958041562,201.468126015821,201.46832441133495\n3nq9,3nq9_410,13.24882452589298,100.38530766286344,190.95355602766594,193.69412199892287,193.6948991922477\n3nq9,3nq9_412,11.32190293351427,98.51369682991437,193.0092529273074,194.69454994409412,194.69473019511014\n3nq9,3nq9_413,9.604910829561549,107.92937816073199,199.26474962824253,200.49457966252405,200.4948207755064\n3nq9,3nq9_415,11.019849794611272,130.13768321828508,312.37481818447753,318.51963188407007,318.52027217918214\n3nq9,3nq9_420,12.46573219921974,112.78960770470158,226.85189504215367,228.6637216013131,228.66398524534304\n3nq9,3nq9_470,33.11933675906516,200.50896939803945,476.75199240011113,487.03634481706354,487.03966567216634\n3nq9,3nq9_472,21.05479945316916,164.15008906830772,401.50861080551556,408.4091838518398,408.4114293405347\n3nq9,3nq9_473,38.29762372111824,192.39826165405157,465.10131668282,477.3483701873004,477.3510208627864\n3nq9,3nq9_474,27.45293822086123,171.29831983692148,424.8707618837495,434.4076053236789,434.4114510007868\n3nq9,3nq9_492,26.207074768954346,181.63826262244297,425.8795502426657,433.9626648443789,433.9675629381446\n3nq9,3nq9_507,36.97032732773724,196.37258590807076,423.1815423120119,431.06001516390205,431.0638192995193\n3nq9,3nq9_513,11.177815465918476,145.36258273327513,401.30630014769343,413.82543992250083,413.82749209090395\n3nq9,3nq9_526,34.68235129110462,178.68935896004692,422.615096715438,434.2920766871867,434.2954325456556\n3nq9,3nq9_528,12.861549852901337,128.68362539703986,295.48344198666155,302.4166167837633,302.41736334535125\n3nq9,3nq9_550,6.555324288933287,94.65142224796175,317.38022567466936,328.04434717838757,328.0471035343601\n3nq9,3nq9_553,23.903311551222085,168.39147317731664,418.982756305999,432.15715611865517,432.15904399503535\n3nq9,3nq9_556,19.244032740401735,149.95154468919634,403.60320563302383,416.620570208344,416.6224207399519\n3nq9,3nq9_560,25.083499156945646,182.46112706393646,462.9701503350055,472.49105264114297,472.49498287462166\n3nq9,3nq9_568,9.791433675285514,108.85378162818917,277.0832407830603,290.8846561262964,290.88555089747217\n3nq9,3nq9_574,14.925754945989924,141.60279787900424,433.0486993394653,443.17374010642635,443.17604006337507\n3nq9,3nq9_605,33.143248548080244,193.64142536836994,434.2921082567844,442.9228328166624,442.9272616741667\n3nq9,3nq9_610,32.52263738805612,164.28767057578094,432.7387254506166,444.20322445276076,444.20686791653156\n3nq9,3nq9_620,23.177555878323336,150.46299337451285,379.6788064511726,392.83269121147754,392.8348329849888\n3nq9,3nq9_626,11.905565651964132,122.56348035902097,273.79615905161353,279.09210772768165,279.0928218379691\n3nq9,3nq9_639,17.205799055488992,130.4262252077665,385.4029360801742,409.8674140767535,409.86837468166647\n3nq9,3nq9_64,8.957928486109246,80.08297780753675,139.48581931294012,140.41885282103138,140.41895863165732\n3nq9,3nq9_651,17.514445680191095,141.1047421421472,368.671095090758,382.1671201651769,382.1680119484234\n3nq9,3nq9_662,23.341917070012506,155.792407224881,332.90488912944176,337.3493642314741,337.3553614949061\n3nq9,3nq9_664,8.662029216460882,84.4712736847296,294.20414457298114,311.27904222543714,311.2802925299435\n3nq9,3nq9_671,22.24966042668963,173.33229716952812,423.50810960928004,444.7817797431244,444.7860839130378\n3nq9,3nq9_685,31.761406413990116,189.54845335729345,445.63019830838255,461.33400298820885,461.3375346034479\n3nq9,3nq9_696,9.094901131052996,109.73861002585906,305.39648125771726,317.4028541087888,317.4035683134151\n3nq9,3nq9_700,21.51402411674519,170.7129351656812,494.63023625865134,514.629155691525,514.6338761550361\n3nq9,3nq9_703,11.414520458143736,84.67219371597325,162.50635988899094,163.84235737803752,163.8424688946739\n3nq9,3nq9_706,10.239051430825974,102.16263029657335,198.48427804694495,200.62538661503675,200.62559277394945\n3nq9,3nq9_726,16.67126792863945,148.90192401748695,354.97730731770366,360.7532593394913,360.7589369238937\n3nq9,3nq9_770,10.637330420843467,103.49085548565671,364.2797719633954,374.22093697244526,374.22213573593075\n3nq9,3nq9_781,16.214690546289372,149.5897289403585,397.18647844641436,407.445079603385,407.44872180053335\n3nq9,3nq9_784,19.30491859067223,155.9544831920132,405.3779330318857,419.040065458402,419.04400460169467\n3nq9,3nq9_785,9.17726374855279,85.14695642687253,329.05039557476533,346.1445819987265,346.1458840451479\n3nq9,3nq9_801,10.590028455426355,83.75985089386458,174.20625647930345,175.53321863969052,175.5333285829807\n3nq9,3nq9_805,10.640128688181504,84.04719503939894,180.35607960336307,181.64939030196888,181.64949961989396\n3nq9,3nq9_83,24.329094229777326,159.43103876683747,387.4184156435262,400.96452066437035,400.96605182256394\n3nq9,3nq9_837,19.280636412904116,136.14261872100295,361.3898763138686,369.21329452909606,369.216762670284\n3nq9,3nq9_869,17.915141876965283,146.17431155663175,389.87239597481533,395.4973794493031,395.500925304866\n3nq9,3nq9_894,11.750792863458608,113.11795109595529,317.67002349958636,323.9714329998823,323.9724272151443\n3nq9,3nq9_899,11.346299510659115,84.8359821454882,177.35170601345385,178.4308775773935,178.43098880318394\n3nq9,3nq9_905,10.60995632644079,83.15646404738123,170.3544082429803,173.28939385027292,173.28950291266497\n3nq9,3nq9_916,9.362883885216934,92.00692158232677,192.22857033357005,194.57861613994584,194.57880455861968\n3nq9,3nq9_92,10.176234163345798,87.71897042015168,159.8834314635525,160.97200694504716,160.97211978493755\n3nq9,3nq9_948,18.647103561878275,130.50346467162208,318.0399310495925,323.9673243574234,323.96806139180285\n3nq9,3nq9_96,12.419706501645718,77.3983954086219,131.1200907601494,132.69616959576297,132.69625337909773\n3nq9,3nq9_97,33.279606150029934,165.41316743786086,369.06785678234286,377.255383563847,377.2582331152856\n3nq9,3nq9_977,9.937431026940958,81.75167474018366,160.34037070803083,162.7435994738145,162.743723420732\n3nq9,3nq9_981,16.075873309031508,139.4983778929875,354.16415516539877,363.93812708425924,363.94064946195704\n3wtj,3wtj_134,42.442492136301375,263.60910090816196,746.0710001781339,772.8616857471293,772.861706607264\n3wtj,3wtj_157,45.77546500702379,285.9582619204844,777.1891805633295,798.6915576433112,798.6915827885773\n3wtj,3wtj_184,43.71951378205756,280.47796809238724,792.8203848517389,809.9569496036565,809.9569760058321\n3wtj,3wtj_222,51.8101305371434,297.8906063258756,782.2252229122694,812.8689601647851,812.8689873194971\n3wtj,3wtj_240,30.660594007309843,204.446913810761,652.8351189253165,677.883728472104,677.8837443734946\n3wtj,3wtj_258,49.331195795924366,298.95784735774936,784.2290897740387,805.7879416437338,805.787968635021\n3wtj,3wtj_307,49.48102656813754,285.5780063495286,799.0651933407505,817.4192288365206,817.419248120659\n3wtj,3wtj_328,50.152323970834146,291.9331230410874,795.0020903990172,822.3812296668959,822.3812400350702\n3wtj,3wtj_4,52.203697117602,312.2430150328083,719.2764762196614,743.1903959597034,743.1904050899781\n3wtj,3wtj_404,50.09009463091462,284.6380153189187,755.0689012562838,779.6496502226933,779.6496719682063\n3wtj,3wtj_454,38.472940505759055,246.18467748525714,593.905574197716,620.9432707836621,620.943282938872\n3wtj,3wtj_467,38.52612084397108,221.31617864131,600.4999807797157,621.4602257734148,621.4602340456736\n3wtj,3wtj_485,42.54220447197135,280.2008622534945,747.2613190705229,768.1332891545819,768.1333000217562\n3wtj,3wtj_500,36.4302869886785,234.52898330727365,615.2492876236371,635.6497003521146,635.6497116523211\n3wtj,3wtj_507,33.514535327592576,235.2911064866901,675.8485318221263,694.8214898816699,694.8215270106674\n3wtj,3wtj_542,50.116268062095436,295.77677093818284,749.0883943883846,780.6066867222612,780.6067019366349\n3wtj,3wtj_544,53.42579577635316,277.8952528594335,707.5960955141032,725.1238884094261,725.1238992204134\n3wtj,3wtj_547,35.951819868584224,239.97289780499935,671.4261447853486,696.3161199515323,696.3161455044172\n3wtj,3wtj_566,49.686568356898455,290.832991028722,770.2703775888988,796.154791595237,796.1548068140072\n3wtj,3wtj_572,11.440067945882033,124.6423540978429,516.7008042720424,539.6808493567457,539.6808528671606\n3wtj,3wtj_615,43.00390078196617,286.1191610288201,729.2455204699262,752.044985576224,752.0450019486722\n3wtj,3wtj_628,35.43079267087381,233.5053293405989,603.2515791775278,626.0332137689758,626.0332312066694\n3wtj,3wtj_633,45.87902228968927,292.46376357325045,736.8425359705006,753.6326763642861,753.6326868645604\n3wtj,3wtj_640,37.297109271337135,245.00651692475768,607.8452618672013,630.3055002282622,630.3055135380887\n3wtj,3wtj_643,27.870865358991974,210.8390657955618,672.4683419219127,702.3991766487003,702.399204997006\n3wtj,3wtj_648,53.2219915727737,282.98468292220116,771.8443142059346,810.2452652501779,810.2452850058263\n3wtj,3wtj_653,46.43593897190768,238.6305002766497,644.6832691331784,669.4133275278767,669.4133394357311\n3wtj,3wtj_659,49.71885761534371,297.21023642018093,702.8276332481046,716.7186427534729,716.7186469247983\n3wtj,3wtj_660,41.425146253275194,251.43310380268835,762.3385451614868,777.2427671429673,777.2427776030189\n3wtj,3wtj_663,23.990827336663386,205.2364970989292,606.8244494422067,638.7731328157752,638.7731539535574\n3wtj,3wtj_674,45.224138259806594,250.15687510236455,685.9684090247171,701.9272632761961,701.9272757729257\n3wtj,3wtj_678,32.59412697489112,223.70412676490085,575.9275049948194,586.2402467773809,586.2402540459933\n3wtj,3wtj_682,28.743374639112506,243.06012664127164,678.9389120913297,707.1557671645866,707.1557843082561\n3wtj,3wtj_683,39.77203071487503,223.1200205449395,714.924197205163,732.0722886937546,732.072300201074\n3wtj,3wtj_686,22.116014519915698,170.36244587438185,537.0451568254393,552.9258701553457,552.9258901582499\n3wtj,3wtj_688,40.38170301087519,252.59741110693784,697.8711665499305,715.2347894886653,715.2348315491997\n3wtj,3wtj_689,26.030372666645853,211.88585436372736,636.7866348980612,659.733902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3,650.7759139100875,654.5951105428193,654.5951106046275\n3b65,3b65_531,80.62771291566732,374.7450459319757,760.7506659591589,766.8454327201483,766.8454328356354\n3b65,3b65_533,98.54785362229254,461.327233911049,830.7650862481338,835.6612970474345,835.6612970702447\n3b65,3b65_536,84.70527367433544,405.31342178080865,808.3611100027363,814.6193020570253,814.6193020676864\n3b65,3b65_538,76.70032374323411,383.29950971035566,788.1185482434893,793.4212041743084,793.4212041823782\n3b65,3b65_542,79.97367976631025,400.56636937548166,818.6474844487458,825.1309120751138,825.1309120800237\n3b65,3b65_559,77.63026842807659,368.93154933477774,731.6118445229894,736.3996573883378,736.3996575972988\n3b65,3b65_572,83.6955430348481,366.48549246479695,746.8976435394792,751.7392448618917,751.7392449923911\n3b65,3b65_584,72.45458660308157,376.8684779810161,723.3447711002657,728.1707112857317,728.1707114943385\n3b65,3b65_590,53.62402040432595,348.84458185139397,686.9953618370073,690.3820169409373,690.3820170235991\n3b65,3b65_596,75.27996633957045,422.8534309610074,813.0747127658842,819.1598071536598,819.1598071678285\n3b65,3b65_611,80.01617275511708,411.0808657697642,740.6003467205303,744.1818634364901,744.1818634776994\n3b65,3b65_625,48.43418310875786,339.5130065481475,680.1199036688412,685.2398879222093,685.2398879955053\n3b65,3b65_630,86.39958726483961,389.93761050528667,765.9764921685405,771.0882640711902,771.088264075117\n3b65,3b65_635,62.26821112379808,356.3120966718653,729.2049116333086,733.8181541544478,733.8181541653605\n3b65,3b65_639,82.72918537667408,355.8805204978926,823.851216440858,831.219448420665,831.2194484422246\n3b65,3b65_665,48.31682148703802,312.0892333250886,657.7181291705605,662.6818666082456,662.6818667374097\n3b65,3b65_666,75.93785933809919,379.9374305520381,786.0378607491992,792.2097106347803,792.2097108697731\n3b65,3b65_668,79.22956896103119,393.21922493659815,780.5905933819768,784.3641461163351,784.3641461261508\n3b65,3b65_686,40.991370115979315,317.861583208235,661.9538700226083,666.7930506238811,666.7930509381529\n3b65,3b65_735,63.698962268968344,352.4611106253313,689.2590512939009,694.1424746570326,694.1424749028216\n3b65,3b65_77,89.93807916170806,399.6474038291258,750.102268780263,755.483180992713,755.4831812574754\n3b65,3b65_96,77.56806622976524,381.02050734221524,723.1950996101009,727.3069252358285,727.3069255206872\n3pww,3pww_152,55.760143901853574,564.3471344346018,2132.5444793180004,2198.0443261681667,2198.045670255884\n3pww,3pww_200,78.85331271058745,662.7709058501913,2361.0237335494003,2423.379611389017,2423.3799317196635\n3pww,3pww_236,81.17848043267684,707.6572345934787,2443.545220676429,2509.371457245817,2509.373542969158\n3pww,3pww_256,104.72145093211225,754.7909733643029,2482.955226803098,2540.5480077904413,2540.549068316175\n3pww,3pww_269,72.85743533036809,663.1291675900061,2284.9700068703028,2338.7394618473804,2338.739536865348\n3pww,3pww_280,74.97569677738073,677.1392436823473,2339.8103826007314,2402.7573696629715,2402.7618041320266\n3pww,3pww_312,10.039561740382501,210.3405838325034,1481.8802352305797,1560.4232350907807,1560.4251792997488\n3pww,3pww_320,6.716308856514331,247.93092289427986,1520.5618727879478,1585.162644923186,1585.1740474838705\n3pww,3pww_322,9.997978960501348,243.97720088701664,1585.420942919864,1658.306863090771,1658.3087161210465\n3pww,3pww_324,46.51238954067076,505.834141097021,2135.0885437499214,2201.7168673535407,2201.7179580419324\n3pww,3pww_342,8.845785555059583,142.77376951329066,1242.4520771729356,1304.3183270533796,1304.3368164813908\n3pww,3pww_343,13.827857807025074,286.2990210233244,1549.0740857642822,1603.705734832293,1603.7226993666775\n3pww,3pww_364,76.11518995571312,606.8746656987507,2144.1245865637366,2199.7449637357854,2199.745294790558\n3pww,3pww_394,95.6626008735134,728.018834526461,2518.510998952045,2575.512613312001,2575.513486643902\n3pww,3pww_401,21.541054247465585,385.4656145565299,1820.583630699994,1889.163786820886,1889.1649737937278\n3pww,3pww_404,34.47484838869999,468.3716475040738,1910.602761849499,1971.4601360705612,1971.473935799234\n3pww,3pww_405,18.62919320083355,339.6313547813821,1658.675165192818,1722.7794016683772,1722.7826495152574\n3pww,3pww_410,35.338851120242886,432.66955298225264,1884.671685300319,1950.3344428542703,1950.3346420716807\n3pww,3pww_411,27.437401568487438,362.3682842754742,1629.8791163183596,1690.3101860454601,1690.311630713891\n3pww,3pww_416,15.7319562060141,304.4464394198317,1712.5600486733397,1757.285776521472,1757.2939699529395\n3pww,3pww_417,30.78145078973794,441.51141954189876,1875.352848307575,1930.0728882829058,1930.0829499887045\n3pww,3pww_420,19.10917484642376,368.3806167712382,1863.8219336096226,1922.6314218272362,1922.6335458810865\n3pww,3pww_421,31.549558685235514,397.8810858241952,1749.79092835184,1800.0415059147472,1800.0428838693686\n3pww,3pww_425,36.72550419449689,405.5578343547199,1855.4149924031105,1911.4184520981491,1911.4188000664988\n3pww,3pww_439,18.877269496780126,383.01469050373584,1800.3285107986383,1858.016176174468,1858.018281195839\n3pww,3pww_440,60.56674129780977,605.7681936673796,2204.0794875506635,2258.424072130537,2258.4299347889787\n3pww,3pww_449,28.35504643940568,369.1735572674579,1756.1138380872449,1829.7052967331426,1829.7089716412513\n3pww,3pww_452,23.699259858018745,353.5803934100512,1856.8551653459415,1932.8489473108098,1932.8570679488294\n3pww,3pww_461,12.562045745899841,325.94988923171854,1794.7664876413949,1891.8666238794021,1891.881598593829\n3pww,3pww_463,30.14343664775021,404.01786503127863,1960.563763080927,2037.5213444009078,2037.523601276145\n3pww,3pww_466,20.492050576217462,345.0878602361045,1733.2837947159135,1790.2177875712966,1790.2190761876996\n3pww,3pww_468,29.97287884106972,470.5976217468264,1892.100588137122,1956.2795446554583,1956.2854309239058\n3pww,3pww_478,27.898638118252258,391.25112234094826,1804.1494502034957,1852.2130947534977,1852.221242752174\n3pww,3pww_482,18.21965733851775,343.58679002332667,1689.1125813201998,1748.851837586762,1748.8531397668041\n3pww,3pww_484,12.231442558165153,360.023039944092,1714.9725402388347,1771.4428274042307,1771.4479852898342\n3pww,3pww_487,48.08776179857313,535.9009092823077,1991.0833748538448,2049.8655092297317,2049.865656058548\n3pww,3pww_489,13.000412198257596,262.35863337481754,1804.3713742876341,1869.2875997492417,1869.2914845599905\n3pww,3pww_494,32.05396840520775,410.8201451353772,1927.4178844701244,2000.6751487209956,2000.6786966489954\n3pww,3pww_501,11.93578111290676,292.581179780701,1831.5518618779986,1931.2800853284693,1931.2886532159962\n3pww,3pww_516,16.789345860947773,305.5189529069676,1740.7390109488701,1809.7455863091143,1809.752080173245\n3pww,3pww_541,24.643193518836892,373.7538985297727,1972.9140861551784,2057.4833927086256,2057.486598467901\n3pww,3pww_545,29.094885320091798,300.197374298483,1728.4561824483599,1831.3135320424428,1831.3183482004315\n3pww,3pww_549,12.127963376605582,295.3080784795211,1689.0316078851013,1749.8559106849098,1749.8564234283792\n3pww,3pww_552,18.737617118554077,324.4212591313985,1812.448475583899,1895.6706385768302,1895.672788364027\n3pww,3pww_560,17.201248406391507,278.4277540541444,1731.5817063197976,1826.1360726755743,1826.1382590578855\n3pww,3pww_561,19.76762559295065,344.5921656405574,1856.3369367220728,1952.3663467760841,1952.368582654295\n3pww,3pww_565,13.281054825653829,302.0888176602082,1727.8801656383444,1807.2421703172677,1807.2470089441535\n3pww,3pww_570,18.80893424221558,379.955700183417,1839.5515060638475,1887.6758249294332,1887.6774303278348\n3pww,3pww_571,6.324334671928855,218.29159774639555,1409.2788614369108,1468.6527422355575,1468.6554628115673\n3pww,3pww_574,31.423463782089662,402.79289459022533,2037.8493736892526,2121.12398662287,2121.1257680752387\n3pww,3pww_575,10.133287284803425,227.3198063260216,1637.2229432505478,1719.4587797713496,1719.4624664173896\n3pww,3pww_581,12.388101297334943,179.10379609809866,1341.990379606199,1419.6889632782816,1419.6909234572124\n3pww,3pww_584,12.776340806040922,238.74904046245902,1502.1581229898982,1580.8741821875926,1580.8779942590663\n3pww,3pww_605,31.343125421708553,287.0644683460303,1780.4697169985627,1852.3134081970559,1852.3149298429064\n3pww,3pww_631,9.89096190656384,228.88317627770263,1760.3570321110142,1870.2297903267338,1870.2349570363733\n3pww,3pww_635,4.654405299817212,197.93906543031827,1509.6444956804933,1574.9507424062003,1574.9556909833564\n3pww,3pww_654,16.15609817406017,231.54682016721517,1596.6006971568308,1681.4222787171439,1681.4276183700993\n3pww,3pww_658,11.274648018932828,261.05147088448155,1588.5400045402912,1690.8490802920137,1690.8523290553085\n3pww,3pww_667,8.597927451708737,177.3941266397425,1450.9719851744383,1554.4085916403471,1554.410461618011\n3pww,3pww_671,11.136927002346418,281.4790880145832,1703.6432796419806,1754.271623282226,1754.2749495250162\n3pww,3pww_678,2.343027607697508,145.0562004377613,1424.9911852922794,1497.595194757253,1497.5963157860335\n3pww,3pww_685,13.207186590371148,291.1379483902231,1625.6708036479224,1689.7393915483517,1689.741822842892\n3pww,3pww_708,58.047611812923996,578.0177964226046,2207.395898459934,2275.167357527078,2275.1676129409984\n3pww,3pww_730,68.52437860096641,664.0102594114256,2360.020048579072,2428.42598569525,2428.43080345217\n3pww,3pww_742,78.08727917444324,638.3882664693784,2309.1319925228213,2370.4752892366478,2370.4771023288204\n3pww,3pww_747,67.33899844643503,636.1565369859371,2278.0399584425368,2345.1611036581985,2345.1618744806256\n3pww,3pww_749,22.32055291620254,327.97304996172664,1780.9267858800224,1863.3410605004372,1863.3421237270095\n3pww,3pww_753,72.0067837680006,656.8752466566452,2380.3729287477777,2444.8656954401704,2444.865856703152\n3pww,3pww_757,57.332719385910025,574.7819941813156,2165.702569345207,2230.4092800196363,2230.4112165832225\n3pww,3pww_762,44.907492995858085,450.661145917038,2025.8148379848533,2096.5544660082533,2096.5583683189734\n3pww,3pww_765,32.68179347208932,342.76772561810685,1754.0438796044045,1829.6953174214996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420,7.325496165234434,123.34736000889733,655.9771809200676,704.3352521954166,704.335283535667\n3d6q,3d6q_433,5.672768000739575,92.18000893889584,589.3142263202735,622.5941726150112,622.5942124289941\n3d6q,3d6q_451,4.852786933173154,84.18365837066817,671.3644313663664,720.8553488044763,720.8553813102784\n3d6q,3d6q_454,6.707636450336235,101.85039051742476,610.1079959965759,662.4379763392519,662.4380591686144\n3d6q,3d6q_46,50.82259160776838,249.84049154634832,832.1947259914673,884.996143302269,884.9962150048627\n3d6q,3d6q_491,19.183309174457605,175.01875306133658,850.0297481142433,902.8706717409112,902.8706923036239\n3d6q,3d6q_498,12.35711755754552,113.0286354185471,692.6508992103479,774.7527030061996,774.7527353424507\n3d6q,3d6q_50,56.27067462587079,291.28311727557434,999.9685637431263,1046.873665384547,1046.873766738899\n3d6q,3d6q_500,6.2164418906710255,115.65872455654859,629.1411474031535,672.2587160691799,672.2587876418233\n3d6q,3d6q_528,40.55863382103761,209.13081878261625,856.1288863242455,892.7407809393357,892.7408409336754\n3d6q,3d6q_539,47.125816515734904,241.06612103024065,898.7957999842737,950.618195115728,950.618383650166\n3d6q,3d6q_546,22.242383752678496,124.78143022498381,688.4885811555986,746.908793461691,746.9088579759391\n3d6q,3d6q_551,29.28246572163301,199.95162260041212,860.7124052743876,926.4953878726059,926.495480908062\n3d6q,3d6q_563,13.112563190792342,102.77941146333394,672.4574506686774,712.7072470968778,712.7073159241527\n3d6q,3d6q_574,43.23871576848714,203.0261481309397,756.5059928531576,796.8390633740119,796.8391410200732\n3d6q,3d6q_581,22.600396255159016,151.97283189749137,692.4894782629742,735.092926493272,735.0929795834804\n3d6q,3d6q_586,18.272040499491997,122.79778135221765,675.565468354388,734.4100380975921,734.4100764530941\n3d6q,3d6q_592,7.741365160188315,79.99427655770178,639.7994880565968,679.2166137718804,679.2166274651163\n3d6q,3d6q_610,5.132538484420495,95.494941325854,669.7664606438046,713.6502559219041,713.6503346720292\n3d6q,3d6q_614,2.9045234412083567,69.49331916481577,616.8832477337493,664.8552435334911,664.8552747162419\n3d6q,3d6q_624,27.344752786413018,119.0615480255624,686.0843884240844,744.884709940216,744.8847803735931\n3d6q,3d6q_654,11.305774234650523,166.16510186462187,803.0316495906053,864.983267987267,864.9832816760761\n3d6q,3d6q_665,3.703010123395328,70.12287438098001,641.4109462539334,688.2358165048485,688.2358558644695\n3d6q,3d6q_671,21.031281675846,198.4746456510837,873.694947028077,931.0771132116739,931.0771323078859\n3d6q,3d6q_674,23.487433538976195,185.2602094342105,826.8941707888604,892.1930876074582,892.193186876464\n3d6q,3d6q_679,46.90502354747199,275.7884702661603,978.539002179785,1037.4148647030831,1037.4149842883924\n3d6q,3d6q_691,25.985427329066184,168.8028567345456,796.5403423251629,862.2041502950648,862.2041655438356\n3d6q,3d6q_698,6.878983098230699,91.64700114328254,685.0162115232181,750.3103992203359,750.3104491836872\n3d6q,3d6q_708,15.82389372233275,152.22330085831743,811.8495981421584,863.7885792914975,863.7885971909226\n3d6q,3d6q_710,5.955045914016798,95.97674701153433,647.606997395419,710.0212925395864,710.021316752187\n3d6q,3d6q_718,4.744376055092255,75.7261772579164,612.0538200976663,670.8738026113639,670.8738613354739\n3d6q,3d6q_724,6.564646607841914,121.92762284786173,734.4629824382449,772.571414852164,772.5714551406976\n3d6q,3d6q_726,3.4246674828875503,112.16289397271473,723.9966693519716,777.0496802952327,777.049688013813\n3d6q,3d6q_729,4.284390023113041,84.15061676175696,610.0357201797564,671.0294340885077,671.0294884053634\n3d6q,3d6q_738,8.055681026096204,151.07527258624717,804.8422958642597,852.97347427175,852.9734902782269\n3d6q,3d6q_750,9.672938228772953,121.42719566880118,734.7959537564951,786.7339882381802,786.7340357965052\n3d6q,3d6q_753,7.874684103714577,153.1094590434009,721.7935177713618,772.0531423537037,772.0531643614804\n3d6q,3d6q_754,9.766191761847157,106.08827246018816,657.9583851621596,703.173718340657,703.1737471886944\n3d6q,3d6q_755,17.99334902936659,102.24574309423889,623.6208275388999,684.3962244913924,684.3962573171156\n3d6q,3d6q_756,9.158959881847027,155.54881784178554,775.617215719931,831.4907699431602,831.4908418174404\n3d6q,3d6q_760,5.20296697270297,85.24578060362029,577.027001404703,630.9304722462836,630.9304816638866\n3d6q,3d6q_776,12.652480721834673,155.9602554837795,740.7243886004653,784.155453350549,784.1554883476356\n3d6q,3d6q_782,20.627885657694353,162.58959880660353,777.3376294955685,843.1024803888428,843.1025471920598\n3d6q,3d6q_80,28.528929994644244,157.56582037262189,751.0862887286729,797.9102889899032,797.910341512411\n3d6q,3d6q_809,3.972847703769339,94.37940770722524,658.8666971121119,711.2512691001541,711.2513084946745\n3d6q,3d6q_810,7.066856448677236,134.26824826775325,750.8872786627733,812.3704843416692,812.3704914638191\n3d6q,3d6q_821,4.396809751362155,81.51539292665976,652.6797756849481,699.1892695719079,699.1892761846641\n3d6q,3d6q_822,30.855946586275767,175.7034334744871,720.8030150047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101049329604614,146.83263953121383,397.9578923922741,409.7215127393873,409.72201723812253\n2j7h,2j7h_558,12.585316397894157,114.84081840698866,379.24294020043,391.7200177249476,391.7202844817985\n2j7h,2j7h_56,92.82228601432632,304.50243343399376,520.4843802086161,523.8262867541089,523.8268433300589\n2j7h,2j7h_563,11.264449458547183,114.60491463443309,352.72733231186174,380.4685707756236,380.4688722023027\n2j7h,2j7h_567,10.09401538535884,120.32801538908012,378.27176186572865,400.92272492969136,400.9231547514427\n2j7h,2j7h_569,12.806482541086977,117.97090776388646,356.538348261132,367.51819750546593,367.51867829730185\n2j7h,2j7h_586,11.338082397721351,110.22649801996056,363.4363226637314,376.0622393494449,376.0623096970916\n2j7h,2j7h_597,4.008173558480573,71.2627369032923,326.2427195687306,341.87422305170253,341.8747242487685\n2j7h,2j7h_633,18.231719494853227,137.41002430886962,328.5262622003871,345.33361662339763,345.33404813445674\n2j7h,2j7h_720,94.50258709566721,339.8390794152895,597.5936673123384,607.1122430364419,607.1128470830226\n2j7h,2j7h_721,97.66592762919088,336.9617903162892,581.4749837992448,588.2470732470639,588.247738130561\n2j7h,2j7h_727,29.754406018174574,180.39917642023983,336.08528809043344,345.2024887028601,345.2037063894918\n2j7h,2j7h_733,29.957883673776315,147.85912443511572,334.2779437423834,340.5062082427788,340.50681393921536\n2j7h,2j7h_736,23.623076452248505,169.1016400985862,349.22701664766356,360.38121476684876,360.3823577921832\n2j7h,2j7h_747,71.8950836507771,279.3458128502518,544.7971548797682,556.251173239431,556.2521291101934\n2j7h,2j7h_752,10.171397086829721,109.88837058613952,362.45864286963894,384.24528011294757,384.24566979123637\n2j7h,2j7h_761,63.22937204140963,229.93643308788913,474.83817924824007,486.8389217485227,486.83941830236284\n2j7h,2j7h_762,19.59523864666178,143.56600469320796,346.87996434452725,360.90234069769275,360.90269774803033\n2j7h,2j7h_767,11.382910203429617,123.42039862597565,319.27035383983895,335.65264173271686,335.6532595526704\n2j7h,2j7h_771,13.4697644031999,123.17259579116018,299.01835511350777,310.11404040519346,310.11483108574197\n2j7h,2j7h_776,3.261412535322529,96.26161220221705,338.47993366131743,360.6833917513079,360.6835512132607\n2j7h,2j7h_778,8.47023919209614,111.03221960884147,390.91038808231866,403.6834887711071,403.68383196501384\n2j7h,2j7h_780,23.059206891289843,147.16336559143343,429.34539409005333,443.7861941424055,443.7864033657711\n2j7h,2j7h_784,12.10102824810796,132.5563228742801,326.95305691055773,331.60917504552145,331.60996108407727\n2j7h,2j7h_787,36.83359085570244,224.47459423873212,470.59559285863776,493.22497246520675,493.225768714596\n2j7h,2j7h_793,5.88395273577438,117.18340455474998,320.3219852792378,339.0446882362725,339.04537960971277\n2j7h,2j7h_794,4.417627379060027,106.58207297197927,340.92868238598334,356.1205925186494,356.1208768202072\n2j7h,2j7h_795,31.82920123694952,190.99226535954995,462.9790080572487,486.5134400752642,486.51444325858176\n2j7h,2j7h_796,27.769214788902236,175.60500131092945,436.3929188595591,455.5940374490658,455.59526786118056\n2j7h,2j7h_797,35.55828757131155,169.51096483501286,378.1459233974929,388.02690278150993,388.0274495516561\n2j7h,2j7h_840,35.42513692801241,165.83164556062388,338.4341099865728,347.36118807223113,347.36175054420136\n2j7h,2j7h_861,26.299169125927833,148.913940696765,367.76801488329846,388.6607343928836,388.6619404918851\n2j7h,2j7h_869,13.993276249935626,115.32795265993815,371.37549913583746,392.1582301089069,392.15859690989845\n2j7h,2j7h_912,90.04605338343467,332.0247656917035,597.2661043673965,606.0635474053904,606.0642051169103\n2xbv,2xbv_103,71.80601270093506,393.045249719892,1373.3142642030566,1414.1377394058636,1414.1377475792772\n2xbv,2xbv_109,37.127177052853305,203.57081414036907,912.4797000133918,958.5359870043736,958.5359937267849\n2xbv,2xbv_114,57.22378645225359,361.96051983737505,1187.0135065278957,1225.3404492420775,1225.3436539289073\n2xbv,2xbv_119,63.195839856156844,450.50613179430025,1492.5757673330925,1533.9666655169442,1533.9681673171654\n2xbv,2xbv_124,69.33424833620913,416.6720313360409,1488.5654283619558,1538.0639582873612,1538.0661688529335\n2xbv,2xbv_136,19.024131468062805,145.67251169245847,764.456791909323,807.2971855992555,807.2971889607348\n2xbv,2xbv_137,74.940145223172,415.3884684532613,1324.373941456607,1360.5388318327582,1360.5388390214985\n2xbv,2xbv_144,32.93932375719095,203.84603283175403,845.3846700090569,879.8532683148392,879.8532739434575\n2xbv,2xbv_154,17.275119865942695,194.93047090829475,972.2338507426518,999.8398757015249,999.8437965428002\n2xbv,2xbv_157,23.66050808299534,219.21246861052867,987.8143605877052,1019.544467393884,1019.5449730845648\n2xbv,2xbv_164,21.878496504799294,209.7993627865263,999.403766025429,1036.7660225083107,1036.7675262842986\n2xbv,2xbv_167,36.05454059037704,233.63476443170663,895.2423394051743,926.6784891908242,926.6784955166003\n2xbv,2xbv_184,160.01388744029043,690.3852931488184,1758.822042975446,1797.4558625654995,1797.455871558078\n2xbv,2xbv_195,120.24187049649028,642.2769926277899,1664.8779727545423,1693.3084987814873,1693.3085236573013\n2xbv,2xbv_198,51.01972917085838,313.6048591551522,1037.9978416235253,1073.1152382097396,1073.1152501661352\n2xbv,2xbv_199,151.2099773892461,691.1200866364742,1715.975154757749,1746.059822500619,1746.0598307422774\n2xbv,2xbv_203,156.3325782441293,640.7206298921744,1678.9825614980664,1711.6524495275328,1711.6524581288643\n2xbv,2xbv_226,150.83916051558066,634.1183555761094,1685.9691359730298,1726.80329811582,1726.803305462923\n2xbv,2xbv_23,135.02062584839376,633.8238045905908,1617.0452545100068,1652.8196893615732,1652.8196953553188\n2xbv,2xbv_267,162.7101188891095,688.3983828283214,1771.6412188546612,1803.803694429363,1803.8037000572958\n2xbv,2xbv_277,145.93397173485707,636.0376487831098,1662.0857267739864,1701.2509412419843,1701.2509486447793\n2xbv,2xbv_293,130.35008310077532,602.8688936172712,1583.295409808029,1613.734635282385,1613.7346410072732\n2xbv,2xbv_302,138.08151071897592,673.0252184601009,1704.7357828393313,1741.313501353962,1741.3135185834778\n2xbv,2xbv_304,51.55038890062062,369.3385444826549,1449.6848862779561,1491.7273995272565,1491.727930937786\n2xbv,2xbv_309,37.828508778886956,261.12998410586243,1061.9104557130493,1108.6903301542889,1108.6903349288357\n2xbv,2xbv_310,39.29460875080411,295.28538825827405,1283.6840620608532,1321.8847873888924,1321.8847995383792\n2xbv,2xbv_316,22.95058560915679,276.7406985544138,1313.1477618624108,1354.9208244908536,1354.920962210893\n2xbv,2xbv_317,177.02130066696827,762.8611626112895,1821.3603712701513,1853.3915272600248,1853.3915371590324\n2xbv,2xbv_336,78.12345438226144,392.02396000158046,1314.9223388506177,1348.3785301922787,1348.3785453573735\n2xbv,2xbv_340,36.43538685716238,330.79410237809157,1112.8719169568187,1136.0245569310973,1136.0272082723752\n2xbv,2xbv_344,82.33085804729406,487.914435955032,1442.6129811183498,1482.831532609099,1482.8315488678613\n2xbv,2xbv_347,45.77764495981971,309.76967227242795,1261.8417848746246,1298.6985580656356,1298.69857189113\n2xbv,2xbv_353,78.36448528508735,411.20759212988554,1363.481369535614,1399.4653593109247,1399.4653653890452\n2xbv,2xbv_355,69.38286339154097,408.2784040102867,1405.8090841765445,1437.7080851253459,1437.708336989164\n2xbv,2xbv_364,37.11749117027372,284.9815775386879,1167.2211952597559,1203.5317371678643,1203.5321760752067\n2xbv,2xbv_378,171.68544309765522,731.5085678982565,1759.746657947028,1794.484762845544,1794.4847705760947\n2xbv,2xbv_385,26.770241617426365,214.3083211256858,1006.6887092966881,1046.506466512417,1046.5087356492422\n2xbv,2xbv_386,28.568935253655294,227.07907210090713,1056.1928192676266,1093.1063631291,1093.1067589565198\n2xbv,2xbv_389,66.26240267397048,391.5636673068192,1381.9148970546141,1412.0020170302923,1412.002588187296\n2xbv,2xbv_391,12.548611542566835,195.84639623472873,972.3087741246895,1006.7618574272458,1006.7639339479827\n2xbv,2xbv_392,151.8585035528287,721.1005525380268,1780.4221710494614,1819.6606102142757,1819.6606308671574\n2xbv,2xbv_397,129.4336555036077,645.1063490693502,1653.3182742868125,1689.141948711028,1689.1419631106517\n2xbv,2xbv_399,59.76593739983713,406.7761251438672,1403.1843281090505,1438.3477523949307,1438.3480641961728\n2xbv,2xbv_401,95.53549445911555,478.65567968545287,1358.9832776681226,1395.0627333946143,1395.06275029845\n2xbv,2xbv_434,86.22872815893278,482.0906642581911,1298.8064673747724,1324.7330186532224,1324.733023557146\n2xbv,2xbv_435,75.03094508174003,391.8571052040066,1475.5557881048849,1518.696278501584,1518.696317198976\n2xbv,2xbv_444,89.24482956397615,524.5650823554863,1508.7437500122228,1543.1621475144811,1543.162158389397\n2xbv,2xbv_463,48.17106432929967,380.0818997408369,1363.9640909736556,1403.3697358636741,1403.3703944115198\n2xbv,2xbv_475,107.00883117745184,505.7341958504279,1527.4039409883173,1571.4021359478832,1571.4021493641726\n2xbv,2xbv_477,116.56503547568056,575.1618591186088,1692.9230525761745,1727.5220194078333,1727.522300612032\n2xbv,2xbv_52,127.59670072608262,583.0932333233445,1595.283371668364,1625.7685440560474,1625.768550467039\n2xbv,2xbv_532,91.23382704083505,493.4689231918503,1403.5883881061825,1432.901427583756,1432.901432885513\n2xbv,2xbv_559,56.76340281231971,361.5151427495097,1387.8863658874711,1429.6132137369907,1429.6135494719795\n2xbv,2xbv_565,42.342847320248374,322.8186485904617,1259.6370973081825,1293.396091479992,1293.3973084511329\n2xbv,2xbv_746,83.90207296169973,433.3186553467223,1317.8647036943569,1368.1289700267375,1368.1289781646285\n2xbv,2xbv_747,94.41326003751576,458.23974460825366,1296.2575262500854,1334.6472988702476,1334.6473030328984\n2xbv,2xbv_752,96.16665737231564,486.26181509585876,1328.1273798739267,1367.9371638925247,1367.9371721532063\n2xbv,2xbv_753,87.72245030157261,464.4820725583986,1357.3574418092028,1389.7653969331407,1389.7654162723877\n2xbv,2xbv_754,121.20194924754108,552.420556090426,1562.3621731202293,1602.48405715178,1602.4840904544596\n2xbv,2xbv_756,84.80500683809841,456.4483799391817,1347.9192074490056,1388.871601071846,1388.8716102037936\n2xbv,2xbv_761,37.08444926141665,275.9673546453023,1032.6303196649374,1061.8091468261905,1061.809149697347\n2xbv,2xbv_762,38.771667066747284,292.76900769181873,1045.8884623512813,1072.2668799077476,1072.2668939764326\n2xbv,2xbv_766,123.08968199770322,650.8273936199023,1664.4152813725702,1700.4571358150565,1700.4571535877164\n2xbv,2xbv_769,37.07810003247168,287.7936441737354,1136.1603969021799,1161.510857538333,1161.512791817082\n2xbv,2xbv_770,96.38905969905709,503.9201209690386,1427.2802582541342,1460.417751574106,1460.4177856683586\n2xbv,2xbv_771,34.95978694655778,285.181114331257,1102.1499781758105,1133.5908646078306,1133.5931922410418\n2xbv,2xbv_773,36.49269389357455,276.8414041202507,1066.1515211774417,1095.2666810406745,1095.266683193722\n2xbv,2xbv_777,34.31023629486058,276.09842443503464,1040.3782914905303,1072.2675681113788,1072.2680777772687\n2xbv,2xbv_779,32.655438947516764,276.9851496570483,992.5903893780717,1018.3045944321431,1018.3046958773033\n2xbv,2xbv_780,33.61522469581234,333.8506418357633,1263.7620841353496,1298.7873963694876,1298.7874404565148\n2xbv,2xbv_782,97.16190410906135,508.30870235153196,1433.9594711460977,1482.8725475331214,1482.8725813583171\n2xbv,2xbv_784,23.95016192863865,307.68874843799557,1224.0253202997246,1257.052787039207,1257.05279999266\n2xbv,2xbv_8,137.9745512159418,611.406182704856,1643.2566548260586,1681.1259970090964,1681.1260029934933\n2xbv,2xbv_825,141.99092896010353,623.4292464825387,1665.5609774718191,1707.6175953203597,1707.6176015939884\n2xbv,2xbv_855,122.68474544533983,602.427850089587,1586.1037124127822,1623.1831293197506,1623.1831362881198\n2xbv,2xbv_866,106.4921714165713,552.5979755114473,1503.1284350180474,1543.3787778509763,1543.3788156164762\n2xbv,2xbv_880,99.17582400893616,511.99979779973916,1416.2149881715281,1449.1363645132183,1449.1363707615726\n2xbv,2xbv_883,85.38572540992169,438.1773345613488,1289.0535036369151,1325.5420132434838,1325.5420216524928\n2xbv,2xbv_884,82.57562022559644,433.64043069384275,1293.3728753150995,1329.565843639798,1329.5658542743383\n2xbv,2xbv_984,67.95260638247622,407.70961467194,1340.790803375972,1375.6724002649294,1375.6724089928498\n2cet,2cet_108,107.81580299783977,436.1151698622972,1135.8545206270987,1165.8675669843317,1165.8675879583582\n2cet,2cet_123,125.19889897620199,485.4346605480018,1168.8862999209318,1196.4915383615407,1196.4915561239904\n2cet,2cet_125,111.4320531076849,460.3689279870871,1077.7810153161606,1107.9354595106877,1107.9354770311327\n2cet,2cet_188,120.40488804948681,498.4321219401168,1205.928113652073,1233.8769356940793,1233.8770170296373\n2cet,2cet_313,132.20002435976738,558.3270513516583,1275.6629680231244,1301.4353898003692,1301.4354492533985\n2cet,2cet_326,125.15715716515388,494.9855711256988,1171.3548463998916,1213.102211277775,1213.1022303622055\n2cet,2cet_359,135.86593329121843,533.2477605373788,1204.1732697010325,1231.8167198817662,1231.8168590067899\n2cet,2cet_378,13.623392014882972,176.79552671601246,798.8662889144242,827.3988115231141,827.399489721445\n2cet,2cet_406,68.07063065145715,346.97983266905436,825.6775271956224,846.5128879555568,846.5128993313667\n2cet,2cet_418,4.341031427326064,101.99202281676108,652.3000425956817,679.5932439880868,679.5932685817058\n2cet,2cet_419,65.26040991930373,362.22405521236726,944.1131934722426,984.1940845244493,984.1941331898676\n2cet,2cet_421,2.986564922749396,97.65639544376256,662.4709580012961,703.0230395313382,703.0230536503514\n2cet,2cet_430,4.7654976455375975,103.91627614623631,771.4802147220662,814.0125154022963,814.0130762139956\n2cet,2cet_435,28.651481763347274,228.54213124750973,780.6308795750011,808.4257733424313,808.4258233458734\n2cet,2cet_436,23.50234051086371,253.2934271660736,796.6954998198366,823.0929019765235,823.0929331803176\n2cet,2cet_452,4.098196128626017,126.88349950487714,738.3665377818071,758.2965424324794,758.2973929233785\n2cet,2cet_457,5.6671637550318135,93.0264349901476,594.1397639687847,623.5750709926572,623.5750925873864\n2cet,2cet_458,49.0790711767308,284.1924078748893,739.4612485241273,760.1747437112796,760.1747676379941\n2cet,2cet_466,4.556982393658728,116.0132580741031,718.3717774216746,758.8722613228124,758.8733782057406\n2cet,2cet_469,5.712666769030696,103.23352955683158,664.2529495707428,696.5994001854825,696.5996374071478\n2cet,2cet_474,5.042126025715754,86.51862992183766,662.2595893094807,687.9367917164126,687.9368998399951\n2cet,2cet_478,3.0291734852008947,92.93168488198792,679.0889012580436,702.2970611608273,702.2970691538296\n2cet,2cet_481,106.25014852779822,513.1198829634238,1144.0519693784909,1172.6439591517212,1172.6439664146585\n2cet,2cet_518,5.269018715899388,100.00387316511213,695.8243868508454,758.8542056927972,758.8565436939176\n2cet,2cet_522,11.267644334337504,141.85565166250558,806.2302804615421,839.4240323559638,839.4243505152692\n2cet,2cet_524,115.03794411177076,467.386473669051,1138.4888818344352,1162.851824479826,1162.8518410907893\n2cet,2cet_528,3.056142367914559,119.97858849367049,783.6424601175881,843.6405592708815,843.64075127928\n2cet,2cet_529,28.31494871952178,205.30703096341625,831.6042133419294,865.5697211229115,865.5697941602476\n2cet,2cet_533,10.657666172434324,200.74122284542239,697.4812175781327,725.6982586623108,725.69830607637\n2cet,2cet_540,7.648080819999553,83.87934228432063,803.0232309542537,843.160106330869,843.1601282478376\n2cet,2cet_548,2.89833672288323,63.802913056860646,736.5829520497371,786.5387936600287,786.5388138764655\n2cet,2cet_550,2.482571460203679,105.30738765854227,763.1998433679166,814.9824008766738,814.9824545228051\n2cet,2cet_552,8.86332127140999,89.99261816717937,853.0893457211688,895.7487857605728,895.7496819008253\n2cet,2cet_554,3.9189115986580245,104.14432726402835,780.1722761464098,829.9310501022331,829.9323903785386\n2cet,2cet_556,19.573882983741292,187.82759751556563,855.4077264988805,889.4119562835019,889.4122171263365\n2cet,2cet_560,46.76631427313114,290.3605137880092,862.1652903690724,890.2202311097456,890.2202534321674\n2cet,2cet_561,8.430328777560177,125.64806944088312,683.3023142000613,710.7156149112643,710.7157067107929\n2cet,2cet_564,95.07047884728135,439.61226108717364,1149.9538546440015,1180.3875845924954,1180.3876175694966\n2cet,2cet_566,7.531907316407638,102.05695995545798,750.002768080621,782.070873570985,782.0733324148522\n2cet,2cet_567,4.611545644838796,120.84053770718289,855.3394598980708,899.1411898944262,899.1426798339487\n2cet,2cet_568,2.662016236991794,105.63268536711264,727.0988314580468,781.5830860339248,781.5832168306479\n2cet,2cet_569,5.522353850793782,114.68813591086885,638.3194554814062,666.2609084724933,666.2629918703128\n2cet,2cet_570,8.452441067845166,87.06660925996529,785.329356606129,827.2250717082485,827.2250747535641\n2cet,2cet_578,3.222655777702904,101.31769893435948,715.011993787429,744.8146467769494,744.8146593971996\n2cet,2cet_580,37.4271993241483,235.65939470949434,764.2253807465394,792.6967452488927,792.6967692978836\n2cet,2cet_581,47.78438328160119,298.03359679189816,920.367047658317,945.226024547454,945.226060984679\n2cet,2cet_585,7.778183660360691,97.90619260512153,807.041408275716,846.6149583259865,846.6149851081927\n2cet,2cet_588,8.993157567835578,149.7743909447936,643.8982978071322,675.6538308006117,675.6543457957608\n2cet,2cet_589,8.004472894269375,153.01450075667907,853.6718926810443,897.7986582662902,897.7987304439226\n2cet,2cet_591,10.722838000392482,123.06259824073986,885.3489973531794,918.8568476709288,918.8568752625632\n2cet,2cet_592,33.71270572645068,287.2523095827282,878.9735724329635,901.3013162555695,901.3013874218909\n2cet,2cet_593,7.127968920887396,155.57548955305646,724.6085051371615,763.5532076999641,763.5532574443863\n2cet,2cet_594,18.37634713777566,207.35720299341273,756.7993425134083,786.968871810176,786.9692210373396\n2cet,2cet_595,6.680642992213368,122.21958279624698,613.2569770790165,636.4167747374644,636.4168687304734\n2cet,2cet_599,78.9105840157407,381.50585536446806,990.2908178547932,1019.9926617060364,1019.9926918077456\n2cet,2cet_643,19.101620080813596,153.9088633628794,590.1962055613016,613.3012896677503,613.3013170339447\n2cet,2cet_656,8.021820442228865,96.27538942134059,603.7666185195968,630.4034412126612,630.4035085348316\n2cet,2cet_662,11.190110414982668,129.98237691656013,788.1381994806867,819.1730623814191,819.173904341248\n2cet,2cet_665,47.96590891730684,285.90578717800315,868.0006848351679,894.6863470169368,894.6863654721602\n2cet,2cet_668,6.155103047804619,154.9663534242739,784.1431119842799,820.9442693204749,820.9444835760089\n2cet,2cet_669,2.873836617113095,66.84370242215287,706.1182463654297,739.1204536121592,739.1204651657316\n2cet,2cet_672,13.849364509268739,139.97348856255536,812.6662804170828,855.8483933172738,855.8486064065063\n2cet,2cet_673,10.294488846615204,118.74463374233954,624.5158640249659,643.4774960216931,643.4786332836743\n2cet,2cet_676,7.9989472991153745,136.89176693731136,720.5253529974585,747.0059968534438,747.0069241974761\n2cet,2cet_679,57.372853621882136,314.43815784343514,960.4506735611371,992.9272229715929,992.9272495741295\n2cet,2cet_682,19.1168991535724,186.21236069582665,733.014496353223,767.6073120092292,767.6074473361899\n2cet,2cet_689,38.106888817955614,248.67806583407258,928.8414299780837,974.9216973223977,974.9217742580408\n2cet,2cet_699,11.845115953565703,167.332794830708,764.7430275685745,800.4427502234786,800.4428138571944\n2cet,2cet_722,112.25593781462774,436.1393163918193,1112.506831051074,1144.5356991965016,1144.5357108351066\n2cet,2cet_725,116.40617469477024,487.0848705304173,1177.6008503914495,1198.7691644395472,1198.7691915105593\n2cet,2cet_734,144.4555188521511,562.4784068688399,1248.9611779390852,1268.5774471189939,1268.5774765916983\n2cet,2cet_741,119.29726559842906,493.1924433665632,1186.0999792239343,1212.154707226745,1212.1547345942356\n2cet,2cet_742,117.78638860433689,490.195171942013,1180.7434279980512,1202.295916332155,1202.2959557073805\n2cet,2cet_745,102.007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982253556,826.5530478784549,826.5627463392769\n1bzc,1bzc_622,24.89751353620183,203.48129086629675,901.5968397080691,933.4620167703774,933.4678727044317\n1bzc,1bzc_625,68.47363897474735,351.2511270592638,1199.42896214969,1248.256265318466,1248.271756996039\n1bzc,1bzc_629,54.865061955074744,309.9786466695253,1004.1763233010173,1043.7845906085538,1043.80534145766\n1bzc,1bzc_633,64.88230700179125,336.0692088672697,1156.9380637582678,1196.2858673568462,1196.3007978775054\n1bzc,1bzc_644,19.883898379621485,203.48690207367744,876.7431295592789,915.3900906042115,915.3944267583694\n1bzc,1bzc_651,45.83160528728362,272.66216980899134,1009.1821844254908,1037.8323776566185,1037.8406393490159\n1bzc,1bzc_652,28.678099852395825,209.55251992916237,959.8881269322615,1007.594277156987,1007.6171082094195\n1bzc,1bzc_659,4.567139893667261,120.1743384501765,781.6779942785753,822.4562370671789,822.473498766907\n1bzc,1bzc_660,14.451391579022276,128.9174571460013,805.2875662943067,841.598730082333,841.6045577159551\n1bzc,1bzc_664,31.01444129172112,254.8161448546757,1039.3288319682579,1079.143963863805,1079.1603456162286\n1bzc,1bzc_666,35.21487875120842,233.78573034559548,899.6363870122369,939.232156576548,939.2473201925665\n1bzc,1bzc_669,85.8558303182556,390.5915363809938,1265.5780017291079,1306.5691432378335,1306.5936760337283\n1bzc,1bzc_670,16.658394944111738,176.76668074353225,876.2861855987325,906.1806130991112,906.1881555228002\n1bzc,1bzc_671,27.184951397198706,204.19599430747502,908.6583339839102,967.0979451227707,967.1088291717118\n1bzc,1bzc_674,56.88396270179269,307.5314259203825,1020.1249684869192,1069.6429647078398,1069.651120835594\n1bzc,1bzc_677,81.34652805578034,321.9681271637833,1099.4577121849968,1145.6966254773763,1145.7073612072834\n1bzc,1bzc_681,22.418028918981207,174.43882563015038,865.2026804862082,910.54150000331,910.5609319097167\n1bzc,1bzc_682,19.504742063178544,151.95976450646208,883.2712214514788,928.1404309600814,928.14589020258\n1bzc,1bzc_686,11.71249632780978,189.82914758844097,1035.8934419114316,1092.8281478869646,1092.8457147206996\n1bzc,1bzc_688,14.478406677849389,191.09804340011482,936.7586811012192,985.8402810789619,985.8547102697471\n1bzc,1bzc_690,11.960474431525926,168.48505067100373,827.6975295826845,856.4416882905466,856.4602004104908\n1bzc,1bzc_694,83.38154218706329,344.019141156233,1012.9131942136398,1049.673546409797,1049.6841875557895\n1bzc,1bzc_700,33.432601200007426,214.23633609163738,880.6773227282039,910.8678462171071,910.8792863527319\n1bzc,1bzc_709,141.20087112794852,538.1884151429288,1332.0364083422487,1364.4034333065647,1364.4200529913487\n1bzc,1bzc_778,47.28952040670501,282.81256495699705,973.3108002733618,1009.6938513422322,1009.704719732708\n1bzc,1bzc_963,120.86021273125547,467.5622059289912,1192.2065859768063,1222.382010903633,1222.4019294803943\n4lzs,4lzs_1,64.2847901302302,348.2415917756144,943.7744015073675,964.9723895377333,964.9735503929345\n4lzs,4lzs_154,51.37724200640498,304.49186256909104,889.8831998260804,908.6933529079087,908.69558018121\n4lzs,4lzs_203,28.83375909733496,192.47616585304328,681.8022511432513,699.0079951678247,699.0088017452277\n4lzs,4lzs_224,36.00754087699168,220.66408091904032,552.3006677535395,562.5826275883378,562.5852296462489\n4lzs,4lzs_38,60.30346013258904,324.21831956053364,914.8070478526369,935.9966978497329,935.9979194438765\n4lzs,4lzs_391,54.05896026450415,325.68949295639106,896.4656668637444,915.651071879928,915.6531412308682\n4lzs,4lzs_415,38.99077361774873,272.0563832058346,815.9732720778921,838.0446086022743,838.0464223047383\n4lzs,4lzs_430,58.70723846832236,310.09174611920207,880.3743943196639,907.94271384867,907.9435929811415\n4lzs,4lzs_442,24.847623358431356,169.56218609076646,580.9050643289705,592.9454244917881,592.9455532791826\n4lzs,4lzs_446,22.334318165373052,189.87844826207873,518.4235913325256,537.4690833814502,537.4695391358714\n4lzs,4lzs_454,28.906949848219284,227.0543231627636,762.3102706334618,788.258087776543,788.2583567030599\n4lzs,4lzs_456,30.787934820969948,200.5791254137434,576.7252128118679,585.2961074114469,585.2961956996712\n4lzs,4lzs_465,35.75306250509076,259.722235733125,607.5666464247996,619.2865527847035,619.2881902472586\n4lzs,4lzs_529,10.684284928611863,101.27392991624377,548.1576054739493,585.074303539604,585.074556533105\n4lzs,4lzs_533,31.885417632728256,213.15046096575276,784.9798523493879,816.407415005731,816.4084510966863\n4lzs,4lzs_550,43.70695541565421,244.03592849963587,810.5439145344102,838.6095391021227,838.6108610780275\n4lzs,4lzs_560,33.820139437520794,212.5629293954169,763.4055783925523,789.0910786935951,789.0914872203358\n4lzs,4lzs_572,33.09594657458288,225.99480801828517,762.4180701093898,782.033838044856,782.0346450214385\n4lzs,4lzs_586,35.13991477848489,216.519517327987,749.559530006728,773.2804181131897,773.2831411969318\n4lzs,4lzs_61,59.50640810856972,345.2128389396063,928.9486673108993,949.3757206777697,949.3770728215487\n4lzs,4lzs_617,53.795475048290264,316.6530105390738,887.1351519051293,910.830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32772,3081.924450519889,3147.7476672828916,3147.747696638015\n4gid,4gid_270,32.98638570009114,363.7872643407427,2085.6584578578645,2155.575039407402,2155.575085236566\n4gid,4gid_276,52.28413693662261,435.63300157304053,1972.5637418306733,2030.9607525277233,2030.9607575275884\n4gid,4gid_277,63.20303705063434,531.4999280957459,2214.155666696589,2275.424521800388,2275.4245583589004\n4gid,4gid_282,200.702103531963,973.3174506585065,2837.400378901732,2909.069207557414,2909.069277236267\n4gid,4gid_285,222.67422696611524,1104.3544832830999,3004.2101632019353,3065.765859809639,3065.765898775817\n4gid,4gid_290,39.65218562435831,418.4702600719494,2200.5322929387094,2266.182281063662,2266.1823129656545\n4gid,4gid_291,242.51485118668995,1151.439521687123,3105.367651471876,3182.0775081652796,3182.0775362416584\n4gid,4gid_298,240.47509000714462,1124.0259564107323,3032.123289304259,3102.830067817463,3102.830094226624\n4gid,4gid_301,12.361926199597653,172.77228733705135,1419.3944914754088,1491.032545226204,1491.0325518124184\n4gid,4gid_311,11.94651916597984,219.43537001193724,1662.9659852194086,1733.5426251841357,1733.543755405424\n4gid,4gid_315,7.89781164375585,144.38599347609636,1267.3098962445088,1339.1795075196098,1339.1803825337656\n4gid,4gid_324,31.06140902177352,352.08358987304774,1923.4547177679558,1996.3810154866455,1996.3813366208042\n4gid,4gid_336,249.1578919867997,1131.123921654905,3015.9063458294877,3073.450608692632,3073.4506352323583\n4gid,4gid_368,4.8162680865872,182.31118244788357,1558.299852328855,1636.1457643994756,1636.1468903169653\n4gid,4gid_372,1.6599700392568113,84.40439516552225,1080.9856114080121,1149.7531514324608,1149.7535549243303\n4gid,4gid_39,52.08673541034284,407.5108259216234,2041.0052791126623,2114.171891168982,2114.1719246369125\n4gid,4gid_393,8.103342352381512,164.45335912156781,1488.6166974007992,1581.7262343068287,1581.7266370847922\n4gid,4gid_402,120.2525593690174,752.921159357594,2421.9829276384917,2489.796897476957,2489.796914148653\n4gid,4gid_405,92.22593082249705,617.0896511323745,2236.4893604436797,2307.4926772518793,2307.4926855418803\n4gid,4gid_408,137.69123001767585,768.4357104694395,2447.3972625632955,2494.612214746284,2494.6122218329283\n4gid,4gid_412,156.38111000199132,780.7965622934572,2563.5555061458554,2633.2776797781185,2633.277701573226\n4gid,4gid_416,41.01237707879393,424.2770271365578,1855.3808064440418,1925.5066083534393,1925.5066199413404\n4gid,4gid_421,76.30930676749445,519.6807000953928,2189.163331928853,2261.946658613693,2261.9466647542704\n4gid,4gid_428,117.02477846779631,697.9053305682008,2432.5784006679255,2498.794815109921,2498.7948382694394\n4gid,4gid_429,71.41390932992773,528.0835658110138,2015.516526117574,2059.0018889110506,2059.0019366679185\n4gid,4gid_433,94.34081656889425,666.8185172814808,2432.6356122498173,2496.0372280924976,2496.0372430656853\n4gid,4gid_435,53.46509300937257,407.4172351253521,2139.838686604411,2209.3516362137157,2209.3521172436263\n4gid,4gid_449,139.85079621324806,804.0962650293802,2651.516291584195,2717.2693056239564,2717.269326102785\n4gid,4gid_453,88.9523156395187,625.7883771747811,2367.079686144284,2427.2652449513826,2427.265275641131\n4gid,4gid_462,65.41387294133565,516.2584799569585,2139.3177321289068,2214.550410888305,2214.550421081816\n4gid,4gid_475,79.85789310714712,544.865414084037,2201.0452836836257,2281.3154516965255,2281.3157826877155\n4gid,4gid_479,140.83035525283407,672.8684070639387,2539.5847736454957,2630.0241477091263,2630.024177202483\n4gid,4gid_481,58.027523777346765,518.5612659366192,2081.371993668414,2150.4719036446695,2150.471933463812\n4gid,4gid_482,59.24246716790256,469.46414727830694,1956.37846454154,2001.5193818237778,2001.519391352114\n4gid,4gid_483,138.0583630972797,697.7030470967218,2425.222181796375,2477.8835546796317,2477.883622384161\n4gid,4gid_486,103.45324751323965,664.9309351761407,2362.700969595399,2425.655779070018,2425.6561100786716\n4gid,4gid_506,33.05607120050692,311.123984914164,1960.6679588930085,2077.1677481409483,2077.1677909618334\n4gid,4gid_507,14.282962037910798,242.61708434530132,1602.2722128592377,1687.521863547473,1687.5220239565108\n4gid,4gid_509,15.082628879666556,273.5629612595259,1715.135185612448,1798.447684666648,1798.4476878970092\n4gid,4gid_54,14.802784270859696,243.23048836752153,1875.4810141510218,1966.4370923747722,1966.4371573667763\n4gid,4gid_577,56.24804008464552,354.97228952809775,1926.1520921777137,2017.0785247687347,2017.0785351337859\n4gid,4gid_580,42.45948296746796,401.5224779165977,2054.62566297842,2116.6964069860874,2116.6964168358645\n4gid,4gid_596,22.682718752292384,297.2190413894173,1942.920984861476,2030.4508785741234,2030.4509495967352\n4gid,4gid_625,8.82398565129362,197.11116144423292,1623.5812058336137,1727.306637435109,1727.3079958319827\n4gid,4gid_629,12.31292413449274,262.7155107565078,1768.8919281435055,1820.3898032845063,1820.3898181178256\n4gid,4gid_630,11.000183509926075,245.75615954155998,1849.2377789289947,1934.6574259178262,1934.657430283892\n4gid,4gid_666,59.526247808616986,474.10940379042216,2343.1235191798096,2429.5107596175753,2429.5107868591\n4gid,4gid_699,28.250293873147523,334.8368248804589,1956.3781861531586,2015.8580758198837,2015.858089522533\n4gid,4gid_700,47.582035312804486,325.87432122129724,1721.3452198716757,1805.7198070735274,1805.7198344654964\n4gid,4gid_713,106.99507320132867,626.4473888627183,2461.8768966488724,2556.7285673403107,2556.728600159169\n4gid,4gid_718,42.01932986394966,390.64516020940636,1877.2799683481844,1955.3302387182312,1955.3302926675142\n4gid,4gid_725,81.8613229645663,567.6149850687513,2396.159641419231,2479.7066477617755,2479.706668947594\n4gid,4gid_732,116.81722393865533,671.5414418714647,2440.2288681214036,2516.0298212474095,2516.0298528688977\n4gid,4gid_735,100.09701997039096,580.1058710338832,2268.418363941201,2336.7393167823643,2336.7398262571437\n4gid,4gid_739,12.96155688501112,236.73007623151105,1761.1078444940947,1846.5633383227823,1846.564239186998\n4gid,4gid_744,83.55699518251981,617.4005061047841,2341.204499745708,2410.346040875288,2410.3461595037843\n4gid,4gid_752,11.591103037869262,232.1873602776363,1773.1655643419601,1863.5806629484628,1863.5819191152004\n4gid,4gid_766,183.45898823900384,905.8813482268152,2757.4195672328533,2820.8262684209626,2820.8263600036244\n4gid,4gid_770,113.13410916665968,668.7854195670045,2399.222474925095,2456.828668189575,2456.828705458895\n4gid,4gid_78,2.238082630689883,120.04387178815611,1337.7307491221964,1418.19282896307,1418.1929632955942\n4gid,4gid_789,240.68016471179723,1108.596696566181,2977.197816654653,3041.574280856844,3041.5743036140316\n4gid,4gid_791,236.4557676280136,1113.706485669697,3042.9941738229795,3106.2116808895476,3106.211726647948\n4gid,4gid_792,199.00965315589727,1004.6345969632488,2863.3007840947494,2924.355483469207,2924.355561590635\n4gid,4gid_796,181.1841303489723,898.7773924566604,2710.778364700954,2774.303952821428,2774.3046383474552\n4gid,4gid_804,222.38932194495655,988.8749701661264,2793.597834835997,2848.8409772484465,2848.8409941993286\n4gid,4gid_809,161.00154172700675,914.5780212428962,2763.6957370022765,2835.767007361381,2835.7670317450575\n4gid,4gid_811,124.45953314761759,796.4640492649443,2704.8211874227636,2779.242893924367,2779.2429319968883\n4gid,4gid_815,123.76655738168085,742.6501177131937,2532.749860072601,2608.5202739188453,2608.5210755355815\n4gid,4gid_833,212.81589618670975,1006.977077948087,2903.2783839289114,2974.399125859502,2974.399147474379\n4gid,4gid_860,157.20972329455083,827.0716102663191,2649.698584480902,2725.0576576191493,2725.057675876037\n4gid,4gid_861,28.413352030420075,356.73483604929925,2088.362985179249,2177.009507622183,2177.0095240884975\n4gid,4gid_874,135.27461331956513,760.2938310086824,2513.153292130501,2578.7476094315984,2578.7478184328734\n4gid,4gid_880,120.24895866919037,695.8842521677188,2462.497850517368,2530.0619530753042,2530.061989642965\n4gid,4gid_897,199.9696941553343,963.7648773953043,2780.974774657303,2858.927581546497,2858.9276281175394\n4gid,4gid_937,104.80391164639069,701.308164369542,2453.0723980805383,2516.995656424839,2516.995795637036\n4gid,4gid_941,80.78054740872807,557.6110783182897,2270.115568200921,2339.8890568813217,2339.8890855665854\n4gid,4gid_943,40.42851833704648,425.3415618211736,1996.7436821072067,2077.0934722029942,2077.0951730278475\n4gid,4gid_944,51.043804971639055,427.6683684616075,1977.1411239908557,2063.1613374256794,2063.1642525387124\n4gid,4gid_946,27.43729537883719,361.68782457515033,1969.0628698232872,2041.2225165848174,2041.2235750447185\n4gid,4gid_948,49.13887263230983,392.2947772677841,1893.7050010772678,1967.9480121991562,1967.9481029993983\n4gid,4gid_951,53.310760104164466,476.4372300452922,2048.4248184338385,2115.6654505504257,2115.666487638078\n4gid,4gid_959,25.085540721668863,297.0373280203493,1750.8095972068097,1824.0625840036878,1824.0637354015523\n3rlr,3rlr_100,64.96081759403536,398.9162372723507,1219.5880520581456,1245.5335343792133,1245.5337781807802\n3rlr,3rlr_112,144.07892713012484,669.4746323096683,1480.8090518963077,1507.360196784722,1507.3603510274731\n3rlr,3rlr_12,123.89437698651902,683.6943262323957,1608.8073750057272,1648.9793548793673,1648.9799522984022\n3rlr,3rlr_148,42.41318693385734,266.269755821636,1102.7359044071839,1143.4486303102872,1143.448726795721\n3rlr,3rlr_167,152.3823111460288,661.591309360998,1493.5613922262494,1525.6953657036763,1525.6955262158863\n3rlr,3rlr_192,156.41156405703714,715.2471091583652,1665.798005089096,1699.740594613224,1699.7408526792037\n3rlr,3rlr_197,170.2929673269463,772.5378772064028,1686.7762996386505,1719.815814949415,1719.8161879102022\n3rlr,3rlr_281,130.38255089497704,574.0764585143044,1309.3903554129226,1344.0931441698235,1344.0933414997028\n3rlr,3rlr_335,61.95531778094136,363.1081965543411,1194.0270797965677,1243.027242852019,1243.0278597079646\n3rlr,3rlr_341,159.02247575529128,727.8504006893413,1638.5840785991115,1670.0033222601505,1670.0035434857516\n3rlr,3rlr_347,164.10818149353722,688.7509839043794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381.9093005664508,399.82303909066803,399.82411906164765\n3gy4,3gy4_593,7.024763291453868,84.05997731590813,366.2887142698665,386.93565614507526,386.9366037612529\n3gy4,3gy4_596,25.939642600146257,140.78500285193576,454.4756644913777,477.0365140508962,477.0373896956034\n3gy4,3gy4_598,15.461294929782,132.45882462768125,401.21601539937234,432.4762113144052,432.477335412888\n3gy4,3gy4_599,17.92842756663576,132.8441674340068,344.68586651129766,357.0646443197841,357.0657904655927\n3gy4,3gy4_633,44.150719359856936,210.36666605410295,515.4365596707976,525.9205641686117,525.9221775951752\n3gy4,3gy4_638,22.17527535534608,151.32949950818858,418.98201209489366,435.8869732181722,435.8878898484743\n3gy4,3gy4_643,24.916800323526125,159.12920950455444,392.663936422796,402.7507226391067,402.75162154085893\n3gy4,3gy4_648,47.937446716102855,186.69616088358578,388.53526625780955,398.3801056090987,398.3813602303427\n3gy4,3gy4_669,70.71989715572805,318.77795688168874,651.7816908235129,670.3736681418839,670.3748825712121\n3gy4,3gy4_685,45.061829926240506,203.7622591845017,481.05433064668216,503.7888792381464,503.78995182806267\n3gy4,3gy4_686,39.087167323212384,205.1001781590369,541.7409980085381,566.3711002716518,566.3727647492675\n2al5,2al5_121,76.76772541677988,276.54803723344514,416.39422479505146,418.7474675716443,418.7474675738697\n2al5,2al5_243,80.67719462793274,281.2499291773157,421.7206086553199,424.0705021308669,424.07050213157726\n2al5,2al5_26,69.13258836605895,251.26429929909958,378.21725601321054,380.85375582148333,380.8537558216831\n2al5,2al5_323,81.63619551059337,286.26905069623854,425.51940383552153,428.70000445260973,428.70000445363337\n2al5,2al5_339,79.23557924600934,283.97300891346725,427.3593695642234,428.7367488727254,428.7367488748448\n2al5,2al5_401,79.49389913927794,279.4432393280125,412.41790269962974,414.24394799666265,414.24394799722955\n2al5,2al5_406,69.87419646655108,255.52793456710347,363.5066127731959,364.89131576187424,364.891315768081\n2al5,2al5_412,80.57698037545634,270.2676670286976,386.93990014434564,388.97377202713926,388.97377203170186\n2al5,2al5_421,68.20332135478816,260.3727967164882,393.94578266290114,395.78358401314176,395.78358401344076\n2al5,2al5_426,68.0321179516819,248.33595270831668,374.7082154201782,376.7131316364578,376.71313163659573\n2al5,2al5_432,70.11036357366189,266.1949443097362,398.3933279566893,400.21567989622616,400.21567989677953\n2al5,2al5_434,73.8428657039397,251.65687652937424,350.26854268346017,351.7022419709525,351.7022419709771\n2al5,2al5_436,86.19152917878604,297.524843091327,432.69141680847105,435.1104661645211,435.1104661646259\n2al5,2al5_444,64.72365630657696,228.96620393359328,348.4718780962732,349.765640603837,349.7656406038369\n2al5,2al5_450,64.94409427407557,262.4531012569684,379.7941847342855,381.1624231622271,381.16242317084937\n2al5,2al5_463,68.38646254006053,261.5784681072278,393.26154235279586,395.53281744749245,395.53281744866433\n2al5,2al5_469,75.54695363611445,262.48283736076115,392.18851756188,395.7188661008736,395.71886610101717\n2al5,2al5_473,69.84441353888558,268.2898772882233,414.9570964578059,416.6437976273359,416.6437976273365\n2al5,2al5_478,54.23946541250874,222.88460608057633,318.97732659642804,320.8629731732777,320.8629731732806\n2al5,2al5_495,59.52273063738098,237.65976722508822,341.2725270931385,342.4078519893225,342.40785198932275\n2al5,2al5_496,80.67188046235893,274.4658630058546,395.7398979176942,396.96013552814946,396.96013553253357\n2al5,2al5_498,76.31200127257453,266.4370569060236,409.9497960573495,412.32651620840755,412.32651620876305\n2al5,2al5_500,64.16431393561079,243.10076634376938,375.67415635665884,378.12811654291033,378.1281165432382\n2al5,2al5_516,76.45610482797164,269.27997050428974,392.96942515311156,394.1481184204481,394.14811842534215\n2al5,2al5_550,64.20790033642889,243.21847801544496,348.8311419235294,349.9561171612596,349.9561171612724\n2al5,2al5_573,57.01957553967576,228.9717733076766,347.9090864348193,348.727521799292,348.7275217992921\n2al5,2al5_587,64.29011571405353,256.705759090551,379.5857198277069,381.4366172043614,381.43661720656803\n2al5,2al5_599,58.93367527463892,225.66999298125432,360.2945663977162,363.0972129921201,363.097212992516\n2al5,2al5_624,60.53437828095763,248.4243596146527,376.30788817587035,378.31643468564096,378.31643468568694\n2al5,2al5_639,58.8125574159036,235.39105980928161,366.3059298217325,367.9409859341877,367.9409859341876\n2al5,2al5_643,41.59612933041779,180.0874373551747,285.19725449193453,285.5833793393187,285.58337933931824\n2al5,2al5_667,46.88849083840105,193.6244828765115,294.5388664029588,297.4329599024358,297.4329599024362\n2al5,2al5_682,30.718681562737043,135.64028426968355,218.33040574820032,220.30982496301507,220.3098249630152\n2al5,2al5_687,53.276635930432306,218.1011276646025,320.0496981593308,321.4544674674124,321.4544674674127\n2al5,2al5_699,56.76101247453326,222.74748734720444,342.1100356021619,344.8295332527087,344.829533252709\n2al5,2al5_700,44.746870357212856,202.6076498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1269,927.5159828268789\n2pog,2pog_522,30.859665449743854,200.2697509432451,576.8455262910467,586.8886047260352,586.8886146208607\n2pog,2pog_530,29.110774650071164,237.041790343526,764.0208392838086,779.1457987666704,779.145892001067\n2pog,2pog_531,24.027369625440844,239.8398262323256,795.7539617633413,813.4212497605279,813.4214594122232\n2pog,2pog_540,37.424894044667724,280.48810876220534,814.8548639626224,832.8088504555787,832.8090874223592\n2pog,2pog_552,30.2057552465276,276.89226996287476,940.0945229592841,966.8497821821857,966.8501182424219\n2pog,2pog_572,15.830139035538954,220.7428678674825,808.1757130547303,833.3980366391014,833.3980487669432\n2pog,2pog_592,22.62894841459071,232.48690194376078,830.9766914419088,852.7052310941082,852.7053929843896\n2pog,2pog_593,11.551830631488183,221.5746635761166,861.2966825510254,889.7631689210274,889.7632505134654\n2pog,2pog_594,26.330278876343147,239.54176796905557,681.536707491112,688.5946640494765,688.5946727717613\n2pog,2pog_619,20.91304158025407,213.3259586570165,709.3510076001188,721.8702586835805,721.8703071845994\n2pog,2pog_627,14.896108410135882,185.25396839970458,654.239269596984,669.8969424894462,669.8969536762453\n2pog,2pog_652,19.174098034555367,207.90986544887343,647.0548230853412,661.3118698016176,661.3119427576746\n2pog,2pog_661,26.018394272871134,198.54727862489872,617.2756135660553,635.5693254132569,635.569331177172\n2pog,2pog_694,26.842819520911224,263.1794409285949,816.2798135840629,834.5316456727857,834.5317095832532\n2pog,2pog_729,33.983191392137925,244.2609077443965,786.0319962252049,801.61651049301,801.6166061829645\n2pog,2pog_731,33.2899696389207,278.4694105689623,872.9001852677909,889.6879381981829,889.6881184216638\n2pog,2pog_734,32.56662638743244,289.32542620955843,911.3564682124069,935.9348363136454,935.9351104051823\n2pog,2pog_750,28.482584214545664,251.25485906809493,838.6616182844186,857.1297980837422,857.1299253050844\n2pog,2pog_752,26.928081952788023,240.8235477118196,756.8394922001976,768.4928231811987,768.4928970953559\n2pog,2pog_760,15.151458702942207,216.12652028588178,842.9566491416897,876.049435500893,876.0495439793104\n2pog,2pog_772,25.2455057364014,230.01436880138274,789.6639476126551,804.0132881060897,804.0133831079406\n2pog,2pog_777,21.51719940414846,236.24335848488371,794.0580207158108,809.9159455477829,809.9159848710327\n2pog,2pog_785,25.163953360443106,266.0246701997162,885.4686382133945,905.0662974825209,905.0663672135363\n2pog,2pog_787,26.91132640576362,249.5858963576729,821.9816627156234,836.3627069542708,836.3628295591883\n2pog,2pog_788,15.452770488800013,199.49575869082074,851.8123346960896,885.1408068249639,885.1411087801555\n2pog,2pog_791,19.166808295019123,212.70496396052224,608.0001764925416,613.356631869242,613.356640885694\n2pog,2pog_792,17.68605566833009,228.81104254077763,773.7336311511668,789.2481516944928,789.2481696002227\n2pog,2pog_853,30.02001329124658,278.54275166221674,934.5785605595917,965.2047618232679,965.2051800157394\n2pog,2pog_856,31.30420349230401,262.68997821868624,842.2703500826246,862.6730481429204,862.6732401500932\n2pog,2pog_876,34.125991088604195,290.8754304647255,939.2259481319973,956.7020362106723,956.702389992246\n2pog,2pog_967,35.8790878231115,287.5397472168176,910.5221046345956,933.3844956877473,933.3847207616012\n2pog,2pog_994,30.208763829231863,254.9701289441137,824.0739625410257,848.5034250837421,848.5036270723389\n3gv9,3gv9_102,13.85059949270617,149.85637598128505,488.92965030738617,512.0834933508106,512.0873081261309\n3gv9,3gv9_124,38.74842545260428,225.31294874168526,619.8116113839011,640.5700357638912,640.5724903115428\n3gv9,3gv9_227,1.2707675758546695,53.78994110964382,202.40789200669676,208.55013119803323,208.55183220905013\n3gv9,3gv9_24,10.899676667201058,87.53379194073632,403.28214196806954,421.880334004892,421.88067522047123\n3gv9,3gv9_242,1.5120104440534814,59.42133482387065,259.9135546590994,272.29892819478266,272.3012836504441\n3gv9,3gv9_247,0.8796322121077639,61.07227237212837,248.4634852808972,255.89143835099486,255.8937635223584\n3gv9,3gv9_256,1.0369742144397316,51.177511272683226,233.8071926677067,238.71617912272688,238.71837449893437\n3gv9,3gv9_258,23.541283095724047,167.85687089191995,502.4855455125563,518.982409920286,518.9842561816863\n3gv9,3gv9_259,1.1523982064180298,54.34036219284753,202.98466297409024,208.21863740492302,208.21988497441848\n3gv9,3gv9_263,1.3025355343623581,50.261709619350505,199.91876336576416,202.80016039971156,202.80179889267671\n3gv9,3gv9_266,0.6831586658070358,52.28922452553834,205.44985569746387,210.9216336842478,210.92388071716056\n3gv9,3gv9_277,2.783998308691432,68.37878832360306,237.96440134189498,245.79346338117398,245.79492763734305\n3gv9,3gv9_281,1.6357103257825387,53.5935120141726,202.5452348857224,206.47592070640505,206.47752403922703\n3gv9,3gv9_285,1.2845886340089714,48.07966334770258,188.88859070959492,194.15786563520777,194.158948805824\n3gv9,3gv9_293,1.277157324728449,52.967387374973086,236.59838036410324,246.18319128416357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8368076049792\n4agq,4agq_41,26.40398235369705,160.51226343714282,785.1226679538622,834.2012117383008,834.2015413526669\n4agq,4agq_413,17.80860105658846,217.96066171345262,1133.7834913426284,1182.4618618956026,1182.461943834145\n4agq,4agq_418,51.079524489973714,305.36287880926386,1251.4252045652668,1323.9934120764863,1323.9937025223542\n4agq,4agq_419,16.03017169265109,212.2506138360533,1170.8301640349114,1230.1213583099611,1230.1213784894405\n4agq,4agq_421,27.03679216553942,248.9659995319186,1179.2444441191624,1229.9984483082756,1229.9988307856117\n4agq,4agq_433,33.9343828211456,261.15769878483815,1079.5588326672469,1114.7009919359473,1114.7010960015452\n4agq,4agq_442,55.53904776649592,333.2785423438198,1269.5747990897146,1334.2975680432196,1334.298019848619\n4agq,4agq_446,40.06976810224525,331.9316593846209,1240.9540189386398,1298.3308622688367,1298.3311984122404\n4agq,4agq_450,28.651435927782863,279.54829269520644,1226.9976225656494,1281.7451845326646,1281.745386274286\n4agq,4agq_452,21.94980500796937,257.43286537944215,1230.1108473614029,1279.8572793730868,1279.8573621056742\n4agq,4agq_461,46.6567924562949,324.4750858780852,1238.6224108615713,1292.3662009151942,1292.3663685278918\n4agq,4agq_463,43.15758508021807,341.56616178015446,1211.15134257968,1252.874352769572,1252.8747644567727\n4agq,4agq_470,46.9814686339352,309.9921734758837,1204.7807371601414,1270.5851840710557,1270.5863340131484\n4agq,4agq_474,20.943358702331707,263.2932056734277,1021.580225905067,1058.293645324913,1058.293740937287\n4agq,4agq_475,18.507787625486095,219.12027356938393,962.65582236636,1023.4043619243306,1023.4044927344696\n4agq,4agq_478,48.93991024812324,338.5873373863717,1415.6653279173797,1487.3388957340017,1487.3389448711152\n4agq,4agq_490,63.81120384386157,333.5719184200755,1246.6476611663768,1322.1824278465326,1322.1855236367671\n4agq,4agq_503,26.59667564078382,219.92375102224236,1100.8067020611572,1143.7226893974957,1143.7227417352058\n4agq,4agq_504,4.6251917162735685,108.45384604427831,716.721990620903,752.1562291745734,752.1562504518632\n4agq,4agq_505,62.65861287394731,383.6855127484341,1335.8007929684468,1404.8193018660593,1404.8197270654293\n4agq,4agq_526,43.59148385908224,268.2074362961222,996.7663076545564,1050.344198699271,1050.3442339819085\n4agq,4agq_529,78.0840187590762,429.3241826150068,1506.2910839903393,1584.7850948711775,1584.785168356351\n4agq,4agq_534,31.762528283973726,217.68870283610602,850.0033979272156,886.6208078286915,886.6251051450897\n4agq,4agq_535,65.2466668690796,342.63322047076366,1339.0760518779657,1408.2218294026586,1408.22230795141\n4agq,4agq_548,63.23921123531329,360.5187089231154,1214.5568300845098,1252.8578377133824,1252.8583036964094\n4agq,4agq_556,8.450132234221213,141.34807550273402,806.0681127556974,849.677981748527,849.6781414333111\n4agq,4agq_557,37.53647478811909,306.5411274706976,1208.3430885624518,1266.8581357511432,1266.8582915528302\n4agq,4agq_572,34.63794275609591,263.2553027634504,1122.5720124539796,1194.737371369597,1194.7374082019999\n4agq,4agq_573,21.00656828973015,237.31216925860406,1125.3046541617136,1165.43101080171,1165.4311493018786\n4agq,4agq_576,43.31903527855861,273.77847587165354,1069.122074665668,1116.4541967117204,1116.4542159509635\n4agq,4agq_580,17.829328788591607,225.39668181993122,953.614283919504,1010.0488209189325,1010.0505410461733\n4agq,4agq_587,35.34799484556784,234.9080640409548,1038.0790181341913,1087.3419101137742,1087.3419750434334\n4agq,4agq_592,72.92405372886172,392.7960795189882,1464.6644839330638,1539.0300164744194,1539.0300555306487\n4agq,4agq_598,13.401033817285745,223.77272086036896,976.5434622842575,1020.4820739666974,1020.4821176796685\n4agq,4agq_604,40.79999165528751,267.75904170819774,982.3684157812038,1022.6497501575061,1022.6509261778864\n4agq,4agq_609,64.19688881348249,411.40670193267067,1401.0950412017514,1459.6756840832777,1459.6757752370272\n4agq,4agq_62,27.255683494729315,177.95373589389988,838.4882336118088,871.5832540407584,871.5832653092823\n4agq,4agq_631,34.32872284031445,247.41134659755758,1008.0226057293444,1046.2396077778317,1046.2396356981692\n4agq,4agq_635,27.89513585954429,286.16321504722134,1181.7354618998106,1229.8435012857813,1229.8435263082315\n4agq,4agq_641,32.649980573471616,288.5302558115197,1281.3033742550017,1339.7316370876058,1339.731724224828\n4agq,4agq_642,51.56096368532496,294.17932305173514,1135.1502255669186,1202.3855309811256,1202.385623856487\n4agq,4agq_649,17.39180371634427,234.57667237160166,1141.1726094110343,1205.3050246905316,1205.3050963269677\n4agq,4agq_653,40.585271775488,289.3302274956651,1047.1487462965704,1079.4204762295376,1079.4206476633217\n4agq,4agq_664,39.276274120173184,267.8218872860571,1047.218254643215,1094.1770393360289,1094.1774390884398\n4agq,4agq_665,25.54248645793152,203.80243677514966,960.9394867404202,1002.0130754089037,1002.0130845309594\n4agq,4agq_666,42.61104616767933,283.63273578815677,1278.2479609770915,1351.487847768133,1351.4882272470227\n4agq,4agq_672,42.58258933582211,302.47388564500204,1241.7923839607047,1282.4808706810302,1282.4810952161884\n4agq,4agq_676,36.369456508247005,209.26557061362908,937.1546175962313,1001.7558394993255,1001.7558573770889\n4agq,4agq_680,51.35701733815064,275.52142851589207,1086.6889678526106,1151.9374862571058,1151.9394780609477\n4agq,4agq_681,59.175644225414196,392.9489519797216,1355.8304841236247,1396.719937939479,1396.7203079565636\n4agq,4agq_684,36.146394570006144,244.37043330548028,972.3022452139343,1012.796740815682,1012.7970835711457\n4agq,4agq_687,16.80101664800306,241.32460988778814,1014.7879863954821,1052.6970814316885,1052.6971015350177\n4agq,4agq_691,45.665006260599185,311.77230635786236,1178.2240922189785,1233.8571077564218,1233.8572290736597\n4agq,4agq_700,50.070969090709276,309.6365146991484,1057.1445532460314,1091.9885272691504,1091.9896959622456\n4agq,4agq_702,73.41820406568314,412.228097536977,1356.5834622267616,1394.902549632656,1394.9026378273816\n4agq,4agq_718,55.0898796340559,296.1556625517614,1195.100699458731,1249.4115606788114,1249.411831122796\n4agq,4agq_744,67.50333353322092,405.9788685823883,1380.3575643197432,1419.9013875422058,1419.9015851865115\n4agq,4agq_771,8.632791740697648,182.74200091588102,824.8005370280555,847.7206512773126,847.721768521346\n4agq,4agq_775,9.1071029599959,191.35721693587297,846.7849512858853,874.405449559927,874.4054873137288\n4agq,4agq_778,29.251588671927493,238.89411344780987,973.7505244370137,998.2217662596613,998.2217721169955\n4agq,4agq_788,4.970153525691352,129.0746027117192,712.0676378476477,762.0055317980797,762.0055415730299\n4agq,4agq_84,25.971953734076234,188.19379946521516,802.4467718477016,833.777751442977,833.7777542587816\n4agq,4agq_850,40.70191863925203,288.11830079281356,1064.4994161095449,1111.9100241389062,1111.910476981163\n4agq,4agq_866,69.15574289610527,405.3753708230646,1435.1168843652463,1464.0109971911145,1464.01135845567\n4agq,4agq_872,75.70796730970234,420.0872743622252,1472.6471236649595,1514.7175462178984,1514.7179372403818\n4agq,4agq_894,43.036541268432025,270.6560562562192,1048.2474480966619,1080.187197127794,1080.1872159621616\n4agq,4agq_999,76.83413884081178,424.98405526664044,1495.4103090158712,1542.0901364495394,1542.0903501796492\n1p1q,1p1q_121,79.26606531930592,323.9957311536006,482.4941515317878,484.64928458890154,484.64928458901664\n1p1q,1p1q_134,66.58310185504344,289.1088692766711,432.95375534655483,434.92231871346866,434.92231871346854\n1p1q,1p1q_169,77.3085861266199,315.02903048386014,474.4460855580411,476.8070508411368,476.807050841136\n1p1q,1p1q_202,65.01348653499285,289.3861760328737,444.7712336885441,446.4697957070003,446.4697957070011\n1p1q,1p1q_239,74.71158308509422,282.34148934698334,427.08426882453256,429.41465046368603,429.4146504649166\n1p1q,1p1q_255,72.9839225181385,279.70748390299343,423.31078954770044,425.38473354807945,425.3847335494808\n1p1q,1p1q_317,63.86538305026676,299.5821324048123,446.6263587168791,449.552978680446,449.5529786804457\n1p1q,1p1q_357,77.86233600005916,324.63413118597674,482.99529573856495,485.13105767969824,485.13105767969876\n1p1q,1p1q_358,67.59267666343142,300.9486934900331,455.81168959477105,457.2751150427192,457.27511504271973\n1p1q,1p1q_394,82.63368782924647,326.60596338221046,489.4963028347098,491.2511125826852,491.2511125826843\n1p1q,1p1q_411,75.6904283078047,300.85437933832526,462.337133159996,463.4234091741248,463.42340917412434\n1p1q,1p1q_412,69.41192827897164,293.2465402225351,452.9972932920809,455.2954047805034,455.29540478050393\n1p1q,1p1q_544,61.81111024759316,286.1809481876431,444.95184477161456,446.63446678896855,446.6344667889691\n1p1q,1p1q_559,66.59707376800402,282.39860735377613,438.81933404557634,440.91099598174327,440.9109959817437\n1p1q,1p1q_560,63.33005504985609,301.01712867844344,465.04927843166746,466.4716592211888,466.4716592211886\n1p1q,1p1q_570,64.59680228664683,277.8352350944592,419.5883031141167,421.45898539002553,421.4589853900285\n1p1q,1p1q_574,22.445783513005935,187.40477060618255,262.1302380328917,262.47049944859356,262.47049944859316\n1p1q,1p1q_578,21.875968398317887,178.70526122857632,250.51898474298193,250.83104462686381,250.83104462686387\n1p1q,1p1q_596,26.019596555946762,177.33579139664468,269.04947770075285,269.413957170747,269.41395717074676\n1p1q,1p1q_603,58.76916988578524,275.1209761136824,410.94960223734444,412.9314212193291,412.9314212193296\n1p1q,1p1q_604,56.15745329239466,231.75343454022598,370.0154443874651,371.0282757176634,371.0282757176626\n1p1q,1p1q_614,59.174679591729124,284.76192106877784,438.5799612149973,439.63809816132226,439.6380981613214\n1p1q,1p1q_636,59.729647453134305,273.8929570300238,425.48334939229085,426.906983851466,426.9069838530908\n1p1q,1p1q_640,20.946917257887616,168.33266574560804,260.1801290651642,260.641300813803,260.64130081380335\n1p1q,1p1q_644,58.55381901458249,257.244107937045,394.15474278101374,395.59928339227946,395.59928339227923\n1p1q,1p1q_646,65.206742562806,281.621679754378,434.59748624117225,436.2849997401865,436.2849997401867\n1p1q,1p1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w4o_413,39.00553087292872,238.82915790278727,805.8030563982122,855.55178802523,855.5744594877872\n1w4o,1w4o_415,54.73413806178242,289.48609985057647,890.0089171360644,915.2271453312665,915.2497815949548\n1w4o,1w4o_424,23.16569312232851,173.47973868919328,786.7068718211067,832.0643481410323,832.0884023538431\n1w4o,1w4o_426,21.32798241988971,180.84348301622418,729.9310931094275,766.0460035419375,766.0648188136395\n1w4o,1w4o_435,65.88728035681714,284.104418986063,783.1359089437194,809.8096545723224,809.8326326020316\n1w4o,1w4o_438,46.30972300558981,226.8591158106315,760.6907441603325,800.3597654665333,800.3742398922327\n1w4o,1w4o_450,41.581439761582104,226.14325270904763,766.8345580410706,815.4049451351627,815.4341974830184\n1w4o,1w4o_456,54.85756527009386,284.7059304706877,782.8385941331527,803.5246726679317,803.5491950760343\n1w4o,1w4o_480,44.69710962747901,215.9763397544825,737.6793709011355,779.7249798851931,779.754145385835\n1w4o,1w4o_498,54.419525545621994,281.9362387510207,831.9757787605487,858.312433783799,858.3394244628165\n1w4o,1w4o_509,32.58005241223823,180.13709104432562,636.8824756863714,671.107567568484,671.1242109080771\n1w4o,1w4o_521,71.44068589960206,349.67999483962734,953.7836442949819,980.9368524008623,980.9609041066035\n1w4o,1w4o_532,23.56042942903027,154.53855590854988,655.0534531312812,686.4834052033117,686.5068561326433\n1w4o,1w4o_541,37.44400534179696,201.90699518300008,664.4499755094631,702.8451130850938,702.8579558959318\n1w4o,1w4o_542,49.92948014469458,266.8149698981703,897.040025421819,948.8071277122991,948.824851824273\n1w4o,1w4o_549,29.021500217096577,171.43493817084564,635.6503721087142,654.2573890664148,654.2754010168702\n1w4o,1w4o_550,31.743263187073705,151.79234331798884,569.5769459427162,603.9000167519146,603.910167767891\n1w4o,1w4o_572,7.9855021813701885,130.76329782092034,634.7905343289673,665.7042980508869,665.7241641280915\n1w4o,1w4o_573,19.37808088890341,145.0444756912038,647.4333970757789,684.5182934043204,684.5409086773041\n1w4o,1w4o_585,42.20443640360595,218.69762077503015,796.9089984445909,843.4129625400888,843.43928325166\n1w4o,1w4o_596,46.96904640895294,228.34976005689558,813.1391806965695,838.6407413068579,838.6677397859434\n1w4o,1w4o_597,65.15113232841584,326.92433683235043,898.7828896181377,929.6651336567598,929.685300500529\n1w4o,1w4o_602,48.748734599156414,249.53442549298413,797.301880692659,820.8356725722205,820.8568921066011\n1w4o,1w4o_606,62.60390397599416,314.762391491994,918.4893545958527,956.2807529840201,956.3007923604798\n1w4o,1w4o_642,38.84710424342863,202.39831933212596,664.1227126093893,690.6751231387483,690.697154164964\n1w4o,1w4o_655,19.062584818626213,129.90422643090392,609.1715266603927,653.3013494840857,653.3176650658651\n1w4o,1w4o_658,15.30847052236323,133.86815886856434,619.7702750562911,660.869856145576,660.8925022779864\n1w4o,1w4o_666,8.408830837716609,97.85615509624638,596.5493795244978,653.554309320718,653.5641778697316\n1w4o,1w4o_675,32.005277107035745,223.53084716275663,791.1057685011322,824.2165485702418,824.230884740961\n1w4o,1w4o_679,23.783166596421953,161.0201992423972,594.1749899133728,635.3930887961318,635.4029990172693\n1w4o,1w4o_692,17.628533676100634,155.61126014012194,617.9315528715485,653.092347863426,653.1192147515962\n1w4o,1w4o_704,55.05607722380545,281.7945455654225,880.0046901969928,917.1601497374076,917.1827800910245\n1w4o,1w4o_741,21.144144806719375,121.66251135040167,605.367012265562,649.4246959405424,649.4493368792521\n1w4o,1w4o_746,8.38282604952736,104.01405495196838,599.7573460139444,629.9136555455394,629.9258630262846\n1w4o,1w4o_747,14.179951986985445,144.59488271927358,633.2846085017243,661.1275033741116,661.1578719120191\n1w4o,1w4o_748,14.549278119897398,159.11881248302922,686.136691083258,727.8199687208963,727.8436160615191\n1w4o,1w4o_749,30.529659096321822,225.54097690885757,808.9193007091445,841.8000697473105,841.8274919061752\n1w4o,1w4o_751,32.222918036178534,227.0945077471852,811.5039908648258,838.4700100447351,838.4936574864246\n1w4o,1w4o_752,18.29232289281719,141.79392350093588,676.1904509570783,706.2105772935051,706.2341549415195\n1w4o,1w4o_754,19.38820081154326,165.19844177284156,722.1336165049934,747.1678640201319,747.1925503710983\n1w4o,1w4o_757,51.8933368625082,291.0306868479922,889.071616656541,922.0377974056121,922.0605735102629\n1w4o,1w4o_761,60.22605102789914,317.3791849012327,935.8336279543603,957.3888269979559,957.413422988513\n1w4o,1w4o_762,36.35600287579046,227.5750064721262,778.9271959654908,833.8408116710891,833.8692965791181\n1w4o,1w4o_788,18.763778976684772,166.93394835047349,780.8978899833762,822.794219308853,822.8176393626876\n1w4o,1w4o_804,29.222317083840444,242.6627474612893,843.0060499284108,884.6204732489635,884.6438526214564\n1w4o,1w4o_827,12.211734253678282,140.5848235296846,614.4284153694203,644.8100382651587,644.8389868019127\n1w4o,1w4o_829,0.7987578228963736,64.72330709232062,555.4914573794875,598.547313179433,598.559155586494\n1w4o,1w4o_833,44.92239540524091,256.0629568125845,849.3072549244722,875.4230532383922,875.4491799173202\n1w4o,1w4o_841,11.313838070391197,143.11097370723235,755.9828074281811,814.6150183388044,814.624597837888\n1w4o,1w4o_844,31.08635022914706,205.53837514419953,705.5157525276107,741.6064680821531,741.6308361652528\n1w4o,1w4o_846,3.2198867388887757,82.22855472834199,595.099830761455,641.027897104433,641.0398730424026\n1w4o,1w4o_851,26.37376108805654,175.0175182820544,695.6849545130193,726.3756438294224,726.3993126262296\n1w4o,1w4o_854,33.45636499110029,204.6360800533775,829.1896949591603,861.396036077769,861.4202001058288\n1w4o,1w4o_856,16.097217974557864,155.65237682453443,721.449153455755,763.5454607312552,763.5699794518417\n1w4o,1w4o_859,29.719650183737873,153.45336377315215,675.2101334201006,720.4937569945066,720.5223209560995\n1w4o,1w4o_870,57.32500257286146,303.19199498926037,899.369199206891,934.2347276528347,934.2581447004429\n1w4o,1w4o_917,61.02709916917891,308.6783593185419,899.3943631152304,930.5861468545277,930.6125580288019\n1w4o,1w4o_928,69.33839010401879,316.6226400617622,909.844032655226,942.371964148515,942.3947716961281\n1w4o,1w4o_940,33.3164983334972,195.63216682340587,727.7746941967139,758.9121594876365,758.9363894635594\n1w4o,1w4o_960,38.588945181058115,205.71944285338733,749.8980825684304,780.3742986107936,780.3990872684009\n4ivb,4ivb_142,224.74462240629717,936.06440959576,2116.054401317847,2180.440823207,2180.4412108014035\n4ivb,4ivb_253,222.72971971555802,940.1543012999236,2121.529529230861,2167.2915514318183,2167.291986783684\n4ivb,4ivb_423,86.26703412179053,434.5180614161858,1134.1730156656806,1178.5960565532882,1178.5963025202268\n4ivb,4ivb_425,159.91246983087723,746.1706046986927,1833.828156674052,1883.5715795318067,1883.571937636857\n4ivb,4ivb_428,58.714082404862914,353.7948949351351,1042.5586581640762,1077.596238835318,1077.5964733461337\n4ivb,4ivb_429,145.77594991822758,622.5756724002295,1530.2197075786771,1581.589363121614,1581.5897426063075\n4ivb,4ivb_436,62.3825678080647,342.5374599768803,946.4386603844948,969.1735945751858,969.1739425556722\n4ivb,4ivb_439,136.46552998983924,642.4189152468335,1617.8650705236748,1657.9659112363222,1657.9662134702999\n4ivb,4ivb_441,122.14750113875773,490.75185769786896,1261.3712236702336,1306.1224620316118,1306.1232030006895\n4ivb,4ivb_442,91.84572175529979,407.2196454704993,1123.1458113776387,1156.470888800997,1156.471196348702\n4ivb,4ivb_460,157.20316095284238,696.554705913789,1743.6956894408052,1802.5230557593256,1802.5233324419214\n4ivb,4ivb_468,126.82259803741546,569.6370634692855,1603.2939617764166,1658.8158165817456,1658.8161633978825\n4ivb,4ivb_477,80.97660989086049,380.43484903847354,1038.9466499468897,1075.1329263331322,1075.1331782680654\n4ivb,4ivb_479,73.07383027352886,385.354327996164,1155.7549332744943,1218.1265494121067,1218.126772935518\n4ivb,4ivb_511,10.257277703039014,137.41697791247728,813.581179385654,860.9708663791038,860.9710990936941\n4ivb,4ivb_525,13.81300295895933,156.17542075338636,889.4397658984467,941.6313683744941,941.6319733290798\n4ivb,4ivb_527,35.838971181107716,215.66974576149076,922.8356457620554,987.6462579659423,987.6467190310777\n4ivb,4ivb_539,18.258846174026452,186.48331181570452,933.2840047230201,981.1314258894821,981.1322457379334\n4ivb,4ivb_547,14.828078980505135,148.73802000477312,862.9148026538021,920.4529851171031,920.4538101709185\n4ivb,4ivb_552,187.0666400339222,882.5573464469743,2059.7930755689263,2124.74677780862,2124.7472364722134\n4ivb,4ivb_561,15.155754558414678,122.88188362671707,738.4070497167385,790.9477571064422,790.948642308922\n4ivb,4ivb_563,61.034665274030814,411.4614170363093,1191.22261631699,1230.330230165512,1230.3304944998533\n4ivb,4ivb_565,14.574132071901076,181.09112398585216,968.4560891787561,1011.0175327009871,1011.0181909154791\n4ivb,4ivb_566,17.93008066963761,179.946888226027,898.6689401637487,944.2462657170438,944.2481276585279\n4ivb,4ivb_577,158.7981840059568,616.3288876579599,1605.0836892669693,1663.815518765491,1663.8165687022054\n4ivb,4ivb_585,65.14098274748483,354.891604328148,1101.5904101985755,1166.0878883848438,1166.0881209852625\n4ivb,4ivb_586,17.712679057659166,235.71204886927737,872.0728540226352,906.5841078241933,906.5843387969493\n4ivb,4ivb_587,92.04569797981245,504.7962331092258,1432.0679695535284,1497.4976477772975,1497.4983425266214\n4ivb,4ivb_590,18.18960865700176,150.58504224416336,902.5394310768304,944.9197329152375,944.9200492133895\n4ivb,4ivb_594,63.027729779382774,370.03853775528984,1080.3965398334565,1118.2470273065624,1118.2473160306638\n4ivb,4ivb_598,18.836838303597208,221.76627604983193,802.0566121798623,848.2941091790287,848.2942592129219\n4ivb,4ivb_61,173.63906246019184,728.1699078019933,1711.067751231154,1765.1751824359326,1765.1758175509224\n4ivb,4ivb_615,94.74172733921294,501.8159223752916,1438.488115383071,1501.3699648660593,1501.3704817159148\n4ivb,4ivb_620,22.984078470692474,173.76293993975423,943.931372429938,1001.219695104163,1001.2198895308715\n4ivb,4ivb_625,20.478628443165427,216.75700456820408,1021.1090988455734,1070.8629763686915,1070.8645045593566\n4ivb,4ivb_637,75.98055218435614,399.7883588194624,1164.348038272154,1210.4620961449912,1210.4623802120852\n4ivb,4ivb_649,25.599568987159042,247.78477597555099,863.6446834563437,893.48105072097,893.4811858108916\n4ivb,4ivb_661,50.80282443017358,317.87200798221966,963.2644134194148,994.6964898569412,994.696647550649\n4ivb,4ivb_664,8.698157831128988,152.7820168565801,870.1559796432506,905.2533942880456,905.2545169560022\n4ivb,4ivb_666,104.23372734129201,447.68156228822124,1301.6190783525708,1366.1517528927084,1366.152026863216\n4ivb,4ivb_671,102.42209743427853,449.0212972591398,1269.4579403324856,1336.8533320859044,1336.8540318865964\n4ivb,4ivb_674,44.39426201790638,289.03103961033696,1004.7764691439228,1049.5982913768173,1049.59845874198\n4ivb,4ivb_734,174.12580481410902,801.058210562638,1848.3106359251785,1893.045169609126,1893.045421226787\n4ivb,4ivb_741,55.01899332922308,349.57156480530153,1140.9404939355952,1196.6347583930412,1196.635403657964\n4ivb,4ivb_747,21.56778922551442,221.5819084900974,1016.7383328607382,1079.2390731807373,1079.2408169485127\n4ivb,4ivb_748,17.59002734228133,151.5053799106341,862.8671457599125,914.6561290737551,914.6585276865064\n4ivb,4ivb_750,14.270002370341293,195.53961935146575,978.1644564952502,1043.6363589858054,1043.6366949138887\n4ivb,4ivb_752,30.448822457401228,277.44909882014144,989.9274716975937,1030.8200040152938,1030.8203245123714\n4ivb,4ivb_761,93.28613282931009,458.53338514279983,1253.55160607025,1289.7144621834148,1289.7147485585213\n4ivb,4ivb_764,13.576691570006538,179.4756270695266,987.5539363699579,1053.5389083911505,1053.539580066401\n4ivb,4ivb_768,38.9008824917231,294.5092262694578,1018.5005343608981,1055.8994909439075,1055.8998652683686\n4ivb,4ivb_769,14.910962862327374,182.79319613506476,931.8209224383457,1016.1137880370793,1016.1144619326558\n4ivb,4ivb_771,26.778832473770404,246.84860196543568,1010.5816581571374,1066.4340393467605,1066.4345347328842\n4ivb,4ivb_772,13.946530862825355,174.01853417523708,954.1046208231969,1016.6998570018117,1016.7015766931198\n4ivb,4ivb_773,56.46112287724419,293.9900276406567,1016.9950431701318,1069.412985984856,1069.4131596545371\n4ivb,4ivb_776,14.028099607857712,175.2913337966858,946.7475251118448,1014.1525139886134,1014.1539342307852\n4ivb,4ivb_779,25.582601736881607,198.22709047187163,995.9983035075982,1059.946638706199,1059.94706828602\n4ivb,4ivb_781,9.619816829370297,88.97641122886223,780.5495356308111,858.4715012174025,858.472177583589\n4ivb,4ivb_783,7.677058775350518,139.85535444624182,874.4137126789578,933.7276186072075,933.7279970102721\n4ivb,4ivb_784,33.822568690499125,254.98029900321077,838.5873199913972,869.549928681485,869.5500668844466\n4ivb,4ivb_785,54.30680069594509,313.00000922365535,964.050273596095,1002.5709177363824,1002.5711306764539\n4ivb,4ivb_787,15.390795562686462,164.28743917088013,910.3746779314707,956.0597324648552,956.0603505675715\n4ivb,4ivb_788,27.108105862682553,212.74936518137633,997.6537179381952,1059.3006167616638,1059.3008585124414\n4ivb,4ivb_791,12.88344588674825,175.85412424656138,920.9080599203687,982.0540438999113,982.0549051204262\n4ivb,4ivb_794,14.86537638906579,165.9265602359568,932.6679639015435,997.4322098107604,997.4325684757559\n4ivb,4ivb_795,12.232969145025404,139.36961570547408,961.7997660927311,1028.4171289099172,1028.41785933117\n4ivb,4ivb_797,8.398604357071939,119.08327397181603,902.5104014104393,976.7432099986894,976.7453831171358\n4ivb,4ivb_845,204.38074326315228,884.7780154414281,2048.091064111341,2103.9682700463763,2103.968603970718\n4ivb,4ivb_85,227.00394555405114,912.3626517337535,2052.796318080304,2088.210764968775,2088.211172493467\n4ivb,4ivb_875,213.27169073393225,928.8834692400569,2123.1857105364293,2163.887471155854,2163.8878475183333\n4ivb,4ivb_884,76.84749817627468,395.7772667965184,1179.1424620725327,1220.0859810157942,1220.0864546296239\n4ivb,4ivb_887,64.25600543177427,356.4870382889594,1216.4294028448714,1268.9153345259692,1268.9165641161262\n4ivb,4ivb_896,54.33235427724591,365.8531064587527,1241.9808334853608,1295.1844043113822,1295.1854118739968\n4ivb,4ivb_897,14.736680104356294,149.419568655767,896.4078114253876,935.7652213067569,935.766372669321\n4ivb,4ivb_947,204.58581763598963,857.3484531993523,1958.5219434743233,2002.5890087540777,2002.5893062249904\n4ivb,4ivb_962,188.8484144306483,828.8198550489219,1933.844932695463,1977.3032896384655,1977.3035709061041\n5c2h,5c2h_119,28.83337014559431,230.29393563892998,1109.8655796609107,1144.939160229563,1144.9407735602406\n5c2h,5c2h_160,26.910191006926627,239.42188563600413,954.8184260762879,990.4680777962946,990.4690693787584\n5c2h,5c2h_204,132.91526289032572,643.2617399690964,1693.915072955121,1726.8175214975029,1726.8187961627618\n5c2h,5c2h_216,139.50224227279995,651.0441246526584,1651.8474669020213,1680.1285820571943,1680.1301055314273\n5c2h,5c2h_240,153.54262653668067,698.0051936796921,1838.095398889829,1875.452577957819,1875.4544020776582\n5c2h,5c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79,832.9661338712549,832.9666016085445\n1pxn,1pxn_653,57.230620439236255,339.23899053549104,1011.4469981199065,1047.7969382523722,1047.797864242473\n1pxn,1pxn_662,52.42304650142487,312.2874435473653,1055.205859461065,1105.8486247237718,1105.8495113797378\n1pxn,1pxn_665,0.441314562563333,53.139649716505645,609.9859742701675,637.5614619046952,637.5643990598412\n1pxn,1pxn_666,11.7158199124778,135.364144566207,902.2222818568094,953.7721795369309,953.7745572852627\n1pxn,1pxn_668,13.034388299878788,133.23789500538578,825.4849214432772,865.2560917475257,865.2589652295377\n1pxn,1pxn_671,77.59467151971852,362.38662880846846,1180.549999841619,1224.770118669244,1224.7709327281307\n1pxn,1pxn_672,21.540346207322916,190.13795360152614,871.1863394027085,911.3303086796785,911.3312803248187\n1pxn,1pxn_678,18.460715872911567,138.2479470273999,675.393219307154,710.4353275909006,710.4356018020593\n1pxn,1pxn_682,4.5114256587552255,88.61764179048049,792.7403030648057,847.8952901925215,847.8960622463331\n1pxn,1pxn_687,22.151957208598684,191.5918173808178,902.4891420213501,958.6430308763735,958.6433720566473\n1pxn,1pxn_690,11.714869786555006,113.7445136462305,755.4599511567905,794.4748079904803,794.4770650560472\n1pxn,1pxn_696,11.633919215686667,125.94682234208122,816.9589507717626,867.875728886349,867.8785895086412\n1pxn,1pxn_813,212.46753674588567,873.2401275392513,1804.2933709924862,1856.9362455557077,1856.9369114704762\n1pxn,1pxn_82,28.790197409768304,188.42951484342083,727.9250014936966,766.7897028894992,766.7909241822518\n1pxn,1pxn_830,168.56847968305254,780.0671884280134,1615.917736028798,1646.5949651016172,1646.5961493384577\n1pxn,1pxn_86,229.05308632761464,933.2281574775816,1912.202976035532,1950.3155997873682,1950.317546760894\n1pxn,1pxn_945,201.91319079469872,856.212374368942,1747.9799327819333,1795.5365773516107,1795.5371932376675\n1pxn,1pxn_96,223.36462494984863,953.4284287197363,1990.5923227611308,2037.9559067636628,2037.957454972698\n5tmn,5tmn_117,6.60142758258393,97.01041246981097,805.7294749149676,854.3972016978132,854.397635657777\n5tmn,5tmn_125,5.900487181834327,121.31323417062198,1103.0894837791873,1179.7230996911514,1179.7241811982635\n5tmn,5tmn_141,11.909540765476997,132.41014647557276,1029.3936953891257,1101.9206970167606,1101.920954726493\n5tmn,5tmn_142,38.95082514205712,351.518700237223,1223.2230827514597,1263.8658820723624,1263.86737484354\n5tmn,5tmn_155,12.546067754674363,137.61051575891645,1075.4705950248306,1155.445693109701,1155.448236927511\n5tmn,5tmn_161,5.14213686831735,135.32567585378956,1040.163972295818,1096.131560582891,1096.1326016983917\n5tmn,5tmn_162,18.05318755102669,223.75911878647338,1048.5884200741232,1090.5227612667081,1090.5229647464068\n5tmn,5tmn_197,9.600550378938827,175.8036608402069,984.0005808540774,1021.2041858785786,1021.2060209257812\n5tmn,5tmn_199,18.217640339447293,94.47344510089744,803.808871664174,859.7595482800696,859.7599712327155\n5tmn,5tmn_203,47.49356795815107,355.3562809751179,1194.029210291066,1232.8060350275982,1232.806195466802\n5tmn,5tmn_210,67.47680904022602,401.0265145573075,1099.308003372177,1116.9502906293733,1116.95113547575\n5tmn,5tmn_219,111.00059876983639,549.2927232250015,1529.9081471064571,1557.0915561497711,1557.0944779864064\n5tmn,5tmn_22,22.288868309069287,270.9998572434855,1076.0153873848392,1125.4766368903877,1125.477566004822\n5tmn,5tmn_222,19.437743906522115,238.9929570844782,890.6206538197619,915.4684376418041,915.469335509719\n5tmn,5tmn_223,89.87781485669419,573.6090416866301,1522.5964024392108,1552.504371585396,1552.5047789319012\n5tmn,5tmn_226,59.334768267285575,446.9909025910275,1318.054707451522,1360.2288923917133,1360.2331341649992\n5tmn,5tmn_232,45.42375202642901,319.55852517942816,1044.039569162808,1093.664438268494,1093.665182402557\n5tmn,5tmn_236,26.152290271359472,286.5676013902518,993.4053619057839,1018.9107705383989,1018.9117362618043\n5tmn,5tmn_254,30.84933552124868,310.36590741202593,1050.277295950635,1086.742286948176,1086.7432844006414\n5tmn,5tmn_261,40.38348132556363,326.463717373031,1184.4470447807125,1221.0992529016507,1221.0994224460112\n5tmn,5tmn_273,16.34597385282382,239.31159406583848,876.2653556221242,905.6527049627289,905.6537552915315\n5tmn,5tmn_284,94.98205677004609,597.394677364036,1634.9290595886025,1671.4055931402331,1671.408590729277\n5tmn,5tmn_288,53.30664020705609,389.7676241981074,1258.5927238305828,1287.6659990651228,1287.6671538744818\n5tmn,5tmn_29,26.11389415119829,247.98886778832406,1083.1132679655418,1125.1634204462648,1125.1669452008143\n5tmn,5tmn_297,55.83807386216632,393.37921008892687,1304.2623648802103,1349.1524920954191,1349.1529014704897\n5tmn,5tmn_302,11.199571733482012,181.20539384839373,960.3356054510184,1009.9778387103629,1009.9784751757427\n5tmn,5tmn_303,26.303536080678057,264.9004852239971,1027.255676233657,1075.8941061211444,1075.894454927944\n5tmn,5tmn_326,15.972308390638327,184.8487561221588,989.6579048449311,1041.126588339539,1041.126990184226\n5tmn,5tmn_35,10.901710636405467,209.83103771544606,1093.0821729025783,1141.7538728341733,1141.7553207717601\n5tmn,5tmn_357,2.8785989937544363,89.44472866425626,787.0595054315635,851.9577213652966,851.9583848215173\n5tmn,5tmn_362,42.93821374010064,345.9869558817817,1355.6155292847793,1408.3024113544402,1408.3027651938608\n5tmn,5tmn_375,37.994445445918366,310.68080709894167,1179.4067199768256,1226.0691714881148,1226.0701134276678\n5tmn,5tmn_38,6.916639320517097,135.45105481604926,1036.47198375615,1088.605237597235,1088.606038383767\n5tmn,5tmn_452,7.67595370017251,227.14155559864074,1017.2252262550608,1062.2064559890885,1062.20747298225\n5tmn,5tmn_462,13.37316981174022,242.23285726303357,1000.9740362242499,1041.1991357305883,1041.2004290108187\n5tmn,5tmn_464,71.4708115502478,482.8744232951306,1357.8644616804174,1385.532506171394,1385.5362717082\n5tmn,5tmn_465,27.066142268481236,277.2765761519838,1159.95929039299,1191.148663990412,1191.1496000517445\n5tmn,5tmn_468,59.01631460451281,438.1730912654811,1258.4410670245827,1275.5076184531135,1275.508437221401\n5tmn,5tmn_498,34.77501237175434,264.76234513310646,1020.5223343139214,1051.2003043717637,1051.201221333563\n5tmn,5tmn_513,9.819797529594018,177.9116797167643,1023.3633599698286,1074.5850382181873,1074.5866380197722\n5tmn,5tmn_518,27.88038343836996,277.33705949566576,1175.975251712355,1229.1434433862523,1229.144747674489\n5tmn,5tmn_526,31.684789432868424,250.83439531045866,925.4956547350467,966.859047221703,966.8592040111007\n5tmn,5tmn_535,8.99595175880555,182.1280505232667,942.1580588157091,995.6211975496964,995.6226548417603\n5tmn,5tmn_537,20.819601880181317,207.1651943956413,1081.7678907205493,1131.2720876403218,1131.2753261840282\n5tmn,5tmn_540,36.93861338625341,319.52884897695486,1143.4882048566387,1186.2614064503755,1186.263457045182\n5tmn,5tmn_541,48.44860651886096,424.94824424316454,1477.2037148220154,1523.2119515769677,1523.2150011635938\n5tmn,5tmn_551,25.409821446422246,236.1348017686507,1140.9643190022718,1183.924641724369,1183.9265343895845\n5tmn,5tmn_552,29.009207550875537,277.07151193474374,1147.8626053869493,1189.7789266508419,1189.7805062344662\n5tmn,5tmn_553,15.253129834126348,256.85161734956876,1023.4901048639965,1047.3083321002632,1047.3103713143723\n5tmn,5tmn_559,19.38831292233155,245.51381914395157,1167.324921560049,1221.5193456885854,1221.5219503796307\n5tmn,5tmn_566,36.75462232358618,315.6180976597969,1145.177327123782,1174.7706272281162,1174.7716813876089\n5tmn,5tmn_582,27.353803904637445,261.92183932121293,1311.3116711527157,1367.7390631346964,1367.739290367155\n5tmn,5tmn_588,26.06557421257277,252.84869067981575,985.2433943295067,1005.5064616613626,1005.5071969595112\n5tmn,5tmn_592,8.518834120565778,157.86299686447478,1167.3527434359905,1228.9553284311617,1228.9555031465943\n5tmn,5tmn_596,12.390009030590416,212.12824101061713,1207.004555046841,1256.5286147444147,1256.5299406353088\n5tmn,5tmn_609,59.68923180223338,382.38947922235076,1320.8856046897945,1365.3818801184802,1365.3819249678286\n5tmn,5tmn_61,10.8304241373618,199.18556241316134,1025.725435179589,1095.0192390678337,1095.0200345074397\n5tmn,5tmn_624,42.6566115224989,351.72265012960315,1142.5467359277038,1172.8899720539657,1172.8907672320315\n5tmn,5tmn_639,8.916054984277332,162.62723641527032,882.9366938366193,920.4641440965224,920.4657008383183\n5tmn,5tmn_640,34.005065390458235,321.08057581110927,1259.4305149248735,1303.5972562659913,1303.6011218704143\n5tmn,5tmn_643,18.297216010357577,239.80545765154045,1085.336443879478,1131.6258983151456,1131.6267446229197\n5tmn,5tmn_649,16.224179335716475,255.48268262214515,1022.7364577542645,1051.2279024337972,1051.2295373263132\n5tmn,5tmn_654,35.143192355394,309.02475056985116,1170.2492458794109,1198.8205909360865,1198.8211637885584\n5tmn,5tmn_659,15.07148516441951,228.2521997352806,1083.0035102653783,1121.8580768506206,1121.860175682124\n5tmn,5tmn_681,14.703419408434533,238.08644174574485,1171.2294976355263,1213.9071440075434,1213.9085321028006\n5tmn,5tmn_685,20.48431494191297,199.38764018005375,1025.3835734411823,1092.7277206895724,1092.7287884675206\n5tmn,5tmn_695,17.08043355029882,250.59767817034498,1079.6200463501357,1136.1994299016285,1136.199915353185\n5tmn,5tmn_700,13.82862778788877,232.17435913286639,1017.78266220329,1073.7833973894606,1073.783425876179\n5tmn,5tmn_707,88.83989266765522,522.3103273100493,1585.6948840665777,1635.7487663139132,1635.7509246745622\n5tmn,5tmn_717,108.62943377820366,634.4847912676638,1676.3923988578472,1713.7482736277082,1713.7534740888354\n5tmn,5tmn_725,105.7770904940584,621.7269019337401,1647.756404504769,1676.718469747296,1676.7236554496324\n5tmn,5tmn_741,88.17606665111462,495.4343498381269,1513.3369931813925,1557.6341638001998,1557.6363315836538\n5tmn,5tmn_742,90.0643855001706,512.741917507719,1546.9298267852746,1588.5642753203656,1588.5664806402162\n5tmn,5tmn_754,95.48357445878946,548.0844381525212,1596.9615004008551,1632.0759899162658,1632.0805569492973\n5tmn,5tmn_756,86.13272466995804,520.6832702553155,1579.181128724833,1629.0338941484513,1629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4606,909.3234732899259\n3acw,3acw_636,48.6115045895094,332.0240161068719,953.7197146637474,966.2110432400973,966.2110742507873\n3acw,3acw_642,14.43753997268783,180.428778014859,808.7374685902668,861.5321425162798,861.5321567639111\n3acw,3acw_644,47.6436059554582,332.1711034994898,968.2972359740145,996.4148184260697,996.4148343307544\n3acw,3acw_645,10.716311920923157,163.08671499647687,879.5590673618283,931.3846343626929,931.3846624668619\n3acw,3acw_659,6.540425377827297,158.04444482866242,874.3280465936643,926.5345590277557,926.5346208555902\n3acw,3acw_661,11.922257387265352,194.42007653634238,800.2955497752529,831.6832802336487,831.6832820373736\n3acw,3acw_664,9.689540381090723,199.01138632327033,761.641544310867,815.5818116525758,815.5818125725461\n3acw,3acw_667,38.275402186408506,315.64630020978075,904.916392346464,923.6061228410938,923.6061237808426\n3acw,3acw_676,14.80347463603395,208.77685006062572,729.96668676914,769.1798456601313,769.1799851609904\n3acw,3acw_678,31.9786459551889,290.2374446779316,863.6522257497629,874.8821069481155,874.882108859038\n3acw,3acw_681,13.834310344388216,216.0327443536295,811.5301074519788,855.9524992857891,855.9525324081568\n3acw,3acw_697,43.49656204526555,304.5448629868153,883.1494792072256,904.554777220604,904.555273437385\n3acw,3acw_700,46.68854880040478,360.1247177059124,977.517348898098,1001.0148327435076,1001.0148616044947\n3acw,3acw_720,5.148715435060134,133.28534200182585,902.5067880932997,951.4062611536301,951.4063879792892\n3acw,3acw_721,31.932685523133436,261.36893793324873,795.2497725121417,806.5578520079533,806.5578525741064\n3acw,3acw_722,5.3044549886240775,126.73084935952929,902.5885955074762,962.8769935418611,962.8771499246822\n3acw,3acw_723,26.232787089539816,262.52056495149736,812.174118091805,843.8432743054329,843.8434268269942\n3acw,3acw_730,6.112059187803272,137.2368497571784,815.6135982399436,852.6693237504584,852.6695710252237\n3acw,3acw_732,55.497303221888316,372.9341326311011,982.2200137052182,1001.2994461204423,1001.2995125111028\n3acw,3acw_735,4.2205397689725865,132.96468443502988,915.9759464275511,965.2179605262746,965.2180988361292\n3acw,3acw_737,2.5523078549228924,101.51495437616707,727.1937534663826,777.1502419690042,777.1502428326054\n3acw,3acw_738,3.6276279009292884,144.72327708447116,834.4530723311067,866.2547816287504,866.2548872852678\n3acw,3acw_740,28.649777812854158,271.44464371882,840.1680614733762,861.6582797428587,861.6582986496542\n3acw,3acw_741,3.688777074098023,140.54188569917682,840.3959270870313,881.2385487241532,881.2386583848047\n3acw,3acw_743,1.8550820697020536,101.1372337644945,786.3044388973876,818.4793753224125,818.4793783540108\n3acw,3acw_744,1.925045703172107,104.73014405265867,804.5893687563614,837.986952778137,837.9869550304529\n3acw,3acw_745,1.7937290497175398,103.8881312869673,792.0680734312201,829.667120183308,829.6671229318912\n3acw,3acw_746,3.0233555880086835,112.81479976810587,837.7466719218811,883.4506634288092,883.4506642001562\n3acw,3acw_749,17.66878669840931,192.47233137345654,770.5037045445478,822.4155898387851,822.4156064796456\n3acw,3acw_750,24.41803869173601,220.83413332723387,792.5386560905067,816.6595116435134,816.6595240530436\n3acw,3acw_757,14.15843941966052,227.2226727593453,884.9493097759778,914.0434356265756,914.0434375214639\n3acw,3acw_760,1.8076688646231114,81.22664314914635,712.7148240236089,757.6297612585604,757.6297883182949\n3acw,3acw_763,23.960194775887405,204.87646283576723,559.5915131559623,566.07331137833,566.0733124666338\n3acw,3acw_776,10.600516588435829,171.3053548941697,781.3741763991911,841.0083022639185,841.0083053286447\n3acw,3acw_780,10.754551449371881,172.5274993688682,780.5259705875891,842.1146585919392,842.1146624419326\n3acw,3acw_781,21.847037802446767,229.565863744646,579.8904468498883,588.509761607497,588.5097621422264\n3acw,3acw_791,27.325546524050793,283.8230482919643,871.3621184285196,889.0947471623261,889.0948137942231\n3acw,3acw_797,20.687173790895752,238.8595291549208,728.8881388951228,744.6979257580083,744.6981444346291\n3acw,3acw_809,58.43684488153937,373.42835838082357,1004.6596071024561,1024.474308573836,1024.4743177600114\n3acw,3acw_860,39.377637566894855,298.6668110606799,850.9814228285362,862.431565472277,862.4315671140333\n3acw,3acw_861,4.004404798977133,142.52504671048342,829.0413419112338,874.4056562031933,874.4057946458003\n3acw,3acw_865,2.613354510866963,108.49862410735328,802.2002149000134,842.3103180988785,842.3103216170823\n3acw,3acw_866,4.3993493189830986,134.46031054997982,930.1571549463761,969.3740869119346,969.3742152869421\n3acw,3acw_870,6.325668905456978,137.7313744318949,841.0328595002841,889.1789161528538,889.1789873774094\n3acw,3acw_872,2.5772502120691407,117.22215410464473,808.0543191542586,848.5339641523373,848.5339667256719\n3acw,3acw_877,16.943197480050948,219.3384099422559,764.9096429275664,804.0062955287827,804.0063143724135\n3acw,3acw_879,43.43998551063343,290.9597844910127,827.5728441846139,838.6541208175211,838.6541361024653\n3acw,3a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508.45037286655815,508.45060529940747\n4ddk,4ddk_536,1.4614357701325944,59.10453325845172,491.4886632128624,519.4929184928014,519.4944616639268\n4ddk,4ddk_538,31.253036985712487,162.46981390766385,446.8533337882807,470.3837075961246,470.38711451370636\n4ddk,4ddk_541,29.68269147234155,169.32168046656682,513.8770513581998,539.4762442341308,539.482441007549\n4ddk,4ddk_542,8.579606564670447,83.32769052361249,520.577273881924,550.2770500405876,550.2772780848859\n4ddk,4ddk_543,5.9977200513404405,97.11260307859898,453.62937011373066,484.6711836418099,484.6723928753402\n4ddk,4ddk_546,37.02822180146481,181.61084480945604,452.6994353198816,460.2406326181734,460.24415403069014\n4ddk,4ddk_550,2.1104952890324897,60.898401705846425,482.9496719167087,521.4293434390646,521.4305914565438\n4ddk,4ddk_568,22.000765348435987,137.50396137542512,553.5741749531836,586.7047626020632,586.711354412751\n4ddk,4ddk_580,2.265118100535309,48.947537908997596,388.76210293212347,433.5653796438397,433.5683844329495\n4ddk,4ddk_583,33.35906734504516,168.50943951362854,442.7040498061331,455.46837019316723,455.47232517930036\n4ddk,4ddk_59,0.08953395184217952,47.58886596886746,386.31251665537,405.02454566846455,405.02634027257153\n4ddk,4ddk_596,3.5582230739429197,83.62659812507216,461.5056767675219,495.2212791973027,495.2214516692413\n4ddk,4ddk_606,1.9219326265968972,67.8412486161499,434.10489899057217,485.3454987032088,485.3474048131336\n4ddk,4ddk_621,12.91352947775728,130.6236709430455,518.6289422714198,549.7838707262337,549.7883220249892\n4ddk,4ddk_628,3.841145498279178,89.83877411247538,492.11456834640876,524.0132282335467,524.0145458441226\n4ddk,4ddk_632,15.206572145986192,113.2565194158898,530.5202158689726,570.3345943338226,570.3399540251752\n4ddk,4ddk_642,40.61280389694055,193.07798317207812,437.54105186620865,451.0731959923955,451.07631197420835\n4ddk,4ddk_644,0.6080184532155961,49.01876230458163,395.42131033396896,416.44522405183125,416.4455110180311\n4ddk,4ddk_650,11.97768987421486,125.6591624601871,502.3065218736028,532.8300186653647,532.8352127261162\n4ddk,4ddk_651,1.7260833575663876,47.814370189949464,419.42993614252845,447.395031749784,447.39523471590957\n4ddk,4ddk_652,19.860083979512172,146.7007709918248,511.8210869721706,536.6385189040714,536.6436402748928\n4ddk,4ddk_660,3.606668655875274,76.18845087585845,449.10360306514633,478.06956079179474,478.0715132163075\n4ddk,4ddk_664,20.265933110128707,153.26167088395383,515.5072952151003,542.3501086220275,542.3564199305011\n4ddk,4ddk_672,41.760590193670936,185.41970714516916,438.6522810601443,445.9112064988214,445.91438303210674\n4ddk,4ddk_680,4.3135539131237595,85.40011358536334,482.2285290177454,525.9322900313534,525.9343364649849\n4ddk,4ddk_684,1.8827361206427728,67.70697945819882,462.0685814117022,491.28276903155097,491.28481054392176\n4ddk,4ddk_689,1.3108223230910756,54.794507528962924,453.32964086155613,486.3148804885681,486.31679894147214\n4ddk,4ddk_696,7.463875974200554,87.32087521136455,483.7286641688369,524.8319115372803,524.8375897250015\n4ddk,4ddk_709,1.876461748340382,49.67173946293272,387.400684968032,421.11393036216487,421.11513377042246\n4ddk,4ddk_726,0.6259242736865603,44.61804548665415,357.8110538673312,379.64886416122476,379.64889111730304\n4ddk,4ddk_751,16.570183279931246,145.58329304412618,497.5576613019787,515.1708372685753,515.1738293134792\n4ddk,4ddk_755,2.8311930623954114,63.91389875676687,379.6667410735999,393.9007309927961,393.9008195396586\n4ddk,4ddk_767,0.10108234038857589,49.708283513174806,438.27618509134817,454.24259132548235,454.2428312995049\n4ddk,4ddk_771,0.1181580739482683,49.58740442271093,445.9256476401236,475.0076105998669,475.00784302335796\n4ddk,4ddk_773,0.9532201382745817,54.44917982075092,409.28110989139566,427.3721089667713,427.3721644464909\n4ddk,4ddk_776,5.1683878906181535,78.76658230695827,458.7225223217956,486.7701897133522,486.77035010370355\n4ddk,4ddk_78,13.50073390997643,123.55357072897002,494.3838684374424,530.5778669233832,530.5825265665729\n4ddk,4ddk_782,0.7801656630594925,45.118465195257556,415.3042835303462,438.0721100213392,438.0723786212644\n4ddk,4ddk_811,0.22040978703685427,36.856408735942075,356.7826785689052,374.9692071587939,374.9713694414756\n4ddk,4ddk_812,0.22317562495766657,37.14486606702998,356.21670365054746,370.5652033621164,370.5674244187143\n4ddk,4ddk_813,0.3254994971251322,36.65031804637322,333.23804756966285,351.0450358252155,351.04791925374985\n4ddk,4ddk_815,0.3580478032896602,36.58098152375728,331.11004564794916,348.3463980410794,348.3485328362663\n4ddk,4ddk_820,3.8976535748262644,73.43744680846542,378.06908691056736,401.87525566592853,401.8814982237799\n4ddk,4ddk_836,0.11066516537507902,48.41111319764626,446.26405773152686,462.5309528399667,462.5321225670606\n4ddk,4ddk_872,0.5564573521594278,50.07061633773431,383.71819640976804,396.9366302936272,396.9368143519646\n4ddk,4ddk_878,0.5739578944835835,41.23668367570299,386.5712234313896,407.26178907652394,407.2618827481478\n4ddk,4ddk_881,1.6883130741150145,54.52591890418244,348.76913095672995,371.89175143136714,371.89177126294794\n4ddk,4ddk_882,0.9727043279862939,48.39724909834598,423.3832301025327,447.50395536200165,447.50505068752733\n4ddk,4ddk_89,4.38537060845942,97.50156054028817,469.3407444549306,511.9322523610904,511.935438612247\n4ddk,4ddk_925,0.31628349208577883,38.05234291453878,354.55409346865576,381.5203592940936,381.52315221639765\n4ddk,4ddk_939,39.88477120512822,192.07020725009514,423.21794431062347,436.950987728762,436.9540542267825\n4ddk,4ddk_951,0.33288436669640403,36.100420009235876,382.5484197243604,411.02244678761576,411.02485610068504\n4ddk,4ddk_953,0.37178837031759165,37.1150874601142,402.8756824208333,425.3066517682574,425.30914379451985\n4ddk,4ddk_959,0.33405782590430866,36.202459678055085,390.6018590744428,410.8684077050006,410.8708297881457\n4ddk,4ddk_962,3.246715173426754,59.90240531374378,389.0783400515293,421.64227690161096,421.6423136221364\n4ddk,4ddk_970,7.160451541522949,84.60428046844054,409.6047071151899,438.5955768623992,438.59992895409255\n3rsx,3rsx_121,34.87327554345375,204.21908843720033,848.5504264254846,876.7716880713101,876.772380355689\n3rsx,3rsx_131,54.14502097358967,283.05110451818314,1131.891666044267,1163.0908673737288,1163.0920738911448\n3rsx,3rsx_132,30.980388704614764,204.64770246420034,815.2841966724679,842.6493474208748,842.6498107192225\n3rsx,3rsx_172,36.771588906311074,200.9445582412788,836.4497309085053,872.9124482760585,872.913517249863\n3rsx,3rsx_173,33.08245184477055,206.70613567119895,821.438228070257,848.3553450856745,848.3559231469551\n3rsx,3rsx_218,25.763230895975568,150.1705560743961,913.3459588258991,974.6388092418027,974.6398770608216\n3rsx,3rsx_230,38.853404914454,186.88566326560823,1031.4301198786652,1088.014384009048,1088.0159346829225\n3rsx,3rsx_243,51.73965560232491,272.10118046051673,1038.625433123566,1076.087700634147,1076.0894753452264\n3rsx,3rsx_249,56.325875650976286,281.6397028248241,1144.879893425802,1180.4246893282684,1180.4264382111485\n3rsx,3rsx_266,52.277639343647635,268.0243717083559,1071.057246147721,1105.65015717733,1105.6511234113214\n3rsx,3rsx_375,49.13094267866655,267.2153358268083,1069.695750634329,1107.4860742635635,1107.486664985329\n3rsx,3rsx_388,47.70787159358789,268.7128884751404,1136.955149330668,1168.0516867668787,1168.0528478676154\n3rsx,3rsx_408,27.750256361205132,193.8045017188205,968.4967525932813,1005.5724149948651,1005.5745419847524\n3rsx,3rsx_423,48.56160597115626,256.9455358688419,1068.7935706922556,1105.7165615566141,1105.718603445541\n3rsx,3rsx_434,30.342073677443985,196.60061180188467,1012.2931764101196,1064.513840185778,1064.5147185122212\n3rsx,3rsx_450,2.451277420365105,130.34156908342933,844.1293360780469,887.8995427594407,887.9001988714022\n3rsx,3rsx_464,39.789321676176925,204.0639735484924,910.569735245549,971.028464671508,971.030687788192\n3rsx,3rsx_470,36.8801725299852,249.93028878171572,1004.4038575160334,1034.9327275714868,1034.9343099092512\n3rsx,3rsx_474,35.68587841531395,196.6385816802471,894.8561026712892,943.7548567254441,943.7558986572164\n3rsx,3rsx_487,41.94262537672597,258.46119702650907,1038.6111545945016,1082.2739712938678,1082.2747157032761\n3rsx,3rsx_494,4.33116189070065,101.02552234629098,750.2679246921862,781.9024877672932,781.9034560999108\n3rsx,3rsx_497,34.40220141105594,220.37552606759547,962.5542346247988,1007.0540864382444,1007.0561712595505\n3rsx,3rsx_505,49.42575712484029,257.48391580414983,1078.7386270736683,1113.2546545919913,1113.2550698574305\n3rsx,3rsx_506,49.99508020943445,267.9003251332177,1079.6134919417846,1120.3246811446945,1120.3256148939327\n3rsx,3rsx_515,47.365545984851884,273.6089399341867,1126.1291374928546,1165.2552336138249,1165.2568668209506\n3rsx,3rsx_518,6.968794722562409,140.56328928364988,882.9796924568984,927.0175402420024,927.020208912431\n3rsx,3rsx_528,38.91753771608438,240.5072758618647,1043.741032388041,1083.1219675867508,1083.1224427118352\n3rsx,3rsx_534,9.151393651243405,147.25850356838384,894.7616311375995,922.8987346273717,922.9001547208074\n3rsx,3rsx_535,5.672942533758205,135.87052977159237,792.0058471137631,824.99349233355,824.9940698836655\n3rsx,3rsx_537,3.9978970139999426,82.84910613457723,705.4725373673135,734.6808837220732,734.6817317983167\n3rsx,3rsx_549,8.41918440496849,140.55171327929426,880.9214990844292,922.1833850149275,922.1844696767565\n3rsx,3rsx_553,27.81950102210509,203.1865195345152,864.507723487394,900.7824784604019,900.7833177459206\n3rsx,3rsx_554,38.839586189013275,246.2272371401155,1083.3019710592182,1135.160847837197,1135.1626404717226\n3rsx,3rsx_556,17.011527710502378,154.95525868199846,840.0953828663035,874.3865854691705,874.387010054293\n3rsx,3rsx_569,1.2436192240371335,85.6446043650438,674.8766324653299,712.8880714623889,712.8882367801901\n3rsx,3rsx_574,5.353037668974595,120.32545009031061,735.5669338866188,768.2009300155689,768.2023115013819\n3rsx,3rsx_579,2.6925823737354753,91.62541779473085,784.9360497440105,821.0641380631996,821.0657203070732\n3rsx,3rsx_586,4.616500043895071,143.24012890248827,872.3539047104199,911.0178731482615,911.0206140997946\n3rsx,3rsx_589,3.616166560572824,79.71823184843981,679.6753324553755,722.8104642194659,722.8113238940089\n3rsx,3rsx_590,4.691600982288114,114.38110085301956,793.7694659981404,836.1988166732145,836.1995379603328\n3rsx,3rsx_591,15.597027331014111,136.47594713106974,825.8628046261571,874.4079849065153,874.4097747571105\n3rsx,3rsx_593,5.710948753839972,159.2188930019406,852.4419746538157,887.9773530946328,887.9789556780156\n3rsx,3rsx_594,39.444648101355014,242.59751090783578,1073.9211772069414,1105.8150230873923,1105.8173838691669\n3rsx,3rsx_596,8.72482146185878,133.1807476473928,831.0988009017871,870.5396829659417,870.5414865135641\n3rsx,3rsx_604,44.01202943612293,212.65922614824015,884.3363583488479,928.4674692711895,928.4675711655852\n3rsx,3rsx_605,31.883032231130993,200.12867640418563,1035.0892294963628,1102.2698331429035,1102.2709352943004\n3rsx,3rsx_607,26.733104884619756,178.04880336595434,879.892316347776,916.6492656624773,916.649494773883\n3rsx,3rsx_621,28.38303179765555,184.53346865378938,732.1199344039276,758.0251015564087,758.0253732884612\n3rsx,3rsx_629,21.738800280263547,157.90712855755265,896.6604994508572,947.0159018375055,947.0175560606974\n3rsx,3rsx_630,45.47811746817242,264.9146472048261,1063.7844320765096,1105.6318065783673,1105.6331131308254\n3rsx,3rsx_651,30.22050510275947,207.41720134497666,1051.5303391097482,1101.6221152191142,1101.6261220595281\n3rsx,3rsx_677,43.988955208616744,253.0552685645967,1095.13277625897,1134.8615056996168,1134.863265051948\n3rsx,3rsx_684,39.87654669929833,245.05306757630848,1091.3020646045259,1132.9414858478021,1132.9422849789682\n3rsx,3rsx_689,39.03698361895201,213.3886215671771,941.0121423648537,977.008921063846,977.009725213804\n3rsx,3rsx_697,20.29927801842444,146.13477199151288,770.8447086411971,813.2961395593323,813.2998033060192\n3rsx,3rsx_708,5.611913166961515,90.58971851194293,770.6490788777062,810.4087391498034,810.4093045542423\n3rsx,3rsx_740,3.0693848509353514,68.48208510348985,663.1460746192789,704.1976628269759,704.2000538888465\n3rsx,3rsx_742,8.603533570831928,139.19366659695694,855.9532071665707,899.2332590554225,899.2343206743178\n3rsx,3rsx_744,3.0977770893438827,66.84634029427367,677.6784482452598,710.9735122426972,710.9743649260876\n3rsx,3rsx_750,5.793065727182516,112.30540016674068,783.9012651814023,821.8860860855481,821.8897200331506\n3rsx,3rsx_754,23.593316041213658,125.76976963271845,957.1783873403764,1017.3485426504373,1017.3502549053023\n3rsx,3rsx_756,2.5443096385027166,58.08036833026492,637.7046553773878,673.9144717130196,673.9154632726505\n3rsx,3rsx_761,7.837766175658994,111.7805009776745,885.7795686088944,946.3899532139745,946.392811005747\n3rsx,3rsx_762,3.7159001022399947,79.39755126070227,705.6557335298795,747.5656672798926,747.5669121963639\n3rsx,3rsx_772,7.056911074231543,142.21246055781913,714.3349809999152,744.443884186087,744.4448543808501\n3rsx,3rsx_773,4.095047595722146,79.2472774345471,729.4788949433406,770.0361569805748,770.0367977316507\n3rsx,3rsx_774,11.617540257998984,115.99051796873646,861.6808843237629,903.8487944000577,903.8495942729031\n3rsx,3rsx_778,9.808916521975382,139.8210297142001,910.3093313139337,956.1518917762305,956.1533575681466\n3rsx,3rsx_797,5.107799731591777,63.41570383138999,563.0168950937278,597.6781489847356,597.678948999705\n3rsx,3rsx_828,22.592362850290517,128.69943901590202,780.5159869793498,828.485739721973,828.4883253210104\n3rsx,3rsx_868,25.31792295725586,149.5681953842398,772.8752410844493,804.9019652624686,804.9047015764671\n3rsx,3rsx_912,5.631145373318016,65.72002037744709,559.376959462285,596.2760279267469,596.2767941601177\n3rsx,3rsx_918,4.5287133733939635,69.30840086516427,570.6736157415903,606.9381283926288,606.9385961995464\n3rsx,3rsx_934,4.588276555139504,75.64247615495702,684.5197402557958,718.7685575468039,718.7696310567839\n3rsx,3rsx_936,11.655757262337733,136.82713715824664,903.8740172489438,945.0114982779269,945.0122307924406\n3mss,3mss_101,50.46214699656513,226.77166394590566,746.4524849572938,777.089702307998,777.0914228577572\n3mss,3mss_141,50.800800986374874,215.09358745140662,755.7677968430605,796.2700447785122,796.2714495224117\n3mss,3mss_18,57.25994595063396,242.68249511395248,753.6608314033278,796.697768364665,796.6990842540599\n3mss,3mss_197,50.68676711347904,228.69886204384707,752.2472323724278,779.4776863522644,779.4787654573606\n3mss,3mss_214,3.1360239694577046,66.74697630638522,554.2633708578592,582.8775257894064,582.8784526996648\n3mss,3mss_23,51.487056438150795,234.30668683843044,749.441421528545,776.950075146583,776.9512021848396\n3mss,3mss_239,3.5448694898945843,73.12662118070622,540.6437698293997,567.3257717838453,567.3259478620399\n3mss,3mss_244,5.842221070900892,98.33645253718694,626.5524876929207,658.7018112846137,658.7022306978773\n3mss,3mss_264,36.224797077521316,183.54117485664023,647.781773233908,671.4166786051946,671.4188137676169\n3mss,3mss_3,31.32215025166973,156.634688524148,602.5937970736508,644.0029345968516,644.0033588318845\n3mss,3mss_311,55.03471353031769,238.37880859439977,800.6453462174135,842.0090498258178,842.0104234979162\n3mss,3mss_386,36.34531725924122,178.67337368227868,617.0857173277888,651.4826275852406,651.4837841092483\n3mss,3mss_401,23.809944727320236,172.21560332343114,704.2802554421819,741.6497620089766,741.6508846032713\n3mss,3mss_412,31.338178776248178,202.5577305363947,770.6584374587197,807.851803851756,807.8529958411283\n3mss,3mss_424,4.652245305566517,96.45671107839652,566.886583201718,593.1779227220187,593.1781387838121\n3mss,3mss_433,24.742607685875736,164.55909676756107,687.049170617341,722.6552584437785,722.6563019486024\n3mss,3mss_434,21.87847146025875,125.86689013336562,566.4684745342901,592.0291880218421,592.029267563096\n3mss,3mss_443,35.0166279728521,188.95427933580694,772.1802097934616,801.0594710396521,801.0603420695508\n3mss,3mss_445,36.25090424422923,207.7662486834774,810.654767019702,861.4970609983837,861.4992707318097\n3mss,3mss_448,32.88920568306192,204.98306072778487,742.6297192182229,791.2992885149148,791.3002135167088\n3mss,3mss_451,57.335925341236866,239.68305656889734,768.9924684246131,800.9121176464646,800.9133975459956\n3mss,3mss_458,50.76119906169843,228.2651377116447,750.8185467198606,786.8568070103803,786.8576349919214\n3mss,3mss_459,41.73145713627079,197.33344319975885,728.144558280013,752.2599460318477,752.2604641303778\n3mss,3mss_465,53.22086756611143,238.1499764850583,711.5597411866147,744.7831336627431,744.784056503777\n3mss,3mss_466,48.99781503867264,234.78267925825867,804.8590394884126,836.7265490736021,836.7280556898878\n3mss,3mss_467,15.427667419200754,159.69780160347273,769.1495766442678,808.1665622685911,808.1720235512004\n3mss,3mss_475,53.020055152256695,248.75271077181097,819.9645613294956,855.2106338792848,855.2112276855711\n3mss,3mss_476,19.83502053945276,177.67159892864268,759.3941357797561,789.1600026962717,789.161342770137\n3mss,3mss_487,8.866487022164147,142.89227653233718,719.045269900004,768.8442339915497,768.8492014953908\n3mss,3mss_499,16.936470059504853,140.73369500759566,666.525449991797,688.1175378339798,688.1181037578003\n3mss,3mss_507,13.423891883727407,133.67101114128337,731.1979217069888,773.2882769017809,773.2910873908984\n3mss,3mss_518,9.89209059134188,111.29159698062023,725.9215867234797,776.6269959976111,776.6275421093545\n3mss,3mss_522,25.22487429807629,186.4528972777456,848.4146250475562,883.2704392363553,883.2717758837866\n3mss,3mss_534,15.122840995568245,148.6012773975979,766.3269869601254,818.9482115136135,818.9495687656141\n3mss,3mss_546,48.783340583927824,221.22866925951027,723.46647306596,761.7511101102965,761.7521488862643\n3mss,3mss_548,43.03071822135297,203.64857049388647,717.5578083004739,755.1972233661324,755.1978072513215\n3mss,3mss_555,15.167524001736595,155.59191829680944,781.8977608156656,825.0842464892559,825.0877083643027\n3mss,3mss_561,11.096334045293837,119.07671751915949,685.9466259100033,734.4858127673303,734.4861803805887\n3mss,3mss_568,11.447778143309428,139.40719463458103,634.991075358145,658.812751823209,658.8129628733475\n3mss,3mss_571,29.3593195983213,207.1987952505164,806.7993284203343,864.1908634954663,864.1913181158376\n3mss,3mss_574,14.608696314890485,135.59431004692055,780.2617762050411,820.5174397319693,820.5234288773897\n3mss,3mss_576,24.701029866425728,170.58872342300717,783.2819537666593,840.0580243508975,840.0599542289215\n3mss,3mss_591,15.74696683710594,151.91671318252583,811.0610214067261,853.8793705669372,853.8801040350525\n3mss,3mss_621,4.008629531962876,77.12949847146362,666.3717738223703,702.350463600034,702.3508607047831\n3mss,3mss_628,46.79939896000662,237.4661609260047,781.6067429908154,818.1374092578728,818.1386094899356\n3mss,3mss_64,55.75023083659034,241.6073419485267,807.5598154213797,836.8163792895053,836.8181226513852\n3mss,3mss_653,18.2502982244153,174.28323131651888,773.483944344105,822.2723579398235,822.2761000453283\n3mss,3mss_665,16.17820916057212,123.20695731231203,633.4134281034662,665.7494270350742,665.7513830155056\n3mss,3mss_668,13.380809218055033,138.09209771636685,772.7372957146872,822.6372734385333,822.637936647809\n3mss,3mss_669,10.571425412940284,133.29402443063236,746.0311591544296,781.8952604839038,781.8958411412607\n3mss,3mss_678,24.326235640739217,159.03479142359404,740.7328513923621,784.6607280726937,784.6618878655553\n3mss,3mss_680,40.865598076075926,229.02975761780348,816.8000510844871,866.0511786707996,866.0540953538522\n3mss,3mss_681,18.137540558823172,152.17597220461118,723.5369976711194,763.5139826219981,763.5141644735784\n3mss,3mss_682,41.62140185510647,207.88828538706952,729.6365213243043,761.2227619856204,761.2232015181571\n3mss,3mss_684,6.886988012578667,120.2660051690091,728.141696978013,770.1524400906884,770.153095927284\n3mss,3mss_689,43.81410815653043,201.00306472125328,687.7785032380231,724.6238754870874,724.6244111133069\n3mss,3mss_697,20.94675300712328,151.96785817212984,757.5429910658473,803.9661105969393,803.9691159676318\n3mss,3mss_730,50.673473413252815,234.42318079149445,780.450183868048,819.0113255969359,819.013360932085\n3mss,3mss_737,1.748725029469298,67.1683091535162,580.8958159865497,622.2615147480092,622.2617896979183\n3mss,3mss_74,55.66974113335815,240.4897379226767,759.3213759467504,797.5897588608791,797.5908137619772\n3mss,3mss_747,2.377627175903357,72.77747189051331,570.9482722010736,610.5164985767998,610.5167158187611\n3mss,3mss_757,2.253425992687108,59.932295632798024,561.9366158486589,596.3987021407761,596.3989778192473\n3mss,3mss_758,7.202871494382217,102.70298305120158,634.8627358711649,675.3320255010207,675.3332602011357\n3mss,3mss_765,1.9206466715586958,54.87681717058691,556.8545191750875,589.3259271504402,589.3262561178421\n3mss,3mss_79,54.211963476336834,236.07375508076655,756.6511169765865,788.5885076212096,788.5897973077319\n3mss,3mss_792,34.66169899411865,186.17881188263084,686.8790748605984,724.3802786876155,724.3817802533157\n3mss,3mss_800,21.356407015419006,164.477068772844,690.9344124979932,721.7281034665724,721.7297882153642\n3mss,3mss_812,24.610175331763642,143.91132224897416,576.6274025952479,613.8166057465156,613.8167876421834\n3mss,3mss_82,28.32608228854506,163.84733999317396,594.3138679533662,624.6084211634242,624.609830179646\n3mss,3mss_827,36.06101935431164,177.99570495512862,612.9598057858526,652.2603099604718,652.261155224738\n3mss,3mss_836,34.94224785868987,219.031913719345,849.7692818438838,904.3977721706958,904.3980575833804\n3mss,3mss_840,37.70543078264994,170.2208829682742,653.3213949651563,683.2164006588966,683.2168659905166\n3mss,3mss_856,52.55158507699726,246.61802748973165,784.9592832282449,825.4843548121219,825.4871511438047\n3mss,3mss_869,38.39797215476328,208.64130425725403,783.1217389883841,814.5733454574,814.5743390692065\n3mss,3mss_873,42.42116079807361,245.70210759577637,863.0903711618607,902.2445187726875,902.2478739496399\n3mss,3mss_9,58.90648904671947,238.6647202319433,748.0159978601416,778.9683764032164,778.9694625943634\n3mss,3mss_94,31.310220509214577,169.80476517207302,618.8743961135059,653.8534930265237,653.8559917316571\n3mss,3mss_946,22.489758871986517,162.52839278724602,679.3974429923632,715.0364043372987,715.0385305663344\n3mss,3mss_948,35.15423391109092,216.4122662150824,877.4158759533286,918.2161410431459,918.2170269409683\n3mss,3mss_952,21.265548157359714,154.15804003368487,706.7409588721076,731.7806819079278,731.7888983976491\n3mss,3mss_96,56.77663450724448,249.98207843082278,798.2370337164523,827.7581494785268,827.7594721809699\n3mss,3mss_971,2.9608743742493426,75.05010015979205,571.2297776654464,606.9696490474496,606.9698447943401\n3mss,3mss_974,2.0003973845407113,68.02153849895579,550.5281198132894,585.0224764000983,585.0227905120302\n4eo8,4eo8_12,93.42534060848851,506.62506827713645,1378.63939276651,1404.6615154011408,1404.6764143077332\n4eo8,4eo8_14,79.40200278747406,475.459817177996,1326.0620461735234,1364.1357023329679,1364.1527415841401\n4eo8,4eo8_148,89.16427260754418,466.54572614229687,1309.7033872636803,1340.7114438246062,1340.7254389764514\n4eo8,4eo8_15,67.91843039147693,405.1319772496667,1255.8634738150924,1291.2591217523723,1291.2747377754408\n4eo8,4eo8_206,89.15652827800042,492.23030894421976,1371.720508396679,1408.9346522933713,1408.9499984852878\n4eo8,4eo8_283,87.56221580395321,463.82360952822336,1302.1687454409482,1333.8601860650433,1333.8746314660773\n4eo8,4eo8_30,86.44993407313059,496.1987544587535,1386.3707201990221,1414.3563133817893,1414.3712134472967\n4eo8,4eo8_318,92.08134123112177,498.37913327122766,1377.1321571767871,1409.3758762725802,1409.3902361904666\n4eo8,4eo8_319,28.53245856737708,191.86640685283825,855.8202711448382,891.0783465378861,891.093120983862\n4eo8,4eo8_40,87.57418408669896,484.80853949328883,1364.083843830051,1391.7681146686443,1391.7826645927066\n4eo8,4eo8_403,43.447492568049206,308.22110237432724,1027.9317213164907,1053.1167176860604,1053.1319230858187\n4eo8,4eo8_404,51.36318136893214,337.800527862119,1078.0125318195448,1107.173403889414,1107.1883980053954\n4eo8,4eo8_409,30.626046899671064,256.1983915434185,950.6002742926391,986.9006616238682,986.9121180544912\n4eo8,4eo8_414,39.873373664888,314.03237038917155,1041.242774549785,1080.9035374123587,1080.9196639487727\n4eo8,4eo8_425,82.76540034000122,454.36677762156245,1292.5031492999697,1329.6587322811788,1329.6739242935244\n4eo8,4eo8_429,55.57342659758204,370.67242855287947,1204.3470405668065,1248.65975065277,1248.67651507291\n4eo8,4eo8_438,30.980158700510394,265.6057561712549,1018.4996606166382,1042.6959598126625,1042.7092408266958\n4eo8,4eo8_441,11.617963577220568,176.77480542631355,847.9002697489996,896.9556469119933,896.9706507010341\n4eo8,4eo8_450,21.281943491698488,157.17036781862566,754.0953153538446,794.9119218372899,794.9212988739888\n4eo8,4eo8_454,54.58227572730189,370.1623395585794,1077.4294337577203,1103.1806424821127,1103.1933913819826\n4eo8,4eo8_457,31.085821032832158,276.25842852550994,898.407998750755,917.2946295912345,917.3107719022311\n4eo8,4eo8_462,40.69132832545745,313.608961419477,1000.9283866351626,1033.6362371934158,1033.6476417612157\n4eo8,4eo8_467,55.23503541271738,347.83901516963925,1106.0752541270613,1132.520528752094,1132.5331208821744\n4eo8,4eo8_47,44.85390810051436,313.5534253749625,1135.0997926071875,1169.962565725718,1169.977440193269\n4eo8,4eo8_473,39.39960658519569,304.65067098434434,1037.3578828630343,1070.5848040201759,1070.5955061999182\n4eo8,4eo8_480,27.841791782362854,166.15752220307147,760.3269413752284,816.9817057736195,816.9858693112916\n4eo8,4eo8_483,36.728690569213555,299.261195404632,1011.0708943067827,1044.9688864911652,1044.9804184805832\n4eo8,4eo8_486,30.672484685325195,261.92680879782256,874.9236478346016,895.141292057093,895.1510883330707\n4eo8,4eo8_488,7.293588637999727,153.45715056119752,773.049399893236,788.9482142199552,788.9630656467987\n4eo8,4eo8_515,34.50090569245472,304.9578262526427,1213.7732934452647,1252.6377257717984,1252.6496215025722\n4eo8,4eo8_518,4.263367454793272,153.20813856843682,843.5169196826508,878.3551203310594,878.3701416055357\n4eo8,4eo8_523,29.72731523751096,259.74516771599144,991.6680742093355,1021.2096863734098,1021.2204032403813\n4eo8,4eo8_524,45.37906481373936,288.4620613767409,1057.4266646944372,1100.9898191661853,1101.0066547485455\n4eo8,4eo8_533,11.404817349871522,200.7615746929038,855.5937325301543,888.9858187130487,888.9967562779983\n4eo8,4eo8_536,24.759898061392043,267.51225606002333,989.8993402394028,1026.7360628272795,1026.750591091379\n4eo8,4eo8_552,47.573456377698115,331.42262764709756,1186.2441068987166,1230.1890952337312,1230.2060832957927\n4eo8,4eo8_557,26.954906081307904,241.04237429639028,960.571159447451,995.502116218874,995.5225021963064\n4eo8,4eo8_564,6.578475819782402,137.52813192370962,727.2894525678502,755.3512049463859,755.3620265083094\n4eo8,4eo8_567,47.45701596765689,349.1337345634188,1195.1530440161653,1234.2319169513464,1234.2494287098443\n4eo8,4eo8_569,42.08993127241794,343.561902237402,1167.828113831779,1200.9724043313317,1200.9853265669205\n4eo8,4eo8_572,7.574327514687818,162.4685946564707,815.9604315340331,854.0208068424661,854.0388355927128\n4eo8,4eo8_578,24.17756881554671,246.54329312366121,1037.0949070457236,1077.1413404996172,1077.1549395032764\n4eo8,4eo8_579,5.4765536210539905,152.1197839233654,828.5097600381268,857.756731612794,857.7700452763548\n4eo8,4eo8_580,48.1535808112577,328.4712567368838,1111.4728136479878,1157.2116219179081,1157.225600930774\n4eo8,4eo8_584,33.27718043822921,256.0137400081271,982.7892703670179,1012.0629220132514,1012.0805745197096\n4eo8,4eo8_592,32.85345837489752,276.26137173290283,1082.5685680466977,1127.445558645348,1127.4653322128752\n4eo8,4eo8_595,26.421795952529965,275.38663258915307,1087.6063726681314,1120.913180480209,1120.9274420894023\n4eo8,4eo8_597,6.823770353517075,147.24909599742927,825.1457853774396,860.8229139863458,860.8388775075211\n4eo8,4eo8_598,56.93946586831921,344.7731318454138,1119.7195417978385,1152.0252901655465,1152.0394670886715\n4eo8,4eo8_602,21.57895326792214,191.51753072888624,846.6557309035979,885.4843019050371,885.4925545362025\n4eo8,4eo8_611,20.742582669227566,146.6733044722028,727.8231951649168,776.4295416233467,776.4356779406097\n4eo8,4eo8_619,9.286472638501465,169.17411045255977,808.2634826463591,843.5829063689575,843.6068981007778\n4eo8,4eo8_622,15.401504855046486,140.65987725639,696.9555130630806,746.3078479443176,746.3179889465911\n4eo8,4eo8_63,87.35420315738446,479.1622128228906,1348.7302440707465,1384.2717466510219,1384.2860097082867\n4eo8,4eo8_638,22.454275448662145,227.89731027968983,892.3417768767398,924.3829913293134,924.3949296132986\n4eo8,4eo8_642,15.523068795834911,140.47846284624697,839.8800606653621,881.4384812095713,881.4509145095013\n4eo8,4eo8_654,20.442863172295464,206.11303685309144,969.5403002677479,1004.2669638121259,1004.2852716247666\n4eo8,4eo8_670,16.505048997918056,158.7340117314752,749.5404617630373,801.0920763628607,801.1019613229355\n4eo8,4eo8_673,8.254825100510368,109.75578429157098,713.5438083192347,758.9467307453328,758.953524792193\n4eo8,4eo8_690,24.95280982279586,191.20234356149658,898.9317517347995,942.3108188053336,942.3243447353856\n4eo8,4eo8_692,27.03586811552311,212.94484359781865,844.9701797609576,897.2429047545488,897.2587112739218\n4eo8,4eo8_695,18.23409741254703,142.3726247581267,710.3277278749893,748.9407618833178,748.9497790697327\n4eo8,4eo8_698,34.17857779980494,241.44659596381072,981.8194531493464,1028.9554883040669,1028.9736833811141\n4eo8,4eo8_7,46.17194677338511,264.97753370945316,868.9491993205925,891.3827134614322,891.4002183589066\n4eo8,4eo8_744,67.30243647333945,414.8689831858682,1279.866737160706,1308.1885216672256,1308.2026958386557\n4eo8,4eo8_748,76.12156614872741,459.1829903537942,1296.1643194479404,1328.073658599923,1328.0879662329105\n4eo8,4eo8_753,23.31161845479002,205.88674520027328,950.4730280809944,1006.571720750555,1006.5916611239902\n4eo8,4eo8_756,4.214236007890438,130.05763866868764,807.4479608281539,856.5744406288334,85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48551644,1278.222451128087,1278.2263445160847\n2yki,2yki_756,28.286389605215998,217.8606820334462,1276.013233601343,1347.4485612495866,1347.4513478680565\n2yki,2yki_757,29.19982127538059,215.46529486039387,1280.1670269123717,1347.9200241857814,1347.9229214266784\n2yki,2yki_758,16.36412729951542,211.70339496309452,1266.60824866284,1348.900338414372,1348.9025591997763\n2yki,2yki_759,7.433243188536409,133.97744652666844,1103.34118674511,1179.886862227628,1179.8923074149438\n2yki,2yki_760,49.1543382712605,356.5265047061969,1311.6440990769388,1357.6361511292785,1357.6390349558576\n2yki,2yki_761,24.81667158352749,190.0347262054723,1146.6560439801578,1218.7401045983436,1218.7428429819206\n2yki,2yki_762,45.82791819483902,339.8428619604221,1429.6591696530893,1495.9220937664145,1495.9242737486265\n2yki,2yki_764,39.74049268769727,326.4576200108865,1440.671612692509,1512.6841340890408,1512.6862919229359\n2yki,2yki_765,98.28970972949078,585.3023696103962,1458.252354018519,1481.618332766904,1481.620570720137\n2yki,2yki_766,62.325505217944304,401.4892042811395,1315.1104251778324,1362.1154203886776,1362.1179096125395\n2yki,2yki_768,79.20691962486447,483.6775003703037,1413.3408941861735,1456.2501274901533,1456.253072647115\n2yki,2yki_770,41.82592977032658,295.36585557387036,1246.7064729670699,1293.2067208162118,1293.2115026589279\n2yki,2yki_771,30.967573845200125,252.30690001715996,1149.3225830340862,1200.846802923434,1200.850318148374\n2yki,2yki_773,29.400212726010764,233.62024689021533,1159.4241011672245,1218.9543781199718,1218.958384203754\n2yki,2yki_776,28.4634199012018,240.31193501205578,1139.7790652468552,1203.900185107138,1203.9040522518503\n2yki,2yki_777,30.010554189275062,312.0205231595116,1151.6737243147422,1199.7467556282381,1199.7527473199034\n2yki,2yki_778,29.61004353072934,258.25733707135475,1216.1945720810545,1253.44781921896,1253.4504270883972\n2yki,2yki_780,87.3464250467021,569.8803059555896,1465.7683449304652,1494.8456716003,1494.8480052356992\n2yki,2yki_783,52.581979482741666,338.338541572654,1266.3483074055264,1306.0006057041107,1306.0045152982727\n2yki,2yki_787,35.48467026899595,302.8854148518728,1360.9474478559048,1423.5403766223992,1423.545401698789\n2yki,2yki_796,147.75464553801038,697.8589627138778,1704.8356007571501,1745.601126989032,1745.6042779022187\n2yki,2yki_814,142.19497298695805,717.0598354732745,1780.4246752187898,1826.0124886096348,1826.0173317145986\n2yki,2yki_816,137.21073007376407,705.0395356479268,1706.026222783813,1745.020517727524,1745.024072281342\n2yki,2yki_818,148.92016588141732,730.9176228324706,1758.5191810331564,1796.7565721651617,1796.7599432690909\n2yki,2yki_828,150.4635363176008,675.2517042381219,1696.780512054283,1733.2269232262693,1733.2301727270217\n2yki,2yki_830,138.11107009367282,729.4240625420751,1803.7897402069705,1845.483120714105,1845.486894929389\n2yki,2yki_841,144.69023714274073,744.5011816778044,1805.374671863107,1842.0123601486332,1842.0159508426052\n2yki,2yki_864,94.43799613057146,553.221065788559,1614.1537721882612,1654.242346879224,1654.245579426824\n2yki,2yki_866,75.44899649389787,489.24986095226615,1618.7066588153007,1676.8286542657765,1676.8317202679114\n2yki,2yki_869,9.701927297930085,146.90368739332894,1165.2578443178368,1226.043542740628,1226.0501350374084\n2yki,2yki_877,14.179064204872198,183.95190829650943,1216.5488768842256,1283.108322271033,1283.1119756159944\n2yki,2yki_879,51.665856644912644,369.67494134506074,1441.6566146937087,1486.1428766573229,1486.1460684937083\n2yki,2yki_880,36.47735097162596,333.83650907454233,1478.356481024914,1565.039162417314,1565.0419754291463\n2yki,2yki_886,35.22080919716968,330.8967102458121,1471.0745653614672,1545.1974630619761,1545.2002998571872\n2yki,2yki_893,159.62914296903824,760.2813193703081,1837.259044902371,1876.9675994270854,1876.971261564269\n2yki,2yki_933,167.06947912665754,744.1951905423837,1793.4756023730433,1825.3830624223917,1825.387318169159\n2yki,2yki_982,98.17816929182719,552.8731566110285,1598.4361300573341,1650.7046159979257,1650.7075672136339\n2yki,2yki_985,145.0154054427819,697.8455522671483,1733.690656553092,1780.612905443827,1780.61606088987\n3zdg,3zdg_100,55.69810673092212,289.1901102141538,575.9240853261189,589.6822127413475,589.6822286919995\n3zdg,3zdg_141,44.21973269472172,272.0495010938812,595.3565131387385,612.9096383955349,612.9096587954634\n3zdg,3zdg_232,53.339551140250215,271.0462748071194,550.6817483773921,570.3889661509695,570.3889850581198\n3zdg,3zdg_237,52.73870334932178,262.5249547184772,523.3902141055589,534.0015446627162,534.0015617906432\n3zdg,3zdg_266,52.886672140764794,307.29572673914555,613.6802020403773,633.9058790289891,633.9058928452288\n3zdg,3zdg_286,50.76222569523541,292.7966098091361,638.6212516787289,664.4080529162909,664.4080642458243\n3zdg,3zdg_300,55.70617772705704,294.5643463926029,620.5068830371949,639.5154103963351,639.5154299763341\n3zdg,3zdg_32,51.18221530820964,303.8901245351636,589.4083021966577,601.3653371871802,601.3653539733095\n3zdg,3zdg_425,44.15079284141748,278.74200080496394,577.329116862226,596.1396713906013,596.1396929682429\n3zdg,3zdg_43,49.587338863671455,284.6589939478196,560.3069558074473,574.6767232460905,574.6767534428911\n3zdg,3zdg_466,31.56503148289583,241.7403149046685,489.5876947893133,500.6666900046134,500.6667252845424\n3zdg,3zdg_499,47.531293776325924,263.30630289542546,532.9141500741244,546.1950728309191,546.1950889014995\n3zdg,3zdg_509,19.047403695090956,147.53833337061695,436.3378788366331,448.77224414180637,448.77225739513284\n3zdg,3zdg_52,51.352691500127115,295.13775529726695,595.3776487174733,612.8274828704879,612.8275101877821\n3zdg,3zdg_532,40.14418925828969,257.5380200162228,595.0257148204978,618.0342963114255,618.0343139508958\n3zdg,3zdg_538,20.618956230636662,167.9616257710284,472.5257127062423,506.9252274494541,506.9252592953849\n3zdg,3zdg_542,28.031275197425,167.06438315647384,483.76267693737907,507.6163904093136,507.61640043886763\n3zdg,3zdg_556,18.881887060461136,148.82247258338737,427.4978588046942,441.9663203610864,441.9663285974856\n3zdg,3zdg_574,12.985634254256405,125.37842486394686,406.29732675500395,436.7514219616605,436.7514323059502\n3zdg,3zdg_600,20.380354513540954,155.50092487760418,431.23741575781855,453.0258833019493,453.02589672451126\n3zdg,3zdg_653,45.180330316388165,277.04135356512285,617.9388248554861,634.6763655234998,634.6763814780348\n3zdg,3zdg_660,49.27531378179133,281.93347306097814,536.9790288520373,550.062135540559,550.0621552133614\n3zdg,3zdg_705,50.864097698403974,288.2411721481257,567.3505947699139,580.7696269906887,580.7696560703156\n3zdg,3zdg_738,47.58710287696141,303.261029191692,574.7400282405911,586.6873470331857,586.6873778466833\n3zdg,3zdg_753,45.85094535857615,275.221579128155,591.9959259371235,620.1247076366944,620.1247161850256\n3zdg,3zdg_758,38.23724828894204,261.7075085431142,616.509500422447,650.1726043145686,650.1726155547187\n3zdg,3zdg_764,34.34952278914509,245.84207825158464,598.3212159977833,625.7190721471834,625.7190959300785\n3zdg,3zdg_765,51.31907662289545,308.8551799143549,604.4736515655145,617.5619940297215,617.5620077039886\n3zdg,3zdg_767,32.42465742404082,233.99311751766498,479.95514037504427,489.842512907285,489.84253446806764\n3zdg,3zdg_774,28.570241315405173,198.582920235724,468.3291809438019,500.3265773941088,500.3266036484423\n3zdg,3zdg_778,50.258112738635155,273.64058122394755,617.7149144764281,639.9194369962305,639.9194505379413\n3zdg,3zdg_780,40.38712870242653,257.84274230458186,594.3337378176211,628.2681188965773,628.2681347174595\n3zdg,3zdg_787,26.81160563021695,169.68781591094995,472.46209673635536,500.41751648451265,500.41753720749006\n3zdg,3zdg_788,37.96142155925693,263.3505458347436,602.1077775143793,628.8583428740134,628.8583622904316\n3zdg,3zdg_790,39.001612572040514,249.12165355328972,505.42876013954367,513.9796564716589,513.9796840392925\n3zdg,3zdg_792,42.554360925530716,295.06085016289495,618.0415549766481,640.6217419256035,640.621752830737\n3zdg,3zdg_793,40.97387392888872,258.06181319042923,604.3166795844032,637.554967957871,637.5549790916197\n3zdg,3zdg_797,34.08277744189526,245.7743716976829,560.1033742505062,580.1366565990747,580.1366688025237\n3zdg,3zdg_798,19.79323545974444,167.15006494856914,311.2198662076454,318.6918742656719,318.69188718637383\n3zdg,3zdg_799,42.20528885169993,232.1733273765475,461.857198185995,470.37442906715717,470.3744599168066\n3zdg,3zdg_803,39.71429318634901,297.62047852045936,612.7341884449401,631.2071950788861,631.2072083730666\n3zdg,3zdg_804,48.36640647638168,261.56258957742165,490.9237977379933,503.3597363901638,503.3597670645541\n3zdg,3zdg_811,49.925718696567984,291.08982067980435,570.1827944283273,586.0504627663645,586.0504841586308\n3zdg,3zdg_842,55.72587388469618,272.0802458774946,547.2728245254949,563.0504084755443,563.0504223320069\n3zdg,3zdg_862,33.71934352838829,234.67262263945352,566.2725296011823,592.4415650959353,592.4415836306375\n3zdg,3zdg_868,23.19380990477736,188.93836804442122,499.06386623644084,521.8539343236566,521.8539607536121\n3zdg,3zdg_883,11.55230826487868,135.06743721177546,419.12769016151185,442.0998274726902,442.0998408229674\n3zdg,3zdg_890,49.30644324862887,279.02504975431816,562.0194816351477,573.6627987461583,573.662818806111\n3zdg,3zdg_896,58.62672819666184,294.1830524111297,562.1690167580831,578.3956321415366,578.395652232969\n3zdg,3zdg_9,47.39878953935676,276.7806333668592,534.8261367965383,548.3268821353602,548.3269071274628\n3zdg,3zdg_903,52.664606976210905,276.58327458585916,546.3835510417156,558.0872193746296,558.0872358289722\n3zdg,3zdg_911,14.46212164542359,139.04820596394575,407.7735256166532,432.52183267443996,432.52184439864595\n3zdg,3zdg_929,48.724566132186744,274.95775553755357,543.1860518622768,553.2923688896833,553.292390585643\n3zdg,3zdg_961,37.41638313998227,237.7059043228117,486.13001305919965,506.7629791777869,506.76300155652166\n3zdg,3zdg_994,45.9971938252543,252.42562020811698,575.5426440929309,591.2548646975221,591.2548821158452\n2xdl,2xdl_176,23.224154389531076,224.1817767167698,653.1093689405583,668.2846859476208,668.2846890013307\n2xdl,2xdl_192,26.09418263195192,214.10570614866415,654.3772601311263,678.7735288505878,678.7735345875755\n2xdl,2xdl_215,22.9151457095383,215.75594348160772,666.6905987281714,677.4338609335733,677.4338639335349\n2xdl,2xdl_265,25.34978910331897,218.6800313028922,664.3665067988353,678.2284335022526,678.228437931137\n2xdl,2xdl_268,24.085940467589367,209.71723195435817,619.7127413531583,632.9675170152675,632.9675192623974\n2xdl,2xdl_273,22.414797507946716,205.00834983615107,606.8164265752539,617.2697443811855,617.2697464445969\n2xdl,2xdl_3,25.38238754955258,202.13753318778197,680.9333019630756,706.5717658079864,706.5718299486401\n2xdl,2xdl_329,24.85112761540857,214.6233723488365,661.9960277357515,672.5885829004377,672.588586698585\n2xdl,2xdl_339,23.799484737783303,210.86631005090038,633.0282889947216,646.4708103016279,646.4708138153542\n2xdl,2xdl_348,22.91749345439473,210.4305618136083,631.673666284049,646.5883005625396,646.5883033884347\n2xdl,2xdl_396,24.818637393916674,213.432640042104,661.79464384552,670.2957690454014,670.2957732223044\n2xdl,2xdl_414,18.157212961834784,183.2596744400264,705.0869330864687,729.9168588178105,729.9169091460852\n2xdl,2xdl_417,17.5573994958158,185.07922186838059,683.867349601254,709.7161508098507,709.7161541144984\n2xdl,2xdl_420,14.086428542621961,175.3768876550708,631.823816150938,644.417584813851,644.417586592964\n2xdl,2xdl_435,17.443219150314597,205.24725486023016,704.1917927543793,720.2214569392003,720.2214595916219\n2xdl,2xdl_446,15.759834775751521,177.53261297248693,625.504441981334,642.6408410576414,642.6408428331508\n2xdl,2xdl_484,15.509377053117072,205.70336077225417,717.5628764934141,735.4959907830523,735.496001627143\n2xdl,2xdl_486,16.411920489588134,187.0767507433477,688.9828857886122,713.7130491216726,713.7130604056466\n2xdl,2xdl_489,10.304547489335324,175.03682976354125,666.0998214267565,678.9275992979461,678.9276051026712\n2xdl,2xdl_495,13.169157229740648,168.91175787436003,765.0738378278398,793.299104177008,793.3025697550703\n2xdl,2xdl_496,10.558639237928508,181.56270716868707,711.592578648107,738.5543664964107,738.5545471751835\n2xdl,2xdl_5,23.00555829883929,211.48355905296327,637.818722486708,654.5938804000423,654.593882820868\n2xdl,2xdl_500,19.03099410660825,199.89588242372574,645.1292397238426,659.4196362290819,659.4196393790236\n2xdl,2xdl_509,9.659621221684509,164.87119556978035,622.1969646055717,634.8899481199378,634.889988045036\n2xdl,2xdl_522,10.572279253845998,172.67892458468313,691.552071704182,722.0620015328565,722.0624129090364\n2xdl,2xdl_525,16.15232186088614,170.2086287587512,536.7147795568236,546.1428661203752,546.1428687826465\n2xdl,2xdl_534,20.522523863954035,207.46383197973626,627.4055826865981,641.5582571728404,641.5582595807275\n2xdl,2xdl_537,16.908738355414293,176.58420461936547,583.8884800660694,595.9167485948566,595.9167504002847\n2xdl,2xdl_539,18.073096439620663,193.1486090041031,711.027366900897,758.495759056577,758.4970250533249\n2xdl,2xdl_540,22.061267378259085,208.15080697085185,665.0647279662825,678.9709000622836,678.9709022937315\n2xdl,2xdl_547,11.717474266475278,177.4132952964961,724.2702547267421,755.3755811117604,755.3772959821787\n2xdl,2xdl_549,15.4906862573725,190.40076893893746,823.0982537822093,866.4266118549724,866.4281097445692\n2xdl,2xdl_55,22.59427503679048,205.49707483851788,645.5182282442006,661.3412918368768,661.341294953616\n2xdl,2xdl_559,6.735413868864537,157.99217049391464,766.8999454437168,817.8505033563295,817.8508583083499\n2xdl,2xdl_560,13.177326978621199,196.09603743862075,633.547113797187,648.5079285071843,648.50793084742\n2xdl,2xdl_565,12.9191570120225,154.0785260980994,736.6172533362433,766.8301632464194,766.8311156113955\n2xdl,2xdl_570,9.838653232897117,145.33199889296756,649.9126596174573,673.5397561137827,673.5398782956618\n2xdl,2xdl_574,14.536078055514158,163.81650966375753,643.3879154870665,659.2812608244777,659.2812635415132\n2xdl,2xdl_586,11.408252133759095,142.64971163055864,624.9720148093706,643.2013338499626,643.2013483023295\n2xdl,2xdl_593,21.128696889023402,215.93658228349838,724.1206421800879,739.8250225799965,739.8250248608211\n2xdl,2xdl_595,18.44520182976594,187.46114493921527,665.3939616096776,687.3997224507804,687.3997349204899\n2xdl,2xdl_596,25.636353705990064,200.5579017507311,752.1799186674189,785.0865866791191,785.0877322517879\n2xdl,2xdl_611,18.09329397175373,209.51319077806713,672.3644073418793,690.7912268051701,690.7912575704364\n2xdl,2xdl_612,21.21449434028189,190.90464674921535,747.8534193047701,771.3800714120832,771.3810747330589\n2xdl,2xdl_615,26.67477365587646,195.57059172892497,671.1389498684368,696.1452089003338,696.1454546333343\n2xdl,2xdl_623,16.621386927009972,179.25730795900603,673.6805717959035,693.0313300156183,693.0313739563853\n2xdl,2xdl_628,19.58226493237669,200.79058099972926,630.2360273630576,651.9328004463488,651.9329413614392\n2xdl,2xdl_646,7.175553828160861,102.95599559272772,640.7386210011605,675.494442601626,675.4944865172298\n2xdl,2xdl_650,10.317329357457922,184.86654039131554,753.4435029288662,780.0114344542235,780.0120504232717\n2xdl,2xdl_660,20.95863867849902,176.49623152371174,592.0354113885763,602.9270086981553,602.9270130255476\n2xdl,2xdl_674,10.36554660640393,160.2195580773552,684.8739181222645,706.6299552279559,706.6299708678184\n2xdl,2xdl_685,18.226120485652647,215.8234035580129,736.0008587295722,754.3210859369129,754.32137793573\n2xdl,2xdl_691,7.6671089295350505,124.96687518325079,542.2090879438114,558.3710282592925,558.3710296279446\n2xdl,2xdl_692,26.06238691377054,219.7440084674837,700.5852780246526,713.4642471901197,713.4642548625238\n2xdl,2xdl_693,13.895789332188047,165.626020620014,721.3384524906203,741.6346779266291,741.6346958438465\n2xdl,2xdl_739,22.65978075913649,204.82631849682306,644.8225031754943,660.6786278319593,660.6786300225986\n2xdl,2xdl_742,24.24489956036004,166.91531797340906,521.9447290481417,535.6983746201145,535.6984182309875\n2xdl,2xdl_746,1.172486212732519,38.009319510329476,428.8124469627772,455.5056698059726,455.50580921824957\n2xdl,2xdl_747,3.306142087772746,42.90989576055671,507.0329747131839,539.0361693295848,539.0364867455289\n2xdl,2xdl_755,0.9451694482012939,43.340636591533354,457.0408796436275,485.2592445590549,485.25946453097566\n2xdl,2xdl_763,1.126124774845806,39.091493649693525,485.9361503117059,516.7919047043201,516.7922487928909\n2xdl,2xdl_768,1.1220281413543192,37.89623817907869,498.76928799057544,527.9592755748898,527.959663785569\n2xdl,2xdl_769,1.077207663586536,38.9450824411103,499.11985205697664,521.8913788278115,521.8916347558036\n2xdl,2xdl_775,1.0940810465930726,38.424934014328166,488.9141351598103,511.0731617100583,511.07343599285826\n2xdl,2xdl_776,13.475659695713983,168.85926501471823,608.9469924137887,629.8434175481782,629.8434198822182\n2xdl,2xdl_778,1.1109141079809304,39.19696241765874,474.8432262396066,497.40334056264174,497.4037323045865\n2xdl,2xdl_779,1.0327593962859116,42.82395035900885,470.4419753984573,497.9347285624732,497.9349260337368\n2xdl,2xdl_783,24.57356501723769,191.45684230612065,760.9225069304795,781.8190579563301,781.8197996773877\n2xdl,2xdl_788,0.9229292456273127,44.76460034803516,482.6363667136533,520.5487003970911,520.5488640822822\n2xdl,2xdl_790,6.8927227085620295,146.95709200241927,637.1848351416361,655.2208234574225,655.2208413814184\n2xdl,2xdl_99,22.285657094661136,208.2100269818012,613.199044795997,622.758581609283,622.7585832978813\n4f9w,4f9w_10,109.6505152916445,611.6401932494383,1699.0740941330837,1750.5136396532566,1750.5139439740385\n4f9w,4f9w_113,118.37804107415344,589.5423869260992,1673.2505908165597,1710.7344206202747,1710.7346774290536\n4f9w,4f9w_169,100.47058996183668,522.0825669506968,1535.32090492298,1573.8904950869212,1573.890867471636\n4f9w,4f9w_194,114.91261519715762,590.7889241137087,1638.1898860259537,1673.8918410173358,1673.8919831322744\n4f9w,4f9w_25,121.25413128878864,614.0180129110219,1754.5469344462417,1788.3762155964935,1788.3763619843523\n4f9w,4f9w_283,117.38660887493222,590.7052979942965,1665.8966519254082,1697.432087185143,1697.432277510954\n4f9w,4f9w_36,121.78978484773724,615.0363274079705,1713.6553200985977,1754.0071318495063,1754.0072883131602\n4f9w,4f9w_366,97.26364125395452,567.1010107843747,1657.2226201279952,1699.1606106365023,1699.16080905492\n4f9w,4f9w_396,107.84927679130932,533.361464279486,1544.3317964556902,1588.5313032454344,1588.5314230550914\n4f9w,4f9w_401,60.48778649810392,396.6145137213034,1235.8964529625077,1276.064887161528,1276.0649237927655\n4f9w,4f9w_405,81.5016399314575,483.6775168770657,1426.767925913095,1467.6949961746861,1467.6950359176146\n4f9w,4f9w_406,98.40723192795794,499.869865704907,1405.7747271464486,1449.2807043295206,1449.2807842643278\n4f9w,4f9w_407,106.6628781591967,575.0308397043516,1639.1393896252387,1678.8743189732575,1678.8744241183103\n4f9w,4f9w_408,94.60155136355505,481.3062841646471,1408.2497769526676,1436.2771060489958,1436.2772328590713\n4f9w,4f9w_419,58.82168582100577,365.8868757610785,1252.737455052681,1287.3400843750464,1287.3402347413316\n4f9w,4f9w_421,19.537414604618785,239.2727414177126,1171.3183560937784,1219.1204045268241,1219.1206058521434\n4f9w,4f9w_435,89.31397206294241,525.2561746158316,1493.412662942763,1533.0577345280933,1533.0580194085608\n4f9w,4f9w_442,46.597526171398876,320.69147149854643,1118.144960975443,1151.6875301954526,1151.6875404640898\n4f9w,4f9w_445,62.57319877849078,374.0220255294288,1115.9644816585155,1151.3137496519637,1151.3139574218346\n4f9w,4f9w_452,48.30507719855143,322.19384009385817,1074.96352001915,1117.6416683495795,1117.641816827218\n4f9w,4f9w_456,73.0578766702232,468.38020756538583,1423.3612267921062,1459.9376776832057,1459.9377346892725\n4f9w,4f9w_463,75.65587323081982,423.9749907114346,1256.8389480441917,1302.3535318261354,1302.3535507728668\n4f9w,4f9w_466,53.158930386991116,334.5150919490794,1124.5268164504607,1157.0915632697534,1157.0916141824482\n4f9w,4f9w_469,80.06685031703464,400.9048358550946,1257.57199727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425,781.610875966541\n4kzu,4kzu_492,67.14080092608907,337.48746560880477,783.9596732904149,807.1152932171254,807.1152956354458\n4kzu,4kzu_497,29.317817097296462,204.3178037707288,564.5043936776744,580.1706383183435,580.1706404176145\n4kzu,4kzu_499,88.05844247169814,373.16030420170483,825.3971419800025,851.7733110698965,851.7733138247579\n4kzu,4kzu_5,96.54453756568552,452.8523870831066,1198.8703462748279,1230.687830560496,1230.6878340987214\n4kzu,4kzu_504,108.1734316487397,454.5685108889551,969.4810703961724,991.7668335582556,991.7668367569366\n4kzu,4kzu_524,98.77622353226224,464.76042336781256,1186.1656171787533,1226.867677822603,1226.8676816329476\n4kzu,4kzu_537,12.669102659339522,139.40796004448558,652.1482673708318,678.1367151342713,678.136719004652\n4kzu,4kzu_548,68.71777701239907,397.13787943358983,957.708846565878,990.2721637569994,990.2721674222662\n4kzu,4kzu_549,25.34463788841092,218.93800803501168,680.9376797286702,706.7577004577234,706.7577037183694\n4kzu,4kzu_552,36.43432109636501,186.51058351176536,693.5473342748022,732.8540144708899,732.8540157814224\n4kzu,4kzu_553,12.919062635411285,135.11998667482283,677.3117622628345,724.5947561592652,724.594759546229\n4kzu,4kzu_559,12.409941991261356,131.62170711466388,647.0956243521257,671.0218458199431,671.0218512078633\n4kzu,4kzu_565,35.1025810814844,218.4918483894533,727.7613554779874,762.562395731841,762.5623980369606\n4kzu,4kzu_569,42.784512345139206,232.7578268523134,758.6633795915418,788.3155800161759,788.3155818720974\n4kzu,4kzu_570,35.44064471746503,218.9729059867245,619.433987296354,645.3547629543152,645.3547652308176\n4kzu,4kzu_571,51.13578203777758,291.17981462273235,741.6979292919264,778.9528665565174,778.9528696202917\n4kzu,4kzu_574,11.73015561157216,136.0669846695482,726.3999930071211,763.2063315847307,763.2063353826334\n4kzu,4kzu_575,81.17174472345458,369.5897439682534,985.1395128308607,1020.0195195883233,1020.0195235407392\n4kzu,4kzu_577,24.137870291013915,166.18987102656232,691.6017447567915,722.7418582631807,722.741860859972\n4kzu,4kzu_578,32.62143431516197,185.36038153580148,762.0681698555363,790.0608011855505,790.060803749854\n4kzu,4kzu_582,33.20743647700842,201.68928884541467,731.290720218754,758.596434753389,758.5964371258655\n4kzu,4kzu_592,16.27988326878859,170.77567021875925,609.0132315066379,631.4138362964139,631.4138399556808\n4kzu,4kzu_593,25.92902999611009,167.74856992843374,654.3574161697792,688.9787538860395,688.9787555632339\n4kzu,4kzu_594,50.37012280015331,250.9348376023836,751.5431711598903,783.3678239078871,783.3678266054567\n4kzu,4kzu_599,47.99719226449174,217.63722749055714,697.1661970367106,741.9775414392024,741.9775429636929\n4kzu,4kzu_601,130.92180993311626,533.0392615963067,1109.4526325465563,1137.8598859329636,1137.8598880834368\n4kzu,4kzu_610,104.48407202733708,461.8245387944746,1078.6669753140934,1102.2239883756054,1102.223991118793\n4kzu,4kzu_618,84.68295211925924,467.9409020593342,1067.6355762389712,1094.7711310596253,1094.7711353290001\n4kzu,4kzu_619,32.30469114846966,197.83819270133898,672.0135329666274,699.8777274727089,699.8777289932328\n4kzu,4kzu_641,28.952307255643138,213.68749546981113,833.1370574052976,874.155747997009,874.1557511554491\n4kzu,4kzu_660,35.510069809994754,202.85673514699653,684.0812834134167,710.0470884409234,710.0470908317009\n4kzu,4kzu_661,97.54970567544737,427.1039125289639,1026.717209942615,1062.8539696393532,1062.8539719235744\n4kzu,4kzu_662,8.743236231823893,133.89194446292825,509.22274227291996,537.3430264148644,537.3430273149372\n4kzu,4kzu_663,44.63511276214504,240.22368268321765,753.4615171444193,789.0305998457621,789.030601117839\n4kzu,4kzu_668,24.647069678075912,149.81988824241682,614.7126486399784,647.5672356325249,647.5672382363394\n4kzu,4kzu_669,52.499775643744435,246.82551443477294,751.3436562893143,784.7087075552635,784.7087412386908\n4kzu,4kzu_675,58.89172911704934,293.82740291635594,793.607548884929,823.3832748991001,823.3832770790945\n4kzu,4kzu_678,10.03065305447319,125.05923338645219,553.2155020671194,592.5557548056037,592.5557571541148\n4kzu,4kzu_680,19.263758174032453,164.83248582234808,620.6729495763565,637.8415212585679,637.8415306573445\n4kzu,4kzu_682,27.98148295703403,179.0641166347554,637.9670671576249,676.6511615351392,676.6511644118822\n4kzu,4kzu_690,58.94750709960367,310.82410178552544,848.3360985784609,882.3522206718782,882.3522230083323\n4kzu,4kzu_696,41.403293613190606,201.21417007207964,749.008921492377,784.6794359740079,784.6794430223136\n4kzu,4kzu_700,29.230025056000976,178.0053820494274,648.6288621582445,681.9398595357861,681.9398915235382\n4kzu,4kzu_708,13.193905871484068,150.4930624371571,802.0849225557082,846.2648191922232,846.2648218250217\n4kzu,4kzu_709,24.948361836322405,170.93847294673375,694.427272029794,739.8299890091405,739.8299904814633\n4kzu,4kzu_710,9.68340634041238,136.16250344612578,698.5277040768405,733.3111437874951,733.3111471823614\n4kzu,4kzu_712,10.284568803436432,127.30139522389837,700.4190833605977,735.0710048489076,735.0710083783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10284,1281.2962086064854\n2xys,2xys_695,31.96249090082771,359.28104387360895,1186.1170704619037,1213.6600811472438,1213.6602715015088\n2xys,2xys_703,48.13133927977545,375.15669523707,1277.773543133459,1312.3838543022594,1312.3844701050225\n2xys,2xys_707,47.57012529615689,399.9592176632946,1287.7516313460067,1321.222702084385,1321.2233318680533\n2xys,2xys_725,36.85914396941094,381.1990874677477,1212.273962814845,1246.902851694939,1246.9053098981503\n2xys,2xys_735,17.09481062315134,255.78101528331325,862.0976817461067,888.5843871609386,888.58726777332\n2xys,2xys_737,20.977659160900814,327.8609651076273,1212.8317812573407,1242.7273013553358,1242.7284697053244\n2xys,2xys_742,15.549174456450277,226.95509855532555,997.1366875169804,1049.010477494694,1049.0106144610936\n2xys,2xys_743,23.807882503268566,339.25285111140073,1159.5916681953972,1184.3276357020939,1184.3282473525305\n2xys,2xys_747,23.017379337967775,262.81345378209596,982.0295116486543,1019.306948041957,1019.3080776277085\n2xys,2xys_748,4.374371640478098,118.60859129783022,1007.9292832923283,1074.463558653545,1074.4640730431508\n2xys,2xys_750,21.05280455082039,284.2921802503976,971.2348863344719,996.3100973727172,996.310180789891\n2xys,2xys_759,21.806332331838743,288.0295750679808,1006.5618589478328,1034.815867743242,1034.815876874508\n2xys,2xys_760,25.473353395866905,287.9760407447107,1021.381014082764,1046.0844746392102,1046.086587736996\n2xys,2xys_763,21.25524987473919,270.92503477880473,1044.04496849618,1084.1536806330168,1084.153699835942\n2xys,2xys_782,48.35878698643479,403.13532313623926,1265.4810061684407,1295.229680691366,1295.2301494602834\n2xys,2xys_793,33.574058205279414,375.14717162029575,1205.1628793499192,1249.9215372163035,1249.9223594707862\n2xys,2xys_801,32.795221735900064,377.74484914867446,1211.9530334799117,1246.7712059563928,1246.7722888801454\n2xys,2xys_826,33.501916468020724,333.31342020285837,1078.1307976219446,1105.304698655947,1105.305536167348\n2xys,2xys_831,26.818625390131803,311.0821671344067,1034.0563569827468,1050.274507925256,1050.2751936539653\n2xys,2xys_848,19.436741535319143,277.21706537975956,935.5840325433215,957.6730170414995,957.6753935688337\n2xys,2xys_855,28.410688464833495,321.27530120086215,1069.3936955733006,1091.1648955695125,1091.165654617272\n2xys,2xys_876,45.583885252924944,399.9353362712862,1252.709909132657,1285.0245807236695,1285.0248749697068\n2xys,2xys_927,24.649308239875527,314.4528404312689,1108.730785799502,1136.2142656240133,1136.214353106223\n2xys,2xys_937,33.43215195730801,345.46547121809414,1086.9207079750174,1111.7761450787239,1111.7764323932681\n2xys,2xys_940,34.275176352079484,364.30262510880175,1147.780863945098,1169.911546504171,1169.911679808617\n2xys,2xys_941,30.099999525863474,339.86707090999835,1070.660751274863,1094.8730225441896,1094.8731739789073\n2xys,2xys_953,24.224222025008565,338.75466405833856,1067.7415223735638,1093.7481266994694,1093.7511411393534\n3ehy,3ehy_106,64.03911544121652,298.95637955167933,887.0964357632264,917.8994862777347,917.9007479504965\n3ehy,3ehy_140,67.86077659575204,342.18516999817103,953.6727651605971,984.1347884873938,984.1361840409381\n3ehy,3ehy_141,66.61689689127738,347.4708226233604,981.9521168611116,1005.7580914265662,1005.7598799853488\n3ehy,3ehy_183,65.03183676003718,329.26120121224824,924.192066861375,958.0894485234163,958.0908193173508\n3ehy,3ehy_229,48.436263696919944,254.83123791497954,783.9269317128109,815.180165204952,815.1813555548315\n3ehy,3ehy_232,72.9483744472737,324.10819552551624,904.2026390223456,939.6844857928037,939.6858234287091\n3ehy,3ehy_309,66.8346199133366,325.19618111759945,907.4225917622256,940.6233529229723,940.6247320061053\n3ehy,3ehy_349,69.93357899266653,331.17164236585694,923.6009515645878,948.9782664331046,948.9797198038705\n3ehy,3ehy_376,75.60672388983909,350.653134798294,961.2559347811848,995.3319881439295,995.333455440789\n3ehy,3ehy_395,71.28603182447108,349.78134301892436,940.8064163960943,969.6793731836666,969.6807402788083\n3ehy,3ehy_406,20.866548216282705,153.08398196345098,713.0329100620444,766.6124685028439,766.6127236164809\n3ehy,3ehy_407,17.247197735988212,155.69940909209163,568.934524638899,612.6222863764032,612.6231932494558\n3ehy,3ehy_433,31.115819750717765,186.74963585885368,695.7302011586812,723.568605945682,723.5695347974666\n3ehy,3ehy_437,25.688969418932867,141.08359198480716,615.6715116164163,663.6980520853334,663.698907921291\n3ehy,3ehy_443,32.71639486052406,176.09434993325493,665.3583208405814,708.1912153131535,708.1923059644784\n3ehy,3ehy_447,30.963619029152092,194.85060906636014,633.7824737359699,670.0872139873961,670.0881246620244\n3ehy,3ehy_463,21.3326486426368,151.12516508599913,611.3355677300972,655.678424530357,655.6790198335675\n3ehy,3ehy_471,25.37801952074099,127.53721562715316,637.3843773768824,669.4383105907234,669.4383629217715\n3ehy,3ehy_476,16.304500275048134,159.81950538482997,650.5750423382927,702.9076331259218,702.9088317295364\n3ehy,3ehy_477,18.511690434713024,171.74263314025637,670.3484670124067,705.7758759750685,705.7765151913795\n3ehy,3ehy_481,43.602493174219404,272.1387594050294,868.0207587599959,900.4770235930366,900.4783098436006\n3ehy,3ehy_482,20.46974039526881,178.24731612289096,748.5109730588536,795.5699373475819,795.5707328604842\n3ehy,3ehy_485,21.145729708038914,161.7617040980951,644.5799272761946,691.0588152930152,691.0599615468487\n3ehy,3ehy_486,37.24677488191615,201.88342376592362,741.2383525937774,783.6982408066802,783.6990998156767\n3ehy,3ehy_492,56.747509406741536,271.5861763431973,796.4065018378466,834.4382731339955,834.439490894537\n3ehy,3ehy_493,46.17559663139567,247.5366667875683,735.1651042077303,765.9219078960278,765.9230306478387\n3ehy,3ehy_495,24.379847286983605,204.23236315516394,663.3232428789524,688.7715781056726,688.7729429816478\n3ehy,3ehy_496,60.77747593060404,324.51237956891964,899.7101369575336,940.928686926676,940.930065420993\n3ehy,3ehy_500,59.376324003157976,301.7340732885791,910.8444584896946,938.4475250595493,938.4487432968036\n3ehy,3ehy_502,9.325616541379706,121.2927493011796,532.1214485995953,551.7223408719688,551.7234858916372\n3ehy,3ehy_509,35.58690804723132,238.07288060888877,717.1924786202221,746.5675557130313,746.5695632741049\n3ehy,3ehy_512,8.891891790832076,136.18531860810967,643.1663738303818,668.838415064616,668.8389183958143\n3ehy,3ehy_521,8.322298684916689,126.32095889679057,566.3715888022192,590.1184248009462,590.1194322657697\n3ehy,3ehy_535,17.9823097254818,174.95466686683662,675.405767124345,705.9230117503498,705.9242620629083\n3ehy,3ehy_537,9.887606293017267,115.04956151697137,624.7166403619875,647.4484588180759,647.4495796230979\n3ehy,3ehy_54,61.84999647199884,310.3941896890834,916.8352457100785,946.2100622346309,946.2113998586279\n3ehy,3ehy_543,32.356721452572046,203.1141587476449,675.1078331984776,702.7643072555892,702.7653715350294\n3ehy,3ehy_545,18.505033846690505,169.5793164563699,676.7544487026347,703.9111571678955,703.9119962624592\n3ehy,3ehy_551,11.619155874937805,124.98189177274962,564.639404626548,581.3429570696951,581.3440976048544\n3ehy,3ehy_564,12.75695491773022,141.15996288466562,673.6715913762376,712.0538791045582,712.0550336034046\n3ehy,3ehy_570,14.426132496956356,141.39069889741526,607.3723532584798,634.257541498463,634.2586422355101\n3ehy,3ehy_576,11.563405686762414,122.70933717576871,573.0548272974434,599.7027491960482,599.7037299635363\n3ehy,3ehy_592,9.961006978434828,122.02044301026777,644.8613459095461,683.5154504986531,683.5165112275996\n3ehy,3ehy_615,22.14395181498621,162.114507379323,667.4749001287241,699.620295292821,699.6225793036385\n3ehy,3ehy_619,25.822903097411483,179.43821265270458,697.4272225082804,738.0844643109848,738.0860790652565\n3ehy,3ehy_622,12.764657198088676,139.27512938783363,655.0627071420669,702.0169181676331,702.0182339123027\n3ehy,3ehy_623,16.391155000180134,177.5652176975119,666.7574774773847,693.1864663045509,693.1883543753183\n3ehy,3ehy_632,28.51326960149446,191.86917739360396,712.0909946839738,756.6762745839824,756.6792815140134\n3ehy,3ehy_637,46.946863650497605,278.7118447430857,903.09830993435,945.2976051796859,945.2989440941548\n3ehy,3ehy_642,20.4090621781092,169.76570818856388,686.4067974369646,722.6433432303947,722.6446439864404\n3ehy,3ehy_646,55.92878179571064,299.49767505519816,892.4656746389993,928.7696821097551,928.7708557821045\n3ehy,3ehy_667,53.4775276887835,329.7635578291064,960.5523711359523,1000.0059634667123,1000.0077846137058\n3ehy,3ehy_668,10.195734801594448,158.9136185053281,648.8970858413994,683.7576938607715,683.7591344547791\n3ehy,3ehy_671,34.16004207753098,218.4888940266604,734.4177450562293,766.8456574768347,766.847156315148\n3ehy,3ehy_674,14.219524794088604,147.52718726278403,633.011449845071,668.6579278922054,668.6588563302042\n3ehy,3ehy_678,14.29652159951328,142.6459989186156,620.5532919881216,663.0481932449682,663.0495940071436\n3ehy,3ehy_685,55.5440719924856,328.29334817063904,977.5043105889129,1014.7007088616682,1014.7026866174991\n3ehy,3ehy_693,24.127713395746852,150.12936406354802,520.5122279182724,542.38165682969,542.3820150570704\n3ehy,3ehy_698,10.511704707895003,130.4446602429569,608.5075821088766,647.7559455402773,647.7573026455285\n3ehy,3ehy_706,65.36285219628765,341.31200261406184,980.2512434319297,1009.123399827455,1009.1246961074911\n3ehy,3ehy_719,37.65433209377192,238.05573901600965,805.5431829223423,845.6923311441516,845.6935329342614\n3ehy,3ehy_728,23.560859909997838,151.32393555367338,597.66083199779,631.2585231968454,631.2586529885144\n3ehy,3ehy_731,13.994977416962627,153.353504693025,662.850475324537,697.8454416931344,697.8465541732072\n3ehy,3ehy_735,25.39996424279775,153.0921294768472,616.396847353633,653.1986095402028,653.1987367138026\n3ehy,3ehy_752,15.200465991515955,162.74635761260492,679.3285803622514,715.3971710718967,715.3988166437399\n3ehy,3ehy_753,48.525755645236664,261.21292065542576,828.2955380333462,862.944965360165,862.946476334144\n3ehy,3ehy_758,22.087542711870874,138.1645533974043,579.8347810704348,619.3455898692844,619.3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112145768,174.2924309186513,623.1125922566981,642.9700659568389,642.9750034971695\n3r88,3r88_696,17.353638044966953,126.00709666776761,583.4063054252126,609.4152093684119,609.4274457089787\n3r88,3r88_699,5.391680822874582,84.45944145550459,575.368174384411,617.2533942824352,617.2593142244635\n3r88,3r88_713,3.6229459525166314,70.61634862285194,565.3857470213287,610.4440600342714,610.4524933030656\n3r88,3r88_718,13.583334519350865,106.17304764971419,617.2141821703991,665.3234319742801,665.3298214974734\n3r88,3r88_725,7.194346853057079,86.21022644836515,615.4995114971649,661.8012185805741,661.8048781683622\n3r88,3r88_736,11.435354533606958,108.6928244831729,518.6274593729127,556.2329022756447,556.2367462300438\n3r88,3r88_741,7.1288303851112325,95.86440475634706,651.3063881907242,710.7611751244098,710.764798954258\n3r88,3r88_753,10.883646251971106,91.43788419156643,488.161604010247,506.2557647246976,506.25891465570993\n3r88,3r88_763,11.922272814204412,135.38900521829854,566.02961187485,601.5652859570746,601.5679771614604\n3r88,3r88_769,5.397519268261242,83.07238299429868,543.3313166776343,592.5886908366898,592.593429000072\n3r88,3r88_773,9.298882774036892,83.53767937642603,630.1134908445044,673.5156230341644,673.5233799174657\n3r88,3r88_780,9.056576672783606,95.24818023383482,476.3604414605926,499.6824096142008,499.686288780132\n3r88,3r88_784,2.745552770358526,77.84140682879429,608.1158208147945,646.4735949207143,646.4820721667071\n3r88,3r88_787,7.452659123301029,91.45672979601208,655.5915097855282,707.931337284645,707.934436733675\n3r88,3r88_792,11.759827807021495,120.65086949528698,507.93175686257416,524.0710001106602,524.0744889220676\n3r88,3r88_795,9.886518531477263,96.35762794988685,660.1718122644588,703.4564529016046,703.4653932721346\n3r88,3r88_798,17.468691634260576,140.62914106334765,574.3400744507976,604.2426573274279,604.2444674181445\n3r88,3r88_799,10.112994549926782,101.98783262137847,491.3719948727795,520.736244538968,520.7411788305636\n3r88,3r88_802,38.63735820485875,201.66971551923922,699.8728490237118,720.6940515676117,720.6995924645553\n3r88,3r88_833,27.25919024160586,167.8992076959689,690.6121583529192,724.1163267105914,724.1271480583672\n3r88,3r88_861,28.948851412015706,192.853769044929,681.8239437022025,714.7292621956063,714.7351308410729\n3r88,3r88_880,6.87749909847668,96.23118623029069,715.5788486159817,771.1393389367406,771.14185642227\n3r88,3r88_883,6.802746873800452,80.74718123856424,619.1616899711761,662.1259721055719,662.1283136432967\n3r88,3r88_924,32.21303425659435,203.61793917916552,705.4514719251073,732.3812831396697,732.3877203417968\n3r88,3r88_931,38.48372266490101,201.94767858351705,705.0265883428401,729.5369980413672,729.5455013106982\n3r88,3r88_986,3.5519886925367024,67.18365084066905,520.9800147003283,564.286925148232,564.2949288780507\n3r88,3r88_994,32.871660736190265,183.04438574564992,665.7218140735451,696.9567725734631,696.961643460297\n3r88,3r88_995,13.030605942901154,107.36287651323636,540.5891060029763,581.207135888634,581.2136724633178\n4twp,4twp_101,58.53075577052874,325.0827361263971,1101.3833887613014,1157.6238335829598,1157.6249678081836\n4twp,4twp_102,93.14990106548836,448.65225662331454,1292.1080854203599,1325.4090996097075,1325.4115264679072\n4twp,4twp_106,137.1164091711498,632.6225018322529,1617.7024555427754,1653.0948871647272,1653.0977570233576\n4twp,4twp_109,163.06846926267022,709.4746064373272,1794.2193447559425,1833.4829553612387,1833.4861213031322\n4twp,4twp_129,99.6423325451614,442.72596520771873,1251.4195191170977,1293.0628397380517,1293.0644929993891\n4twp,4twp_164,56.57270496743666,353.2679297762074,1133.5968009009484,1203.73730632262,1203.7393849759194\n4twp,4twp_171,181.6307354754102,737.5397796441019,1796.4755937375176,1839.518880755483,1839.5220559864654\n4twp,4twp_175,56.92297394691703,335.16537394879674,1165.5612486227665,1224.495831403642,1224.4976938497607\n4twp,4twp_203,157.9820269637401,653.5153641931181,1675.928192987597,1731.8263340834849,1731.8310442653294\n4twp,4twp_222,168.25441025115396,690.0735258196419,1722.8040789559984,1776.5035734163682,1776.508064877282\n4twp,4twp_241,149.88291286535926,662.7638614832227,1697.0916403896074,1733.2581330232044,1733.2629925154545\n4twp,4twp_277,166.00337696174356,675.7715104121589,1697.2662227725468,1738.877846737027,1738.8809367238262\n4twp,4twp_284,159.37873261350637,706.8976418186126,1758.7892654908892,1803.6533160094007,1803.6579876441954\n4twp,4twp_3,28.291283084031516,225.23438682570074,985.7873207261002,1034.4814574521183,1034.4854170330605\n4twp,4twp_323,14.695475802975816,194.3412107169991,897.9970282951474,935.2081315684767,935.2090561391784\n4twp,4twp_327,7.810134909112245,182.1675804529058,938.7036667291679,978.0957608626512,978.0969828015782\n4twp,4twp_341,11.991276014759046,193.40601571560552,890.3566558824738,915.8912891643533,915.8941875250624\n4twp,4twp_352,185.14229470693724,751.7650576619899,1831.463009066046,1870.9853302761467,1870.9905590083192\n4twp,4twp_358,183.34251650599828,755.0933776036289,1839.5938273856693,1881.8782660091565,1881.881713540288\n4twp,4twp_36,30.330389034837182,277.98085953763865,997.18479041664,1042.3096965280822,1042.310358379421\n4twp,4twp_378,153.07062617723633,635.5457555541739,1662.2004633123654,1715.3693512841699,1715.3743934006377\n4twp,4twp_379,186.371710580311,766.6305558197305,1845.282452608027,1901.3932421812024,1901.3966730393288\n4twp,4twp_394,123.94575349470153,540.7654825574672,1407.7543434666072,1441.8599080062288,1441.8622324762807\n4twp,4twp_397,164.81646205614328,685.7390852399631,1755.1573561184223,1807.906617607084,1807.9098534969364\n4twp,4twp_418,118.0046087620809,606.2220539042521,1521.240374300794,1560.7563903442801,1560.7597996662646\n4twp,4twp_442,15.534438643435449,232.73972069496838,933.6444305243372,960.1559269816687,960.1594060932666\n4twp,4twp_443,50.5149402419932,329.58815798616774,1128.1919299411181,1162.8395120702917,1162.8421088352497\n4twp,4twp_454,120.10558385891596,610.1233623749449,1543.6296223298002,1585.7825815709073,1585.7845571545806\n4twp,4twp_455,74.37697855884514,413.7706765059717,1118.1198502621553,1161.1154921052116,1161.1173152485965\n4twp,4twp_460,96.89556527812059,491.113743548971,1330.5288244352264,1357.0318459525777,1357.0334292177868\n4twp,4twp_467,32.32273996438038,268.9529945700852,1057.3981971303338,1116.3198567490115,1116.3237125975886\n4twp,4twp_468,20.79782937014234,233.54001523492806,942.8854860696144,964.3996541848148,964.4020108076966\n4twp,4twp_470,21.429512989375457,241.55307874355717,904.7403069731147,946.7858804741156,946.7865075440569\n4twp,4twp_476,26.245551729600006,247.84155126389953,986.3017687469362,1022.985169317456,1022.9865663873728\n4twp,4twp_480,85.86418679622558,403.89118028791285,1200.1833829598609,1239.6967244724624,1239.6983597258904\n4twp,4twp_485,31.57431773389898,271.9214470311318,1019.8072403833064,1057.8916143726535,1057.8947731412682\n4twp,4twp_486,33.78608653845528,298.75677999603033,1090.0247779986798,1127.4718041745232,1127.4736106614616\n4twp,4twp_487,62.760731951643095,392.52301078816856,1137.1923767707033,1161.391844693302,1161.395775700011\n4twp,4twp_493,87.50751849061592,443.13422045249024,1315.286269446751,1362.6331283710351,1362.6381911925528\n4twp,4twp_513,142.87233346981094,674.6550867193735,1675.6660633874176,1707.5661795040141,1707.5700375752501\n4twp,4twp_517,110.32921226514199,594.4779865248146,1651.6922814471777,1702.2173738548854,1702.220781872266\n4twp,4twp_518,13.148724033306468,171.06475791017724,1005.6078429678561,1058.3763199125267,1058.3770290236362\n4twp,4twp_519,6.704292696712788,141.27583723205007,984.5408966020543,1037.4297308773866,1037.4303431196079\n4twp,4twp_526,46.71506900155496,316.7307215522662,1134.3664498024643,1174.1062581076258,1174.1089867973965\n4twp,4twp_53,160.9031941340074,708.074848116299,1768.1317606156906,1821.156351600335,1821.1593758274703\n4twp,4twp_531,134.03132349966302,595.1495297912016,1513.546096116683,1560.6633434680282,1560.6662078132033\n4twp,4twp_535,7.615381602569115,162.311287299484,1007.7286366926045,1055.0512739789428,1055.0517736028328\n4twp,4twp_538,5.467361999225711,140.47144536130907,855.0710048025957,891.1014326896938,891.1024374693598\n4twp,4twp_542,54.50629217464026,319.29728663522496,1103.7546616654517,1155.3088049648386,1155.310221164938\n4twp,4twp_550,12.36109746777537,165.80358624751793,1095.3141681201257,1154.177511412684,1154.1783231962243\n4twp,4twp_555,8.324223764878344,163.74928168627014,1074.608178940716,1123.0733852664148,1123.074300228034\n4twp,4twp_557,104.95506934093237,488.9757668257404,1407.925471885142,1446.3166911262376,1446.3187763440899\n4twp,4twp_559,9.22542407767068,156.50686569360417,1022.0675842315602,1077.114273129532,1077.1148118734607\n4twp,4twp_564,10.824490951788455,193.33329142940343,945.2204983420679,976.4964660538305,976.4974291693466\n4twp,4twp_570,101.6696064805582,467.3991485965927,1209.0373538442016,1247.6617301001959,1247.6627077951496\n4twp,4twp_571,59.20951629490718,351.628081174444,1152.571519171773,1220.060436859219,1220.0625625605012\n4twp,4twp_577,12.981737850356295,209.29411113157713,986.463348873122,1020.9612051886393,1020.9631949264364\n4twp,4twp_582,74.69737722335863,411.9429851458723,1337.4424277600629,1390.4603426457925,1390.4642208225032\n4twp,4twp_583,39.78756574529147,295.9714414654819,1128.0538096375617,1181.6336086184224,1181.63708627852\n4twp,4twp_585,25.223986831207984,256.00870359033473,938.6718642231937,971.5263538016544,971.5283126941123\n4twp,4twp_587,2.99344789331567,95.99071924377095,953.0720864117876,1024.6260963345505,1024.6266610707833\n4twp,4twp_590,4.804607493945726,173.48129794746077,925.7095112281513,963.5567453758439,963.5575351972425\n4twp,4twp_591,8.679797693904542,180.29161467546848,966.2087672427809,996.0631803719225,996.0650148834605\n4twp,4twp_593,8.08396916272901,163.4955558759907,1073.4271842119008,1129.1074417018517,1129.1079402854007\n4twp,4twp_596,12.182797364531025,197.5495056978145,1016.4048510299416,1060.2919046098216,1060.2946062370308\n4twp,4twp_597,14.811226611011566,197.9607049419937,1110.3682623287257,1146.7214499529632,1146.7240863925665\n4twp,4twp_598,6.892471805244767,159.05275097210873,1056.0070186798712,1119.4632691310135,1119.463850793278\n4twp,4twp_608,145.79138886991737,628.3696359500906,1559.9415007185758,1597.0141043430801,1597.0151718366737\n4twp,4twp_614,64.5898767885188,439.53956394659383,1324.3414970001875,1370.05807046746,1370.0626640702553\n4twp,4twp_634,120.27996803609673,614.9398185506934,1651.5956106680042,1705.1566730030804,1705.1609945455234\n4twp,4twp_637,105.06453740985154,448.69254184876115,1253.0519577657362,1286.8099453743084,1286.8119154459603\n4twp,4twp_641,56.92557156904914,340.7275140898798,1181.154057310565,1242.3965827836257,1242.3977645489442\n4twp,4twp_642,30.05530219642315,298.8461881081167,1178.116852766647,1220.8469115930873,1220.849378282377\n4twp,4twp_646,32.35304164430742,267.7225566291743,1004.9975281366625,1033.6722998415246,1033.6762083115107\n4twp,4twp_648,19.310853303064185,217.4854692612765,1017.6539259826468,1068.500247666189,1068.5008646622455\n4twp,4twp_653,8.97939522555999,182.46053955931876,958.5958044727394,988.1852386566343,988.1869437444253\n4twp,4twp_654,34.49818502711172,231.44246634469476,928.8092370604842,997.3571581412053,997.3606155226848\n4twp,4twp_656,10.312433572942965,180.33841774079778,751.9150059682496,782.8841064756139,782.8856530523842\n4twp,4twp_663,18.299870330656216,261.5371577604473,1026.7606407904816,1061.8833697424013,1061.8852017762613\n4twp,4twp_664,29.608405542710226,245.61361438889605,969.5605080808001,1003.6529345055864,1003.6536111863109\n4twp,4twp_669,16.288985641739885,249.42133887522155,1016.5752772957607,1053.6814403920882,1053.6838746142375\n4twp,4twp_673,26.54172963235675,269.70032161300776,1131.5153665793732,1184.7829291187431,1184.7853915001185\n4twp,4twp_678,13.579637124292823,195.80344243485473,1075.154395391502,1107.742088188702,1107.7429150604878\n4twp,4twp_683,81.72938666872395,463.2354326656912,1295.3705756330169,1327.7911215670651,1327.7921712403722\n4twp,4twp_684,134.93069506861372,565.0422361045607,1443.7580435245447,1487.1594918743133,1487.1602552151612\n4twp,4twp_687,70.30346847273287,427.1656775657095,1409.665224625443,1457.4439459958337,1457.446577682391\n4twp,4twp_692,17.126644619909946,201.72910208074182,1066.0497085154516,1106.5617013106976,1106.5626525226423\n4twp,4twp_694,21.08495053410622,240.21537086865197,1017.863732188079,1057.385084102234,1057.3879810009869\n4twp,4twp_697,9.033821960176077,141.85297356106813,880.8908062006511,931.6954167013017,931.6960511090832\n4twp,4twp_699,26.26539059318638,209.77134655005077,995.3505047679319,1029.5515074256373,1029.5532818727095\n4twp,4twp_809,68.61891529571993,395.8427984836899,1288.6387916947037,1341.7048276219255,1341.7067055815662\n4twp,4twp_899,157.66299085826174,725.5952150697132,1810.533916681635,1853.5657761749324,1853.5691844874932\n3jvr,3jvr_137,19.688444812403468,144.18887749685726,669.6563471060118,707.7364456785879,707.7529343488071\n3jvr,3jvr_154,14.436358169928587,135.41253544584222,559.956709802973,590.3785977421604,590.3881054094423\n3jvr,3jvr_162,20.242311914678073,143.96306783998097,665.2191925097449,701.621886242725,701.6376734345064\n3jvr,3jvr_168,20.733429654613165,141.68165776289902,603.9165727953952,632.1719075428848,632.1927002209512\n3jvr,3jvr_171,12.503782833717006,118.39189163681853,555.0365395953828,599.3446219697174,599.3536207554961\n3jvr,3jvr_187,15.47908139676662,177.71057204874035,652.0123484723938,673.9847866924819,673.990990695846\n3jvr,3jvr_195,3.2404833306181104,110.0250885240254,528.6547561593145,545.2585869679137,545.2619214260747\n3jvr,3jvr_210,6.738365656485973,118.01373867852864,593.7003720150984,620.7145927907601,620.7292215505558\n3jvr,3jvr_225,5.089990109158311,93.54922413617753,566.2241546025433,583.7630686622342,583.765397120394\n3jvr,3jvr_229,27.13278804869228,216.76376212084028,745.9536387412016,777.4634365712724,777.469721158191\n3jvr,3jvr_246,7.9542858134386725,152.82946514482217,631.407342313212,663.5746770517395,663.5802755447083\n3jvr,3jvr_275,3.827596241169908,101.1423268165117,531.2101980810132,564.3541138370524,564.3562310830123\n3jvr,3jvr_290,4.3082134768752836,103.5772258106725,555.0987173428837,587.4260888960795,587.4278845489355\n3jvr,3jvr_297,4.867515826203614,120.09761657238454,543.6421226109666,562.5043976241598,562.5105287695325\n3jvr,3jvr_329,0.8394232062399557,62.72707919220215,519.4164050278476,552.6910568765613,552.6934756635553\n3jvr,3jvr_330,13.925241946852738,117.23988994468354,526.2876344573457,572.7145731079451,572.7274605911119\n3jvr,3jvr_332,1.3258900517919914,84.03239601157189,510.6728852591933,545.2070858510141,545.212105204244\n3jvr,3jvr_34,3.0532342888934574,89.15147542047113,527.0291661727244,559.8423271059697,559.859666355607\n3jvr,3jvr_349,16.61741670399655,174.56351802808737,665.8924421142582,692.9603080862346,692.9755418241355\n3jvr,3jvr_355,14.467929738273922,162.15150639332944,657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75.1270762312113,1085.0729094250719,1085.0729101889538\n4f2w,4f2w_901,148.41699241731266,592.6125410945568,1124.3988609655341,1141.7520492484764,1141.7520507766842\n4f2w,4f2w_907,162.55233865976385,613.8314783643215,1152.4953874040857,1172.2546096145559,1172.2546106370341\n4f2w,4f2w_917,155.27958109375794,612.5070403685554,1141.476577244885,1157.0857581835633,1157.0857596675864\n4f2w,4f2w_922,154.86885890400555,567.5762057727427,1028.8492358875872,1045.4351086030908,1045.4351093004811\n4f2w,4f2w_979,153.4282852437675,605.6391251676752,1140.8633349581794,1155.0974549173984,1155.0974562907065\n3p5o,3p5o_104,73.99131552741737,510.3220160719806,1559.8978748191737,1596.3787072260125,1596.3792444591843\n3p5o,3p5o_108,86.40595123230116,540.934722524589,1670.8566292835958,1707.9401084592325,1707.9402020372574\n3p5o,3p5o_114,72.94899217348802,541.4626754231913,1624.7150178272884,1667.4215393493773,1667.421767110216\n3p5o,3p5o_126,83.55371317302927,534.2638884523288,1649.486029454829,1688.5407956486347,1688.5408706124263\n3p5o,3p5o_141,20.687937677612464,240.4177063053226,946.3265071179453,976.9116553923436,976.9126004884773\n3p5o,3p5o_165,44.86647502719291,354.57226379921354,1300.1923320772516,1333.4459489492704,1333.4460169036654\n3p5o,3p5o_236,47.841519049668285,356.63861278044493,1282.0869968280658,1334.9044682853405,1334.904477543795\n3p5o,3p5o_238,84.48584670859421,542.4553084733344,1669.8027391312123,1704.7277110679056,1704.7278278171036\n3p5o,3p5o_267,79.4690451505831,504.8277698897703,1637.0681011864908,1677.8102437026682,1677.8105632233721\n3p5o,3p5o_287,82.60875587367418,525.9213809889304,1653.6447619908747,1685.5577393955757,1685.5578495656846\n3p5o,3p5o_413,35.32720464370141,334.4781063303423,1320.941934999922,1362.4210862567816,1362.421091480488\n3p5o,3p5o_414,18.672897716696294,290.6280506839426,1204.6724116341902,1253.8908337960893,1253.8908531340987\n3p5o,3p5o_424,22.118865584391123,276.2622792265554,1225.8642219390426,1267.9474144253438,1267.9476172989362\n3p5o,3p5o_427,24.615594124056777,301.245756035537,1172.3841028522884,1212.932636221291,1212.9326912188776\n3p5o,3p5o_429,34.09058748675506,315.89628114505433,1230.7781762938034,1283.2929090918492,1283.2931403416878\n3p5o,3p5o_439,32.61595402330833,284.89868679844983,1209.9991301596106,1246.7587776582855,1246.7592335053364\n3p5o,3p5o_440,63.34633842887726,406.90504410928315,1401.247713874673,1439.8865973236773,1439.886635211127\n3p5o,3p5o_442,56.018685296802,410.9277901070099,1378.129391547392,1414.9222591395744,1414.922474636664\n3p5o,3p5o_443,16.782507149562058,273.78067291403283,1187.580376408864,1227.7196812664558,1227.7197024110267\n3p5o,3p5o_452,54.40762793489543,370.87691211261705,1286.4269892227298,1333.2610588036457,1333.2610727794956\n3p5o,3p5o_456,36.58120151793714,341.11785027138666,1246.6841938081159,1285.8439956721277,1285.8440043350506\n3p5o,3p5o_457,78.48382979163571,491.50535286188943,1504.4526923095398,1541.3605762362295,1541.3606632714022\n3p5o,3p5o_462,23.97641137995107,287.9989331516022,1237.9637402795256,1274.5613188259767,1274.561395683136\n3p5o,3p5o_467,19.90742805008076,314.1810620105611,1252.386232933161,1283.343460351129,1283.3434797773689\n3p5o,3p5o_471,32.89050578223385,337.32761821507256,1259.2499321215316,1294.9037284762783,1294.9038656830182\n3p5o,3p5o_510,69.48211899976326,459.6884440291962,1484.1491350445779,1529.6085799540895,1529.608788971076\n3p5o,3p5o_513,74.10197081763734,488.4139909470515,1549.2528180929294,1583.8311831943247,1583.831744935209\n3p5o,3p5o_517,61.77407130834612,462.0940792046834,1456.7445935936612,1496.421023511661,1496.4220366398472\n3p5o,3p5o_518,62.633371076950716,476.6226757052447,1495.4072087415032,1534.1588582601387,1534.158985546598\n3p5o,3p5o_521,66.6505321364486,531.0999889290568,1569.4325507950202,1605.126528850538,1605.128111529345\n3p5o,3p5o_531,48.06058875008218,446.5748954876657,1469.2443778477173,1502.5847999364191,1502.5851123156663\n3p5o,3p5o_538,29.83756232708747,322.59419463033333,1265.768570767141,1314.659078228652,1314.6593400467634\n3p5o,3p5o_540,34.89958942638011,350.8356021622372,1262.9912297560627,1298.8589333241316,1298.8590488426235\n3p5o,3p5o_543,27.94990053400833,291.1754942075093,1140.8730372316984,1178.3636262810912,1178.3647126507951\n3p5o,3p5o_551,10.544337346851298,211.41216305636075,992.3292626058034,1022.3007690974872,1022.3008023139286\n3p5o,3p5o_566,7.141354645407686,116.93086081694982,874.062765072376,920.661400640582,920.6619130437429\n3p5o,3p5o_567,29.432770789296626,298.2561587331992,1087.1638932668352,1118.5759544401842,1118.577047276777\n3p5o,3p5o_568,56.2190426091968,425.27290146239096,1406.1226219795094,1448.8249867846682,1448.8252228944825\n3p5o,3p5o_569,37.79560599528536,288.66534423375697,1103.2036048108496,1141.143935287612,1141.1447383756265\n3p5o,3p5o_570,13.87794836919392,185.78008362102904,936.4180880959603,975.3323404474013,975.3346424052739\n3p5o,3p5o_576,18.02027637515941,174.8382699246401,988.9542449958028,1025.1761250226727,1025.1765954263938\n3p5o,3p5o_581,11.985775563066527,210.449946097693,958.9667636351202,994.5858049843083,994.5866300022636\n3p5o,3p5o_588,16.533697212417547,228.56417543332432,991.1436404108613,1019.5779907195493,1019.5787788650499\n3p5o,3p5o_594,10.02671637706431,199.0837159628896,981.1819053054645,1018.7697742411228,1018.7698514269457\n3p5o,3p5o_595,47.1772458174053,349.97899310591555,1299.0278684197685,1335.3381823351585,1335.3393350858883\n3p5o,3p5o_596,40.78739187754336,359.778000773648,1299.1292337176837,1342.8918428273182,1342.8919044404036\n3p5o,3p5o_597,53.002243682005684,392.1249590944034,1223.417914356025,1257.0435811638838,1257.0454612829142\n3p5o,3p5o_632,23.353899323769607,297.940107078373,1154.8483027284587,1188.1849112333946,1188.1853385798133\n3p5o,3p5o_650,43.56604154628416,337.9120474512869,1245.8285733196872,1280.54842126223,1280.5484745585306\n3p5o,3p5o_652,23.73897115443052,215.38975428173688,1078.8131572376922,1122.3010109926668,1122.3017421382513\n3p5o,3p5o_658,50.92674418555404,436.1711714794846,1434.032667617396,1473.9755624599377,1473.97633825724\n3p5o,3p5o_679,14.131514834612245,216.29399707055438,965.9102553830962,993.3950985887053,993.3962187315536\n3p5o,3p5o_680,54.947998326782155,355.24167814160967,1190.4746437257402,1235.3563215003637,1235.3566133891752\n3p5o,3p5o_686,31.959757950344223,317.48306930736,1153.2035058619515,1191.1728872711421,1191.1749915000505\n3p5o,3p5o_689,40.46254990494035,339.06227398378286,1332.7550715731297,1370.1135532675708,1370.1137988738103\n3p5o,3p5o_690,26.24162443549893,259.8979126238987,1041.9165476115102,1076.177966344249,1076.1780931763178\n3p5o,3p5o_692,42.71662304544326,320.3080594670781,1228.469191942891,1265.6945458917428,1265.6949507507106\n3p5o,3p5o_694,13.902731069544568,194.16278443089806,987.84260880635,1006.5276835087069,1006.5285707441236\n3p5o,3p5o_695,48.57938073953526,330.1110619489721,1187.9460399402128,1231.3370175902223,1231.3395118602054\n3p5o,3p5o_700,56.10827006226106,446.6727807489317,1559.2529011149427,1612.6230485870146,1612.6232208937627\n3p5o,3p5o_724,15.87402654546907,261.3426267309979,1085.819969098369,1118.1838924206036,1118.184021635147\n3p5o,3p5o_737,61.66217594190067,436.9937462558473,1405.7289222832226,1444.601323967298,1444.602205062619\n3p5o,3p5o_752,8.869494277847958,154.64471288721035,865.5985278393396,908.9498785611534,908.9530249811962\n3p5o,3p5o_759,84.78166320233746,543.4704892221478,1672.9173750174841,1710.0525166289374,1710.0526869845326\n3p5o,3p5o_818,76.74872738088276,546.9669412303223,1668.1201989486044,1709.2776241711204,1709.2779848514908\n3p5o,3p5o_835,64.70959538035724,479.70114749854594,1527.9062399339791,1568.3821983543928,1568.3825110964247\n3p5o,3p5o_840,75.36704544174172,540.6814111812412,1630.4897499619196,1667.5884179117597,1667.5886701235984\n3p5o,3p5o_853,58.107909832202125,445.4584565305099,1388.8251533770094,1422.7163393175856,1422.717161074372\n3p5o,3p5o_926,56.25355465392938,469.7922620771951,1470.0143422819845,1503.7845105109454,1503.7846298794166\n3p5o,3p5o_93,84.51504409507434,534.8769044230805,1647.4571940871715,1677.9994301858294,1677.9995683036293\n3uev,3uev_117,54.042416466011325,260.6389405068272,498.6881458384091,509.70414994255043,509.71143037497546\n3uev,3uev_178,57.37981451285564,285.0892118489871,571.7536955462024,581.5800528200925,581.5878935407444\n3uev,3uev_194,60.703033506952664,281.3440242964421,524.0596017689841,533.71423315438,533.7226416335965\n3uev,3uev_233,17.350901229220536,170.28208800734672,377.00054325474764,380.41475802100183,380.4160364642509\n3uev,3uev_236,48.99226331713241,276.6223911369543,581.984813938758,595.2765453670204,595.2853352209893\n3uev,3uev_249,36.98166446924398,236.87297627164577,547.1866413032934,562.4429699889565,562.4487086731169\n3uev,3uev_266,19.482137765798832,178.60683758325902,418.1806525793194,422.5316516208803,422.53271463767567\n3uev,3uev_272,19.286869043130693,175.28679358033725,422.10997673691327,430.56444269517465,430.5653024643447\n3uev,3uev_277,20.69073045669085,177.4195009372555,410.7352653795815,420.6863964439052,420.68774507314384\n3uev,3uev_290,55.539837830314916,284.8933596515377,584.3422369720332,596.5505094328914,596.5606825244347\n3uev,3uev_36,43.28423716039077,246.33478628511747,529.7598802542636,541.318428480085,541.322196220814\n3uev,3uev_37,45.91606398530277,249.6306346601313,542.7112479540514,555.5831559791421,555.5866968491551\n3uev,3uev_420,14.220438342384558,159.86254663751996,326.3663714463605,333.15462408293223,333.1554523035566\n3uev,3uev_444,29.028359573932303,220.2506574431266,427.9363961180608,432.2860243057881,432.2937008513344\n3uev,3uev_451,22.724697268292623,170.37317819399948,416.4725927586127,423.7667126808919,423.7680951246158\n3uev,3uev_452,18.276227023541157,190.98198502580038,441.5823438015506,451.6366383417361,451.63782295743187\n3uev,3uev_455,20.4776267400913,178.88857753696027,427.7087521672977,438.7815702675136,438.7824427083651\n3uev,3uev_456,32.229333174194586,218.058564509335,400.9366351616884,404.8903374893224,404.89541928921625\n3uev,3uev_464,19.013436315613113,153.5172624874258,306.6092709460384,308.7376431008238,308.7400726409428\n3uev,3uev_465,37.35382864138503,218.58003164499596,469.8414276268626,479.7194472993417,479.72395763398566\n3uev,3uev_467,26.348110161463755,199.30608934643985,374.4826366823903,378.49727006177665,378.50225953045737\n3uev,3uev_474,16.14730754220486,174.98992393133116,419.53557726751023,434.1609204431458,434.16177957423815\n3uev,3uev_475,14.445508706056026,167.0382581738125,333.9946291544612,338.92487406881526,338.9258091501298\n3uev,3uev_483,35.65047506467741,211.1228317637178,485.8933915942149,500.7624973032136,500.7658660448915\n3uev,3uev_488,32.39716945164646,216.34004908840438,495.2665063298987,511.02516664078337,511.0299670273798\n3uev,3uev_509,13.264590248317168,159.3392697818054,488.3401109763553,502.3528267157946,502.35492713221663\n3uev,3uev_544,27.810970424313222,204.1530894469048,538.6037037773632,564.8152070791922,564.819286517315\n3uev,3uev_561,19.76240539287655,184.3809839999149,514.8580793693665,543.1516961072524,543.1554280844719\n3uev,3uev_566,22.33334386265687,196.78681722937557,521.5030473042076,542.9868123312384,542.9902129326248\n3uev,3uev_569,22.606943534714887,199.76526992582063,526.2218542843061,550.3029850540187,550.3069362596955\n3uev,3uev_573,12.262263538982006,156.11496506553792,457.0349269773691,475.8709815306037,475.8769331844047\n3uev,3uev_575,8.955947154298066,150.99039227592894,490.5353658210005,511.0138384084711,511.0172702424921\n3uev,3uev_580,15.5791058360731,181.7472679016516,415.95692818442217,420.6659204252945,420.667265230586\n3uev,3uev_583,5.963191991920131,118.97266211833542,450.74866300962634,465.7377537565126,465.74244197243013\n3uev,3uev_585,52.37767610716371,283.2028710449873,586.0191236077304,598.6731853305148,598.6795097939897\n3uev,3uev_590,11.941155157757942,139.2233548600787,461.3611666288147,474.3661713740735,474.3688977237078\n3uev,3uev_591,15.569042603931116,169.8438038089058,461.9693363490266,479.1527915791465,479.15750383220455\n3uev,3uev_592,15.080559214799255,190.13539102704863,500.9932595068426,509.8901887272458,509.8921771374451\n3uev,3uev_598,15.994671109116192,190.7409853602452,518.9690747830504,543.5921230834518,543.5939089263835\n3uev,3uev_603,40.052144445842316,230.4886607504524,535.5159317237352,547.2044920198456,547.2108161933577\n3uev,3uev_611,43.59458610437705,259.776598208358,587.4628110575582,601.0301428568274,601.0381935802191\n3uev,3uev_619,37.543415123749746,243.07408529586746,578.8074868237404,597.9103544075763,597.9181581232388\n3uev,3uev_62,39.51534404572595,236.07199645201322,527.798606392595,537.0626388548435,537.0660303969477\n3uev,3uev_621,50.044612543987014,262.37054776061,569.2144555801414,587.2286574099107,587.233791610162\n3uev,3uev_645,8.834905355920817,139.74712596399104,448.6420606297635,466.3909932065652,466.394561959655\n3uev,3uev_655,37.82052984268453,231.42959108890707,656.0223533053448,674.1679397774467,674.1748157782085\n3uev,3uev_659,39.759411183663076,241.86143556044723,613.3116111821257,636.0347808500246,636.0426405426823\n3uev,3uev_661,27.69258838385218,201.76275078021877,504.0347378002803,519.0945521370713,519.098968772136\n3uev,3uev_666,27.25437846595119,202.1343626331218,564.008804788936,583.4590545184473,583.4645944782866\n3uev,3uev_673,5.828255301297148,131.2374575135079,518.2128178787967,544.1789823472867,544.1815679096072\n3uev,3uev_675,44.55451247282683,249.25494053303052,593.1066853716814,609.5058111012203,609.5127303726507\n3uev,3uev_684,33.99343640244168,205.47188527671042,681.1940201695535,711.9116400057103,711.9175201670823\n3uev,3uev_695,17.14735348307882,134.40987869273604,549.0538526524239,566.0384441369594,566.0449149860372\n3uev,3uev_700,50.42537954638458,283.3889127610829,621.8152568159959,639.5229337628451,639.5307998851431\n3uev,3uev_72,53.15699614802123,278.36756764803613,563.333067015211,573.8228255969037,573.8310019714854\n3uev,3uev_731,17.123293868230206,172.65269224418952,388.72703993774564,397.2398488035527,397.24100019415334\n3uev,3uev_749,30.977799033260972,246.03245419382515,502.2193316374543,512.2992087176679,512.3088721796846\n3uev,3uev_766,18.527485247309194,186.77304713734407,524.7152561106425,549.1191928090183,549.1218821650571\n3uev,3uev_778,31.622410792600522,240.0449051194208,587.4845749145119,602.2980489764677,602.3027648039501\n3uev,3uev_793,18.757311261878744,171.03668942433896,407.23962246212255,414.44616516965567,414.4472137535391\n3uev,3uev_794,42.55969079410842,251.9063240382215,564.6279121269672,574.9403388770278,574.9475307421744\n3uev,3uev_80,40.23076788951535,239.91186230176348,519.8019745492775,537.4168281071663,537.4194017142088\n3uev,3uev_800,14.354597563037379,157.66570936565188,319.74450422772384,324.68412527358777,324.68502518779485\n3uev,3uev_830,49.7048225942554,253.76836580092427,490.76632607443474,500.40418562169594,500.4096136083282\n3uev,3uev_937,17.305632012642473,167.36558445371318,387.26772935453386,394.6234475824709,394.62427519172184\n3uev,3uev_957,48.65954825262401,284.1901986262629,586.775085068449,599.9330345467012,599.9386633433753\n3uev,3uev_975,32.03859021976848,242.0637847104558,520.9099632950971,541.2623489301607,541.2684090938674\n2c3i,2c3i_16,47.14074282053805,343.89862062675815,1049.2818724384892,1091.0352978251753,1091.0369164041795\n2c3i,2c3i_32,16.459124467614025,184.06467994435775,847.1544038574837,884.2898253305029,884.28998842699\n2c3i,2c3i_338,46.88027754012137,315.32156250702917,958.655773034231,975.330739668329,975.3316511212308\n2c3i,2c3i_382,34.97226433310603,306.4070672493351,918.8267730164984,948.7578915282936,948.7610184548906\n2c3i,2c3i_387,56.24078733925193,352.95656254533844,1047.45624115197,1078.585206789938,1078.5868015441547\n2c3i,2c3i_389,44.39089891275036,285.0637229567218,865.6283005326239,894.453450736101,894.4555891112799\n2c3i,2c3i_403,30.125079154265435,268.5274882705874,887.3097366845556,920.5818432399792,920.5831720530053\n2c3i,2c3i_412,24.991992843490905,209.16036896999705,895.3647136262409,936.839174719032,936.8393402665367\n2c3i,2c3i_424,18.898955501331983,205.25616823463423,839.2104554485921,875.2345593037443,875.2356854914207\n2c3i,2c3i_435,47.23469292247548,313.73429293423,968.3197645457726,989.921652478845,989.9225207907348\n2c3i,2c3i_441,16.94927661437066,184.7013828633238,820.0209040226324,856.8630366999513,856.8632500965098\n2c3i,2c3i_444,18.886064886210765,222.75105581234033,842.5002217044512,862.3720182580118,862.3721856434197\n2c3i,2c3i_45,50.457297688696165,333.97053259954225,995.5589687884624,1034.1141455673983,1034.1147457486688\n2c3i,2c3i_453,55.7240390831853,322.2159623369831,994.9908793508175,1020.4609744973271,1020.4639432474903\n2c3i,2c3i_456,21.606413127656307,241.78566077101027,846.2528630397121,873.054956087978,873.0554478207785\n2c3i,2c3i_482,21.442029127743044,257.1173535885698,926.3253323106464,959.7403410258026,959.7408603652402\n2c3i,2c3i_491,39.833376476863336,318.9263517376025,1002.1333115461426,1038.8156573757724,1038.8167835461375\n2c3i,2c3i_494,22.034432720769427,250.3596309088382,841.9012882462722,876.4555628982981,876.4577871412381\n2c3i,2c3i_503,27.7464294502997,234.9579032669269,961.1152895200706,993.9747221382671,993.9748733241474\n2c3i,2c3i_506,26.76669525760863,225.01084522950876,820.1967344453941,848.2482997571057,848.2492881026997\n2c3i,2c3i_507,7.695412474115081,172.16720324239958,859.0316762216943,907.6337516355791,907.6365186159061\n2c3i,2c3i_521,21.861356130733938,238.2692650952269,946.0000353242265,983.0466108814217,983.0484430786673\n2c3i,2c3i_522,26.559377447657496,252.93023994412096,836.370975979297,869.8972490153728,869.8973685101528\n2c3i,2c3i_556,33.591542171406246,317.74610804538764,1063.1857198910823,1094.0182816292165,1094.018485408808\n2c3i,2c3i_559,12.900252193414298,203.06380707609736,910.4515228175263,951.8963067709394,951.897698554782\n2c3i,2c3i_56,39.76279212265301,276.83016652471116,984.9088023524795,1039.2690537850829,1039.269841015623\n2c3i,2c3i_560,13.896059279416058,204.21276943023534,914.3846907463229,956.4469434443771,956.4477375047899\n2c3i,2c3i_571,9.571198132826687,175.48877997237093,887.6913289739323,928.394813207653,928.39520227582\n2c3i,2c3i_573,41.098195319704494,269.7058979018538,984.247427473678,1020.7799188858814,1020.783196297242\n2c3i,2c3i_574,15.626445911119642,221.25523864415135,991.9506520305398,1037.182165673375,1037.183743163867\n2c3i,2c3i_580,28.36501142331742,254.48784743700963,897.8788102911639,928.9157062599868,928.9170288048821\n2c3i,2c3i_590,27.104064163154142,233.9534174232237,855.3874339973827,896.2132570709499,896.2141947001697\n2c3i,2c3i_592,34.00211835151133,262.3672329746315,946.3422453861408,987.2316974975703,987.2345236619658\n2c3i,2c3i_603,19.324066755796697,218.1787181429956,998.8987226690045,1032.4699146335136,1032.470461728412\n2c3i,2c3i_609,36.350280486992766,284.0636759746104,890.9942464922408,924.6113064443946,924.6121521125176\n2c3i,2c3i_619,40.1374199404734,287.8458652664638,919.1029165580102,950.4593701616992,950.4601492508478\n2c3i,2c3i_62,49.13378751292328,311.33964174767686,967.487430352648,989.8773678286941,989.878340029985\n2c3i,2c3i_637,14.938527199749137,230.79627762410894,753.5046600526596,781.1651560971294,781.1652246182119\n2c3i,2c3i_650,57.59000491359901,336.0710172635189,1027.9050989337775,1058.1409940727074,1058.1418193819054\n2c3i,2c3i_658,14.696468041200127,182.7305105183753,943.5428500434963,985.1525446365767,985.1539786391438\n2c3i,2c3i_659,52.13665012001511,334.7957068943234,1047.6519997805692,1084.6266936803354,1084.6276366016461\n2c3i,2c3i_663,15.789505240588277,180.60552946733134,837.864590203835,870.5981577538231,870.5982425767663\n2c3i,2c3i_675,18.991352529782873,235.15311163069944,1002.6424272665752,1038.033240984036,1038.0333206214614\n2c3i,2c3i_680,40.590000503484255,329.6001592314228,1008.285146228539,1036.2916598188306,1036.2927155908033\n2c3i,2c3i_687,15.51662575413517,187.85573006710382,910.4084175454414,955.8358190463026,955.8359165738312\n2c3i,2c3i_690,33.917793456770276,268.372858109363,1043.6499690194125,1089.1239727751217,1089.124718144225\n2c3i,2c3i_693,38.77327806977679,298.4640294019469,978.9275789933833,1001.4365086159653,1001.4378195801011\n2c3i,2c3i_696,8.002606064778883,162.6101575128537,672.6829685981988,710.2034170331123,710.2040823284202\n2c3i,2c3i_699,10.558713640495482,149.39140697555186,818.0740884329978,853.875780470935,853.8758481163667\n2c3i,2c3i_719,22.93145412884471,212.12031917730374,985.8868939976969,1036.8043785130428,1036.8058619582134\n2c3i,2c3i_720,49.559854336058564,332.0972474283499,1028.5126737931937,1070.539614036982,1070.541391978845\n2c3i,2c3i_729,56.76226633967019,351.03981325518373,1043.5850622161938,1079.3839974362,1079.3849892547407\n2c3i,2c3i_734,49.63649209701299,335.89558408482003,1005.4366385787405,1045.2651603597194,1045.2657727255623\n2c3i,2c3i_743,18.681002237509354,210.13715788575237,948.2394749267542,990.8867675389714,990.8878748134623\n2c3i,2c3i_746,22.8519682129285,251.3684810402944,871.1389700002136,903.0467139386548,903.0476563250728\n2c3i,2c3i_749,25.24335401841899,212.26331944266235,890.1567806421803,925.7667076669253,925.7683544000491\n2c3i,2c3i_799,49.911231346540355,354.55747191985904,1064.4399553384376,1087.818936012603,1087.8202952605754\n2c3i,2c3i_818,45.05153393275751,331.6402384604299,1075.669887393055,1110.8592665922072,1110.8596337223028\n2c3i,2c3i_823,51.84519746380567,346.8694821713745,1061.3340218447997,1092.138998330899,1092.141427824384\n2c3i,2c3i_846,48.02256044264711,346.4091058882732,1046.8329564553737,1076.1604304371783,1076.1610205426502\n2c3i,2c3i_857,54.92832381174535,347.41683164494856,1036.7798108762145,1063.30522068715,1063.3073050069179\n2c3i,2c3i_861,48.8520560240565,345.791261673197,1043.4688685475164,1075.0382615261049,1075.040794767135\n2c3i,2c3i_895,50.589880088422774,341.9419015832883,1003.0109538412825,1030.5825577343896,1030.583843390037\n2c3i,2c3i_917,53.46622199496176,329.8017745639561,983.9458888086417,1017.7968118295203,1017.7979378376776\n2c3i,2c3i_954,50.0441889922974,330.3816448379116,974.4958962651546,1010.7313210908841,1010.7329216874649\n1gpk,1gpk_159,45.7830794074412,279.58273782615714,848.9810056416811,866.2654919175407,866.2677881084302\n1gpk,1gpk_182,49.982968223458904,278.80241581636244,803.3597834755474,822.3221465990717,822.3243609003584\n1gpk,1gpk_194,45.87953182001535,277.1715653864051,822.9212961445696,833.8858467784137,833.8875546639591\n1gpk,1gpk_231,31.404824054389298,230.02199796849308,700.0909913379014,713.6495190765096,713.650785315258\n1gpk,1gpk_239,50.29225571816158,278.8613762111789,796.8724881316384,806.9164221933617,806.9181421959444\n1gpk,1gpk_267,42.06936328387673,248.4025712056488,664.0784100933334,671.7710110232412,671.7720272194355\n1gpk,1gpk_280,50.957523723088265,246.09086362019826,695.1085775243738,700.6515126899768,700.6523153592497\n1gpk,1gpk_328,55.04604798790487,302.9424240430642,842.2582173650508,856.3285235205558,856.3299874016201\n1gpk,1gpk_364,51.055931084489465,280.458291981186,818.0732591154546,830.5054787306238,830.507139405067\n1gpk,1gpk_404,30.613060032420254,239.9113861869071,638.8804106741288,650.6699276700064,650.6707362427187\n1gpk,1gpk_407,66.08213976285073,308.05511844826077,814.1874966234333,833.248007329892,833.2497455949735\n1gpk,1gpk_409,49.936221298638074,269.660813663514,717.0755263908736,729.9494717665668,729.9510101544346\n1gpk,1gpk_415,46.145474377051364,271.591629458895,848.4240129886758,863.6490970233793,863.6515306035619\n1gpk,1gpk_419,44.68396890390777,267.0444337477782,749.9120953516284,758.8206783232675,758.8217583765702\n1gpk,1gpk_420,40.234015683627696,244.46126573457994,736.9545745706478,754.7976609727389,754.7989690149882\n1gpk,1gpk_427,52.04590260648409,287.32689397281916,836.8520804768146,855.1872930415784,855.1891091136625\n1gpk,1gpk_428,31.883591937673668,236.2832289778907,784.7605569789952,811.503922233494,811.5060358419306\n1gpk,1gpk_429,36.63096831690362,261.7116541111065,766.0624248562036,779.7225752629624,779.7242440023914\n1gpk,1gpk_437,51.3239135918657,257.19074556090226,675.3468743566793,682.804137027592,682.8049300134894\n1gpk,1gpk_450,29.421519179553123,249.32687111438614,786.1606425203366,803.7198697095615,803.7219004909341\n1gpk,1gpk_46,45.137785438843274,271.8689585509978,800.5956767393247,815.0653583308122,815.0672557674842\n1gpk,1gpk_460,43.571259211187595,257.3510985394587,758.479312972995,771.6552362770143,771.6562539463405\n1gpk,1gpk_463,58.8828671903629,302.49705942118203,810.3476653997881,820.1948448271908,820.1968862761623\n1gpk,1gpk_465,44.82689676885214,283.23829796061864,783.2751116107734,798.4206677987714,798.4225920101468\n1gpk,1gpk_473,31.271472187583996,243.02400189501878,759.2624272597382,772.8861439964533,772.8878413854254\n1gpk,1gpk_477,26.521057976346654,216.12606753323078,707.893715007607,731.8560430124674,731.8580775783996\n1gpk,1gpk_494,28.084156245452046,228.82338204956073,722.1789750249492,732.7816219998399,732.7822518402426\n1gpk,1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198,143.98021027188466,391.99212205562446,411.9904775510723,411.9905600616721\n2ymd,2ymd_687,25.277440738291492,151.06157621038673,432.99780606255894,441.86517326417055,441.8653635300883\n2ymd,2ymd_688,20.75086165941067,124.83220125890581,498.5762726148022,536.7692666547929,536.7693218116771\n2ymd,2ymd_694,20.15927799697728,141.5022640779459,539.1080479380973,559.9988330025045,559.9988948290617\n2ymd,2ymd_695,39.18011154820052,188.1081516952709,465.8421282665156,477.46183668376375,477.46205315171625\n2ymd,2ymd_773,39.17638841572802,197.53368393492153,510.9025426139032,526.5796063379555,526.5797940922165\n2ymd,2ymd_889,37.17080617025431,182.08466853661074,499.3195304562467,510.49027953997376,510.49047672662806\n2ymd,2ymd_89,34.01764015716717,187.36358041885447,516.4373454766916,526.4190768893957,526.4192802638378\n4rfm,4rfm_113,157.35161468522406,740.7565180094978,1904.6180455625451,1968.8713456698351,1968.872056390149\n4rfm,4rfm_140,32.910425626303656,255.6565833658501,1395.5812252124513,1461.2149679738645,1461.2153417137224\n4rfm,4rfm_185,139.47651544588996,699.4394674768193,1822.0251916001455,1867.3396980073935,1867.3400915422842\n4rfm,4rfm_191,102.68006306315364,504.9020072635366,1641.4995231052746,1703.1630852656294,1703.165046243571\n4rfm,4rfm_21,145.70314492871353,636.5156415219171,1822.0334376479755,1888.4780765441265,1888.4800478869063\n4rfm,4rfm_223,21.93209375117638,209.27375449416388,1375.6309406939215,1449.5712903127362,1449.5718681425428\n4rfm,4rfm_233,146.94041567321526,668.8520409075074,1887.7932805057585,1952.8412250496558,1952.8418027766959\n4rfm,4rfm_259,12.49099523000218,232.14534169919463,1251.3542574132487,1326.288038855261,1326.288517217914\n4rfm,4rfm_26,65.63798803520534,457.35018557644287,1494.1531935634396,1552.143678614137,1552.1439789620713\n4rfm,4rfm_262,12.784896491275747,161.3174355625419,1193.1574085094169,1276.1567799546287,1276.1574186850228\n4rfm,4rfm_3,72.61164486390336,495.18233923602645,1537.1811107064696,1583.1944292315025,1583.1949926299578\n4rfm,4rfm_31,53.559475979972255,410.3347672546422,1434.183894116002,1491.4038307687013,1491.4039944276485\n4rfm,4rfm_313,19.14960336256296,205.464872059457,1042.373840740098,1090.6963725542012,1090.699317937679\n4rfm,4rfm_319,7.8901479278272015,134.02999383669464,953.4954873016086,1027.3883079306754,1027.3908424413792\n4rfm,4rfm_321,25.15023891017111,231.11050929527735,1237.067403250117,1310.814235552295,1310.8183142734704\n4rfm,4rfm_327,159.21623864625954,691.1374636350658,1902.4523615485032,1955.100255245644,1955.1012134408538\n4rfm,4rfm_344,9.541967973793811,140.2295510772231,879.4013052084836,940.7857136028052,940.786214110165\n4rfm,4rfm_350,11.475278655878924,151.37084942424707,911.8605064796311,983.629750474774,983.6303207357528\n4rfm,4rfm_353,142.18419556431718,674.6614188631454,1881.460313613112,1936.7580918746617,1936.7596969670597\n4rfm,4rfm_354,155.76452730713405,724.3489616523146,1936.6097301566913,1992.7977635773764,1992.7989063635011\n4rfm,4rfm_37,142.42701072432476,680.7838275952446,1799.5969821815786,1858.4068689922256,1858.4076399188314\n4rfm,4rfm_39,8.04120436520745,171.01272413702867,1007.3141104433851,1056.1423626639594,1056.1431048888423\n4rfm,4rfm_402,6.121145590013111,137.18780671302463,1027.7936961006671,1099.1482773558814,1099.1484342821486\n4rfm,4rfm_404,6.744594533275946,164.13917770588483,1268.8708266929355,1368.1489313614477,1368.149401649099\n4rfm,4rfm_412,29.456724922428798,229.74347674552,1323.097501135189,1392.3748419608403,1392.3758922591417\n4rfm,4rfm_413,15.343440593826651,171.3580333080977,1187.5731545927504,1274.7841615899065,1274.7852074271734\n4rfm,4rfm_43,31.377637914390473,293.69863588679794,1114.855135956426,1167.8186894994003,1167.8191091300696\n4rfm,4rfm_430,70.47418584376584,410.4062377057295,1521.8693433994686,1608.408928862934,1608.4097652527278\n4rfm,4rfm_440,5.305609926107532,147.09131034490267,1308.5909334348958,1374.2099121808988,1374.2102285499182\n4rfm,4rfm_453,28.952683939484235,222.37836248637748,1289.1548010013373,1344.465657366794,1344.4659266143067\n4rfm,4rfm_458,76.07155918255852,398.8447792800911,1474.082347050007,1546.3945495373073,1546.394814695313\n4rfm,4rfm_473,21.79711208642853,188.9192076581363,1236.189902486287,1300.2683835237694,1300.2685686357502\n4rfm,4rfm_480,23.611363347331032,317.993436146908,1464.0700012082195,1526.9398635921973,1526.9401437600889\n4rfm,4rfm_487,14.58100510196305,159.88118164960017,1325.7737261285906,1414.327981923019,1414.3294437225325\n4rfm,4rfm_488,26.793258646697012,196.82544170520825,1204.1640403499189,1263.3321299121258,1263.3332459730484\n4rfm,4rfm_497,52.211684223794784,337.5415793313991,1409.4404943274749,1509.6874676714806,1509.688216219009\n4rfm,4rfm_498,10.98866817744166,174.7270284335501,1321.4177795309463,1415.785684158993,1415.7857321917418\n4rfm,4rfm_506,8.57586214699601,146.37969801320543,950.8132304151937,1022.6614217683568,1022.6617720744716\n4rfm,4rfm_508,103.73336562020313,517.1794961699101,1685.8020742002172,1737.4547072478688,1737.4552952890426\n4rfm,4rfm_514,11.664988315636418,170.59244746073983,1083.656080984041,1146.1600760024985,1146.1603558787103\n4rfm,4rfm_524,116.03946382592649,579.2345645824845,1785.7984337903947,1849.1723060344918,1849.173721906984\n4rfm,4rfm_529,24.559429260588214,191.76412666352047,1099.2544526286472,1172.0210010002806,1172.022833120236\n4rfm,4rfm_533,55.93167106732279,414.54206272436323,1419.9149346506576,1476.2686696247479,1476.2695944127954\n4rfm,4rfm_534,6.337615338881048,128.10460480813902,939.397722890872,1006.4236654509466,1006.4268847591711\n4rfm,4rfm_536,10.265454703980634,178.22010968415603,1096.3748388314489,1173.6458784306822,1173.6463686045347\n4rfm,4rfm_542,26.923275028522585,222.12623493447637,1274.7250286197145,1346.2418587954203,1346.2447622579193\n4rfm,4rfm_545,11.375259784866937,163.47752928242514,1067.2877144879108,1135.6387214348833,1135.6404278533996\n4rfm,4rfm_553,19.18612065663641,211.68869463377638,1190.360667705999,1258.8927756730009,1258.8933465154114\n4rfm,4rfm_557,9.598645308338323,169.70461621806734,1070.6412727250017,1124.4028207087595,1124.4066169018024\n4rfm,4rfm_559,21.772645610648887,205.30534164600252,1134.5130905386413,1213.3055103100367,1213.3060374363142\n4rfm,4rfm_560,24.57232659168122,206.07818565789313,1128.6805173910843,1213.6012908670239,1213.601598097276\n4rfm,4rfm_562,12.53069606062546,164.7392863488907,1012.8072702466178,1094.3286025947316,1094.3322417730913\n4rfm,4rfm_567,6.341247635957161,178.3730617111239,1012.1676081363181,1075.7885095798508,1075.7899539723012\n4rfm,4rfm_569,6.250137762217667,139.9631917137507,956.6638950907009,1008.3723651692846,1008.3725774047622\n4rfm,4rfm_577,41.541933193337876,236.65104349455726,1202.4760436485294,1277.4454570727962,1277.448729609603\n4rfm,4rfm_580,32.7587909474026,276.5066527900713,1149.0049275566687,1222.5458005988035,1222.5464543874073\n4rfm,4rfm_588,15.423814858989191,162.38083333557853,1035.9881660488552,1097.9932009668794,1097.9951928594853\n4rfm,4rfm_589,8.061383993436667,147.82660788169224,924.8087436039143,1002.1833556936166,1002.1881792702619\n4rfm,4rfm_592,79.05002161679661,406.12911022622353,1465.0561197114343,1525.38118436763,1525.3822053064741\n4rfm,4rfm_593,16.135078449299822,170.44090199025436,1077.151304311976,1143.069770368102,1143.0740348921952\n4rfm,4rfm_598,5.75452206264684,107.96103959088292,741.2959597580011,784.7905866529305,784.7933228622717\n4rfm,4rfm_612,132.32047742779272,668.9377140993084,1882.418544126193,1952.6053075765308,1952.6059917626221\n4rfm,4rfm_627,100.20157246702829,551.0782803708923,1768.5384855091747,1851.4984520446458,1851.4991116588233\n4rfm,4rfm_629,10.491119664195079,196.75751001293236,1088.3020284914032,1154.5549491671902,1154.5554117969189\n4rfm,4rfm_635,125.24103212623785,604.4943586818656,1767.1016063440075,1824.8761868473503,1824.8772043798544\n4rfm,4rfm_637,6.968271007852719,159.05293238118378,1037.2317702019461,1108.293285969296,1108.2959852947065\n4rfm,4rfm_639,9.087638976746714,161.73344631724328,1139.895957788442,1230.008081389233,1230.0087215640992\n4rfm,4rfm_640,13.245487989679107,171.2847617402986,1269.9749979599214,1343.1524232845445,1343.15489818039\n4rfm,4rfm_641,27.02472261898027,277.0010030214418,1282.796608103965,1383.7493150106268,1383.7495655469857\n4rfm,4rfm_642,84.50633286885301,503.95211710649613,1706.1701221325436,1776.4558630601937,1776.4566875510202\n4rfm,4rfm_646,26.200497915901188,259.57483859070044,1144.7598966623966,1198.344915936567,1198.3458712193453\n4rfm,4rfm_650,28.07742114773917,324.6699006591382,1448.490653882123,1537.2406248658383,1537.2418142156782\n4rfm,4rfm_652,72.58542766097624,341.5968220249287,1358.5539636219467,1420.6684132596733,1420.6702935963872\n4rfm,4rfm_66,147.30415009178935,679.2615748311356,1844.2463595759627,1896.1635611586903,1896.1656078242172\n4rfm,4rfm_665,25.223316230693364,254.11974581940754,1073.4328652309225,1123.2620288033831,1123.2628578124047\n4rfm,4rfm_667,46.41119069221411,254.14618320399342,1185.8695469722786,1246.7552918682852,1246.756213879119\n4rfm,4rfm_669,29.468529048059946,211.37986803374622,1088.3983795332538,1152.2156245398808,1152.2169910703929\n4rfm,4rfm_670,45.29487710888085,363.35790455554496,1344.7035407155258,1389.7446947982048,1389.74536130503\n4rfm,4rfm_675,26.987938411629045,315.1247957822388,1238.8432286564937,1295.7787262973966,1295.782903003733\n4rfm,4rfm_682,13.455934448996558,185.17355968847758,1087.0406728686405,1162.5845717437594,1162.5860807551878\n4rfm,4rfm_689,2.347338033874631,128.82889235772222,932.1951873553382,992.8716969271726,992.8728514295589\n4rfm,4rfm_694,2.6696018593168733,112.0264352762584,889.6541901192085,951.2340277471167,951.2362596329067\n4rfm,4rfm_729,108.930215336726,518.4024993064335,1668.5135671893238,1727.9677886745783,1727.9692940259101\n4rfm,4rfm_732,74.52127927772405,462.24304070655023,1603.0878581223844,1678.3455591499594,1678.3461702978052\n4rfm,4rfm_744,12.365500751945426,177.55038009873508,1134.4964453097211,1199.7075557931591,1199.7077104302014\n4rfm,4rfm_747,14.145939961596266,180.7721700822019,1186.0831332616378,1276.7881295878049,1276.7883019770163\n4rfm,4rfm_748,21.221261720933782,187.70687124100064,1168.8017399043977,1229.2693605449228,1229.2694018723885\n4rfm,4rfm_798,142.836784338143,715.0170224890354,1885.1177869340322,1954.2906855935244,1954.2919010447997\n4rfm,4rfm_85,166.95984415390453,746.3384129366244,1961.0861542921032,2013.2834611732792,2013.2849852204959\n4rfm,4rfm_863,113.62838998670881,520.2991713694016,1673.555852995973,1739.0518446707301,1739.0523656401144\n4rfm,4rfm_869,105.9796568419464,514.5264605666493,1691.2446986048394,1758.2697711850712,1758.2708480636643\n4rfm,4rfm_9,174.239413340437,716.8408242005387,1917.2606259237814,1971.0463388935923,1971.0478782911634\n4rfm,4rfm_936,110.66882083896058,512.013875337259,1629.74968249009,1698.7416999592228,1698.742038427436\n4rfm,4rfm_940,94.78292928013124,481.5303766720202,1590.7975399270895,1667.0015794713854,1667.002505910801\n4rfm,4rfm_941,110.42787851381621,592.9119644954304,1717.2431101041395,1761.832628773803,1761.8340040366975\n3up2,3up2_100,156.5258976217801,713.4253909428444,1783.0250673718874,1834.185436466341,1834.1886519169823\n3up2,3up2_106,158.82480555801763,797.5472790183329,1875.5017041016188,1932.9072772394547,1932.910126288991\n3up2,3up2_112,19.18775985996814,239.6014062124642,1062.5521632072937,1104.8739633138919,1104.8740814102648\n3up2,3up2_113,36.6631269183073,259.66683810007044,975.9302110172129,1013.3075706869228,1013.3076842979473\n3up2,3up2_156,41.60599015670174,289.09453472555793,1158.4880954639843,1221.3365986413742,1221.3378139244383\n3up2,3up2_160,23.48439594184377,248.3818196226655,1053.076408784111,1087.5823811490402,1087.5825270454993\n3up2,3up2_167,23.463511277834716,236.66663102939708,1066.4487140577733,1119.994381138518,1119.995064482032\n3up2,3up2_168,16.606456704519324,204.94697169260618,948.5828328892102,988.292986011613,988.2934589188758\n3up2,3up2_189,161.65200344928274,763.6723015559521,1859.9301697306726,1905.1774362032163,1905.1791151721898\n3up2,3up2_194,28.480827653036155,195.85138502805665,1015.1495811613034,1065.0931673864163,1065.0932125164072\n3up2,3up2_198,157.7548707143353,796.0077902525538,1867.6566772569565,1917.4774332268732,1917.479965510357\n3up2,3up2_206,80.1844229605301,377.5900173462093,1202.0110388522496,1243.843093371496,1243.8431201438204\n3up2,3up2_220,171.23790408124088,767.6739668898948,1904.8538186023432,1947.5385442578577,1947.5405679160842\n3up2,3up2_231,172.5112419481474,810.9988374543609,1957.9336489285788,2009.1198886795282,2009.1220143786966\n3up2,3up2_238,157.8121020930897,761.9216671208418,1869.9572183139196,1923.548097221575,1923.5500650627669\n3up2,3up2_247,83.31458402851418,400.82717665037717,1282.59833869248,1317.9369398669803,1317.9380078744878\n3up2,3up2_276,156.89428180796486,749.3434224569779,1864.2611448313203,1911.0372939893184,1911.0390660888822\n3up2,3up2_29,178.6652492288728,811.6589401670068,1947.8569287334667,1997.8191687571002,1997.822124302169\n3up2,3up2_291,127.15397645823246,564.7481529359579,1472.524584842396,1517.8492310579584,1517.8508788690701\n3up2,3up2_302,161.06936163382633,751.2467719055369,1848.779917230436,1903.7390877969865,1903.741179096421\n3up2,3up2_310,33.544525200108716,225.94412480751222,1056.8878369013719,1114.2765916012802,1114.2766197960339\n3up2,3up2_334,168.1754111249157,788.9150587549916,1910.4118157212004,1954.2199459525211,1954.222345642597\n3up2,3up2_340,18.80277699699797,219.45944947979723,1034.3939965664435,1085.7067576236063,1085.7098286438236\n3up2,3up2_345,163.57347345525443,774.4678939602748,1895.867093783878,1944.4875095097066,1944.4897748093688\n3up2,3up2_349,36.394051435838776,267.71710760342165,1149.5183925767724,1192.2102109433642,1192.211668817316\n3up2,3up2_358,41.41041422231167,296.0647023119058,1139.9891199774695,1186.3476286806188,1186.350904352136\n3up2,3up2_363,114.72522406086284,571.3166364633989,1506.0853027312025,1556.4460896599164,1556.446392622074\n3up2,3up2_385,32.40849932260998,267.5669882271192,1094.2931787173945,1144.3740289616428,1144.3740409280142\n3up2,3up2_4,172.37424276237266,816.7231908890483,1916.4688347042097,1970.3980093246548,1970.4014007451224\n3up2,3up2_40,177.79864181720347,809.8955345070431,1914.7796535127163,1967.1424877872907,1967.145129459106\n3up2,3up2_400,164.45840817411073,799.1351420454654,1881.6558150793203,1931.3511978419656,1931.35376028726\n3up2,3up2_401,43.547303552407925,289.82911316824476,1074.5394609807306,1126.0880793059932,1126.0881199730052\n3up2,3up2_413,124.58731743697737,595.3763531341352,1523.104528036414,1590.4235263841904,1590.4235572215423\n3up2,3up2_421,113.81191109776664,609.0784932443964,1554.4804822889973,1611.3972815879001,1611.3993626232884\n3up2,3up2_430,19.19049034903341,251.73653079693133,1041.896793051181,1090.2027363892382,1090.2028994750208\n3up2,3up2_434,28.81188762735851,220.43697253576212,842.4133909724968,881.3542427075164,881.3543480276599\n3up2,3up2_435,27.912055026929625,25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640.7793908449778\n4abg,4abg_537,8.022983284755748,79.9582998171123,467.1472483215423,502.9231429485817,502.9233063455669\n4abg,4abg_552,9.527746730937618,109.15710937216217,485.64387090530937,508.4245689647001,508.4247207568776\n4abg,4abg_572,8.097866142949963,86.03182237903235,444.8741767369453,465.5453153809015,465.54559131332957\n4abg,4abg_573,15.382617380829885,136.5521350586907,500.8915235245298,536.3142882312982,536.3144749284941\n4abg,4abg_580,9.835371992286444,105.93534457873587,507.3612798626268,543.311309085437,543.3115952190487\n4abg,4abg_587,62.08434648439688,254.1668885975602,774.5378029209742,797.905777712523,797.9061522206597\n4abg,4abg_593,9.331952207663981,93.00619550874198,469.6655220522985,489.82782855701413,489.8281455824008\n4abg,4abg_597,10.739381255571418,90.93360426930346,441.689112091564,462.7819074006668,462.7821831065193\n4abg,4abg_710,87.8881603597894,377.7913251892327,883.8338359091994,911.8313980048257,911.8316868129417\n4abg,4abg_718,76.49532268284773,368.31689898558176,874.3451296405889,896.0733375180519,896.0735660810655\n4abg,4abg_719,5.2713145216227435,84.97656633513893,424.0007237789983,449.05015415666287,449.05026528232975\n4abg,4abg_741,9.990898401112693,62.384307020084954,339.3355075247437,373.46618798002953,373.46627506414364\n4abg,4abg_750,33.33888563767276,205.29540044390149,679.1298644972188,714.9955463038458,714.99586574387\n4abg,4abg_751,22.56818793533519,155.79374772812227,558.0257664140196,585.046497712404,585.0467111724747\n4abg,4abg_757,20.855672887956555,135.1958150306945,530.2200531677476,560.0566961222024,560.0568290174019\n4abg,4abg_761,21.680335639391938,166.4999015413811,589.2729382686178,620.5038561061939,620.504061562963\n4abg,4abg_769,7.654140266509856,77.35974076416376,422.09236446020884,452.05854025660176,452.05863015653944\n4abg,4abg_770,47.47069275461371,211.16372159236798,665.0648303759579,700.2371748898222,700.2373620427489\n4abg,4abg_778,13.726063156330767,114.41634144108212,503.90782055488353,542.2570511035058,542.2571223678598\n4abg,4abg_780,4.421410912429868,96.73824925318495,477.14516916904046,509.99582987797305,509.99599917486256\n4abg,4abg_781,22.60692500802041,142.78408254698766,577.2408831178933,601.5559944343967,601.5563177319507\n4abg,4abg_782,48.54972390368685,208.27018562112625,665.1820586708928,692.6193439303623,692.619581838592\n4abg,4abg_784,3.036817138085608,66.07276139785412,410.1029841313803,447.568225198426,447.5683883397783\n4abg,4abg_786,4.655156497673426,72.1744355278666,390.39319116615576,414.1314407464734,414.13180145362486\n4abg,4abg_787,6.020579617853602,104.69564207057485,435.9806140398687,462.9818963159249,462.98195825568104\n4abg,4abg_788,15.70491563760988,90.7459543244453,412.24380494189217,432.37248481347797,432.3727420480122\n4abg,4abg_792,1.2139539443720508,58.40328793901994,398.28315777934165,420.10643914380006,420.1065118579809\n4abg,4abg_793,1.9108706315791066,45.55014709148514,375.004570620809,404.2011610652052,404.2013581933557\n4abg,4abg_800,104.77429762555634,428.4833881859605,938.3369926189694,958.451777318072,958.452051447021\n4abg,4abg_808,94.10704668129848,372.65129156466503,845.6525818430055,869.9145773488859,869.9148201372212\n4abg,4abg_814,95.72066823027076,413.485927776528,936.8481956627977,967.41457513411,967.4148695001492\n4abg,4abg_824,100.6172726599926,426.7225118527681,972.584944359678,996.2860236690483,996.2863282886061\n4abg,4abg_826,75.7945429168107,342.33592308024896,831.8768249358611,859.5626002104169,859.5629963535827\n4abg,4abg_835,101.0979583162687,409.0240992150335,938.2080994576204,963.8637343002877,963.8640220351076\n4abg,4abg_839,73.30252035677758,349.670710220018,897.694866294275,931.8811373836768,931.8814044895164\n4abg,4abg_840,51.48140384349095,302.9106933088613,762.4244937037241,791.479168852359,791.4795887731113\n4abg,4abg_845,68.46462914962738,367.72099762181915,895.0958601323069,920.5587240909708,920.5589789114458\n4abg,4abg_848,61.89996300997116,293.07918643263883,776.3489949523033,808.2212071740605,808.2215698277262\n4abg,4abg_857,36.393060170303286,177.4572721413593,569.4532594903999,611.6864443968574,611.6865859336136\n4abg,4abg_860,27.36890383040032,161.86705934757677,556.8043334783931,582.1072313995605,582.1073642264828\n4abg,4abg_864,5.360236462010495,61.113054948496,358.7015154018775,376.1562486512103,376.15633349936945\n4abg,4abg_865,21.013629700698477,168.31094435876292,612.1221314430112,636.0588383232218,636.0591529490456\n4abg,4abg_875,9.428832755917043,127.04057133480393,554.8729738459347,580.8587193876757,580.8590925090045\n4abg,4abg_885,0.6524368415480805,33.48217069559548,254.64046459329953,272.3671147321538,272.3671720636705\n4abg,4abg_888,0.5097834782169387,55.5432158306242,325.3904206450956,342.3994951762071,342.3995687192021\n4abg,4abg_955,50.2477307814758,204.98649493510752,606.4908300323693,636.5506883856758,636.5508286328499\n4abg,4abg_956,57.444887906055676,303.73483156132346,771.8931010237661,808.1689252377874,808.16925033699\n4abg,4abg_973,51.99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231.1092639714717,670.8441997969175,688.1704803013408,688.1782844171081\n4ddh,4ddh_13,38.956053817624664,216.49930351570927,675.8965148374408,696.8091069758165,696.8148013063222\n4ddh,4ddh_130,25.91885447222572,190.26342398740738,689.5146246411227,728.0226487406039,728.029898916448\n4ddh,4ddh_181,4.972716816504395,101.59207896978634,578.2854545701044,625.1193448665072,625.1217863027592\n4ddh,4ddh_27,20.125609340494147,170.11515101903095,649.3289356743601,674.7797043508206,674.7892123650959\n4ddh,4ddh_270,31.10311767044044,179.41618702211593,585.9779917995141,611.3020112560162,611.3074351627827\n4ddh,4ddh_294,38.083470841573025,208.71256767640534,619.693049257009,637.5923324779664,637.5979633940102\n4ddh,4ddh_296,32.96417414650366,184.5841833395945,627.3842898271184,655.1726682680637,655.1796665825991\n4ddh,4ddh_343,5.910526192554307,100.03489004523593,596.2708391275048,637.7837429662316,637.7861586225292\n4ddh,4ddh_349,5.25817719179471,86.81883996685472,593.1321819375866,638.0664919119332,638.0688267208183\n4ddh,4ddh_401,16.9231496639593,196.5814948837255,608.1636403250212,627.7956901027029,627.7994708611526\n4ddh,4ddh_416,34.82480292515398,203.7609333526256,654.8385720109766,672.8064170385951,672.8131320451489\n4ddh,4ddh_421,3.288790800280274,107.3695615606574,622.3656251132586,656.7667162552077,656.7685310541572\n4ddh,4ddh_422,17.48281498110041,173.5598076846115,693.988324573418,720.4122189475288,720.417056916903\n4ddh,4ddh_427,26.75458155251188,236.60968680149267,745.7022354839844,773.7369136124829,773.7444549876242\n4ddh,4ddh_432,32.336964093520315,226.67491685917489,678.0884148587195,690.5558406573973,690.5624991825304\n4ddh,4ddh_439,13.896956531660106,184.6275574723295,671.2746306906993,702.5671518702275,702.5736268971169\n4ddh,4ddh_448,9.543831630947922,133.46203040878382,654.5751634550168,686.7374216897807,686.7429445051949\n4ddh,4ddh_455,8.97411427844558,144.791136989866,668.1571450142195,698.1535875164601,698.1568174436242\n4ddh,4ddh_459,11.996968839241928,167.35993128175213,671.2840876994156,694.1410241542412,694.1503089803242\n4ddh,4ddh_462,11.152708973996885,154.28646292264818,754.9591922806189,800.2624788666908,800.2642696883788\n4ddh,4ddh_465,26.666109600116016,206.764180767521,676.2695479087358,697.4757863132651,697.4819188567487\n4ddh,4ddh_466,18.429567698755225,191.81960866338508,693.0285592911398,721.4993229466079,721.507514691535\n4ddh,4ddh_471,7.710738717090065,143.36968623268785,673.2676615378908,727.8192192236226,727.8216971384782\n4ddh,4ddh_489,20.79927389632572,167.00836018897223,542.2002586533365,556.9800901081243,556.9837659065873\n4ddh,4ddh_490,29.307201738059657,201.03242972055622,735.1539706748945,756.7389070851157,756.7471737457091\n4ddh,4ddh_500,21.681204874023493,184.21492923318044,651.8975720012353,672.9140797215844,672.9195918316967\n4ddh,4ddh_507,15.670014308047639,184.5406295968328,677.839311159183,700.7867883115382,700.7927701093079\n4ddh,4ddh_514,36.071312208269795,220.91326686679787,637.8697436605631,661.9998094704198,662.0068539133613\n4ddh,4ddh_519,38.27468256625688,234.05938684048417,664.8233549618723,682.1788631491219,682.187534527367\n4ddh,4ddh_530,24.39463689309499,197.87710585987264,628.080480283236,651.7004179110894,651.7054447590986\n4ddh,4ddh_542,21.350049512777314,203.03393474802738,631.4528216310707,657.5029816153522,657.5091174771561\n4ddh,4ddh_543,34.580449892476196,210.69695286720525,582.6734284282996,602.9798490763377,602.9860473517142\n4ddh,4ddh_545,16.92168354877464,175.25219967560588,706.4064820730948,743.243400945165,743.2519227684927\n4ddh,4ddh_547,13.108686265934793,163.58972572239796,682.6441761567611,727.558959270199,727.5619334153567\n4ddh,4ddh_548,20.119401354147474,194.28331602039722,676.041770763093,707.5080742694084,707.5160195908969\n4ddh,4ddh_555,9.612992476166033,152.40839087136442,713.823832947798,750.8650465523722,750.8674892050909\n4ddh,4ddh_559,18.1700525232081,183.3764235897223,709.807270724308,744.2826925148597,744.289742346222\n4ddh,4ddh_564,13.165359204527702,157.70846925489158,695.2819900139702,731.7680719474486,731.7715614437326\n4ddh,4ddh_574,17.270207346289112,203.40603509201398,705.8716519163988,735.7734953991531,735.7803634854193\n4ddh,4ddh_589,22.0884831290492,215.48058383625474,675.7501797496169,690.7269889842961,690.7321884317355\n4ddh,4ddh_591,5.383862476966259,118.24852054727906,640.4824539713372,687.2422682423004,687.2431662073966\n4ddh,4ddh_592,5.798561041370563,128.5977987411172,642.8388160354372,673.0565030961437,673.0580271347278\n4ddh,4ddh_593,5.297406004678207,115.46741549607299,626.3471799813212,666.3104927919926,666.3131019971804\n4ddh,4ddh_620,12.195842439926754,170.0409016403277,721.6571203240422,759.0012512938922,759.0080184889557\n4ddh,4ddh_632,3.0579594326178734,87.56143518403033,577.2732343988371,625.7405928313842,625.7415060438788\n4ddh,4ddh_641,22.401798753959344,190.98190321002147,739.3370757173961,768.6864618796235,768.6948216447573\n4ddh,4ddh_649,8.130827573789189,109.85409760186637,686.8281674737138,735.4735152148208,735.475616945471\n4ddh,4ddh_651,20.362557720280623,176.1791651058255,633.3798786973647,654.298755885075,654.3064135582232\n4ddh,4ddh_659,4.382304770287728,79.89951555200462,608.2820170929298,646.2193150082052,646.2214199423438\n4ddh,4ddh_671,9.918080374146559,134.19314873096218,681.6435406475958,715.2448176732739,715.2480343868485\n4ddh,4ddh_684,4.271161471583879,94.4274681181276,658.2088186837342,697.914664050912,697.9163929833018\n4ddh,4ddh_688,32.82894426511447,198.8337704885531,565.6244746757224,580.7387080268047,580.7451850310983\n4ddh,4ddh_734,42.87743996545929,227.59379267547496,673.1555348587348,687.1226676717056,687.1325574045658\n4ddh,4ddh_754,11.66612092078523,127.35058141894469,715.8794613463176,748.1308736586955,748.1327208254489\n4ddh,4ddh_762,5.616513119344911,99.81658743090657,650.3903064369072,693.799480700425,693.8027332732743\n4ddh,4ddh_763,5.177347367105947,98.7812140699502,652.8401951705602,700.4336338331422,700.4368874605797\n4ddh,4ddh_764,5.460867575860989,100.60254729655897,653.3726087791894,698.0434164380858,698.046696314345\n4ddh,4ddh_770,3.9592810725649548,118.31314294314753,621.6584981894949,668.5490706194815,668.5503821300961\n4ddh,4ddh_771,18.810946280740904,144.77988731990143,579.021822605207,603.9527260526273,603.9574018402095\n4ddh,4ddh_773,2.275055457269988,91.32310074525564,551.7044507943374,566.2329931623442,566.2369958230743\n4ddh,4ddh_774,4.399754776203769,90.76855801923912,637.0163165046426,668.6558946972877,668.6568341042262\n4ddh,4ddh_781,0.2765136658566352,61.32885405714781,550.2823660749954,586.509809245573,586.5103846951439\n4ddh,4ddh_782,35.467197215660875,202.02686025362652,565.7955625180117,575.1310751100402,575.1350751839487\n4ddh,4ddh_783,1.621564313606034,79.60017360779209,634.4740910760589,662.1245840909719,662.1266017026421\n4ddh,4ddh_784,19.876552965690557,153.59876635103413,601.733660603627,635.2078162001675,635.2167967388626\n4ddh,4ddh_79,38.39273408534007,223.31837116011965,669.171619169694,701.2524164217169,701.2613635573537\n4ddh,4ddh_794,1.6603686644431264,68.37930001569364,619.9172430442732,653.7523674453469,653.7534786113418\n4ddh,4ddh_795,1.0740504294768904,66.84411575204805,601.4459932447413,634.9203129721344,634.9213083645363\n4ddh,4ddh_796,0.842990373692068,71.55754599896656,620.1963321776785,660.0106872410335,660.0117822993128\n4ddh,4ddh_80,18.597501910983638,142.4618255847958,583.1384372236406,611.743964827085,611.7503458928168\n4ddh,4ddh_843,30.797380988267864,198.72679093066907,593.3843632801184,608.2644997427478,608.2707417555305\n4ddh,4ddh_868,7.741022003176427,110.24871779778445,696.1667272744688,751.9939017449877,751.9950980596079\n4ddh,4ddh_882,14.64801116736306,139.90720486792446,744.6487183500441,783.2619664153555,783.2640544836426\n4ddh,4ddh_885,3.800679567360881,96.19214430347867,622.7002388374353,666.4076951956101,666.4101489354664\n4ddh,4ddh_911,41.60125764538208,235.49644310665437,695.6139499495846,708.6301594725331,708.6386015865577\n4ddh,4ddh_971,19.223221427267493,146.36629343697584,560.0062504521721,581.8449577350987,581.8508440545963\n3g2z,3g2z_1001,34.84085055927082,198.93732349200596,541.2904358862504,553.2182717180592,553.2183496355332\n3g2z,3g2z_1002,34.61154318478509,191.77462263978512,517.245614639853,535.1338052014959,535.1338761764008\n3g2z,3g2z_1003,32.36205762129466,184.83198360092666,524.4447179971456,545.4796692770134,545.47972901967\n3g2z,3g2z_1004,36.29356597655776,207.1338523031612,577.7243701033092,596.4907808235499,596.4908510851649\n3g2z,3g2z_1005,39.71295836942568,215.54538464854792,601.0328361526302,614.9337938248821,614.9338445692645\n3g2z,3g2z_1006,33.57509305060919,198.4943103104034,559.6829287597446,581.3584562027968,581.3585186622017\n3g2z,3g2z_1007,33.4723260264268,197.62017240538583,543.8610877906866,557.9576753945958,557.9577532671177\n3g2z,3g2z_1008,40.703556171492124,208.4919954336248,601.4447186259991,622.2953645116263,622.2954400980879\n3g2z,3g2z_1009,34.1309093793054,188.8531363432231,531.7286188851201,547.0866193315388,547.0866906609626\n3g2z,3g2z_1010,30.340015182418135,176.06137600485323,488.5439118295864,512.1961287445916,512.1961885517433\n3g2z,3g2z_1011,37.68080531974027,214.8152891008639,600.7472324408336,621.5850798157338,621.5851358944427\n3g2z,3g2z_1012,40.19339433715842,215.03999352570054,588.2894197664116,606.0600835607343,606.0601357920846\n3g2z,3g2z_132,38.66430512656481,223.5481258453113,609.6454501983102,627.3779721896534,627.3780370261029\n3g2z,3g2z_152,30.325813281443327,180.68131054810118,549.8206155547614,574.8978956311132,574.8979102842362\n3g2z,3g2z_166,39.60399523477472,221.06565704215234,578.5333732964167,596.0781192825957,596.0781992142396\n3g2z,3g2z_189,22.661336491308376,159.3961397867949,487.26209984776614,508.3222259892773,508.3222781233272\n3g2z,3g2z_194,19.84599486327593,158.0516958721012,500.42426383352574,524.9005301391674,524.9005840590065\n3g2z,3g2z_332,23.176013610261876,133.78464583399986,465.305744726329,506.39238033573736,506.39243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43,239.46354959800638,239.46460367844472\n3gr2,3gr2_786,1.3259191153643253,49.736720015245865,387.694488066613,418.5232302977599,418.5242565950814\n3gr2,3gr2_820,16.14889888175138,144.01558071920024,644.6759468624009,671.361318259531,671.3619226009886\n3gr2,3gr2_835,25.566848748583833,200.73655350497773,743.8532527677642,768.7464050279115,768.7479849341697\n3gr2,3gr2_841,0.3293856043080163,30.17272483656395,351.8800399062185,376.509358914435,376.5095794726419\n3gr2,3gr2_853,4.297128042844556,98.09167190987996,509.9898705739334,539.3605060401868,539.3616661970492\n3gr2,3gr2_858,2.4756247572219494,86.9852409715264,492.6403069732991,515.656515889994,515.6597587939526\n3gr2,3gr2_867,6.149322283328916,111.2325829395121,596.4855520513701,635.848103900873,635.849258767661\n3gr2,3gr2_872,18.53065577486731,165.44564914228968,755.9774453427322,783.1222175971303,783.1224622195388\n3gr2,3gr2_879,4.213974073488568,75.797344229195,450.5796150689948,484.2832442243869,484.2848712357834\n3gr2,3gr2_973,20.052725907862534,179.2808495351539,762.1907693672237,791.5667701685862,791.5681654152082\n3gr2,3gr2_978,0.8733672800385519,49.806502363571525,441.353829658421,471.9419055057499,471.94203547946796\n3g31,3g31_107,20.52629718201596,157.01566922123428,580.7365849986617,593.3343685429261,593.3461972409524\n3g31,3g31_109,22.76783493626362,172.7235496039951,624.368516843353,642.6901529065666,642.6974258090954\n3g31,3g31_136,10.718391387187685,106.16740403410515,511.0979854871445,528.3004135721143,528.3049232978988\n3g31,3g31_210,16.54691203993166,135.22950487109392,506.26000883781666,531.4922175628726,531.4970782041861\n3g31,3g31_218,8.706291812184492,123.59452255595457,512.0105414136749,537.210720014004,537.2149311928457\n3g31,3g31_246,13.126221006176014,111.72535058448831,504.72602469104646,536.2746003131209,536.2786901741902\n3g31,3g31_288,9.6341757189224,125.79675953811721,485.7791291318709,507.560192467734,507.56500535566363\n3g31,3g31_339,17.519399404939417,137.20496380362562,533.857753183453,555.6959477830392,555.7114998678688\n3g31,3g31_36,11.904710211445682,145.15358463156824,579.3959224673566,612.4406941905111,612.4488592937481\n3g31,3g31_362,25.543943367092037,167.30577624754068,603.4918696630834,632.1905515330284,632.2017438272384\n3g31,3g31_392,20.82710164422168,149.59006183274496,571.9169035088687,591.9142526916678,591.9270449337782\n3g31,3g31_402,15.224291057102436,139.90188482497268,599.4462605128219,619.6126239051417,619.6220368552488\n3g31,3g31_405,20.24192822288997,151.19888005077792,609.796819487667,626.66052574596,626.6670792094372\n3g31,3g31_413,11.239001898121943,115.84518078988805,472.208737648356,501.9152959463114,501.9214281389007\n3g31,3g31_416,7.076956337482489,106.0803796873912,436.955940171674,467.2405898422888,467.2461971521175\n3g31,3g31_437,17.724014093113645,103.04305595095711,415.4044350250509,436.9088598856442,436.9133360845853\n3g31,3g31_442,21.260894506832752,135.68290893745515,570.1564483758417,602.7839674398119,602.7911720163379\n3g31,3g31_447,12.733860775524832,122.16670024165815,540.6368034431343,576.2587849380066,576.2660960124617\n3g31,3g31_448,16.837619342044402,151.33941823806876,591.4275310925931,618.2709327840842,618.2809339648322\n3g31,3g31_457,9.198007881013796,100.44361509628256,452.7905366188912,480.56755513586455,480.57974871735394\n3g31,3g31_461,12.18551530273092,96.6621555168388,412.4231828919875,433.54833968445064,433.5524695943407\n3g31,3g31_469,13.591934743963746,95.83252345002033,419.0189554388618,449.05657091378527,449.0667498655514\n3g31,3g31_472,8.881974303578955,102.08664137219796,502.205208720641,522.6665543885731,522.6762056538172\n3g31,3g31_473,13.919255774349875,95.59253338048107,405.491740968896,423.3561358781387,423.36186327519687\n3g31,3g31_474,10.358719973014063,104.34265774783663,501.5554843223286,534.3076784368541,534.3145500961\n3g31,3g31_475,16.77450499999845,121.47891172306545,486.0515637498687,516.5805691802963,516.5843541006187\n3g31,3g31_478,11.106349277038142,120.11522680787753,483.1236111494878,519.6928720259674,519.698131345403\n3g31,3g31_488,7.51913251103241,108.85908148756114,456.7493617407382,493.33818351503123,493.34424150853715\n3g31,3g31_496,7.990302073635195,108.38480872318934,463.0157167725601,487.1680642220223,487.1805960742753\n3g31,3g31_498,7.071861703270242,58.84067825821239,383.80490950000103,409.60030705720743,409.6066279232529\n3g31,3g31_499,16.25077893338724,146.1457457640255,578.8090997598702,610.4273141926191,610.4376832043204\n3g31,3g31_512,18.778778440391147,156.39403727192504,586.6048655787974,609.7292997431582,609.7359695557234\n3g31,3g31_526,2.3962309405213076,62.63881456497795,342.17324296934845,362.28785025093197,362.2899594355698\n3g31,3g31_531,15.533550903079842,164.45463949234923,576.1090744609521,604.0416350696579,604.0473556892622\n3g31,3g31_532,0.8759495246683305,33.00727167829467,301.47172627479154,322.2983564395191,322.29926126355963\n3g31,3g31_534,15.380940936772316,170.22226447749887,625.3554873250829,636.9801917433463,636.9891799482458\n3g31,3g31_535,6.295447338810492,93.60760088243651,392.76293417070514,418.58077123076464,418.584372623276\n3g31,3g31_537,6.765579928456616,95.57118612896588,460.2615684620284,483.21815228232657,483.23115299445664\n3g31,3g31_556,18.624844509267728,154.80286038280678,585.3542789905547,606.510350217902,606.5173687959523\n3g31,3g31_571,6.080846965406105,74.57087985020927,363.99701963535864,400.5520870040838,400.55606346267905\n3g31,3g31_580,1.5586436822102063,52.768470221829276,319.67898495800574,342.82424106785163,342.82661946191587\n3g31,3g31_581,7.007792203250262,87.98592884478497,455.5061704801995,481.08818778277174,481.09428364221645\n3g31,3g31_582,6.383481462310937,88.5534113024179,424.8086961197936,454.6440473763365,454.6469140656222\n3g31,3g31_584,2.1738978347723816,68.10498137786391,364.0613659773327,389.0045451896689,389.0071271500408\n3g31,3g31_585,3.6787880117974256,48.6120455192592,331.5076394600322,361.55169816950297,361.5540265299814\n3g31,3g31_588,0.08469471022082399,35.35694545441134,289.8089460639479,304.8432966476796,304.84555775398263\n3g31,3g31_596,17.69077151859906,174.66066382534152,653.5533841106912,676.8014846474389,676.8151892620148\n3g31,3g31_644,8.108080746960905,78.4097629763711,384.96931634333555,419.4919104102446,419.4956887663373\n3g31,3g31_648,11.365086137575974,111.06996726726537,542.7801821237566,571.2793799580834,571.2912652729449\n3g31,3g31_652,1.6756988951148537,73.79857376288766,354.57279514707506,372.60767365763564,372.6130969015368\n3g31,3g31_653,8.954281817158593,110.44112408937202,523.3082006435704,553.6588540668868,553.6707761801109\n3g31,3g31_659,3.067502949700651,88.64402098292707,449.4723973547842,481.8233401527509,481.83388485994595\n3g31,3g31_663,9.770186827359916,87.12200020183582,475.5146648503559,507.4620779562096,507.4698349749227\n3g31,3g31_670,6.530412414083803,103.29220600751276,427.02975269125864,439.6117762086468,439.61857836325976\n3g31,3g31_673,8.050236836324965,118.16282998819655,462.5655674912113,482.52115589313274,482.5272938789774\n3g31,3g31_687,5.883440702338977,57.258104492380056,360.16901410463277,387.98668005935457,387.9884072070046\n3g31,3g31_692,16.58583049547893,152.82732185053985,589.4549723252433,614.4579210247957,614.4670541517345\n3g31,3g31_693,6.714972923054471,84.04864911883868,481.12024001965835,501.4210244928691,501.4297446548711\n3g31,3g31_697,2.719997605831035,68.78336678222973,425.10613583238916,456.10614085619875,456.12395451822715\n3g31,3g31_699,11.124699203003646,83.15401788671338,443.2474999827385,472.08992914663924,472.0924269820175\n3g31,3g31_700,5.352416687969885,66.3271677992138,377.8834368685962,406.28185628804755,406.2834282286924\n3g31,3g31_740,4.656460403035255,99.40795990279723,488.1074097069693,519.381407690509,519.3921111374783\n3g31,3g31_781,14.04534359024873,141.80857989932738,619.4328561827997,649.2018847853943,649.2130204499689\n3g31,3g31_785,2.6020299219283234,62.47737019256659,314.83423443389717,333.75494513904545,333.75797965774075\n3g31,3g31_786,16.798004774321587,144.8734125745541,617.823839258018,648.1410526042462,648.1518792945109\n3g31,3g31_791,15.569188922552055,160.13504524240244,570.0986019333805,592.1810213806359,592.1905289713508\n3g31,3g31_802,4.188539704419568,74.440132161603,390.72382492621136,429.02349395400796,429.02572127076564\n3tsk,3tsk_134,88.71150797934904,514.3006878876721,1552.1125950117464,1592.9346876992101,1592.9429978818328\n3tsk,3tsk_176,97.37119764476442,560.1566240570166,1645.0579146842376,1680.3305681807426,1680.3461208681947\n3tsk,3tsk_259,60.88006226365071,466.0723470067449,1630.6252307253967,1690.234788668573,1690.243954102773\n3tsk,3tsk_263,89.6160288201434,532.2128080361952,1706.0444930446617,1743.9283933067627,1743.944152830498\n3tsk,3tsk_273,59.9462988756913,454.2091124524707,1609.4454335593398,1659.5485556806857,1659.557932043784\n3tsk,3tsk_285,23.719194586018354,318.62253385326,1393.8057227263496,1429.9701333352357,1429.9806321637923\n3tsk,3tsk_29,16.03385375585679,242.46974243123225,1147.2845648539123,1174.9517572717618,1174.960521198628\n3tsk,3tsk_294,43.72649644457736,407.4975843204845,1489.4469379482312,1536.3474356570478,1536.363141991782\n3tsk,3tsk_31,79.2301511848826,462.2751026462814,1378.7733654820463,1418.3629060602311,1418.3662427253548\n3tsk,3tsk_337,106.53113502104743,566.6281938993517,1628.9987278156948,1658.090284235696,1658.0942902300712\n3tsk,3tsk_344,102.98924471739895,575.1543035107211,1647.640928861668,1674.7638567671092,1674.7705103035612\n3tsk,3tsk_358,103.11001684411482,590.3418118633542,1635.9329559765795,1667.6007282281403,1667.6129176505788\n3tsk,3tsk_380,89.57503811917027,489.40613466220054,1479.4228176684844,1514.6128959891362,1514.6221972119504\n3tsk,3tsk_381,100.02352255703308,560.061279100989,1601.7051308271004,1634.9841749780173,1634.9911136333142\n3tsk,3tsk_382,93.82551652169859,539.6154100072913,1664.174147760829,1705.0946607095784,1705.0984348796776\n3tsk,3tsk_40,23.720984295322026,246.35076114380595,961.951621550855,1005.0352417135535,1005.0365479422777\n3tsk,3tsk_400,92.03989212546976,516.9166965416656,1597.328852102423,1650.4178175084232,1650.42472881866\n3tsk,3tsk_402,29.846404765452668,327.23589865122676,1357.105948774417,1416.6498055239915,1416.6573433410322\n3tsk,3tsk_405,90.06645511532683,532.0594883404789,1574.8884833586733,1607.4229186327984,1607.4327172926567\n3tsk,3tsk_422,85.689163196864,539.7608684277972,1566.4078450154404,1600.6188652267233,1600.627174001602\n3tsk,3tsk_423,57.58234812813595,473.75232989230983,1696.2797411761774,1746.4810145377169,1746.4900267839118\n3tsk,3tsk_426,79.50112335517916,505.549234326527,1416.9729516721009,1443.4196933249812,1443.4380029037236\n3tsk,3tsk_430,63.20795643052273,406.0312024366371,1292.373805825394,1332.3114432079444,1332.3413649604965\n3tsk,3tsk_433,90.65169868424576,545.2255290188929,1567.1932252596762,1597.2578265496923,1597.2794423395947\n3tsk,3tsk_441,76.68961372573214,511.8401056269625,1666.2698062439995,1708.1801520028755,1708.1903717481894\n3tsk,3tsk_443,73.19276335088415,485.9309364585551,1623.7879241762125,1665.7384608628226,1665.7470470116689\n3tsk,3tsk_444,80.44973722532548,532.191502643281,1649.6444397513042,1692.5276183946212,1692.538037275153\n3tsk,3tsk_455,76.66062018892698,530.0678927310677,1642.9931741565358,1673.8971650637782,1673.9008025578423\n3tsk,3tsk_456,25.617089012025506,325.4672425362708,1484.1854567551693,1530.488013837207,1530.4889378355092\n3tsk,3tsk_458,78.36083180119246,558.0304107998704,1695.2664667146507,1737.876666152838,1737.8842147629593\n3tsk,3tsk_460,52.97713522301905,412.7197050260318,1524.1530873800657,1565.1577624102724,1565.1850986300203\n3tsk,3tsk_461,24.710857312175893,289.48078683794296,1301.3488393835082,1332.1226955963173,1332.1245038973614\n3tsk,3tsk_464,63.39933682430912,473.28744166329005,1564.7286867622256,1600.4871947125393,1600.4933460339305\n3tsk,3tsk_465,9.883522894479034,262.06730733247133,1464.2595734548547,1519.7782389204858,1519.790914062979\n3tsk,3tsk_468,78.88867582591287,510.0966832487448,1665.8301086121826,1718.4889773288521,1718.4964682627851\n3tsk,3tsk_475,7.906280133549246,213.10625395971564,1334.2208721816385,1406.0063063932243,1406.020602254878\n3tsk,3tsk_479,73.29179304354939,487.16575659151005,1571.6474083815083,1611.8830359422395,1611.908471520924\n3tsk,3tsk_487,51.88695298858997,403.7720315407879,1476.4911669958,1514.1658858014298,1514.1693019017853\n3tsk,3tsk_491,49.82071811515863,364.9367832160533,1169.8551746792318,1213.288327630488,1213.2988270354185\n3tsk,3tsk_495,36.27922405246118,369.07475120678026,1422.2194173199478,1456.7515298845146,1456.7545446786482\n3tsk,3tsk_499,11.302892466070203,250.96397383275408,1317.7256719924817,1375.1956696703242,1375.2020726437538\n3tsk,3tsk_500,71.91271202018487,473.2487163915441,1596.9640384168154,1638.7378541020746,1638.7524382905556\n3tsk,3tsk_509,24.381060725925582,310.3242950121444,1203.0575495826738,1245.9732860912318,1245.976996893577\n3tsk,3tsk_512,13.060358501926146,246.72425023183544,1007.7208904348086,1032.358737263561,1032.3636054630742\n3tsk,3tsk_522,10.704471230168606,205.37321694641318,1095.277942745202,1145.341821474556,1145.3630906364256\n3tsk,3tsk_527,15.200493645601588,272.8669015054994,1363.183736438125,1417.3823346860795,1417.3986234663294\n3tsk,3tsk_532,52.34116758729909,396.781332220895,1357.5748707719063,1391.0671019304984,1391.072461129112\n3tsk,3tsk_541,49.197310790082625,370.95685885543935,1229.1062101369666,1257.5446060614495,1257.549874789705\n3tsk,3tsk_547,10.108448944062872,218.59414103245038,1111.988797799516,1152.2659539083872,1152.2663992655007\n3tsk,3tsk_552,17.365152515622572,259.34341647048575,1359.6638147812598,1404.033745772431,1404.0494197931291\n3tsk,3tsk_557,11.134679748768864,181.46675109328373,1027.076774969873,1070.7940196145519,1070.8071696708314\n3tsk,3tsk_561,24.202766588500488,291.49824484532064,1137.1838627750274,1181.1193105570908,1181.1357041948152\n3tsk,3tsk_576,64.57256800504955,421.9942112632108,1409.1635721268667,1455.7409023378857,1455.7479070171862\n3tsk,3tsk_580,18.630465657535353,263.1978514492563,1227.6226445597122,1256.2767698596647,1256.2836015947016\n3tsk,3tsk_589,4.403138310027338,150.9374325865906,792.2559637187346,822.7553636212117,822.7758748704658\n3tsk,3tsk_594,26.642003712025968,329.55929074608304,1140.0836435942851,1171.6003988114055,1171.6053886262205\n3tsk,3tsk_596,10.271758875475468,229.8282511679025,1155.4385708219609,1203.2435708628482,1203.2479652865375\n3tsk,3tsk_598,58.84941236656946,417.0585331574583,1496.3091246842826,1537.2244541235395,1537.2325667880775\n3tsk,3tsk_646,9.629401103722074,220.7496441869441,1206.0437346900937,1239.6456857948137,1239.6512858370395\n3tsk,3tsk_655,9.344918716080375,180.2623575856266,1110.5263494155142,1182.6954485816918,1182.6987013624882\n3tsk,3tsk_656,12.30260224279087,206.97013189970517,1020.0550815834816,1067.0679988191266,1067.0693202953596\n3tsk,3tsk_668,8.478670682706964,192.66799631873246,1117.5862454997334,1158.2950593975652,1158.2992191987983\n3tsk,3tsk_669,5.980703018613895,169.87247820175807,1088.7394635965209,1143.3013505239899,1143.3159686641127\n3tsk,3tsk_674,9.993565568887568,163.66285766988005,1013.0722205433237,1043.1076538661791,1043.116965098886\n3tsk,3tsk_679,56.174546716813715,472.2584320843756,1574.1787036591766,1627.808412773099,1627.8129869873576\n3tsk,3tsk_696,11.84714022397808,227.5358289448909,1163.664082352428,1204.3467914519829,1204.3536766288069\n3tsk,3tsk_700,11.666374711080223,202.5962396699273,1039.6674884712381,1076.5790093024505,1076.598753891827\n3tsk,3tsk_702,24.797902726431754,285.6238785833328,1351.5312525776797,1390.063815374822,1390.0735338036943\n3tsk,3tsk_713,103.79224035849282,596.6154573411134,1756.6200385871819,1799.0632107024544,1799.0685865010282\n3tsk,3tsk_721,21.68169955531854,244.3728078786419,1163.8073858925259,1208.1610593304647,1208.1688176751131\n3tsk,3tsk_733,10.251127942828942,165.15589829724627,986.0215484303487,1032.0191749902535,1032.0276266080307\n3tsk,3tsk_767,82.75690114836563,500.68776973581436,1586.6702374474683,1626.009838111885,1626.0219182974483\n3tsk,3tsk_78,50.67804211424731,358.2854362461968,1158.8881317861265,1194.5336842564375,1194.5398649989982\n3tsk,3tsk_784,5.812558024284529,185.54203809805986,1022.3495086897261,1056.1051362965525,1056.1095960218242\n3tsk,3tsk_803,16.225996050695663,233.25405703880256,1190.6218620138532,1233.4082445517838,1233.419066109228\n3tsk,3tsk_847,16.207239853307748,225.44191122882768,1179.5942832273436,1217.8877415426803,1217.8992120780938\n3tsk,3tsk_870,80.11161827447619,501.3333797119152,1621.0972854983713,1680.661821580727,1680.6722986141688\n3tsk,3tsk_93,93.62265706219918,503.97410223581426,1524.0395088207463,1576.0034698064426,1576.0065313835087\n3tsk,3tsk_979,23.4580577114342,251.413084565156,1289.2365334706742,1329.2461294945524,1329.2542203023377\n3tsk,3tsk_980,53.71364781361759,438.5060868658429,1428.0703304515735,1470.360803005337,1470.3796352744905\n3dx2,3dx2_14,80.9933054793926,314.0136401802879,708.6878733988401,728.5722806410772,728.5730697439634\n3dx2,3dx2_225,79.31752891139038,310.4323481479368,690.7132613571185,711.4081873320907,711.4090242910402\n3dx2,3dx2_253,76.34234402767873,291.5174079646774,664.1941967970513,683.7431050427879,683.7439212577107\n3dx2,3dx2_293,78.57926722844317,287.977015903936,657.9141464428174,666.4330067356984,666.4338552950562\n3dx2,3dx2_380,82.00243852084036,318.9737261984899,731.8483101179428,749.8302681249045,749.8312433322814\n3dx2,3dx2_39,74.67475861084681,307.68398661115816,716.2476685420429,735.7397564028652,735.7405176823896\n3dx2,3dx2_402,84.55683063538497,314.346518652232,687.3081486194194,703.2701838781322,703.2709886654703\n3dx2,3dx2_426,26.11818354193981,179.85288226015942,447.4758928767971,461.6729717865579,461.67414648531064\n3dx2,3dx2_443,43.67543465087269,170.73403979018377,432.58759702655607,442.7812754031868,442.78229788520775\n3dx2,3dx2_472,8.80692835117294,130.53231605521916,338.8036607848028,356.10648950352896,356.1073156685479\n3dx2,3dx2_479,44.87319381520349,186.88707485475354,434.0045085968054,442.5959565395524,442.5967040176903\n3dx2,3dx2_482,27.568058988899992,159.4634708408078,411.2451796205953,421.6625621544378,421.66322608212\n3dx2,3dx2_503,73.60209115336076,282.9112553195986,634.794613623908,647.4757284951579,647.4765179552504\n3dx2,3dx2_508,16.19502233468837,138.20815685331905,483.40318046648014,506.713205853846,506.71455534251515\n3dx2,3dx2_514,9.43501513036406,99.80686156977913,454.42037845988716,479.9861368577815,479.98693267671456\n3dx2,3dx2_534,18.43945653532785,131.08384906079,481.6028461103481,505.2848082646624,505.2855128238904\n3dx2,3dx2_535,50.64094660645288,217.49104418517254,523.025057548826,535.8589754940216,535.8597345871501\n3dx2,3dx2_549,21.89819040150635,141.29838742706085,431.1634078355625,449.91240477847776,449.91348534642236\n3dx2,3dx2_555,26.01147237693976,154.1320522821813,391.8975596041343,403.1419650082526,403.14276869555715\n3dx2,3dx2_570,1.8602919082903713,42.489777982941625,284.64859169412983,294.1106567550047,294.11085900756353\n3dx2,3dx2_573,1.9888301307505911,41.87290705319528,353.52940551586005,369.16200254240704,369.16231652459265\n3dx2,3dx2_576,14.324548891830146,127.63388253437147,484.16348772622035,515.0104137648551,515.0117988061718\n3dx2,3dx2_582,23.74671504489416,145.98099415785046,455.5883990580826,478.68227338803,478.68311335638884\n3dx2,3dx2_583,10.571783963395207,108.55172905420827,466.242690052295,483.6896448504531,483.69035521312793\n3dx2,3dx2_589,5.759624709722008,88.60250885783404,441.19490796018863,474.672841429107,474.67344080813007\n3dx2,3dx2_591,1.2015930656773377,37.690261390424865,288.955267157838,301.2839879667127,301.2843808152006\n3dx2,3dx2_599,4.500331811363236,65.47459382090932,340.9798168437625,365.859394824983,365.85971371757944\n3dx2,3dx2_602,39.17548746106277,177.03198391526428,485.27765419833634,500.6816547092819,500.6825484118557\n3dx2,3dx2_610,27.30704706658571,163.24957903847326,544.4983257255291,581.1883218292367,581.189199312606\n3dx2,3dx2_628,6.362518815076059,65.19475398593625,365.08306539701846,402.00109010878134,402.0016277009652\n3dx2,3dx2_631,18.247233154901018,154.2773693306873,464.0924916805914,488.7835672243197,488.78435783838717\n3dx2,3dx2_636,43.201706868153785,213.0111796457744,539.7591661630161,558.5708721374876,558.5718072724175\n3dx2,3dx2_646,11.320915543122437,116.734231463397,485.3897772119109,520.5228696920984,520.5234909204519\n3dx2,3dx2_649,20.759282580211497,131.8006989672803,504.93005799136375,532.3155500796377,532.3162776791769\n3dx2,3dx2_656,10.625954379713491,94.85858849487185,454.42854250267834,495.11493376936573,495.1153265212281\n3dx2,3dx2_659,14.065050320348215,142.48609860726896,397.9289602579164,415.45634842206834,415.4572306118554\n3dx2,3dx2_661,14.33557587855456,119.13741908880851,498.86156443948096,536.540956780632,536.541890290611\n3dx2,3dx2_677,6.453512781324572,68.09266287165546,357.5465913285466,378.83500683239106,378.8355719954661\n3dx2,3dx2_687,8.3672422096467,95.25001257608845,384.3951111787641,410.55720650032157,410.55801563726976\n3dx2,3dx2_691,22.75740460618306,142.27133682264056,523.3289186912832,552.8047579067738,552.8058974170318\n3dx2,3dx2_725,47.9576174223299,216.27150422599294,540.2166874806392,556.0117041920566,556.0124912729715\n3dx2,3dx2_736,81.04606736595007,312.78978060451584,684.3644971269835,699.7882902099323,699.7889613862544\n3dx2,3dx2_741,45.35720241428941,229.29334950625483,568.6945948054436,583.8421419323481,583.8429189337577\n3dx2,3dx2_743,37.320864349997514,208.61037633045262,554.8981643264012,577.1172010874985,577.1181863585246\n3dx2,3dx2_750,23.609844944975926,166.1846761992871,569.6466916485705,606.8182050021887,606.8192788321165\n3dx2,3dx2_754,37.41336769072557,198.43904796256336,545.7303879493344,559.873198548761,559.8740967586018\n3dx2,3dx2_756,71.5206049431721,294.56653440920866,648.7383251278399,671.8635214322213,671.8644069721372\n3dx2,3dx2_761,15.559784282813832,151.8559248823697,421.9990680037029,442.5224458557045,442.5236864087135\n3dx2,3dx2_770,10.088192037676231,139.9410467335001,524.4132121242967,558.5351361251252,558.5358352330779\n3dx2,3dx2_772,24.47375590667833,146.9738903794686,546.6320620047941,581.2908365276547,581.2916567082885\n3dx2,3dx2_773,53.52249541855984,218.86518360377295,623.3310252240711,644.0822337150014,644.0831711831604\n3dx2,3dx2_774,49.20099264005993,219.7522685857761,579.1086808560544,607.7912486256581,607.7924318205913\n3dx2,3dx2_787,17.075615919993222,159.20090074163517,499.26344526180947,530.353852927726,530.3546330687943\n3dx2,3dx2_820,80.53940282944735,320.9166374942805,733.6748458907228,757.7717005156723,757.772549004982\n3dx2,3dx2_836,86.48666966318267,317.777884152977,698.0553304603116,714.7723633432935,714.7731285381652\n3dx2,3dx2_893,53.72879028560637,237.11459107867347,594.7324328592973,608.940527532865,608.9415579439443\n3dx2,3dx2_990,76.26286667349578,312.5239600410136,736.9313527015929,766.4053353701323,766.4061748239089\n2wvt,2wvt_217,50.47508425256491,248.2968386304612,553.0718955528715,562.0134425574407,562.0147880615923\n2wvt,2wvt_266,47.79503304875242,252.81687160107654,533.0578430225997,540.4980719452541,540.4995256002405\n2wvt,2wvt_404,46.65400697178384,225.83955727690275,465.1825650087015,472.14179746786016,472.14295886770424\n2wvt,2wvt_415,53.20066583770179,247.2589205775825,514.1160997658232,521.9175521891178,521.918767686302\n2wvt,2wvt_442,43.64554831267412,229.150319134117,532.595990710926,542.411588001149,542.4130680904478\n2wvt,2wvt_456,41.293362978662664,219.1491703134432,479.68200829242096,487.78126909132,487.7826270021852\n2wvt,2wvt_464,39.38716357422057,222.93055244115078,473.41883081325636,482.0398335027752,482.040874326112\n2wvt,2wvt_474,37.32603392331078,208.820501227148,441.30977494401503,446.5128388635956,446.5137093144315\n2wvt,2wvt_478,37.94706871022252,214.07610506363812,438.1471505433886,445.9773425773346,445.9785537312806\n2wvt,2wvt_492,33.66603777619341,208.79090305394405,521.0742650597978,535.9812345658328,535.9828092410119\n2wvt,2wvt_510,11.544135424374657,116.86734368076662,427.220035322356,446.4901074256805,446.4917497428858\n2wvt,2wvt_518,37.06972385789438,213.54375334833006,533.1188789893171,548.175559322857,548.1769368550143\n2wvt,2wvt_526,9.142238771032263,94.58852756559735,391.2856334200268,405.4548511769668,405.456134844573\n2wvt,2wvt_529,21.038887480301877,162.58389099215464,470.7008692234751,480.7121612255933,480.7137885170696\n2wvt,2wvt_546,10.057524694439316,105.28236967788268,460.06069105987115,481.94032195946306,481.9416695689161\n2wvt,2wvt_548,36.302508545294536,218.03873051444614,539.4660607400502,551.5444807523335,551.5460186928923\n2wvt,2wvt_552,18.37019692776129,156.0053778305926,446.23738885020475,462.31536325200506,462.31680131535524\n2wvt,2wvt_565,10.05198203097306,123.94199289496973,425.079367190479,443.29903240073253,443.300371281541\n2wvt,2wvt_574,5.06470998783765,105.33999715974063,396.6196130524474,410.355668351453,410.3568439556896\n2wvt,2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43.862544350481826,307.1834398074372,1226.8575363740174,1253.3356678066868,1253.335994364231\n4x6p,4x6p_380,8.163434982969013,175.9560357417438,1220.5214918009813,1284.5641868265209,1284.5642103369637\n4x6p,4x6p_381,166.02262330319854,734.6302406402748,1885.89243331789,1933.6680807630598,1933.6683205703985\n4x6p,4x6p_398,155.1137522859021,680.2625476420062,1824.6094813015734,1866.8308721853348,1866.831089849585\n4x6p,4x6p_401,117.98094761044167,539.2089649297255,1396.997625826322,1427.3789481620304,1427.3791629336652\n4x6p,4x6p_407,169.3013926779294,742.7303614450109,1894.9413745048914,1934.6837964826902,1934.683874449558\n4x6p,4x6p_421,87.51663739962711,458.95154749140664,1437.2426816270247,1473.7903269807946,1473.79039647192\n4x6p,4x6p_426,47.934011398718894,389.291417420354,1388.3390731569207,1426.176297295528,1426.1764972420697\n4x6p,4x6p_427,42.96955238920643,286.40244707419924,1235.0171569586926,1286.3130741103778,1286.31309353067\n4x6p,4x6p_432,31.02598595047236,266.8199856919199,1252.3680184708396,1315.0204020085023,1315.0207076890933\n4x6p,4x6p_438,47.81383551549209,335.36059476808583,1212.6050186269938,1250.3610765101741,1250.3610830422501\n4x6p,4x6p_439,73.33178955933948,417.3360855145613,1382.4917235190903,1421.1338174914688,1421.1338400887594\n4x6p,4x6p_441,20.460085629023375,233.89571417783137,1131.9486889711752,1168.7908981507271,1168.7909252744287\n4x6p,4x6p_448,66.77893048335925,395.27291614439997,1303.428792830671,1351.098123474228,1351.0981677542807\n4x6p,4x6p_454,77.08064897006719,467.6096955806211,1573.9600425601054,1653.337277015545,1653.337353063359\n4x6p,4x6p_463,62.18360526425892,360.5718170226628,1223.3975130094695,1251.8540725147534,1251.8540974969517\n4x6p,4x6p_481,27.466666508199317,278.57877040689266,1234.4491920830765,1281.782525386408,1281.782533193125\n4x6p,4x6p_486,83.37238999562125,426.21404873145804,1446.608254545391,1486.2839153779405,1486.2839723311229\n4x6p,4x6p_504,2.195117436935148,136.4781504023726,1030.4542575257165,1101.2369108082023,1101.236946421059\n4x6p,4x6p_513,45.51735829901654,312.52953365163904,1196.3596049535897,1248.4501154915577,1248.450144126756\n4x6p,4x6p_518,29.525838880567257,254.68199460192633,1117.4652326976316,1157.4214112684442,1157.4214423159717\n4x6p,4x6p_521,89.1717877136089,528.0279149973862,1538.6079594085104,1578.653428768808,1578.6536143000783\n4x6p,4x6p_528,7.273893747704647,164.13259641960795,1058.9398615335388,1113.8534240631557,1113.8534475688389\n4x6p,4x6p_532,16.530270494332708,167.06709177276213,1217.4519549442348,1304.48314752385,1304.4835877026437\n4x6p,4x6p_533,67.24316155710835,407.6238103267664,1408.4519160034142,1454.8039809006011,1454.8040110119193\n4x6p,4x6p_544,27.110659364616136,196.0632685473631,1207.6045736328174,1273.1964773297616,1273.1966898134845\n4x6p,4x6p_548,24.776751664157082,264.9598256157467,1211.7389188225798,1263.1270273651,1263.1274094408498\n4x6p,4x6p_549,47.60780949599654,312.7393304771919,1399.5305745344026,1458.3832863753405,1458.3833849183347\n4x6p,4x6p_550,12.968668479916236,194.68776580181452,1255.6324810729461,1308.0527052877978,1308.052861846024\n4x6p,4x6p_551,3.9921085247672696,143.68768885789993,1186.1149347709136,1265.0650400631157,1265.0650577981405\n4x6p,4x6p_553,49.35485340385789,334.23252637903516,1363.3345078854609,1410.5186643438547,1410.518697390709\n4x6p,4x6p_555,4.107246996515473,156.17432517994118,1141.989909897555,1196.6879116655803,1196.6879273382497\n4x6p,4x6p_559,30.384954598116945,293.4337250719084,1203.722663437366,1238.6715624499323,1238.6715732126831\n4x6p,4x6p_568,4.272074684398804,108.7459603205281,984.3186190090242,1049.4861355383762,1049.4861450105263\n4x6p,4x6p_570,4.5776747078987485,123.76529770157258,1131.876242744616,1179.3762965142212,1179.3763435305125\n4x6p,4x6p_571,11.195322275970002,166.23413810596546,1111.3962622547824,1175.855516793891,1175.8561549207109\n4x6p,4x6p_577,8.936848738923997,191.42954341715864,1214.9441248861638,1289.7284517506073,1289.7286472392157\n4x6p,4x6p_579,54.90231920544465,319.0679190521438,1302.351407449433,1340.4739503973096,1340.4740174930857\n4x6p,4x6p_583,5.9831914372943205,130.21050694645237,1067.8347439190948,1143.877711827041,1143.877734627295\n4x6p,4x6p_592,29.69405381403322,261.74766766227486,1287.0067840192366,1346.7637125165013,1346.7637657978776\n4x6p,4x6p_596,6.106565621113231,145.87417668523432,1226.7436788593627,1304.6051724988256,1304.6053401137924\n4x6p,4x6p_612,7.121131124745578,143.61188819565325,1136.9707650095497,1208.134559777144,1208.1345905219343\n4x6p,4x6p_620,91.99948114704121,482.41658761902926,1497.2098933587206,1546.4204534465732,1546.4204931811148\n4x6p,4x6p_621,19.995827344654742,226.49139148287816,1187.8033072872925,1225.5218220143336,1225.5218317689703\n4x6p,4x6p_623,69.53789496359231,390.89394759407486,1414.4235714979288,1472.4131807183167,1472.4132686811954\n4x6p,4x6p_636,113.32261276691985,506.59054709348163,1508.5167696881795,1547.8317236297853,1547.8317395618492\n4x6p,4x6p_637,100.4075334442061,513.7298259374269,1451.1034518579654,1492.6533764805622,1492.6534784464336\n4x6p,4x6p_642,11.698127652087411,190.44876927620166,1162.192249144598,1227.18429598076,1227.1844827737962\n4x6p,4x6p_644,46.8483032741113,302.48364655826464,1174.343763092732,1201.8345489134354,1201.8345834286865\n4x6p,4x6p_646,5.130867111134474,141.3328308583281,1105.4131671516648,1171.5726932707496,1171.572733437392\n4x6p,4x6p_649,82.61041894151248,439.1164829395907,1488.4744931315463,1529.0066260218603,1529.0069389247221\n4x6p,4x6p_650,22.08424932171762,247.59665029551928,1291.1724600828707,1326.9401641306665,1326.9402018184264\n4x6p,4x6p_653,16.06476973489829,215.4927146203537,1322.3015681632141,1369.5170844414822,1369.5171350960388\n4x6p,4x6p_657,18.157748505907318,249.78307170315776,1328.671437298243,1378.4632460210103,1378.463263797665\n4x6p,4x6p_665,5.398752093832768,130.29800378967013,1129.9026032917818,1214.9933402154036,1214.993388638617\n4x6p,4x6p_666,93.37081296135948,514.6574720362166,1536.0256309143376,1579.3509022782087,1579.3509489282799\n4x6p,4x6p_667,58.15825513896611,397.1612905088435,1326.5712269035516,1359.1471675323476,1359.1471752755842\n4x6p,4x6p_668,20.651773511439604,237.2746257245517,1174.3890683228117,1228.6448360715228,1228.6448553449343\n4x6p,4x6p_674,32.99194908070152,300.0621862386003,1343.8220741145456,1397.5538241853646,1397.553926164674\n4x6p,4x6p_688,38.77648873945688,280.5889041661269,1256.369990895446,1300.6425941962991,1300.642664579399\n4x6p,4x6p_689,14.983357272416173,192.32587337446193,1277.9842233267127,1359.1374350482151,1359.137783686181\n4x6p,4x6p_693,34.86942459810431,278.87078299718644,1210.1509906294766,1254.1026398364845,1254.1026525108564\n4x6p,4x6p_696,50.17899394679513,343.8684715541832,1383.0629690462392,1437.9357852799346,1437.9359807129617\n4x6p,4x6p_706,181.3182369683131,808.9066289023921,1999.9183877050568,2044.011766965106,2044.01188264124\n4x6p,4x6p_820,130.6779148162178,639.6549255446248,1768.020456947853,1812.0078392210796,1812.0079173141066\n4x6p,4x6p_835,179.00184276362128,768.7560618328414,1940.9626544708867,1984.1863660804556,1984.1864985731215\n4x6p,4x6p_876,192.47102225597862,796.4699579165456,1969.6267664273537,2026.7243447003893,2026.7244250468984\n4x6p,4x6p_889,190.97867385858092,807.7943253860665,1954.595169985531,1989.510790781812,1989.5108514978033\n4x6p,4x6p_89,8.826209012446329,115.1134382532906,1001.045297796315,1043.8385275997603,1043.8385473303385\n4x6p,4x6p_97,57.763214633270195,352.4556966769253,1364.8811477055324,1402.7788567407683,1402.7788674974438\n4x6p,4x6p_98,25.22905559090727,263.8334107516342,1203.9593770569486,1249.6521707831018,1249.6525383786088\n3u5j,3u5j_124,20.348742698984367,184.48750430837472,778.856790577922,814.0658062293077,814.0679247009745\n3u5j,3u5j_143,44.421171466584994,329.55246601217834,1059.4990349545888,1094.4436553072615,1094.4450637386972\n3u5j,3u5j_147,38.466797660119006,292.15823148916115,999.9897971691013,1039.3353081630248,1039.3365863159208\n3u5j,3u5j_174,44.1929256320885,323.20412748036017,1082.7363771341784,1113.020496472497,1113.0224635841832\n3u5j,3u5j_195,35.161295387051254,344.67396206242023,1021.5040568689,1060.1505247311445,1060.1523636115226\n3u5j,3u5j_20,42.505826620556974,335.7843905135248,1053.6769255570325,1082.95686972718,1082.9587338888834\n3u5j,3u5j_203,31.775723514818473,307.0733884662391,940.5538487469322,974.3311246753951,974.3325932482979\n3u5j,3u5j_213,50.73111339914027,351.4256647053392,1081.4980070993283,1121.2052036718874,1121.2059933041114\n3u5j,3u5j_233,56.68563711434515,356.08006406536543,1096.096952294,1118.834103686047,1118.8349600730328\n3u5j,3u5j_24,53.64070507625717,368.3303411875053,1068.3179843813293,1102.4572252056023,1102.4585068086278\n3u5j,3u5j_251,53.52185670610744,366.7100423016751,1100.6374334855016,1124.464586000058,1124.465686997512\n3u5j,3u5j_257,52.23424066976545,341.14404789504096,1086.8125075849644,1117.610167113546,1117.611141603017\n3u5j,3u5j_268,40.649445309484825,309.07866228043696,920.4904619107863,944.3513962738037,944.351656745237\n3u5j,3u5j_290,35.77963445736884,290.46786200507444,912.5848862724766,939.8091150598068,939.8094498140034\n3u5j,3u5j_294,57.162669772789855,366.49230456116607,1101.0291617192247,1122.986881844952,1122.9882367061728\n3u5j,3u5j_419,25.779725546987706,258.91759926636894,669.6294215836546,683.0344721047537,683.0350105796452\n3u5j,3u5j_421,27.46241095972483,295.6637007758112,876.3363895559326,907.9403112922865,907.9423290451441\n3u5j,3u5j_434,32.40279080197236,292.9421314105028,855.20160658307,880.6449087530436,880.6451083144788\n3u5j,3u5j_439,40.066414750527,308.8626749643499,889.2678965986004,918.0421701896644,918.0422935097231\n3u5j,3u5j_458,37.76244796780007,328.7366888875823,887.4874707818442,918.1556884373972,918.1557250730569\n3u5j,3u5j_47,50.625547597648385,354.1506460395675,1084.6383861498898,1120.1437435184923,1120.1451556665197\n3u5j,3u5j_475,49.1641372728327,368.208566921599,1046.7391766992046,1071.9808791364178,1071.9825546189993\n3u5j,3u5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2,12.544454079451954,116.2578264320946,554.1729371037835,602.272673104474,602.277378196128\n3u5j,3u5j_974,15.46942286590612,208.44160503208838,842.9157084130127,896.4298932661443,896.4318396286777\n3kr8,3kr8_419,159.4670158906984,559.7601058580365,1194.5366139732073,1213.8776411127412,1213.8814304011094\n3kr8,3kr8_422,160.63313488430109,577.7409272743051,1269.2689816728403,1290.9872336855296,1290.9947380899628\n3kr8,3kr8_428,160.01965115330464,568.9757315679714,1186.8616526378835,1214.078466609278,1214.083583561686\n3kr8,3kr8_441,157.9444230566462,648.784931402962,1499.4430173163391,1545.5366101165328,1545.5460153822394\n3kr8,3kr8_442,121.51713001921416,536.1261347607679,1184.5986912021167,1207.3162149816048,1207.3196599538464\n3kr8,3kr8_453,145.92403837594313,725.3290677301795,1548.1631924784017,1579.6888322595955,1579.6934461947665\n3kr8,3kr8_459,119.25374552945958,470.3115070402657,1191.2455540782983,1229.950087520932,1229.9527350028586\n3kr8,3kr8_460,103.42556493183416,506.8005869746559,1259.3020999644075,1298.664920192963,1298.6680550295023\n3kr8,3kr8_470,80.44888689308065,369.66141202479713,1061.113059199757,1108.2942620961317,1108.3010176076286\n3kr8,3kr8_475,77.89667569826865,405.4466559067776,1148.849290271235,1192.8301466597898,1192.8393564272742\n3kr8,3kr8_479,27.752479427047568,173.2529603626958,818.1921196256951,849.0579934583726,849.063238297993\n3kr8,3kr8_489,83.83863420340516,321.6032875712038,821.3837188082783,852.7382021912799,852.7410148790814\n3kr8,3kr8_492,151.91576542108274,704.3877241457791,1574.3312564523417,1610.2154217283337,1610.2236832444758\n3kr8,3kr8_498,153.2506729682222,610.476999680444,1281.6041273143237,1314.9848984692758,1314.9864246011368\n3kr8,3kr8_499,145.33260408272213,584.6449646291688,1210.8328851740685,1243.0586523847924,1243.0634829657854\n3kr8,3kr8_505,186.73502993342834,723.9395382573003,1526.3825797046857,1555.2720496380086,1555.278359746751\n3kr8,3kr8_558,134.71458485529803,554.771694542159,1248.144555738199,1279.3755724459804,1279.3815592240178\n3kr8,3kr8_568,80.7530634006081,360.38907983425474,955.6207201784529,993.4694501772866,993.4753659495352\n3kr8,3kr8_579,10.139439172011691,147.6652627508709,804.8863831298167,844.9175926345276,844.921506894541\n3kr8,3kr8_582,36.98645321309738,221.81769929148143,715.540852241998,743.2185833786413,743.2213175350794\n3kr8,3kr8_584,34.4202857704705,205.66729949551927,725.465148548369,773.1135888583805,773.1171005762299\n3kr8,3kr8_585,82.96607320030395,422.9567253148347,1171.7835929071512,1204.1960181688341,1204.202991912015\n3kr8,3kr8_595,13.368737597907241,158.39677633229343,781.9017523772434,814.0819950323803,814.0883588409157\n3kr8,3kr8_598,15.040551209584887,166.98218397284313,783.1055440871257,819.0541294666451,819.0560009182117\n3kr8,3kr8_609,94.93826088220608,450.353574243158,1173.9835941798879,1213.5636866392808,1213.5670667026614\n3kr8,3kr8_617,93.93194288984917,471.74622113849455,1100.178652176458,1129.8758817828339,1129.8778048480958\n3kr8,3kr8_619,32.950222967587685,193.66395809784282,840.9183977858751,872.1696537506932,872.1725492527993\n3kr8,3kr8_640,141.5743189509192,543.6020981746651,1174.7527170320768,1216.4511305597698,1216.4554504857113\n3kr8,3kr8_646,63.06291049283264,291.9684151595951,842.9186634702348,876.806862216503,876.8119243574761\n3kr8,3kr8_650,4.5899696881754535,84.13755568212395,623.7963899698607,657.4288385607804,657.4299408397229\n3kr8,3kr8_653,142.77951563817913,624.590016662589,1343.6179769033213,1370.4134945516214,1370.4188182864211\n3kr8,3kr8_656,37.26141548817082,178.90752447719044,878.6211592384617,915.3649648953381,915.3675879338778\n3kr8,3kr8_658,29.85690409330051,187.8888659178546,685.8373930469583,725.6530488443543,725.6569483763806\n3kr8,3kr8_661,42.725202274836896,232.81197017576113,805.0653653082579,841.4559525687355,841.4629208063027\n3kr8,3kr8_664,113.92235760841861,441.2166783048961,1054.791316332818,1087.0521616600713,1087.0581702142426\n3kr8,3kr8_674,32.23262658619933,205.99205089361823,714.9434934224545,745.341785508931,745.3466842450653\n3kr8,3kr8_683,2.213737143626559,106.21619205636318,622.1157504703891,649.7317719582201,649.7328333570024\n3kr8,3kr8_690,26.3322123501495,191.07766964320186,738.4944704617772,760.5696776273325,760.5724560025773\n3kr8,3kr8_695,25.132452471971007,186.02663937268116,718.1769615211035,765.3672133068055,765.3722546550497\n3kr8,3kr8_696,32.69020338957552,215.33567222281383,695.1721902800853,724.224158063992,724.227023184988\n3kr8,3kr8_699,75.34362083293443,260.1993123100453,830.7549441655918,859.2331886456999,859.2346713514646\n3kr8,3kr8_702,91.83257920437067,450.45035500384085,1211.1268308130402,1251.578928030672,1251.5807563199091\n3kr8,3kr8_728,2.2092297272251833,55.0979157187042,548.4173198637673,588.9559789898029,588.9560332290824\n3kr8,3kr8_731,14.328367741348922,159.7466627571375,779.6209619216497,822.0336449788831,822.0374718249415\n3kr8,3kr8_745,9.30875097025685,109.08325143355118,624.9334181402237,658.30972217283,658.3114262357011\n3kr8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8.0098935888258,651.8675740055744,651.8675740635142\n3fv2,3fv2_409,19.98413981896814,234.60525713298125,435.65398053027934,437.09931410991334,437.09931410991385\n3fv2,3fv2_412,20.27058358964796,214.43475754508668,407.7498992178143,409.48362144660297,409.4836214466034\n3fv2,3fv2_42,90.73235768117361,365.2392182116847,656.0308187021493,659.9679919773785,659.9679920530144\n3fv2,3fv2_424,25.015892154809578,229.75639241556607,408.2418344581096,409.6277329984701,409.62773299846896\n3fv2,3fv2_429,21.425009241959458,229.75906323475715,436.58510115919717,437.5955426609228,437.5955426609231\n3fv2,3fv2_430,26.06758019363058,207.31589219722397,396.16502235232997,397.3717983955297,397.37179839575674\n3fv2,3fv2_459,20.744336101598535,242.03467179697674,441.4768372028171,442.65676742029666,442.6567674202974\n3fv2,3fv2_466,55.822175431688315,321.1374815092467,567.3738975552399,570.7333568588632,570.7333569259548\n3fv2,3fv2_484,78.59816083015188,370.4636363612718,607.2216314336644,610.3390491049415,610.3390492570159\n3fv2,3fv2_485,65.9197295510615,344.4796313091298,607.7670998207221,610.9131787393734,610.9131788761349\n3fv2,3fv2_488,18.45322328578304,236.28504803399122,425.4308848910163,426.6660553432176,426.6660553432168\n3fv2,3fv2_489,19.82356238926037,239.424443217886,445.2420945796805,446.67505751877394,446.67505751877326\n3fv2,3fv2_500,20.225036581325032,236.22052629081506,442.1531242411947,443.3715174369066,443.3715174369065\n3fv2,3fv2_503,75.55075495425969,353.66448448155074,635.1075146182135,638.9952352103211,638.9952353739374\n3fv2,3fv2_509,77.17396957225995,337.0933736740388,609.3011542103582,612.8301408300593,612.8301409733288\n3fv2,3fv2_510,67.53681688735973,334.91086941592613,574.6133630791454,577.8111148753264,577.8111151257726\n3fv2,3fv2_514,79.30486243743498,360.0154217404921,645.8869932680581,648.9749120341709,648.9749120925007\n3fv2,3fv2_517,76.73224743755047,343.58863937386906,617.6686341413796,621.8199227677862,621.8199228031109\n3fv2,3fv2_520,62.64506133795571,331.09018055764085,610.4483483676443,614.4121270061644,614.412127138936\n3fv2,3fv2_547,72.70543789237726,346.5414837008225,614.3821642799367,619.1715269594566,619.1715271196032\n3fv2,3fv2_548,54.33043394655396,331.65189082085885,598.5529814416002,601.0013856987136,601.0013858114656\n3fv2,3fv2_556,63.91336308300685,312.33818800188055,552.5225984864242,555.8161955437612,555.8161955927035\n3fv2,3fv2_559,51.979731947435106,274.74195409890547,516.456513459676,519.1821833662468,519.1821834969891\n3fv2,3fv2_563,76.60784055459533,352.84756516118557,618.4578386157507,622.4008932650657,622.4008933087356\n3fv2,3fv2_566,59.44999301750822,323.15311095775763,596.3575728187017,601.0756735094361,601.0756735094353\n3fv2,3fv2_576,25.293929134816707,213.58940877008828,413.60421284789777,415.4130539040791,415.41305390437526\n3fv2,3fv2_582,71.84704819876985,340.6533756621582,598.4108404889445,601.9900098280666,601.9900100254127\n3fv2,3fv2_588,25.103654302113416,220.28506696186082,412.72056126187954,413.95636944821763,413.9563694482269\n3fv2,3fv2_590,30.68106210967369,271.937573014629,487.4180382996038,490.267640606122,490.26764060612203\n3fv2,3fv2_592,45.629439385319735,309.5930576936366,580.2675389036589,582.8772386753711,582.8772386753715\n3fv2,3fv2_613,77.66404339609846,347.6568892695107,624.7474611402237,628.2208606649476,628.2208607196204\n3fv2,3fv2_623,47.31340590399839,259.16293959927293,498.60442036497267,502.00212530613044,502.00212533883797\n3fv2,3fv2_626,61.93772558263591,316.74119887815704,574.8594563007083,579.2896337760446,579.2896338697461\n3fv2,3fv2_642,23.112696849608817,230.56604650520964,456.56221535417524,457.6906322717648,457.6906322717837\n3fv2,3fv2_652,74.99339583564108,340.60785700215996,596.8095179506637,598.3984542613528,598.3984543038499\n3fv2,3fv2_657,32.512098223897766,217.08350075010216,408.5531073894506,412.5212395560886,412.5212395561172\n3fv2,3fv2_658,21.334739085995455,222.1967449280401,413.9142704493161,415.0422930952818,415.0422930952945\n3fv2,3fv2_675,67.27228259973579,305.9586634208636,570.0325930919038,574.5755675917776,574.5755677106154\n3fv2,3fv2_676,20.420431007885757,228.69380432922847,448.9651993998538,450.5823167890072,450.5823167890069\n3fv2,3fv2_681,67.97155394448049,312.4143060208935,576.1519065953001,579.5244327951024,579.5244328374201\n3fv2,3fv2_684,29.63354563589854,258.492135802246,451.9958109560349,454.4698397930089,454.46983979416603\n3fv2,3fv2_688,24.335603904954233,239.95845333601866,472.04829321893016,473.6110524056491,473.61105240566684\n3fv2,3fv2_699,51.97339305250717,306.0928293552017,572.8021596707538,576.3292301353786,576.3292301353792\n3fv2,3fv2_832,80.13274107293742,369.51019376331067,633.294114198698,636.3148077315589,636.314807793703\n4j3l,4j3l_115,93.09525799002813,486.0030218155991,1401.2719025797437,1437.2731983086026,1437.2832118828685\n4j3l,4j3l_140,90.40488656836837,476.96225949964935,1396.8170746915366,1427.6452926638694,1427.6554922860105\n4j3l,4j3l_202,92.73935444136872,517.3290436737611,1466.2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056687313\n4j3l,4j3l_761,78.63417801788442,511.06595482492264,1582.2734343908496,1641.0746199701787,1641.0784500950488\n4j3l,4j3l_774,22.941330319895425,246.36982222366314,1158.5798630876557,1195.8676030888762,1195.8768483503795\n4j3l,4j3l_775,23.86541513853335,246.93549615745337,1165.3218442790749,1199.5850569221611,1199.5937483702508\n4j3l,4j3l_776,23.419984539575463,242.13975122914093,1192.0274566895807,1233.7924668471119,1233.802708730509\n4j3l,4j3l_777,25.752514752165833,246.29617528796882,1155.8781268725218,1201.3538697729468,1201.3637924076625\n4j3l,4j3l_782,31.09251261261722,262.6238725414159,1151.2886051536034,1196.177149501873,1196.1799466611653\n4j3l,4j3l_784,26.97953682976693,247.95211499631887,1153.9774629630178,1194.1597742104382,1194.1670691843462\n4j3l,4j3l_786,29.8178951977009,263.6502928566007,1161.1847683465096,1196.1890924700929,1196.191875034663\n4j3l,4j3l_793,59.68825993071886,429.2455606133411,1370.3287861493939,1419.532920074708,1419.5400368073392\n4j3l,4j3l_858,74.6823904851465,502.7036844145851,1556.5487445907486,1608.6932607139865,1608.7002009445312\n4j3l,4j3l_871,78.42322282517917,494.4644812943713,1543.187502034695,1590.9234378227618,1590.9314241879438\n4j3l,4j3l_888,77.08523681947577,492.71464427528093,1526.8805170376954,1580.1004832822082,1580.1067447584705\n4j3l,4j3l_991,79.3797656243832,500.06635130683156,1500.7948754442762,1549.3074772996247,1549.3124494390354\n4crc,4crc_100,13.464910758645255,201.78565698154532,1248.5758187517426,1301.0868782949833,1301.087406169506\n4crc,4crc_106,31.5799371786336,254.44560208970677,1242.8013505048123,1319.3494099475663,1319.3499264902382\n4crc,4crc_120,21.716553511108348,179.53816368343377,1237.3462412068823,1319.1316821008534,1319.13284074326\n4crc,4crc_126,8.687986111620368,103.89150195716937,985.5230348904654,1058.235431975417,1058.2357356983796\n4crc,4crc_131,158.72812945878806,760.1866054790942,1951.1620124573692,2004.3563950770929,2004.35877691581\n4crc,4crc_132,124.29705912555943,637.884800160135,1740.1163154559156,1790.719657464753,1790.720055853782\n4crc,4crc_138,93.26145421083704,545.4851986993679,1613.5478494541396,1659.7439362039045,1659.7574320281158\n4crc,4crc_140,47.288567873190814,421.6477453803743,1471.9102125425045,1537.9286702406905,1537.9386388115431\n4crc,4crc_149,143.67245202748774,727.0013332730745,1854.2024220607325,1895.3981971189114,1895.399368614016\n4crc,4crc_164,150.37269427521719,734.762841811061,1912.3275414544985,1953.69303370701,1953.6960410953618\n4crc,4crc_168,161.42257886572537,787.6273841546185,1977.7330632648627,2027.7403865046447,2027.7431103197355\n4crc,4crc_175,8.448609852856475,170.92762432398666,1094.5626472717959,1153.256772770353,1153.2580445840522\n4crc,4crc_185,144.87451912647944,753.486212870313,1921.3109650510369,1973.031863143209,1973.0347085454864\n4crc,4crc_192,130.40677916575865,743.4993417152635,1921.0167887795499,1971.5147373843413,1971.51742178572\n4crc,4crc_212,186.32733756847804,798.4873899711897,1950.056358011339,1998.2689193986455,1998.271165692989\n4crc,4crc_215,194.04556789728528,831.4765930239358,1975.8654028881308,2030.6657663047572,2030.6714812094497\n4crc,4crc_217,192.98700607349568,858.3648576252247,1979.414129966681,2038.6230921508713,2038.6292101415247\n4crc,4crc_263,162.3612750444036,734.3072874682651,1861.2990998593805,1910.6682955306896,1910.6738025990364\n4crc,4crc_291,195.03439409926156,868.624220821274,2048.522474589587,2098.499263633752,2098.507732648418\n4crc,4crc_314,182.16299814121362,780.4236288345815,1943.2677543943844,1982.3027226700121,1982.3052083153163\n4crc,4crc_323,61.549719393601045,368.11643480287114,1323.3868463957022,1367.243152570405,1367.2432319214208\n4crc,4crc_368,172.19141545854148,816.3142131672676,1990.8467174741406,2036.1363304901804,2036.137433939643\n4crc,4crc_391,97.0651423622712,472.55374733736255,1486.7414500350317,1549.5095584121043,1549.509769366447\n4crc,4crc_401,147.96567901445792,718.0053750607524,1839.6024102046572,1887.9684866752714,1887.9700114088369\n4crc,4crc_411,28.610091999372013,292.26626408269914,1298.301939194174,1344.3421696517112,1344.3421802169873\n4crc,4crc_412,114.56501649165475,564.4040539739568,1632.810989482909,1688.0391565980053,1688.0431823814924\n4crc,4crc_417,10.13773965899879,172.02077255921162,1201.165128555098,1267.8948571720664,1267.8948849620735\n4crc,4crc_423,65.39349718384668,401.53267380375274,1283.3701184339382,1325.1429181156616,1325.1487195297186\n4crc,4crc_426,127.1996747044094,650.2434495718883,1836.2280342203126,1902.12654383767,1902.1309429085768\n4crc,4crc_443,56.31848537907232,423.54377856301613,1445.8292683622417,1496.0519716137069,1496.0533318090004\n4crc,4crc_447,107.41091313865914,510.21528701627136,1431.7439696399715,1464.3266558845555,1464.3267758546629\n4crc,4crc_464,41.266929568895215,314.8894531084503,1225.0943624483223,1283.4106761062114,1283.4115000972042\n4crc,4crc_475,29.666430491388688,278.3612325167161,1235.1259934522902,1278.6684468003507,1278.6699450322396\n4crc,4crc_480,74.57156856906968,416.7247395654447,1241.065390975364,1280.5959867873228,1280.6023844376398\n4crc,4crc_481,50.52753281466483,334.98094036488664,1212.2953653338498,1248.5514754362557,1248.558891963721\n4crc,4crc_485,26.05431447042464,266.7682231029434,1364.03206794925,1433.8395394285144,1433.83959812517\n4crc,4crc_486,58.61002140607549,362.32821431671414,1345.7011986140196,1386.804010364004,1386.8047169359554\n4crc,4crc_493,33.525616396236906,261.54725918210863,1244.1608715025477,1285.306015081801,1285.3064840644104\n4crc,4crc_505,104.56643203562965,500.29977344749034,1567.3864423139091,1621.1354136412072,1621.1408469699331\n4crc,4crc_509,63.686911218366866,381.14579582511595,1318.646600813731,1348.9292468591013,1348.9356182866334\n4crc,4crc_511,67.05952985334935,399.446280520048,1506.1132164699352,1565.5431768864653,1565.5625947189117\n4crc,4crc_517,48.985102777783304,318.484373387988,1205.4548566473093,1238.8293129524009,1238.8300771684967\n4crc,4crc_528,41.8281132544571,357.96102383489233,1299.1911219406238,1359.0206971983453,1359.0215063566807\n4crc,4crc_533,84.5984263386745,469.3493317424585,1510.4551161023555,1560.2023099680484,1560.2085333731898\n4crc,4crc_537,46.07947141603213,339.3166620351181,1294.8314369867683,1345.253460682206,1345.260225567975\n4crc,4crc_538,15.902427468979374,186.70853189169642,1016.8318065045316,1072.2566397684016,1072.257844365523\n4crc,4crc_542,18.93011830268563,225.94789934988586,1171.5784931193516,1233.1322449707473,1233.1359094382979\n4crc,4crc_544,47.235955393093434,347.6963241577056,1324.709825919792,1375.0769818991816,1375.0791406038832\n4crc,4crc_549,20.055990543720334,259.6260999009592,1156.4225933055416,1200.2269758811913,1200.228827681786\n4crc,4crc_557,23.102980172401328,248.92157517656238,1262.837997683793,1309.9836876217682,1309.9894560594996\n4crc,4crc_560,17.10925994603271,249.5687250859745,1264.492284224229,1318.3807658830735,1318.38088027405\n4crc,4crc_561,30.2590554369429,269.41553812137323,1221.4044855685745,1265.1689338641002,1265.168980349083\n4crc,4crc_564,52.04341234095141,398.9104257266797,1327.6853317947293,1374.0966609165202,1374.1072037166857\n4crc,4crc_569,3.1874402862413005,169.37881151092103,1124.6011877884976,1187.4543036189932,1187.4547956883337\n4crc,4crc_571,19.548167021917838,279.29633070071344,1426.2172611693147,1478.3504762078048,1478.350540476317\n4crc,4crc_574,21.742162212131856,181.55530358553398,977.101350287841,1033.7669588489136,1033.7806699856396\n4crc,4crc_575,37.03441967064701,300.5456472414964,1411.060048874998,1474.7611955158418,1474.7624677676038\n4crc,4crc_586,69.62855871195158,394.8641270353207,1433.1692727584764,1492.1514456980794,1492.153870609792\n4crc,4crc_588,15.662424071368466,219.0857468774178,1045.3796949927187,1079.683387969151,1079.6838190596102\n4crc,4crc_590,15.06109996716718,167.44434188634412,914.5344840937511,949.3755984707137,949.3757819084533\n4crc,4crc_591,24.053543327568875,225.20981934096545,1126.8339668444141,1165.6531086553412,1165.6652066005036\n4crc,4crc_592,3.068347682901082,106.40307171010312,1119.995826987344,1191.2506949911356,1191.250697698078\n4crc,4crc_597,56.137402316727126,367.6404131232866,1395.853269260598,1450.5591552418487,1450.5598138662665\n4crc,4crc_618,5.0465824744858585,171.34791808566087,1011.247498843255,1065.6735548418387,1065.6758161041128\n4crc,4crc_620,52.13250904446583,336.6402075498258,1319.537024865398,1374.012750409716,1374.0139749440268\n4crc,4crc_626,68.3705740187622,351.3042356100646,1346.3560042988213,1408.8957776062553,1408.9080124916518\n4crc,4crc_627,23.393137483904187,243.7109821877583,1146.559551131292,1203.2260367214203,1203.2270351226425\n4crc,4crc_633,53.290029177922854,349.52117895290786,1221.1921766506548,1260.8135306003364,1260.814839708991\n4crc,4crc_636,59.85054625115828,402.1537016759337,1396.371133967672,1451.334687343073,1451.3440139199008\n4crc,4crc_644,7.068051856022744,174.80976589961978,1080.9862468505546,1130.1163155676293,1130.118035192584\n4crc,4crc_646,20.207476354246417,176.00634526132973,965.4817102653986,1016.73691468599,1016.7425298101649\n4crc,4crc_648,26.8152186967951,232.7676711628609,1123.8120733863886,1165.8314935748153,1165.8314962355616\n4crc,4crc_649,39.9002112887132,277.8517224511833,1039.8255251307123,1059.0909482485129,1059.090982552343\n4crc,4crc_656,10.06081811126086,164.29914073261824,1117.0784820562844,1165.8036042475378,1165.8039326937417\n4crc,4crc_661,29.166420140747498,258.8407740119978,1009.8286460732361,1039.603855527211,1039.603896667265\n4crc,4crc_665,14.78254807152776,174.14685391361294,1072.1271388414916,1123.9209016580323,1123.9236340963455\n4crc,4crc_673,72.72468577380025,410.70221423582234,1288.7814824742331,1343.7622134017356,1343.7624270575695\n4crc,4crc_680,39.393101099907206,331.4629620227851,1316.4492968282689,1353.3217759888514,1353.3220931844226\n4crc,4crc_682,17.947867431694732,246.20884441033675,1146.87881783203,1192.5668708593903,1192.567752123474\n4crc,4crc_685,11.545442660015153,165.20660322419542,1080.4961431423346,1143.6275398940686,1143.6275618227862\n4crc,4crc_694,32.10070940710037,235.94963076868828,1074.32197716331,1115.9932199790085,1115.9942012369866\n4crc,4crc_716,5.962567250871189,146.14851456780784,1059.0456842862407,1122.6925851211518,1122.6925982922487\n4crc,4crc_717,131.34926838501806,690.6947630844486,1794.3091066225788,1843.5419106937484,1843.546576525667\n4crc,4crc_724,6.11989523258679,144.27319846925897,1067.7060024468137,1138.538321583754,1138.538326840122\n4crc,4crc_734,2.8768902447015194,133.74695591015404,1069.3104657615977,1124.9586104178213,1124.9586173085552\n4crc,4crc_743,135.41985066270854,598.4625193226001,1662.3681982370504,1729.086669599136,1729.086863485868\n4crc,4crc_758,127.46170275980501,550.4688398919719,1575.441103390259,1627.188126964433,1627.1887019450473\n4crc,4crc_770,123.92887383780409,597.914746647299,1593.3879596229078,1649.2757540029643,1649.276267141479\n4crc,4crc_821,136.3227374903921,658.6947854359265,1806.813980310448,1856.3645800178263,1856.3645906768131\n4crc,4crc_840,29.013006357981638,274.350936083381,1050.2094503078006,1077.2493198940244,1077.2494438060576\n4crc,4crc_968,117.48972449337201,663.6945878749191,1807.2831844350576,1851.55610696895,1851.5591196229448\n4crc,4crc_99,144.98613442401145,736.39302422881,1847.7577877086867,1893.1340085248273,1893.1410984951829\n3f3c,3f3c_223,69.65608087575322,256.58254158046736,362.4936969523629,363.2868437041004,363.2868437041007\n3f3c,3f3c_256,75.20564843161365,265.83118697708915,372.2987800022113,373.160250248179,373.1602502481797\n3f3c,3f3c_258,73.4241693174788,268.361805161241,365.92316664783306,367.18771009972414,367.187710099724\n3f3c,3f3c_29,52.38673073843587,210.1811290227139,307.2463481179352,307.9154096695267,307.91540966952687\n3f3c,3f3c_326,74.99277098670882,271.37479315635704,374.94552674940263,376.4307487450692,376.43074874506925\n3f3c,3f3c_38,66.80365118459679,250.75583079557603,363.5533513941286,365.35882382054115,365.3588238205415\n3f3c,3f3c_401,75.2722785172855,257.5988749490246,353.9887644214004,354.87914875202546,354.8791487520254\n3f3c,3f3c_407,71.34462017582285,261.35789839028234,356.93710535211704,358.2407806298042,358.24078062980345\n3f3c,3f3c_411,31.895083272930986,185.8577392219507,242.31063775907677,242.38303371283135,242.38303371283158\n3f3c,3f3c_413,54.95312290260125,238.36482770286594,352.9482530057784,354.25950759335603,354.25950759335655\n3f3c,3f3c_419,72.77759145861417,266.39941082173885,368.09977766975817,369.1251474894364,369.1251474894357\n3f3c,3f3c_430,31.73106336201419,168.81764501354712,220.96800514252962,221.11502952796513,221.11502952796545\n3f3c,3f3c_442,32.59555617122327,182.8694136384912,241.09081720966785,241.28242285139322,241.28242285139322\n3f3c,3f3c_453,19.1135748438463,163.71449801002925,204.81992027777997,204.95806907945047,204.95806907945092\n3f3c,3f3c_456,28.438363632403014,172.25180779994102,223.09701121181612,223.21625227098414,223.21625227098446\n3f3c,3f3c_458,26.11882780478144,167.6856725036321,205.86833639180034,206.036678015549,206.0366780155488\n3f3c,3f3c_459,23.25322433803766,167.35550937602676,216.48055487200847,216.5747317279714,216.5747317279712\n3f3c,3f3c_463,32.86444564722538,190.18512209010598,244.98423190271188,245.11658173229256,245.1165817322926\n3f3c,3f3c_466,74.09590818006892,280.6740823017574,388.9896350574254,389.9791496467193,389.9791496467196\n3f3c,3f3c_469,27.717014462957156,184.66598792346406,244.05938340537867,244.30882486410187,244.30882486410184\n3f3c,3f3c_471,27.15176962641379,172.40910373052125,221.39773161086316,221.52475382433528,221.52475382433505\n3f3c,3f3c_472,28.984423135299437,188.92967744302783,247.4957976039712,247.88278098673382,247.88278098673376\n3f3c,3f3c_474,72.48595163691235,259.2342179502036,360.5884229811709,361.8973746566633,361.8973746566636\n3f3c,3f3c_475,26.883009826821514,174.32296770939394,227.44976128823362,227.59325911489228,227.5932591148919\n3f3c,3f3c_480,24.370109196806528,167.5668399989067,209.71253806187008,209.84353121871388,209.8435312187139\n3f3c,3f3c_485,27.594320531721664,167.38093579450526,209.3881836569245,209.5714868580592,209.571486858059\n3f3c,3f3c_491,19.70981790236193,151.8728895808763,188.99341787577302,189.20743908925712,189.2074390892571\n3f3c,3f3c_496,61.91102959670786,242.47927031469683,344.26556136495753,345.07416095296156,345.07416095296185\n3f3c,3f3c_499,30.213216812739454,173.21323943623864,228.1552067240515,228.28028647897293,228.28028647897293\n3f3c,3f3c_507,65.65892822665244,265.7906617525008,370.60544865111615,371.7178401406979,371.7178401406979\n3f3c,3f3c_508,58.44598398713723,275.627741829919,393.77861930050835,394.3396545586649,394.33965455866553\n3f3c,3f3c_510,28.19992996175709,177.4788104223624,239.92909079112525,240.04460609880937,240.04460609880897\n3f3c,3f3c_523,64.44274411457897,264.44530978499625,369.0082110433134,370.01507905104893,370.0150790510491\n3f3c,3f3c_542,31.697063656026554,175.285620306492,222.34092061351566,222.47273384273632,222.47273384273626\n3f3c,3f3c_544,68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8.25319298612342,975.223530508209,1019.9274420953267,1019.9274468473592\n2y5h,2y5h_388,3.575819331985696,90.20302969829437,800.300558594449,850.0591417614565,850.0591442328096\n2y5h,2y5h_389,130.25726677960802,580.5941388953718,1527.0512229584829,1568.2350159712296,1568.2350232292893\n2y5h,2y5h_391,140.54654413058847,607.6324490619429,1577.0522978382878,1617.6637610539096,1617.6637683453287\n2y5h,2y5h_394,36.42884224941425,307.03516534910204,1139.0848880459293,1177.5491454140151,1177.5491527679214\n2y5h,2y5h_405,91.32967468605018,458.46669786916306,1301.4598483895147,1326.4642797732054,1326.4642858038403\n2y5h,2y5h_406,95.1603389352985,507.5313660363057,1448.4704815463788,1484.3361648185823,1484.3361744449196\n2y5h,2y5h_41,142.16194598463267,612.8919194045827,1579.6276329510918,1616.994092975316,1616.994098277334\n2y5h,2y5h_410,13.784222536132164,135.72327654616794,814.1261919299934,850.4970683813315,850.4970703955745\n2y5h,2y5h_413,93.30090802875141,456.7156565001019,1328.44380945152,1374.9452974870064,1374.9453034801113\n2y5h,2y5h_414,107.6668296286351,494.1790865404208,1421.8982663986235,1467.5390628758057,1467.5390746856108\n2y5h,2y5h_416,60.3646991861267,397.90320593238,1207.194456842613,1237.1639046614598,1237.1639105964655\n2y5h,2y5h_420,100.29840277455621,482.5694513904337,1350.1258148645697,1386.9081277370108,1386.9081363379494\n2y5h,2y5h_422,76.76089020689312,459.28535001255113,1369.1253542650795,1398.335797308126,1398.335805633968\n2y5h,2y5h_432,31.507633997514127,255.70538554604315,1101.9920176267005,1130.790450701647,1130.7904582056246\n2y5h,2y5h_436,87.52807169171398,500.4556296227755,1420.72769648261,1461.6788753663752,1461.6788798448645\n2y5h,2y5h_441,44.947009832778484,277.9395250455005,1048.791790637347,1092.337580593454,1092.3375836292812\n2y5h,2y5h_446,10.075611081717371,170.26270464727202,1038.235131047554,1073.5029737740304,1073.502978212177\n2y5h,2y5h_449,33.11571267938491,245.1625178484448,1161.6794897132086,1210.756784459768,1210.756792511912\n2y5h,2y5h_450,52.21379074651677,334.9158897605071,1251.6079223489858,1293.8859530511675,1293.8859669651397\n2y5h,2y5h_463,71.45629143893287,400.87079216118684,1264.4894947835514,1301.9772260231052,1301.977234000969\n2y5h,2y5h_468,39.42089953730419,268.1115094669647,1138.1964791035937,1177.6316134297897,1177.631619565864\n2y5h,2y5h_481,59.18043471983642,410.6359286300638,1324.053011230659,1366.27712585017,1366.2771375929385\n2y5h,2y5h_483,79.77541456131681,436.3785139183607,1340.9548525491011,1382.260384098432,1382.2603899549288\n2y5h,2y5h_487,31.556339881868897,266.5369036238461,1034.323134495531,1072.6993794760285,1072.699384209129\n2y5h,2y5h_494,18.49434684009267,207.46648460862428,1104.2183227089608,1142.4999484481327,1142.4999529240051\n2y5h,2y5h_498,121.56129233139265,490.9045794913877,1407.4531658514404,1455.8836601465164,1455.8837012057434\n2y5h,2y5h_50,95.96884085742778,498.146003554571,1356.3824718933529,1410.6460331020864,1410.6460390139712\n2y5h,2y5h_518,49.055519107534955,290.9948656680223,1040.1932717610816,1089.3279632311203,1089.3279651980906\n2y5h,2y5h_520,66.66157102218557,378.9491985716423,1251.8606725159418,1299.925572834478,1299.9255755216047\n2y5h,2y5h_521,18.693067374599444,196.2721987050097,983.502040352872,1028.6361738552205,1028.636178403022\n2y5h,2y5h_540,18.593216508820415,166.04009675836295,921.6034955595819,974.4472660470227,974.4472800182567\n2y5h,2y5h_549,26.62283195621949,258.20852675728526,1140.4524522634547,1184.4655947449626,1184.4656098407927\n2y5h,2y5h_554,13.271835850693433,147.37636605025287,1015.151674954184,1055.0654707252136,1055.0654769724636\n2y5h,2y5h_56,130.2131078432376,586.9750620386789,1526.8977822761794,1566.2504305958225,1566.2504361660826\n2y5h,2y5h_580,56.40097006225338,276.77414964133897,1096.457155796946,1140.0151643591432,1140.0151659891574\n2y5h,2y5h_599,59.02247412303875,335.6537897406585,1141.6923199199214,1173.2189257879056,1173.2189301577173\n2y5h,2y5h_612,43.47836284555951,265.07872609599195,1144.7639911646108,1187.8476222217705,1187.847628617382\n2y5h,2y5h_614,59.98119993516928,281.68984256989495,1044.0266691007305,1086.9400742366026,1086.9400780435687\n2y5h,2y5h_616,119.16612656414308,589.3341431349544,1549.4895933625264,1583.6418280774596,1583.6418335222634\n2y5h,2y5h_620,12.140332630359579,161.95717969645528,1075.2971563917422,1121.297922380075,1121.2979310706262\n2y5h,2y5h_624,68.32220855786848,304.1996048750268,1054.8007349654422,1099.5805939166887,1099.5806163775621\n2y5h,2y5h_630,29.141959634081694,175.83965638194283,929.6465960901704,980.5108193109809,980.51083779955\n2y5h,2y5h_638,18.434156608040144,172.02428980460465,1024.6794146573313,1075.5842670735653,1075.584272529342\n2y5h,2y5h_641,36.84954813499789,238.57557558281962,1092.329489935462,1144.0586328896165,1144.058646131175\n2y5h,2y5h_644,54.52238205174314,290.44729847444904,1179.0863518466117,1231.3959952810699,1231.3960008416368\n2y5h,2y5h_646,20.90061906874586,189.94617649516343,1017.9216195867112,1059.9409937626947,1059.941003244569\n2y5h,2y5h_658,40.74288519987662,257.33693239005925,1058.6249286390773,1105.0020019560618,1105.0020085226515\n2y5h,2y5h_679,13.98720616194716,152.3800176043581,1014.8376956757804,1069.7812053324756,1069.7813379784945\n2y5h,2y5h_694,0.7765352870531342,61.68275973773132,778.1912483706293,848.1233616426794,848.1233686352755\n2y5h,2y5h_696,16.048751106822817,161.41084594432152,956.3513265574395,997.3587649819993,997.3587697666526\n2y5h,2y5h_703,151.6697791086863,633.1674235593528,1620.0186247523338,1658.1956566559975,1658.1956609426456\n2y5h,2y5h_705,107.1122580256124,441.7148036791925,1323.2013125206981,1375.1677195421694,1375.167722577287\n2y5h,2y5h_710,147.76525605846027,606.8039475498904,1587.1786829425214,1621.536902330621,1621.5369096616741\n2y5h,2y5h_751,7.509686980976561,116.24867961393724,916.4644704268667,953.5787853046584,953.5787962034635\n2y5h,2y5h_757,7.786016606166224,148.09306095283725,917.7156737233975,972.5283341223945,972.5283446147307\n2y5h,2y5h_762,121.68497216973151,465.17430241421,1361.7674867508347,1403.4521482355442,1403.4521532048122\n2y5h,2y5h_765,15.427450831895806,169.86643596057164,963.0503664100248,1015.5436353935925,1015.5436397453932\n2y5h,2y5h_768,18.945157487738538,193.42851029633786,1064.5026405893154,1105.798205062895,1105.7982219400374\n2y5h,2y5h_777,18.449014021091998,190.0421839073588,1016.9005704498504,1068.664860691677,1068.6648667832599\n2y5h,2y5h_795,130.91838349804664,582.1413824253007,1535.2170994465312,1582.5946486634668,1582.594653117\n2y5h,2y5h_803,118.64439386262885,535.7797975017274,1471.6645532673258,1516.985666268475,1516.985667791209\n2y5h,2y5h_831,11.692538177498093,154.2588870266552,896.2833716629826,938.5007486365945,938.5007533367544\n2y5h,2y5h_85,125.42590804536592,559.4339216631722,1493.5991503231598,1539.882773531013,1539.8827804293549\n2y5h,2y5h_866,119.85005648758805,532.7770428277383,1520.9310913884442,1561.1564254405944,1561.156428700126\n2y5h,2y5h_870,9.745923500286862,135.84200611952016,905.4313948193376,942.0816137388534,942.081621328077\n2y5h,2y5h_885,9.922826949920832,166.71944018315185,987.686376994496,1024.8082557751109,1024.8082592565088\n2y5h,2y5h_948,10.65033060706159,171.1127678355376,965.9788318840955,1001.4479188068733,1001.4479206407959\n2y5h,2y5h_955,17.823428528889966,202.95383172371723,1009.0993799046753,1047.3656196009395,1047.3656280985483\n2y5h,2y5h_958,13.07158653650285,163.96370916549017,943.9458113547122,989.173412328797,989.173424194657\n2y5h,2y5h_973,9.916362345518198,136.28084190403217,991.170320133523,1032.0013318676038,1032.0013395943147\n2wtv,2wtv_105,244.76643171467717,1057.4111116284168,2444.529704861584,2513.5410509248786,2513.5411105462804\n2wtv,2wtv_108,258.1522434255422,1133.3119833452963,2600.851404872155,2670.2677575729263,2670.267806593062\n2wtv,2wtv_118,251.33318256765983,1072.0994730404786,2490.895067895508,2552.9763490475957,2552.976410062816\n2wtv,2wtv_133,176.3129629094508,797.2014396244352,2089.6418520464863,2153.179044889737,2153.1790974158644\n2wtv,2wtv_143,248.16917277264886,1015.547659374264,2336.456993910946,2398.7788639066766,2398.7789019935317\n2wtv,2wtv_144,217.24241325557963,1002.1369767252039,2442.904561961433,2505.910674749641,2505.9107234007083\n2wtv,2wtv_152,16.8831610993556,226.53866705100066,1319.703915396099,1382.0452223044758,1382.0452477260224\n2wtv,2wtv_157,215.41673491708787,1021.0905994097868,2476.103392273815,2547.8188209864056,2547.818880664019\n2wtv,2wtv_159,41.39004196436341,291.13505783973017,1478.462029695325,1549.7457771373963,1549.7458561425456\n2wtv,2wtv_174,256.2868920040483,1124.4502052958078,2588.3119146502113,2650.23057225106,2650.2306322357636\n2wtv,2wtv_196,36.45084595740429,290.128336109785,1395.9865582646325,1450.5934831141697,1450.5935142046942\n2wtv,2wtv_20,11.156681572497716,164.48818798339772,1339.37452888392,1408.3674587143687,1408.3675227116519\n2wtv,2wtv_237,204.97344018714796,873.6960911302605,2099.529990780341,2156.0819920022886,2156.0820206360804\n2wtv,2wtv_24,11.156560550380526,169.03993523240186,1304.4379424024983,1371.7737755876856,1371.7738505235468\n2wtv,2wtv_240,195.78517310516668,927.6290465445849,2289.6202035524534,2344.6499345558336,2344.6499995002046\n2wtv,2wtv_250,11.689753126793084,170.49407895163603,1327.80446457596,1412.0239636813203,1412.0240343065113\n2wtv,2wtv_255,209.95991870424504,924.4121041037832,2205.3171660810726,2262.4908350577575,2262.490873496145\n2wtv,2wtv_260,11.059876921332135,171.90193367903188,1306.0729599168064,1364.8730950075962,1364.8731752546134\n2wtv,2wtv_289,157.53023999574862,683.8429891739202,1749.6086913329525,1813.684820993496,1813.6848596180123\n2wtv,2wtv_296,10.508377312908623,169.8969359528785,1309.2948552257333,1373.0552144553947,1373.055290028809\n2wtv,2wtv_317,17.130922636924428,232.70127542216434,1363.1651700446243,1434.0183238817592,1434.018373651624\n2wtv,2wtv_32,9.977626238245595,170.2974036069608,1300.5238202386251,1366.1775757084733,1366.1776529452684\n2wtv,2wtv_320,259.55840620471724,1100.378134495671,2534.018364852779,2586.523298672196,2586.5233580158283\n2wtv,2wtv_328,68.23246801172941,449.85757441025567,1500.0763881750986,1559.2249728083711,1559.2249974818253\n2wtv,2wtv_333,17.177898300436077,219.99816015742738,1355.276176387194,1421.7930339426553,1421.7930735480656\n2wtv,2wtv_357,246.8422260161875,1073.5420576992572,2456.65513560354,2534.132051508692,2534.132103070853\n2wtv,2wtv_376,131.7657985608354,654.7143938791912,1852.8080284896344,1923.4731833810306,1923.4732279860223\n2wtv,2wtv_38,10.129326598193755,166.84880971622053,1319.335526195163,1384.843566513266,1384.8436522652828\n2wtv,2wtv_39,11.793069827883212,170.67505604710763,1309.6939608014748,1380.9830260894207,1380.983078146586\n2wtv,2wtv_401,17.255038738162018,256.6302900775265,1387.1726074960693,1446.8514312846419,1446.8514882410072\n2wtv,2wtv_411,57.388141855220404,467.04948245877677,1689.3359018059393,1760.8507587536642,1760.8508170265127\n2wtv,2wtv_415,11.336460490399555,247.61569462021535,1374.737255215917,1441.1686094333988,1441.1686915837752\n2wtv,2wtv_421,27.0558867131587,294.5950384649311,1326.3146010887672,1391.7998682436075,1391.7999679247382\n2wtv,2wtv_427,52.62335140409934,363.2261036777488,1535.1488777091781,1595.0265802688891,1595.0266515622832\n2wtv,2wtv_432,19.828160406901734,251.06941063139857,1459.966772425244,1526.80112077656,1526.8011856384373\n2wtv,2wtv_436,22.043103854823535,287.27550905482514,1366.086211120746,1422.5448559562828,1422.5449197047471\n2wtv,2wtv_437,42.417856159001374,392.2026959024698,1583.535165173543,1648.1170650698193,1648.1171329307674\n2wtv,2wtv_455,27.983529148981514,310.2443827885955,1393.5900303818908,1451.3073730452209,1451.3074580702596\n2wtv,2wtv_459,20.169438979360912,263.0722285682003,1465.4803529944484,1552.0087857971487,1552.0088712638094\n2wtv,2wtv_460,12.292107913008786,236.01858825475915,1439.096112068797,1514.0077849908732,1514.0078410281662\n2wtv,2wtv_470,27.409931466810363,309.27025723755,1478.4415127995183,1555.9067358907266,1555.9068127674666\n2wtv,2wtv_477,19.28961428044047,251.38232114160974,1329.726779703206,1383.950845915007,1383.9509069148207\n2wtv,2wtv_481,15.335449112653027,239.01895689196664,1365.0100250102053,1428.5991008756387,1428.599153332073\n2wtv,2wtv_483,46.420206024437235,327.1856368038421,1551.3613301814373,1641.7529787767266,1641.7530737417082\n2wtv,2wtv_486,24.544674480024142,299.42416453354275,1326.2813616576098,1388.206886265281,1388.2069852652837\n2wtv,2wtv_487,15.245643110174587,233.1080897081843,1479.9474025590116,1558.1423941618389,1558.1424693480287\n2wtv,2wtv_489,12.588235625184291,187.0029749021745,1285.5777336890735,1356.7852552607387,1356.7853253898793\n2wtv,2wtv_498,16.791161546316992,231.2037854430397,1406.6731738676947,1466.3134809962958,1466.313567646431\n2wtv,2wtv_499,14.78249160479055,253.20638956793996,1417.8506057367342,1487.2910818369594,1487.2911353281113\n2wtv,2wtv_502,140.19162834397216,735.9309580910452,2033.638223993654,2093.3920842446137,2093.3921868556545\n2wtv,2wtv_506,54.106762415181514,387.8837796632122,1460.0231614571298,1514.2430885785054,1514.243116198297\n2wtv,2wtv_509,137.74034393850562,777.5024768945939,2159.0369283730993,2215.838507273066,2215.838603125342\n2wtv,2wtv_533,164.28770107525153,768.0223694754329,2071.610345249845,2134.712178508861,2134.712255210418\n2wtv,2wtv_534,72.60920631451525,443.5041051218477,1652.1638201226756,1722.993312886132,1722.9934035827819\n2wtv,2wtv_541,47.13838407302396,311.570783588651,1353.1378452058093,1405.3507191856781,1405.350768524278\n2wtv,2wtv_544,91.88512426059027,544.2454226092315,1791.5586789952283,1860.7708626723627,1860.7709321086188\n2wtv,2wtv_547,9.627966171099994,182.1144395274667,1195.0379600570313,1267.2658722374554,1267.2659629090513\n2wtv,2wtv_548,64.72891521732606,494.69994664661067,1733.266600295671,1810.4193781974025,1810.4194588674343\n2wtv,2wtv_55,6.674050749431031,158.06888804703024,1194.442668979168,1259.837329993071,1259.8373592792627\n2wtv,2wtv_551,39.32905620700098,328.7353108065894,1546.3717800730956,1637.5530793047583,1637.5531687672676\n2wtv,2wtv_557,40.756885690460265,347.14315704799037,1387.0349508607012,1442.7929608428121,1442.793008685846\n2wtv,2wtv_558,15.806382118061888,208.75929779369872,1318.0324305785555,1387.8044033837296,1387.8044636735647\n2wtv,2wtv_561,57.133917634545064,391.3847440186322,1591.9303557814276,1669.4207576452054,1669.420861310799\n2wtv,2wtv_570,21.967047536897894,177.99185018021757,1027.739219512879,1086.867099782677,1086.8671699355525\n2wtv,2wtv_575,43.87552814800733,369.6631869205164,1569.1337819348998,1647.3759313761047,1647.3760175617247\n2wtv,2wtv_576,19.0929809128815,230.3231756295986,1333.9238998123528,1382.0640033093432,1382.0640482911879\n2wtv,2wtv_579,43.70552715175864,366.7898987991343,1625.4806227087763,1721.0137028020263,1721.0137962394156\n2wtv,2wtv_581,30.086149683326397,279.612196107162,1365.8717045494827,1424.0398644841766,1424.0399013509366\n2wtv,2wtv_584,111.6760194393526,639.2447544080495,1906.4991423342178,1973.3826866905613,1973.3827656426542\n2wtv,2wtv_585,24.11691151331993,212.67571533035385,1444.024420518151,1542.4616434467562,1542.4616936991395\n2wtv,2wtv_590,83.62228507845433,475.40637122940853,1751.15179128908,1816.0891011340254,1816.0891731943505\n2wtv,2wtv_591,84.0227673486409,515.6802912249029,1731.4137730510288,1783.0165824642493,1783.0166765236243\n2wtv,2wtv_595,129.83365264502154,764.1240686551432,2130.005313476407,2207.5599722053175,2207.560060246907\n2wtv,2wtv_596,75.8627278222765,452.81373134274077,1485.5433557109416,1542.453740185548,1542.453782623943\n2wtv,2wtv_602,70.53365243457061,419.69458871830386,1504.9392307153378,1580.0974950500338,1580.0975677522433\n2wtv,2wtv_604,64.7028833852556,412.4284146628112,1472.7885619055596,1544.050786686266,1544.050837881502\n2wtv,2wtv_608,38.226641533816164,307.2490787373195,1414.6520169089463,1474.7801130278501,1474.7801714751683\n2wtv,2wtv_611,34.54232291141983,300.09728736584367,1384.649264090805,1432.220772340497,1432.2208117750054\n2wtv,2wtv_612,15.337966964704385,176.7104871144625,1314.5056869776922,1383.7461882300713,1383.7462630652092\n2wtv,2wtv_615,112.33178251771629,585.1708098335272,1798.6910740341198,1848.3990529260275,1848.3991120315332\n2wtv,2wtv_624,76.87166421948366,465.729151980691,1674.2543784871568,1756.384144508609,1756.384232520815\n2wtv,2wtv_631,56.85063117762886,323.7144710384359,1406.8217749724063,1474.7814745940873,1474.7815180327607\n2wtv,2wtv_637,15.004911817085329,185.36565042774018,1327.7340040279478,1393.745386924229,1393.7454739398393\n2wtv,2wtv_644,32.69382155520572,323.3381322918561,1509.4082187367662,1588.8736905944052,1588.8737167527547\n2wtv,2wtv_670,10.802050069650685,196.01302834559823,1442.0796197221835,1533.9001546097559,1533.9002255863436\n2wtv,2wtv_674,98.13972729339538,537.9598862243561,1701.5219319951152,1763.252184039621,1763.252229544616\n2wtv,2wtv_675,12.565117498914566,208.49806794402693,1160.8119248044623,1228.4583062881802,1228.4583306161976\n2wtv,2wtv_676,31.42223787373541,281.05572132330116,1352.3529988745415,1430.0596843935816,1430.0597626026035\n2wtv,2wtv_689,31.412337647227684,272.3523798985049,1418.7990302710032,1485.624768608487,1485.6248627810764\n2wtv,2wtv_691,92.34647473926935,499.2139533099336,1525.932436996792,1590.2287906184463,1590.2288446672706\n2wtv,2wtv_697,49.447581059807355,397.5954861457489,1561.4773487271061,1635.7457127235893,1635.7457817559518\n2wtv,2wtv_737,30.083746796614346,231.50970795262486,1242.6584018498136,1298.119096617775,1298.119125089164\n2wtv,2wtv_78,11.157522043015106,163.8387771536435,1336.5614313526225,1420.803908485904,1420.8039781053046\n2wtv,2wtv_799,31.790490733244678,169.37194767308708,1041.0725631956689,1092.3955901701247,1092.3956244042754\n2wtv,2wtv_801,5.4346497176688455,121.0087557430883,1053.9640379480697,1136.7596752041218,1136.7597108383607\n2wtv,2wtv_804,4.253870790871162,115.48870901625361,1113.2053419816634,1175.1080556375714,1175.1080900907943\n2wtv,2wtv_83,10.760218672044022,165.7742520193582,1319.0498217011502,1379.6471540042603,1379.647238993098\n2wtv,2wtv_84,11.360070241533663,168.80818901678194,1301.955560801666,1373.1684390899902,1373.168511107269\n2wtv,2wtv_90,12.604220641010992,165.31325924197628,1334.5947330931224,1410.3725937129066,1410.3726650185274\n2wtv,2wtv_98,10.986830905632702,168.4352417337025,1304.4988349516864,1379.104310263679,1379.1043745663567\n1owh,1owh_159,69.67437702057688,407.21117526008135,1098.3738454848847,1132.7429643350104,1132.7433059674122\n1owh,1owh_174,70.69103152030696,348.6861775334052,1081.0976632428208,1111.7732693464511,1111.773480468343\n1owh,1owh_187,73.32356085912329,355.8288356455571,1077.7277449234882,1113.7707230504943,1113.7710153498301\n1owh,1owh_210,92.6231592287736,474.4436536742822,1209.1967982516635,1238.7311487918191,1238.7313207439051\n1owh,1owh_213,67.98656818569124,378.0376234085915,1004.679457965252,1040.3088963218916,1040.3089341623547\n1owh,1owh_216,77.64660187150895,422.6764378589168,1200.8892606140914,1230.2396735918667,1230.2402017776594\n1owh,1owh_217,88.90977066115477,421.6972132667562,1123.9641751416075,1151.8077184905178,1151.8078497219396\n1owh,1owh_225,62.474662567352965,334.89810271538545,991.3265101873792,1021.7908637340597,1021.7908888174968\n1owh,1owh_227,33.60906656029969,228.40690394681707,733.2916937018524,758.1657725078537,758.1659012735988\n1owh,1owh_229,43.9473961292681,258.6530618787332,904.1028413446206,936.0170313417533,936.0175379813007\n1owh,1owh_232,55.004886628323064,341.2072308408972,1074.4738091920308,1102.760746174106,1102.7608912091487\n1owh,1owh_234,78.61801653470476,430.7446818913386,1174.4626657884282,1209.871133197683,1209.871263836484\n1owh,1owh_245,73.39961568212073,378.56278621161135,1050.39675723913,1074.399637047847,1074.3997995266504\n1owh,1owh_253,38.83075490288048,242.78137130966144,735.6972196105644,763.3605626237666,763.3609137664491\n1owh,1owh_255,62.377659149708855,314.945876296812,899.459863293636,921.2172099564991,921.2173448783466\n1owh,1owh_258,59.501396293612984,329.0327989423894,1030.389735806581,1056.4110176010774,1056.411239257478\n1owh,1owh_260,30.781730559784652,226.49057999258858,754.7481010414992,776.5243711193475,776.5248339193349\n1owh,1owh_265,74.42064030886786,433.26699075636395,1177.029381138103,1207.1881241492258,1207.1887118888746\n1owh,1owh_266,30.246430167637364,231.99016200287693,770.3607003029197,799.5817833537143,799.5819036380946\n1owh,1owh_269,26.285425804161772,200.84094751214792,719.3475278478932,751.104532227468,751.1045411021047\n1owh,1owh_280,61.728485995581835,307.91955783714894,961.5355851571355,988.3968049429458,988.3968795909689\n1owh,1owh_283,30.93366312335642,231.22920757051094,760.7733714526386,789.781583397279,789.7820562188806\n1owh,1owh_285,63.88155370463872,318.7629276195606,934.4490988901459,964.5793907770552,964.5796204378405\n1owh,1owh_289,75.21924036649554,420.91720929621187,1138.8165752085615,1167.1921418521542,1167.193424207209\n1owh,1owh_291,76.51827823916945,427.2458871259258,1234.873749469495,1260.597556505825,1260.5980187569753\n1owh,1owh_3,115.54472294091293,541.0424132926955,1391.0258030987795,1425.4479121205532,1425.4482097903317\n1owh,1owh_307,110.21017003094428,527.4379662319075,1348.0804675479446,1382.4617663560518,1382.4619799853058\n1owh,1owh_391,101.20307379343627,525.7626890679195,1381.0130078336683,1415.6433594631114,1415.6435788693739\n1owh,1owh_431,94.43934409228675,462.77132561678616,1211.807237542055,1243.2012127881387,1243.2020232289879\n1owh,1owh_458,47.700268005315436,265.143171307067,849.3745877437166,886.3876882951108,886.3878821995197\n1owh,1owh_470,70.70218210538287,352.96738333111557,1066.0116204397536,1105.2282873854715,1105.2283440005235\n1owh,1owh_492,52.878918662335906,340.4190032593256,963.1787584919098,997.8230567381402,997.823599203113\n1owh,1owh_509,13.546049344998853,129.9832472704966,673.7654135445874,697.2179413037262,697.2181250010952\n1owh,1owh_512,38.71088482747009,272.5470308474211,923.1387934075857,964.5031388262609,964.5031699437795\n1owh,1owh_514,67.68321373035997,354.8329555908642,1033.250338132489,1070.6085312215398,1070.608601540707\n1owh,1owh_519,10.72949807296891,132.23847737311615,731.7819095692348,764.0827298662247,764.0829777186552\n1owh,1owh_523,14.506193215528679,145.02663070192128,709.6013625026393,732.7618315007111,732.7619910887134\n1owh,1owh_528,16.131530596631464,145.35830161782857,692.0628643289125,717.2443159752851,717.2444060360359\n1owh,1owh_529,4.884941289277668,110.9249245562927,635.3655662737285,665.8643419325713,665.8643941474912\n1owh,1owh_530,22.23274042406506,181.40031692696888,810.6176323466792,854.5049946071385,854.5050865060288\n1owh,1owh_532,79.57817738407209,458.96049527980705,1185.1597678857593,1217.5306574901647,1217.530785792299\n1owh,1owh_535,11.618075231353576,153.2690973071485,746.7137683736426,794.1196762737598,794.11995247781\n1owh,1owh_538,22.75342041898725,203.51612218267218,852.1796961586757,876.5308366321566,876.530945557388\n1owh,1owh_540,98.40528403322551,502.3019585199807,1324.7430783181458,1356.4774695977148,1356.4778111607873\n1owh,1owh_550,11.440484334343827,141.0744121578601,693.7358715500835,715.6255060623156,715.6255519061277\n1owh,1owh_553,6.837803784855767,116.50033968556673,730.7779953155394,759.2898213807174,759.2904289193144\n1owh,1owh_562,6.16861821864134,105.94689591523543,633.0391081067844,667.5083486690393,667.5084135293001\n1owh,1owh_573,37.94399025971169,237.19072407389834,986.9893236928513,1021.7997075837284,1021.8001886562574\n1owh,1owh_595,33.61098816945209,206.36342552268724,853.5189608567499,889.8002751491736,889.8005828080117\n1owh,1owh_607,64.88152352062303,382.9524439666853,1117.4984126739078,1156.2397559050637,1156.2398772040538\n1owh,1owh_610,61.23245215313023,321.8011946670049,963.7188478794717,991.5038715131932,991.5039205321883\n1owh,1owh_614,63.77989404226849,427.2786540021273,1171.6306793775657,1205.9521948399756,1205.9522979611245\n1owh,1owh_629,66.23547069792896,338.8982353418113,931.6259706644175,959.2624549930504,959.2625280526875\n1owh,1owh_639,20.614243074383094,214.104723218498,816.049282376955,856.0669344273548,856.0669964531762\n1owh,1owh_641,58.38190980664073,344.7597243811657,1008.9262581125446,1042.6590940125209,1042.6594225486006\n1owh,1owh_648,43.55620752953508,344.4960934087354,1063.8929845331522,1094.4482209726402,1094.4484720232429\n1owh,1owh_673,59.93625300940337,324.6212377448028,1000.6280530510356,1039.9090105681896,1039.9090552516395\n1owh,1owh_681,37.84395643283704,235.67828645015777,923.7792148099329,966.5555483030549,966.5555802348629\n1owh,1owh_701,94.05589731122623,478.79094836352976,1273.7611961282887,1301.5128224751775,1301.5131881396649\n1owh,1owh_737,45.933712522695686,277.1852648277294,856.2199605277007,877.4167964394586,877.4169182426483\n1owh,1owh_739,35.211777250114835,272.2688229349917,871.8080339807404,902.051317505848,902.0513520280313\n1owh,1owh_745,58.911766015569754,271.1450676289146,830.294324103486,861.1932054134994,861.1932504404167\n1owh,1owh_749,46.322766544392515,263.85161196229024,848.7987292395821,879.742222212795,879.7422616492179\n1owh,1owh_750,46.49088131954151,269.1440845932737,866.859604017812,902.1621947077839,902.1622350786711\n1owh,1owh_756,48.66206877673947,261.4095491505903,806.1322228279444,841.1611713404387,841.1612049454934\n1owh,1owh_757,33.466693151524765,223.2647556585369,800.8962767370273,832.7354712439669,832.7354934096963\n1owh,1owh_760,33.30023356352029,201.8243892722361,791.4124846255436,838.3922394951925,838.3922618540602\n1owh,1owh_762,43.71498719787157,251.28499736134594,828.0605208814179,854.9393647413171,854.9394047173819\n1owh,1owh_764,51.56434531927384,287.66456491424066,899.6055785579684,930.9252306040132,930.9252642874886\n1owh,1owh_767,31.819841695946945,211.7142371628068,820.4340504259416,852.6400646108245,852.640086152948\n1owh,1owh_771,41.72511491130222,280.51901870120355,950.5209716153172,1003.6930778731462,1003.6931065274107\n1owh,1owh_773,66.00663174829057,369.9398420603701,1112.4060806193768,1140.7890217995714,1140.7895320667124\n1owh,1owh_774,48.27694559482929,295.29483229410926,975.9404062738334,1017.8819936707494,1017.8820212223244\n1owh,1owh_778,37.26574550767356,257.6967400937438,939.2727365645756,973.5013214644167,973.5013424163828\n1owh,1owh_779,47.28865097223972,288.4559764712933,959.3984270831675,995.4431649222953,995.4431911752638\n1owh,1owh_780,44.09575752111248,288.74772933114434,980.1198776394867,1024.488340717304,1024.4883689310072\n1owh,1owh_782,48.38763705172343,301.5866072727685,994.3502680962774,1036.830281140769,1036.8303031210783\n1owh,1owh_786,40.6321498255666,228.01948107576183,827.9439572231137,867.5865571474277,867.5865743459731\n1owh,1owh_787,48.01495941179216,323.0120283630026,1052.0421829199227,1085.5768495352063,1085.5769143506886\n1owh,1owh_788,36.35669409823355,249.50139718537264,933.8085568992758,970.2968844487225,970.2969077300213\n1owh,1owh_789,15.655080855119282,151.34127449766927,780.9245885562888,842.343876107418,842.3439123860805\n1owh,1owh_795,1.6128832835297577,48.38226134727762,511.14394318484347,535.3955088544656,535.3955380414718\n1owh,1owh_797,1.179899493973974,42.96736820024117,389.1612308140334,414.54151482178514,414.54161354011865\n1owh,1owh_798,1.5431738052019104,42.6711689523002,360.20176063013736,376.9924268331827,376.99251114023355\n1owh,1owh_894,81.16912146893769,451.38638989407707,1209.2376328930452,1242.6486253433284,1242.6488551262605\n1owh,1owh_917,42.06686599393334,262.687611030637,946.7013607948696,978.5143583132714,978.5143955404404\n1owh,1owh_921,71.8597479291862,421.24633033894685,1193.304215153942,1226.877066973937,1226.877244638598\n1owh,1owh_935,76.64534938992269,454.6454626729778,1270.0347045166754,1315.1938434591268,1315.193955763387\n1owh,1owh_938,87.16123768674962,463.9928612848215,1206.1884739295863,1235.3174812232555,1235.3178748369767\n1owh,1owh_977,70.46825070017277,443.2096165116506,1263.0207506426973,1296.2000956409106,1296.2008235212522\n1owh,1owh_990,60.20095850892851,373.24963282908436,1034.034889614966,1058.158189598523,1058.1582317831073\n3myg,3myg_104,20.220113146975805,190.36421699910636,1211.1499733407807,1276.9239290932442,1276.9239409692973\n3myg,3myg_110,15.224012218199642,179.18446238475596,1246.6113766126914,1340.2951483299519,1340.295160616679\n3myg,3myg_115,56.854809418268694,374.1082480865423,1246.1388276631635,1330.69568970291,1330.695700574478\n3myg,3myg_140,178.48113127619882,762.090039677676,1925.1469758678468,1977.4978526799,1977.4978673943576\n3myg,3myg_159,14.392696617576512,133.40261009569213,1050.912253881828,1103.8481420048163,1103.8481621804967\n3myg,3myg_162,11.620357306197072,140.16047441256327,1002.6388104739839,1073.9694188487556,1073.9694232174495\n3myg,3myg_181,13.644216328617848,152.08599690560865,1022.1640374573623,1099.436180664795,1099.436185399707\n3myg,3myg_198,12.295234595515334,157.70630727853205,1202.7540540482844,1268.6679542086329,1268.6679630082856\n3myg,3myg_225,195.6265794498236,846.219370405792,2041.9525467027925,2090.5845934461104,2090.584603845001\n3myg,3myg_31,14.993755120583785,151.73405814411433,999.5192140491149,1089.713121484581,1089.7131254521973\n3myg,3myg_333,213.97839836416534,901.8902717265241,2177.6138064420848,2219.376250972321,2219.376265469497\n3myg,3myg_370,29.410286683745177,199.72749312520577,1233.172541267976,1302.4640597563011,1302.4640700831735\n3myg,3myg_407,23.389784881322132,204.59130813052303,1200.2384999397007,1271.055329760326,1271.0553398650088\n3myg,3myg_410,1.85586822395001,128.99684046887057,1031.2780176631163,1082.2169095530155,1082.2169156077355\n3myg,3myg_422,32.61830168496667,233.05423572332955,1184.6994462522684,1239.4684078936268,1239.4684156107232\n3myg,3myg_427,7.063085734657979,181.8835706754545,1159.4371424626568,1232.0062494073295,1232.0062607280154\n3myg,3myg_435,31.597332663828784,250.49097264140423,1168.2331894375286,1244.6747288452195,1244.6747327901066\n3myg,3myg_438,15.209666028916446,212.68200840561317,1220.7489184505253,1289.19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myg,3myg_762,49.77122051175884,334.06767593273435,1322.053928373088,1389.1608903504896,1389.1608968777994\n3myg,3myg_764,2.5890772086535754,70.86199004841298,815.8498092616319,876.7712613061454,876.7712692581902\n3myg,3myg_767,47.36851650941961,307.1844350832739,1175.757271640462,1227.971635584517,1227.971653087846\n3myg,3myg_768,38.899300374017024,223.95180033607843,1362.0061892603615,1426.356444294873,1426.3564913418704\n3myg,3myg_769,25.639596312742334,265.84918521006216,1245.0690810213698,1313.9493770256074,1313.9493857185632\n3myg,3myg_780,101.26568722891322,509.8007467164294,1611.762788858954,1676.011975989175,1676.0119893627127\n3myg,3myg_782,6.161940805955606,146.63522242614957,1096.8461792913847,1155.0324397841305,1155.0324439731896\n3myg,3myg_783,2.6754799888559093,120.56433869753768,1075.0719215688396,1127.7638743285972,1127.763879877796\n3myg,3myg_784,9.518371296223844,145.41615465928217,1141.2334864328216,1209.6712948647412,1209.671301661402\n3myg,3myg_788,13.944829192052419,162.08405033514697,1070.3530757730118,1131.8146815564971,1131.8146880714928\n3myg,3myg_792,4.055864696992073,108.14376252274013,975.6960188858453,1030.9083337185914,1030.908340140443\n3myg,3myg_794,22.863844591395825,169.12771414009603,1084.3922621835686,1156.3424324380003,1156.3424374428168\n3myg,3myg_803,189.35251151292863,873.0253049748276,2131.3416516636416,2182.366915587299,2182.3669250525245\n3myg,3myg_840,204.61070809537767,894.4514140062741,2136.1537129017256,2196.086380759853,2196.086393239416\n3myg,3myg_841,21.409927714967253,209.62748408188384,1308.5823324204443,1401.2524858003148,1401.2524919095667\n3myg,3myg_846,93.96834537624476,478.4409068201862,1575.1768688231787,1637.1974912092212,1637.1975046381876\n3myg,3myg_850,93.48200495820166,497.00674103023476,1539.506834496089,1590.803455225685,1590.8034647330462\n3myg,3myg_867,46.58670372835141,282.1152646183318,1238.8401261397094,1296.828623415113,1296.828630811686\n3myg,3myg_875,79.55624853151836,338.65273208208646,1145.412360144173,1190.8209753062727,1190.8210280054507\n3myg,3myg_882,1.3695711281456708,123.54908391120684,1125.7014453554398,1187.7323869143686,1187.7323920454996\n3myg,3myg_884,3.099768738258565,90.44906523396634,1113.0386953836949,1201.2752744387246,1201.2752804817053\n3myg,3myg_886,32.777787627472236,214.01578941942975,1185.1534323141632,1234.8880854250563,1234.888198729389\n3myg,3myg_887,1.315047263046867,117.85042354358862,1148.7450703309362,1221.4982758902324,1221.4982810985066\n3myg,3myg_890,173.79584718856432,755.904657620795,1933.3610649140617,2004.0443236016372,2004.0443333517983\n3myg,3myg_894,34.884183685598636,323.01199279547063,1349.8983865364398,1424.1235602606148,1424.1235692922946\n3myg,3myg_900,193.73844068884233,835.6702567869243,2020.723235458815,2073.7484852726743,2073.748499057774\n3myg,3myg_902,181.36511833190173,834.5376010258755,2050.388954618793,2103.7329173757958,2103.732948352544\n3myg,3myg_905,206.74753834077598,891.5311699706352,2122.5392058480347,2167.408379605846,2167.4084027951076\n3myg,3myg_913,195.63913486584016,843.0145900025309,2065.8149467369526,2121.6982766640895,2121.6983114713003\n3myg,3myg_923,185.61700684457315,809.8564241414704,1958.4896686710554,2007.8594411113122,2007.8594548573144\n3myg,3myg_925,197.70836941262735,875.6716151819284,2148.4813364130887,2207.5733486840145,2207.5733652780827\n3myg,3myg_947,169.1314818325743,777.9749287213668,1938.6635730022806,1979.4631985441745,1979.463214700784\n3myg,3myg_965,209.92965122057834,912.2844073426481,2185.307889351283,2236.596022877629,2236.596034674718\n3myg,3myg_974,17.222303831369658,181.2047909734792,1216.1593744584818,1271.1719487514392,1271.171955358214\n3myg,3myg_980,136.91030535653675,680.8007934072771,1816.8033983874132,1861.726717700299,1861.7267251856335\n3myg,3myg_994,71.44164331495799,441.94375512351803,1403.5660685137307,1458.4473198196333,1458.447333118069\n3u9q,3u9q_133,68.7154588068767,248.60063085570334,484.97390597980683,490.8774955533992,490.8776596420692\n3u9q,3u9q_158,66.1599423585538,244.62747693937953,486.70411794667706,492.58345323239206,492.58365715203803\n3u9q,3u9q_22,38.304119522459175,190.84651236002492,441.64864833759293,447.4811935141929,447.48143883155007\n3u9q,3u9q_234,65.0368603037631,251.25045301674425,522.7272755566794,528.4326342379242,528.4328280060622\n3u9q,3u9q_238,55.98582944851649,227.3148648954148,458.7958296210295,463.0885330988909,463.0887305007418\n3u9q,3u9q_252,67.40052906834003,248.26622596342816,527.9753493838574,534.7813786438983,534.7816601655405\n3u9q,3u9q_268,61.554801307558364,246.5057263671333,503.52243769038995,509.40452850048075,509.40477939967275\n3u9q,3u9q_273,60.93785491827669,250.71303048648016,523.2894447659282,532.5801986295394,532.5804660430283\n3u9q,3u9q_278,65.42906110854594,254.40568853579995,516.8528112452527,520.4589863470042,520.4591964552181\n3u9q,3u9q_282,59.60207174767868,240.06305469697625,491.04033754235695,496.0645094488084,496.06477349214634\n3u9q,3u9q_286,47.72579005934015,206.761054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14458,321.9771636296629,331.487700403824,331.48817347059264\n2cbv,2cbv_781,25.057433938880063,191.204251522311,464.46783098432536,480.70349086440933,480.7041376844612\n2cbv,2cbv_785,13.809836738026856,140.4296428844045,316.75300617651834,324.6963366225006,324.6969827528061\n2cbv,2cbv_869,14.026289326177983,148.7698109767376,324.128363766578,335.65615846490243,335.65680721852686\n2cbv,2cbv_871,27.63664081545512,194.4710581125668,444.373626404855,453.3260386652515,453.32671770237647\n2cbv,2cbv_872,23.40657492378123,197.2842636798522,507.82135032624836,535.4263794433847,535.4268087709393\n2cbv,2cbv_877,41.5928273834476,217.8105410966974,473.75581650403404,485.6907216989379,485.6913054056236\n2cbv,2cbv_881,13.62124005846051,157.29921287220134,390.9750779664869,400.17594817355155,400.1766347140388\n2cbv,2cbv_90,48.30611496345098,228.84688708997757,460.90008000378157,468.62621853031004,468.6267487908104\n2cbv,2cbv_945,63.72529107334038,281.3162693714407,549.9375678966123,558.8617240981189,558.8622549411259\n2cbv,2cbv_984,41.30470558100329,216.47676259378588,487.2445107099656,494.9418002741193,494.9424492781213\n2cbv,2cbv_985,40.763766033680696,215.90797815251884,470.72099485257894,485.88173457575635,485.8824209393732\n3ueu,3ueu_1000,23.017328373500135,185.10143706947818,411.6521844264633,419.82191643113055,419.82711528245056\n3ueu,3ueu_120,27.80242008110754,209.36678065163306,483.9925307014452,495.0638877911076,495.0685717384176\n3ueu,3ueu_147,32.545520154591024,221.63254037034866,509.7128247643943,515.4599761584533,515.4678128643232\n3ueu,3ueu_173,29.328189816977954,210.26829969262096,514.4150189550655,531.0760895900953,531.0775536871923\n3ueu,3ueu_202,34.62142798607779,230.99302827152724,534.6774999427076,551.5835906285902,551.591462404055\n3ueu,3ueu_213,37.92580668212415,232.72057619186475,455.01891889776186,463.3991059019896,463.4015182472527\n3ueu,3ueu_22,35.85509464405211,214.02890859824342,492.1737950120658,504.46077356550717,504.46388752010733\n3ueu,3ueu_224,17.690872123617453,162.64038278661096,343.7670982308626,348.8264996368793,348.8277873524175\n3ueu,3ueu_230,38.7710846578383,201.48937819634918,415.5943013525215,423.41630505079473,423.417289446129\n3ueu,3ueu_235,33.28961814906501,195.66868676801184,410.79639935389974,414.6128080959117,414.6149745532852\n3ueu,3ueu_24,36.58218345029172,232.3811896086356,549.6198052997547,573.241756530995,573.2521164275821\n3ueu,3ueu_241,19.843647562435496,172.62636507367037,383.1964712528091,389.9002245324701,389.9019860357423\n3ueu,3ueu_244,31.212705381124632,222.10835918717373,517.6207062544956,532.2549676783207,532.2617187190831\n3ueu,3ueu_247,17.096381249461317,175.38672111670394,394.52941507170834,408.0677253996187,408.0693537255706\n3ueu,3ueu_268,32.25108335043308,199.38333744901848,418.29540864522863,427.39906766506124,427.401271080593\n3ueu,3ueu_271,33.4017813468387,189.86195715726976,386.0062098609511,394.46200640274134,394.4636736180363\n3ueu,3ueu_280,42.05943430655893,230.12720551423774,432.5603665170442,441.063510241271,441.0650318036412\n3ueu,3ueu_286,26.875689104632336,182.72108027270167,376.61970188936124,380.8509674618329,380.8524185096503\n3ueu,3ueu_287,33.356892795369546,199.7116657544968,415.3706449812732,428.6367227760565,428.639036364522\n3ueu,3ueu_291,18.331338524890494,175.76863791519904,371.4924369809265,381.7735496861432,381.7751637667025\n3ueu,3ueu_31,32.75791406557665,219.30385534723305,518.3166976176419,534.7650088434037,534.7668030666589\n3ueu,3ueu_315,35.989773867801965,246.62947052966223,535.303557041066,552.2076738145798,552.2153449160564\n3ueu,3ueu_328,34.77247955805033,252.94784304510628,568.6960134400031,583.914542200577,583.9225687684138\n3ueu,3ueu_36,38.98975713247291,249.7304088589911,549.1900690210203,564.3614781105779,564.3657838564603\n3ueu,3ueu_37,35.43693314888414,255.82071164632254,582.2352534524905,594.6970587091745,594.7026772453514\n3ueu,3ueu_392,34.53100836459322,248.11022153804024,546.3402901122084,561.5832294079743,561.5902098189999\n3ueu,3ueu_425,32.39863461374639,237.43270327345252,585.8473132743301,609.2780639323702,609.287747932374\n3ueu,3ueu_434,33.66813596687568,216.7045989936395,460.57212104381,466.56551054311063,466.5694936493543\n3ueu,3ueu_435,13.421829915823244,170.2791448806055,456.1704093687951,466.1369669033427,466.13937595679323\n3ueu,3ueu_437,30.191949174366453,229.48652037121977,561.8151153759342,583.526649023914,583.5304438015493\n3ueu,3ueu_438,32.07273280296555,244.68043337107594,591.0611523952258,610.2805220395279,610.2831863544524\n3ueu,3ueu_441,28.225384410138382,195.20149064445016,410.73677939264815,418.6015549233064,418.6054224820982\n3ueu,3ueu_447,31.243562031720412,201.46874479808068,450.7028674340446,462.5405338465503,462.54512655210266\n3ueu,3ueu_450,25.172265121193703,209.03990515702017,459.8681770111637,470.73865621672695,470.74579559232865\n3ueu,3ueu_451,37.66021356981697,226.9090492304311,449.22785481002285,459.43384427403004,459.4366117206709\n3ueu,3ueu_454,17.718035120635268,201.32833771939931,503.11225927106887,519.900665647046,519.9031913238895\n3ueu,3ueu_463,22.02686321073579,183.76388402269194,371.33822626894806,374.29958126853745,374.3027782651244\n3ueu,3ueu_465,36.14496116291738,234.56133796310627,508.5941856167378,519.1344054247942,519.1374709885364\n3ueu,3ueu_487,26.072583379956402,191.66397323088694,436.0680264679013,441.27566609165814,441.28083270313243\n3ueu,3ueu_489,14.091758776184783,147.37838778337303,311.69766710459,314.08782427623805,314.0924438256947\n3ueu,3ueu_490,14.52249634390162,169.90853102311166,454.1096232045577,465.4021926398299,465.4048309268578\n3ueu,3ueu_497,31.301150534800065,240.84270203154085,566.4881872749371,580.6447258893371,580.6535788814317\n3ueu,3ueu_514,14.591536816409146,183.3556892534395,478.48426391058837,490.2184644060074,490.2219854769172\n3ueu,3ueu_52,37.437242637256944,256.3657136701505,594.5584096515447,610.3405826922495,610.347138706601\n3ueu,3ueu_527,31.896039103275356,208.86070855283143,470.09417005576455,480.94047260794366,480.9473948610219\n3ueu,3ueu_535,15.414587794735224,163.63272045657254,498.01788107066676,517.6252607880489,517.6287122957707\n3ueu,3ueu_549,29.0830881033709,230.93643054603805,556.8794673024731,574.1324101822314,574.1369720312994\n3ueu,3ueu_550,31.86425204178508,221.98877656408726,493.6024296620696,505.01317928759136,505.0166024636921\n3ueu,3ueu_551,16.699519210466903,172.1831554412002,394.1406832168245,400.3904685399352,400.39234494904855\n3ueu,3ueu_564,27.32563075222422,212.87308163830014,547.1169821078322,562.2223695178103,562.2292938371107\n3ueu,3ueu_565,25.085100303685678,215.12951672994748,472.754795191319,480.4893944889429,480.49449493057625\n3ueu,3ueu_570,19.364255493560428,186.29188302616234,513.6466498944011,521.1116620671279,521.1156256530886\n3ueu,3ueu_574,28.03334732371999,222.04490588640553,538.0060745981277,552.9471830978811,552.9550414166595\n3ueu,3ueu_577,5.483209979803764,111.63810656780348,510.6113066522769,540.2778353509514,540.2829084976007\n3ueu,3ueu_578,31.37973960381914,185.3679953154353,442.40964815576586,446.4123853282206,446.4146233634\n3ueu,3ueu_58,37.52044134174518,242.5466467952408,549.1298580411793,563.7852799639425,563.7943435428966\n3ueu,3ueu_587,24.65847507503376,194.35889573852998,547.5759268874829,559.3549281230697,559.3578687385954\n3ueu,3ueu_592,10.862363100353923,151.2907442181004,483.6876439317928,496.79316900451505,496.79607903633155\n3ueu,3ueu_604,21.816608720373594,168.25510572091338,378.47839392745124,385.8424598345703,385.84691822454886\n3ueu,3ueu_619,16.585260239004054,163.30199439788294,357.5229420381349,362.4021353448345,362.4090302003361\n3ueu,3ueu_620,2.5354948698590953,85.46571699618036,465.2147840803577,492.4922823458083,492.4960529045389\n3ueu,3ueu_621,18.06944282240962,161.14600316987443,315.15745716376904,318.1967661537052,318.1978842182982\n3ueu,3ueu_652,9.691684115928144,128.16160965584328,471.63622161271667,493.8521253015953,493.8594675339869\n3ueu,3ueu_655,22.13449884891389,163.41356091200743,539.9360761834029,568.1478409946225,568.1532453064835\n3ueu,3ueu_666,25.05269398556224,212.55660077745785,568.7814385879182,590.3424021680189,590.3522461124229\n3ueu,3ueu_667,22.967272584955236,176.43166638725924,470.7660663650984,491.9571380644799,491.95928098836816\n3ueu,3ueu_67,34.21154033000712,250.8218896576196,553.5033613698936,568.2563085838583,568.262286542764\n3ueu,3ueu_670,13.107434156100426,177.31139372929005,450.1933293649541,457.21466701932223,457.216905749264\n3ueu,3ueu_678,22.998081960290417,191.94363525313418,449.63704256076073,461.68174546578825,461.6865745182907\n3ueu,3ueu_694,21.912922055885186,181.63633962069636,381.4846193841305,387.0775924567638,387.07908232636237\n3ueu,3ueu_8,41.357121514281005,247.53656177322907,575.2779908767612,597.9157654542639,597.9240454878708\n3ueu,3ueu_830,28.205980757308676,212.71305563038857,437.96291194873874,445.9798139389201,445.9846294888328\n3ueu,3ueu_836,15.486872258593905,151.53583936431093,306.78733088863424,309.3670412918774,309.36857656652217\n3ueu,3ueu_84,35.99847391983804,241.85749032483022,543.7203026002205,558.180262520305,558.187847639133\n3ueu,3ueu_91,38.70789219953743,261.11673651831234,572.6559099028996,596.7583594845893,596.7645666563492\n3ueu,3ueu_937,11.88884905869046,137.518322421315,270.8327636015158,272.5470687064349,272.5496186515453\n3ueu,3ueu_962,34.72966389198285,236.48182879306447,492.631443979116,503.46972794702447,503.47286589553346\n3ueu,3ueu_972,17.399541827010435,151.01132283445955,293.94500976316203,296.3421689266503,296.3434819399308\n3ueu,3ueu_996,22.78125910796849,172.26426797804695,380.82668810206474,388.8409294768796,388.8459347192757\n1mq6,1mq6_110,38.200457730708884,276.5434449195726,1052.4474744153824,1084.5649447740511,1084.5661189347\n1mq6,1mq6_126,23.745690819882217,189.84446696419562,927.3320747324533,961.2129791210972,961.2189118912245\n1mq6,1mq6_129,139.08594045689554,639.9314401892029,1627.409473176839,1663.0549475659902,1663.058064458142\n1mq6,1mq6_134,29.590875013013914,222.5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1098.9712327336265\n1mq6,1mq6_677,19.159167303711843,193.9441776194108,1047.7050458815047,1111.3151151868005,1111.3172968572421\n1mq6,1mq6_686,23.182045675040616,234.2268820238307,1028.4916617868344,1073.0369656393575,1073.0403212336196\n1mq6,1mq6_690,15.152969877185777,184.75089204447113,942.2237926036255,991.1729624805243,991.176420660227\n1mq6,1mq6_691,18.496054378919464,187.21153245842422,1048.3806865084762,1124.7017289727444,1124.721458333799\n1mq6,1mq6_695,20.52583364500631,231.1100290634712,1113.2370638683124,1182.6640704873523,1182.6652070770874\n1mq6,1mq6_722,123.52859067309917,570.9736129988044,1533.9977774859044,1564.8118073407713,1564.8133502573787\n1mq6,1mq6_723,125.48150246489621,572.3143607712306,1531.9625084691704,1565.3884702837904,1565.392001493891\n1mq6,1mq6_748,30.933849305497795,261.66830886412816,1017.3400694929993,1062.5247662615743,1062.5284129056663\n1mq6,1mq6_750,132.43260641612778,654.3702767490464,1637.4481490424444,1671.2757056779242,1671.2772781113754\n1mq6,1mq6_755,19.63588175040579,210.06644147231287,997.2556811134739,1033.571710294391,1033.5731657489127\n1mq6,1mq6_776,36.60937761492341,296.9108290011702,1142.1292720166489,1188.3237802136018,1188.3279575623465\n1mq6,1mq6_777,23.158952304986204,236.7277438019977,1078.9675019281024,1126.2427100879784,1126.2440290066343\n1mq6,1mq6_798,123.11701089760501,562.335039115696,1497.6959048595038,1533.7790341826187,1533.7820686003436\n1mq6,1mq6_805,123.84081350975013,559.0760017340612,1483.4586638237467,1518.8813459312566,1518.8845394302875\n1mq6,1mq6_848,107.66662131428915,567.8294689479437,1528.544224117576,1582.9463145833568,1582.9509279227323\n1mq6,1mq6_854,55.96891734662353,334.603921674768,1207.4050058842763,1254.7595605366448,1254.7620685739264\n1mq6,1mq6_861,39.43119696044924,309.8761676923401,1188.8657030671163,1237.402887330596,1237.4042374607675\n1mq6,1mq6_882,106.6361743463978,509.1817639872618,1415.8573312587782,1445.6584681280397,1445.6612410187695\n1mq6,1mq6_886,114.35812356766733,535.2937072982438,1463.4709353447347,1495.5626601059355,1495.5654085075219\n1mq6,1mq6_889,114.86594680909292,547.4671125523538,1481.201521145016,1528.0815597094058,1528.084102447668\n1mq6,1mq6_891,117.80092362236168,561.1681996206017,1519.796091481856,1543.766133821678,1543.7693197516812\n1mq6,1mq6_902,115.08824109985827,534.3424276331345,1429.5956825381268,1454.947787648681,1454.9504109653394\n1mq6,1mq6_907,112.25296568615947,545.9563870883375,1505.0514698277548,1538.4993220330932,1538.5024751713852\n1mq6,1mq6_909,117.65243115980111,556.2370207609044,1494.4800767677768,1523.2969500600605,1523.2994846749352\n1mq6,1mq6_910,114.85375918496707,557.9809734092851,1476.8871663332845,1512.548138999946,1512.5513104301017\n1mq6,1mq6_914,71.51327121072109,434.68389186321247,1288.4750755617397,1329.2606189321007,1329.265082497752\n1mq6,1mq6_920,57.46072050448725,356.2865647353135,1257.2058420301246,1298.018346650068,1298.0226100599427\n1mq6,1mq6_931,38.5640472478111,322.096004010182,1166.4176476520358,1213.832490060498,1213.8346746240873\n1mq6,1mq6_932,24.591558663551243,251.93104717805443,1089.60162600676,1132.7481277644242,1132.7506597832596\n1mq6,1mq6_933,47.70917442770227,344.92474368713243,1252.230024609001,1285.0487752612717,1285.0548649904304\n1mq6,1mq6_935,113.99269690073646,522.6180488132403,1421.4679231246168,1471.0549008671783,1471.058171111533\n1mq6,1mq6_951,37.47769700784784,322.3750530534847,1279.921594161792,1320.5995046677535,1320.6006204219523\n1mq6,1mq6_956,30.449473968670123,285.38018144743444,1047.1836785919975,1088.4437281856187,1088.4452290747959\n1mq6,1mq6_961,32.48811967068291,310.06184082793607,1099.5348602639724,1132.5952800793157,1132.5967180730127\n1mq6,1mq6_962,70.13235745846616,480.91724259005326,1378.1488062126798,1416.915180609227,1416.9178467880347\n1mq6,1mq6_967,18.45398805941683,208.81613040015873,995.6545471493978,1027.9929172690058,1027.9943088262976\n1mq6,1mq6_968,13.399221469053451,225.28098071988092,1023.0007036646537,1066.6863093915426,1066.689091689186\n1mq6,1mq6_969,42.388031554650574,363.01501411533735,1173.2613233654172,1204.4500647695838,1204.4513697609225\n1mq6,1mq6_970,30.937746830616565,241.57393185610124,1058.8606198286768,1097.5637355097324,1097.565113758455\n1mq6,1mq6_974,36.792285763013616,331.4364597174658,1183.1978520900664,1243.8607318845995,1243.861741377159\n1mq6,1mq6_975,21.085256035377004,224.81019690119552,1029.1484198959047,1072.1839184840792,1072.1850362856878\n1mq6,1mq6_976,28.47512214194027,243.76159115382373,1112.9567830958497,1161.3487240038671,1161.3502319262896\n1mq6,1mq6_977,34.141552436817825,365.0573754990466,1273.8043611110393,1309.9125857975444,1309.9222762642712\n1mq6,1mq6_978,63.098189082957866,428.6018742835814,1337.017572693876,1376.300771712832,1376.3134017870943\n1s38,1s38_117,144.70577512394348,445.77816037877733,901.4420098554351,922.0905365392903,922.0905751673243\n1s38,1s38_123,23.26956625364368,130.1948639383256,584.2761976800227,606.0119918098442,606.0120562238549\n1s38,1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28,1417.596950228072\n4cig,4cig_253,31.389821447900484,311.03600967164226,1360.494196667145,1415.2041187268874,1415.2076672810183\n4cig,4cig_265,39.415563688117516,328.5578820176708,1334.7359248484818,1392.7861519706548,1392.8012679524902\n4cig,4cig_267,39.80993215085144,309.9332191598036,1304.7686439148338,1365.198645227044,1365.2040261588024\n4cig,4cig_285,26.564626154337468,308.4385855888527,1351.8021357988346,1406.8540127896272,1406.8573423181183\n4cig,4cig_290,52.49595985398749,373.85027409960014,1427.6588654716459,1466.2886667721705,1466.2937058712023\n4cig,4cig_298,66.72674418298908,395.2452809092487,1420.6652521585606,1462.7673715047076,1462.7725519451335\n4cig,4cig_329,25.99025085056303,164.26093606663386,925.7753907761658,988.463261453983,988.4656108850901\n4cig,4cig_342,27.678122318217113,223.317712788369,933.1718189523724,984.6832364118669,984.6905103194925\n4cig,4cig_351,27.252983499693766,189.00137396812164,980.7410873262517,1031.3596143974078,1031.367247771175\n4cig,4cig_369,10.302350240072187,97.76867147059744,823.2221928281188,876.0572558294642,876.0613848790575\n4cig,4cig_372,25.58929765055482,228.18286275062877,1076.1593534741514,1124.2016728297815,1124.2061195300657\n4cig,4cig_386,27.68717372007966,207.75451279455854,1031.8959155307423,1094.6726586411185,1094.6752480121925\n4cig,4cig_44,50.008707871335154,329.38989718691727,1361.607861926208,1414.2726382683088,1414.2770233075623\n4cig,4cig_454,28.351778007061924,318.69689732166574,1395.7556245712146,1456.494367570458,1456.4975424630475\n4cig,4cig_480,33.991322337832486,307.82579853896453,1395.9334872473044,1436.4913024156162,1436.4954946114951\n4cig,4cig_510,17.41782079782347,216.34130903168733,1152.9512021567998,1208.1622558316326,1208.1657155757637\n4cig,4cig_524,42.28000993396697,336.0682350362248,1352.7086331604462,1389.899752972834,1389.9040606799053\n4cig,4cig_540,10.20259132646729,187.36264420315626,1073.8732594620021,1119.4962293399738,1119.4964852734497\n4cig,4cig_545,30.37677279624855,306.2168717183438,1322.3381303971616,1368.0253327986459,1368.0255861768671\n4cig,4cig_553,29.258152069213853,264.9408204547792,1209.8742481295558,1276.5292184707046,1276.5333113754843\n4cig,4cig_56,8.903618663527368,148.06514140263116,859.7850751713572,934.7679606754959,934.7748736182726\n4cig,4cig_570,11.382422634867813,143.9761628471883,915.3605623503255,985.6867966381649,985.6910992341682\n4cig,4cig_575,6.335717298078326,121.39978503422692,870.1549725573445,920.0483000261229,920.0528005506635\n4cig,4cig_589,6.0525210716149545,159.00031680724655,959.6774540875731,1007.4839635784716,1007.4872514078008\n4cig,4cig_600,52.18436210912279,403.26993272040437,1398.678259602717,1433.87234161976,1433.8762224807508\n4cig,4cig_601,27.595516855682,253.84022005547087,1246.2570046400344,1320.7469925119842,1320.7472232743298\n4cig,4cig_639,21.12439249170459,190.96267072540743,1044.2173906477562,1091.348884681521,1091.352002144486\n4cig,4cig_641,28.384290795152364,276.2309068592066,1196.085480444353,1249.5776766999115,1249.578104954433\n4cig,4cig_645,20.804785551003878,258.1019398338714,1186.8585222505596,1229.6501039016441,1229.6544439258903\n4cig,4cig_656,25.86216702737329,269.5324342256016,1369.7703561498192,1418.4698561556336,1418.4780000867647\n4cig,4cig_669,32.21142348366599,306.0569272645184,1232.4494770826511,1275.0982893959917,1275.1068594117683\n4cig,4cig_702,45.606925629586904,383.86042796479313,1430.2004212471963,1474.211870516967,1474.2160995056392\n4cig,4cig_707,40.65167807686284,379.8234765181597,1441.4795588225845,1487.3056715012117,1487.3098574454843\n4cig,4cig_710,45.57366228819998,367.1475287576619,1406.0238732742273,1457.12717678627,1457.131221038768\n4cig,4cig_716,42.685118144566815,358.50413741793557,1381.7375319069106,1444.7238509676909,1444.7277384596573\n4cig,4cig_719,41.17839415437753,349.98280687465325,1416.118599174773,1473.0670144715855,1473.0721345071265\n4cig,4cig_738,25.115298480621515,265.66545112160344,1297.9277916916153,1348.050419740131,1348.0544253921914\n4cig,4cig_739,46.57298649136348,324.35863456518047,1273.0946476945787,1323.7645704137096,1323.7688885290427\n4cig,4cig_750,30.454928383291083,320.061600088737,1249.7420608825591,1294.0576860712038,1294.0600769077344\n4cig,4cig_759,45.93337626491379,316.68858800333305,1209.8950015522084,1240.307724568091,1240.3116252972143\n4cig,4cig_762,18.489448572281464,201.3461326409976,1015.6834447821797,1057.2125303654284,1057.2143752393565\n4cig,4cig_763,39.07794603911538,335.2437178758997,1338.6150169126267,1380.4614748672022,1380.4653516548474\n4cig,4cig_766,29.457304687172556,234.30784169789354,1232.4843884464103,1277.1955806683297,1277.199177959359\n4cig,4cig_769,23.24014388000412,251.43728010352007,1030.6502841956178,1075.8733521179872,1075.8757644085565\n4cig,4cig_770,35.01938732336138,288.36687804420296,1148.7208660164636,1181.7382664362183,1181.7450529147752\n4cig,4cig_774,21.928869415283597,199.84200038387775,1048.2609546833378,1084.8262255165835,1084.8315054826548\n4cig,4cig_780,15.668646259338086,204.40551310212757,995.005272548669,1032.2728939359517,1032.2776831771423\n4cig,4cig_784,68.44881303699711,391.11699844675513,1497.3872079009352,1560.6743587673961,1560.6801144093963\n4cig,4cig_786,64.11508001631765,385.1360834176647,1444.0956642665208,1500.548694130235,1500.5538025625538\n4cig,4cig_787,66.67637106509287,396.1506599310866,1485.6726321792687,1534.0769548917935,1534.081781361565\n4cig,4cig_788,61.48423719479592,375.76413926660075,1472.4967060074675,1525.0781585002976,1525.0826975070388\n4cig,4cig_809,74.15952500931787,419.42092173740883,1530.6874015980782,1588.0485974230512,1588.0536746620317\n4cig,4cig_83,15.985900599609902,148.1220822979315,860.1948062784405,919.523840413696,919.5273037268677\n4cig,4cig_848,42.42859721023475,343.6282230080179,1339.7190145769025,1390.4141310253835,1390.4201267935255\n4cig,4cig_851,29.73744419880586,243.70754209808155,1130.1038599610504,1188.9006457965515,1188.9071693763242\n4cig,4cig_852,54.834755037679145,363.93206559084086,1427.6394257617876,1477.386306985275,1477.3901804928096\n4cig,4cig_860,27.314094216100592,202.0168954806649,1027.500160541661,1085.333828385052,1085.3404416284325\n4cig,4cig_929,42.848623065094806,320.1764952308445,1284.42749767429,1340.7533622161925,1340.7571818926149\n4cig,4cig_947,50.19811295337728,385.7540046753685,1413.998579742438,1470.88145070342,1470.8870981625773\n4cig,4cig_950,60.62079413981634,389.01223056888944,1366.1879969144481,1410.4864288920267,1410.4911901907371\n4cig,4cig_956,55.50429356778227,330.50647981121983,1302.8464049861334,1348.430090604057,1348.4346544972861\n4cig,4cig_957,59.74115711856626,345.94999042312486,1340.3276935850754,1385.4805658663715,1385.4844465414235\n4cig,4cig_98,21.136035747980102,168.76627824776642,986.8430869616694,1063.3352951029622,1063.3356807897358\n1gpn,1gpn_109,35.95957578801812,245.57491328099644,867.9297355998764,886.0569818470107,886.0580727990441\n1gpn,1gpn_252,46.155371332530095,271.4862044425562,837.0862474225722,851.2715758603914,851.2724745085588\n1gpn,1gpn_299,47.93508465073626,280.0630091354618,840.609551101847,853.2336726369753,853.2345342605887\n1gpn,1gpn_330,41.826969877173156,267.8137994181057,853.9472598895277,873.1743097188233,873.1752715077735\n1gpn,1gpn_401,40.040585719091716,265.9396004889401,829.2093522720425,844.6860054157688,844.6873091022295\n1gpn,1gpn_404,37.31147940198306,252.66862423968317,834.5730816322672,850.4830375972616,850.4837926810619\n1gpn,1gpn_405,42.778201756753845,269.6802059537955,835.9113232887333,856.6993550445117,856.7000735296789\n1gpn,1gpn_407,43.16920374565266,261.13292475076327,842.6979425650132,864.4830259918518,864.4840576215647\n1gpn,1gpn_422,37.976008223791275,255.33846380444214,765.6798621297354,780.0470996970703,780.0474169036924\n1gpn,1gpn_435,41.61400811304164,275.72843301573045,758.7951261510857,783.6994876265404,783.6999625070929\n1gpn,1gpn_443,43.41307891585256,253.00345040390516,820.0475577060957,838.936957978563,838.9379840555474\n1gpn,1gpn_446,23.671851938440092,226.81211219487287,789.5721841521115,804.7827782829934,804.7829411228107\n1gpn,1gpn_451,45.488652310863046,273.5237264269788,858.6584372339802,878.5427655086196,878.5432729352912\n1gpn,1gpn_459,23.18811836649772,220.64653104494352,758.3728537737203,775.2385317904601,775.2389487961142\n1gpn,1gpn_466,27.09495201764497,228.70087718639437,824.9517013056441,840.0596942235593,840.0602394733364\n1gpn,1gpn_471,34.434485855440876,237.54117761478997,743.1889921569599,755.2130371419232,755.2136172521863\n1gpn,1gpn_475,37.17311123326112,254.17615066147278,790.822258598022,804.8305263460146,804.8309222948459\n1gpn,1gpn_477,33.65821622721052,243.95095798398728,841.1629972469983,859.8113709791071,859.8120625788544\n1gpn,1gpn_481,20.326310210582612,217.39033189527245,786.0285909357717,810.9741986946807,810.9755977101919\n1gpn,1gpn_483,16.47110736970018,207.12876282176464,782.3533368071414,810.3094671423731,810.3096577280531\n1gpn,1gpn_490,24.501337416637202,213.316939766691,766.3691047871257,791.724220094896,791.7248033423419\n1gpn,1gpn_549,28.411917281170506,226.49702531798889,786.6617085573713,796.2195398778891,796.220124297554\n1gpn,1gpn_551,5.542311968238652,128.9164400343313,694.5004083065409,722.419050638116,722.4195078060711\n1gpn,1gpn_553,8.670913604143886,135.30937169274577,750.2270274201262,775.9420556395067,775.9420561041039\n1gpn,1gpn_555,35.673009375979746,251.91995475731915,804.7328428566625,820.0689183148407,820.0692461055362\n1gpn,1gpn_556,18.624635241096918,197.85867333377072,824.8438175786362,846.8445343405957,846.8449701463156\n1gpn,1gpn_578,22.76880094833025,202.1024459516238,658.5178425900125,670.3909780239251,670.3912802928845\n1gpn,1gpn_589,32.80775983737013,231.84164560876806,666.5633355797855,675.9231836281921,675.9234574339799\n1gpn,1gpn_596,19.04307731400202,212.80638722640555,796.2466958971482,813.8816399450725,813.8820389630365\n1gpn,1gpn_600,40.417677776173456,250.67957158033323,883.8562550589071,904.0657536444666,904.0665947760399\n1gpn,1gpn_61,41.947526078076244,270.02110111448906,817.530276193903,841.087599353847,841.0885631528306\n1gpn,1gpn_615,18.487880681238916,183.12129647494254,783.0138725203432,807.9046435874845,807.9049409216171\n1gpn,1gpn_617,23.457042231724767,194.34062990459833,692.5598468451811,700.0615932675325,700.061955713326\n1gpn,1gpn_638,31.159595379758432,236.29622072667942,736.0803553023147,744.9120603843212,744.913041754915\n1gpn,1gpn_653,29.499023302550995,221.01904610702292,755.8050526261289,773.3116112602521,773.3120613116108\n1gpn,1gpn_657,10.064538891934355,125.28732199163532,695.433672985385,724.2314538891534,724.2314672867112\n1gpn,1gpn_658,38.66510409045293,259.7466034992192,869.6529543123455,898.7198413496125,898.7202761274086\n1gpn,1gpn_662,43.765983726361796,261.6807370090032,697.6889371907744,708.6275573600984,708.6279687176849\n1gpn,1gpn_675,23.162646527801538,220.72760086155452,856.1045929419344,877.0891682527531,877.0898722724274\n1gpn,1gpn_682,13.137336005547725,160.9495207189542,772.1983184317481,793.6876804631227,793.6882883590836\n1gpn,1gpn_683,37.07062119409762,243.0534351767136,823.7998663200748,839.3717382420842,839.3721741089104\n1gpn,1gpn_684,8.228198975701584,125.93227881084793,708.6411690022653,736.0760856526844,736.0760865243718\n1gpn,1gpn_689,35.65515147695235,255.36060562042016,735.4253483438322,747.6939045579381,747.6943148845304\n1gpn,1gpn_759,15.744744999261119,188.49683285661374,812.8310168477584,837.4294209926273,837.430157049065\n1gpn,1gpn_768,8.68115084905914,129.68449499189737,718.5571636634679,739.6801877691996,739.680188321028\n1gpn,1gpn_775,24.827135430264146,233.32059369701204,809.3733431915795,825.3516298164145,825.3520437216384\n1gpn,1gpn_779,18.97891378472039,213.70640584734224,806.8699956915299,819.2109538034588,819.2123120432964\n1gpn,1gpn_781,14.11237765760834,177.3838291982692,878.7921884889287,910.2333537075477,910.2333645605697\n1gpn,1gpn_782,25.025856721837265,228.11783745563034,767.4229804399689,783.1980772776952,783.1984090554797\n1gpn,1gpn_784,4.901122568146486,109.65942028678182,650.2831404747961,672.4192882403796,672.4192890943988\n1gpn,1gpn_785,24.63704032832655,176.83231488910556,789.726550498515,812.0575892924446,812.0583079257218\n1gpn,1gpn_786,4.252878862012978,108.35422914881997,645.1108214454101,667.286247346818,667.2862482132656\n1gpn,1gpn_794,8.14781192057777,122.83288957987291,666.9862459398732,691.4942108133027,691.4942111799442\n1gpn,1gpn_796,4.9360062700431975,97.66080670614652,540.7535910802114,558.4169891896328,558.4169901576702\n1gpn,1gpn_868,17.998199415986242,210.17037553747724,797.8657139448312,813.1510169220535,813.1516148757511\n1gpn,1gpn_885,17.928005443191722,165.43131864285206,790.109087918388,817.5220896265216,817.5228055646534\n1lpg,1lpg_106,38.75422909208921,315.1420642099599,1372.0697532153288,1418.3065187069753,1418.306745363002\n1lpg,1lpg_122,30.309366340241922,211.12663656163582,1052.8372034512088,1089.2535309559146,1089.253547568834\n1lpg,1lpg_149,47.61932091657894,404.2089750587885,1479.4024411517385,1549.993649164939,1549.994873441259\n1lpg,1lpg_16,35.440556122441436,310.1897018210938,1173.3320222940608,1211.729749541358,1211.7304418171204\n1lpg,1lpg_198,20.651143177075127,240.4023509082432,1246.8218500451064,1294.222621543904,1294.2244234583864\n1lpg,1lpg_212,134.8682258590804,795.5093840350811,2061.0039299072405,2114.182489379176,2114.184448745243\n1lpg,1lpg_227,162.79839510294315,845.0475537815612,2077.962492155512,2123.617772285636,2123.624310357945\n1lpg,1lpg_237,159.39026524578975,839.3218054666668,2167.9338095440294,2210.2431420952657,2210.2436793136753\n1lpg,1lpg_239,84.49617018557247,435.7059845634245,1374.9616075857266,1419.8106201473956,1419.8153425664882\n1lpg,1lpg_244,183.86634925680076,929.099228415337,2263.861943171575,2306.9461464344754,2306.946702020514\n1lpg,1lpg_249,78.9744019625766,449.5802479084973,1459.166093314849,1507.6127396846443,1507.6127736928693\n1lpg,1lpg_253,166.4937967179602,913.7666483393748,2244.108008308817,2290.5911322997636,2290.5928117275275\n1lpg,1lpg_254,186.2419296084481,936.5678330645534,2254.551547948989,2299.7697911289188,2299.7751101278077\n1lpg,1lpg_256,153.2618963875112,865.2261152224155,2224.379575896229,2278.5115949719625,2278.5129487873983\n1lpg,1lpg_262,127.8707229617007,722.8820302812638,1908.0671313846144,1954.247491176247,1954.2475673254373\n1lpg,1lpg_266,167.74380460320967,890.043744298722,2254.970809802284,2304.441811315044,2304.4428760979645\n1lpg,1lpg_273,83.6061039869082,575.0005953856528,1755.8056177023025,1809.7256132001407,1809.725686405027\n1lpg,1lpg_282,160.27334318885005,851.52562113688,2174.400822632158,2218.7344297799036,2218.7354053638137\n1lpg,1lpg_285,174.53066552585034,901.5486014358328,2252.0616407965717,2297.8911087833035,2297.893513356772\n1lpg,1lpg_286,182.97118117061297,910.4014504991582,2222.922889305536,2263.0917171881765,2263.0950060532996\n1lpg,1lpg_290,130.90460550729182,737.7811999382844,1904.4867828100766,1943.6826979417156,1943.685043148943\n1lpg,1lpg_296,62.9062853530731,498.02002692100984,1591.2296674990314,1653.2124600746024,1653.2133359449213\n1lpg,1lpg_311,31.971494765503508,238.7909113172551,1127.2412459973966,1168.1241154066106,1168.124141778318\n1lpg,1lpg_319,34.65790016054586,319.005141841611,1269.4763666869753,1330.7314294505188,1330.7314807547364\n1lpg,1lpg_320,26.786030172653064,243.565127462774,1000.9763143498744,1037.7801952343393,1037.7802181525788\n1lpg,1lpg_323,25.995095960518643,197.18748591486988,880.3112533189227,927.432957358854,927.4329698969391\n1lpg,1lpg_327,27.48511448891828,241.68344362073856,986.1973137981427,1019.2514697820515,1019.2515018559748\n1lpg,1lpg_348,23.286111062883876,211.52892879934407,1017.7308226800552,1065.811938204555,1065.8119479377247\n1lpg,1lpg_398,44.39190551461114,388.6656733816199,1477.9339561862914,1544.1937750324873,1544.1938167289945\n1lpg,1lpg_403,43.55635094649408,360.0005806689529,1323.5596583111062,1369.269085313754,1369.2691135072535\n1lpg,1lpg_404,30.965427865158297,348.1066635148898,1403.669993355611,1451.7545755176484,1451.7547890696928\n1lpg,1lpg_405,18.138569426362878,238.35473488519776,1187.9706759947996,1243.8209056861235,1243.8209309777185\n1lpg,1lpg_407,108.05378276235216,594.7739117289584,1676.221702155649,1721.2849166690414,1721.2851775729887\n1lpg,1lpg_41,19.450344893237816,185.22506995198535,955.3876045961292,988.9596691298525,988.959676324422\n1lpg,1lpg_412,22.429619672250055,257.37131802964905,1290.462007721397,1341.6986953987027,1341.698731727841\n1lpg,1lpg_420,67.55905336504948,427.5832498030529,1409.9596831027802,1444.403115559292,1444.4096253113887\n1lpg,1lpg_434,77.9438325997988,532.5459267695526,1701.7073108947823,1741.4250427140548,1741.4251719139145\n1lpg,1lpg_441,86.9248060853863,509.77911425338954,1646.761802999505,1702.1165480074335,1702.118179555268\n1lpg,1lpg_444,43.912932043715614,369.3562236840214,1329.4656549534895,1389.4299114143712,1389.4299838835284\n1lpg,1lpg_447,25.977278008947625,265.16774146172224,1254.2294631426857,1300.9943878810043,1300.994419904186\n1lpg,1lpg_448,18.149699108144322,248.89677848771444,1163.0342447078824,1212.4549375269883,1212.4550216357536\n1lpg,1lpg_451,8.898299000890285,186.72162740487417,1172.4263109212309,1223.6826643270986,1223.683013036732\n1lpg,1lpg_455,24.643023780168352,299.45525549512604,1335.250733096883,1389.190648315533,1389.1906863804397\n1lpg,1lpg_460,68.99354250961076,549.8251507812472,1686.8024016463332,1742.9978531575075,1742.9980156036693\n1lpg,1lpg_462,73.13767073529431,483.51778901435233,1590.2455806704183,1633.2253633028254,1633.226417887811\n1lpg,1lpg_468,6.814492098238848,162.61944202663406,1220.64514407779,1301.890176694163,1301.8908579121721\n1lpg,1lpg_480,91.21593693919333,436.60728498446895,1497.6519798842826,1548.3753135892352,1548.3814572455117\n1lpg,1lpg_488,25.621490576912212,206.9898601032531,977.2393262447366,1013.5747534689103,1013.5751283664199\n1lpg,1lpg_492,48.75940526278247,446.05896197278054,1567.196493352277,1616.0459633849275,1616.0462488380654\n1lpg,1lpg_495,7.956334696083756,186.23700172077653,1228.8362745000788,1293.3579911050883,1293.3594085652576\n1lpg,1lpg_497,23.105912171155232,215.1071775818918,1040.1076664662032,1092.2808726659391,1092.2809453347409\n1lpg,1lpg_499,8.820217434225196,153.23966962841408,1122.0227230934772,1175.335939327259,1175.3359918451126\n1lpg,1lpg_500,32.68187132122014,279.7630922516728,1257.1146898859174,1314.0433316259798,1314.043585550215\n1lpg,1lpg_514,86.86160126828062,474.23229098387856,1575.6928994378147,1644.030592138305,1644.0311320492374\n1lpg,1lpg_522,15.611832391344649,203.9148819012736,1107.3255603192924,1157.1540486586032,1157.1541470668217\n1lpg,1lpg_532,4.353171023718488,123.58909070553577,921.1933867255179,963.4594990734682,963.4595880958238\n1lpg,1lpg_538,64.36075982249136,486.0557366654776,1673.3306554282722,1719.1090922644817,1719.1100326160786\n1lpg,1lpg_539,17.83367506660609,231.95420238093345,1260.1599801232926,1300.2259031632202,1300.228273832277\n1lpg,1lpg_551,21.03820467913551,215.61287893334944,1348.119326742194,1407.4210680862977,1407.4212973426438\n1lpg,1lpg_552,47.50011661027737,336.40053574405874,1376.7881915669827,1418.4916405128004,1418.4950548339152\n1lpg,1lpg_555,21.082615123497014,222.1707914412138,1150.9033467849783,1199.6596204314785,1199.660015742356\n1lpg,1lpg_556,45.033721257815,334.89938921128805,1356.258293669776,1399.540604379771,1399.5451258796884\n1lpg,1lpg_559,56.572419818929845,360.1614359844384,1364.9714758430314,1412.7774927562393,1412.7776722519918\n1lpg,1lpg_562,4.758993104249047,155.7434044460245,1077.8378091206864,1113.9126187985921,1113.913018485533\n1lpg,1lpg_570,30.798041153833466,271.68813871253207,1217.909575851279,1264.1830203643008,1264.1833306351855\n1lpg,1lpg_575,25.44325172241669,269.94129042959787,1222.2041507700083,1272.5596001669464,1272.5596216779923\n1lpg,1lpg_582,14.711125897698308,188.81201601679703,1024.6781458868195,1067.035155628015,1067.0352151543198\n1lpg,1lpg_585,3.2947238855518926,126.21024392160814,1146.2602627194392,1221.350766189527,1221.3508623009761\n1lpg,1lpg_589,77.16317246147624,465.23674719754575,1474.208139657223,1509.6020928307048,1509.6021689722493\n1lpg,1lpg_599,13.207618492173804,204.11315153540343,1195.5957481441694,1238.970086241918,1238.9717991438263\n1lpg,1lpg_61,29.613413834785913,316.93122790631605,1160.4984163911863,1195.9290179993177,1195.9304180188808\n1lpg,1lpg_619,49.5241483477065,279.56245315285213,1219.0195134140663,1256.92932625114,1256.9293384956006\n1lpg,1lpg_623,29.00803878397079,221.29765387440725,1243.386260266686,1289.1032065385705,1289.105959519566\n1lpg,1lpg_639,10.345132451620822,181.71491036787893,1096.9213986771288,1161.2890164399912,1161.2891369653507\n1lpg,1lpg_642,6.55946474904345,183.78428022479997,1231.3465427931792,1290.8850186125082,1290.8851600525693\n1lpg,1lpg_645,27.201246941555382,242.7739246354328,1110.364975809677,1145.6601857798203,1145.6602676529164\n1lpg,1lpg_646,22.992878346124918,211.7123309234566,1232.222157120531,1276.5499107988526,1276.550005638186\n1lpg,1lpg_656,6.065855977671116,171.7780881680322,1025.0701658045639,1079.410616419993,1079.4107987799864\n1lpg,1lpg_665,25.904655934071574,260.0087756920216,1366.0346320169608,1417.2362820631615,1417.2398160088526\n1lpg,1lpg_670,37.03402785008018,275.5854956126984,1162.7934876083227,1207.2363394211725,1207.2369924833051\n1lpg,1lpg_678,27.37410635881742,265.82025571171255,1212.092168547342,1243.2979258860596,1243.2983417069468\n1lpg,1lpg_679,21.363646872603386,215.4569826838259,1265.6898516008262,1305.3186603942597,1305.3190409726162\n1lpg,1lpg_687,11.48288355185355,204.47096229597852,1142.9205369206165,1185.931809898347,1185.9324820306929\n1lpg,1lpg_695,21.339509855246376,241.78992995729462,1171.9553385938189,1226.6744526411808,1226.6746414504391\n1lpg,1lpg_703,172.0289494067462,881.3134658898025,2184.2832858131123,2223.499081161823,2223.500512090701\n1lpg,1lpg_733,161.19768875202786,804.3562017697801,2065.909848057592,2107.3886698399565,2107.3902142861457\n1lpg,1lpg_734,142.67001731371315,765.4927306236517,1960.3041666965191,2001.6985628949624,2001.6990402407907\n1lpg,1lpg_740,133.58186691004943,651.0930261697415,1860.6256359499282,1916.0022330048341,1916.0024987206182\n1lpg,1lpg_75,19.49737791087441,222.3122066051802,1130.835293719497,1180.709578500556,1180.7095968883043\n1lpg,1lpg_750,133.95524186618118,650.1354950341816,1848.9007119197884,1904.8585015573913,1904.8587452283266\n1lpg,1lpg_751,139.3269931281976,694.7400415873834,1932.3339019065354,1980.4416795306279,1980.44178892576\n1lpg,1lpg_791,120.02712995784205,621.923440304943,1702.5923246932962,1753.8547321553174,1753.8557582169274\n1lpg,1lpg_86,127.89297955071041,650.0492279888605,1752.3804873016736,1790.9081591123218,1790.9098262370162\n1lpg,1lpg_866,132.5848832742162,689.3109106651597,1750.9331208773644,1801.9141923179297,1801.9142280850813\n1lpg,1lpg_885,147.66357933248818,716.52640798972,1958.3085842313005,2001.998456028614,2001.9988285827617\n1lpg,1lpg_925,141.3037893771875,743.620868090424,1954.1984816555669,2000.1482241130984,2000.148259801042\n1lpg,1lpg_958,131.87733361764688,614.9837706376311,1735.8038919961664,1793.0642839270813,1793.0643141839146\n1lpg,1lpg_972,141.09064348018833,682.0036757397905,1857.9029960615178,1913.8905845867173,1913.8907304332504\n1lpg,1lpg_98,52.292181841819165,450.182554918023,1525.9321982653855,1563.4952871967992,1563.4957008202718\n1lpg,1lpg_994,165.10742473739984,864.932144265412,2150.458807513742,2188.926206939142,2188.9262834049805\n5dwr,5dwr_144,119.19808296308918,634.6619938394255,1534.540353963027,1564.3816411516186,1564.3816992045395\n5dwr,5dwr_148,111.08833474315699,604.6104452040632,1503.2981665685265,1549.7026030025575,1549.702635528409\n5dwr,5dwr_157,124.529438887824,628.9526692902813,1547.875351909619,1572.3725300215797,1572.3725842697952\n5dwr,5dwr_162,115.04611047788462,576.104930595091,1462.1327544023259,1498.9793491390033,1498.9794128248886\n5dwr,5dwr_166,113.5330238808393,638.6043553211057,1613.5267777024442,1646.7432868916335,1646.7433666927745\n5dwr,5dwr_193,116.15862748791228,638.4241465537632,1621.1389319829425,1655.1453732163063,1655.145426283769\n5dwr,5dwr_200,124.16912066475747,653.759005288542,1609.5568919383784,1642.400697382074,1642.4009085526184\n5dwr,5dwr_215,114.36791983560184,613.3576859035973,1508.225616911638,1535.5291867459541,1535.5292172148752\n5dwr,5dwr_286,112.22463246081267,620.9521870862884,1548.345948954684,1577.985275264099,1577.9853099115332\n5dwr,5dwr_289,124.56702005150322,663.1284379455332,1639.158190753256,1674.9834354701964,1674.9835512051266\n5dwr,5dwr_297,120.68019523549097,653.3630374311275,1606.8657985773252,1634.0885321487588,1634.088756838067\n5dwr,5dwr_312,15.386624015970346,214.8395285908362,1148.936483993001,1189.3711078911688,1189.3711795915806\n5dwr,5dwr_382,129.62831979319037,659.8506150620921,1642.4369537280124,1686.4718510623454,1686.4721401522463\n5dwr,5dwr_401,47.73506034855315,391.8455550106931,1136.7767288896052,1153.2737374926724,1153.2737465152163\n5dwr,5dwr_404,104.09915807868174,566.1832378750998,1395.7621641373332,1422.3916774230474,1422.3917637861923\n5dwr,5dwr_411,36.95017386663622,345.7298670485433,1172.197367927187,1197.554459128134,1197.5544904511721\n5dwr,5dwr_412,22.43279995185626,298.6858712928853,1110.475831002381,1150.1493450369592,1150.149395182055\n5dwr,5dwr_419,64.35497466467999,428.0113640823624,1156.4397357950495,1178.5582021377495,1178.558349627274\n5dwr,5dwr_425,23.56188165619708,293.88336119325163,1146.4173791302132,1166.0278073600298,1166.0278394982806\n5dwr,5dwr_431,62.22359037044598,476.6882417745108,1372.0507458048658,1404.378224650831,1404.3782560883783\n5dwr,5dwr_441,53.8515820784017,398.1090633157916,1245.4502358373206,1269.088982460616,1269.0890735767637\n5dwr,5dwr_442,14.423476027282641,259.8729144799416,1207.449239709516,1256.2260170832758,1256.226273151135\n5dwr,5dwr_451,83.01101835449035,544.9728135500192,1444.9613045842655,1478.7815248803513,1478.7816239507267\n5dwr,5dwr_461,64.60451382188229,481.9987709164013,1320.6834867638815,1347.0849106618105,1347.0849147246768\n5dwr,5dwr_466,39.73579348426997,287.6001043617149,1268.9688019527664,1315.9968189540195,1315.9969466259856\n5dwr,5dwr_467,28.56279532579279,306.4684196946674,1039.0021959487285,1063.0706438057566,1063.0707025394752\n5dwr,5dwr_475,83.00300901723688,473.7311259456221,1222.9342830171427,1239.121358709814,1239.1214185076772\n5dwr,5dwr_480,31.622463312841465,225.42367344424855,1012.689683468209,1048.2698455974394,1048.2699879065779\n5dwr,5dwr_484,50.13080194304985,442.5455850326139,1302.9454038365413,1333.4604335392467,1333.460531086138\n5dwr,5dwr_489,100.28308652120673,582.7464328751951,1472.4878655459975,1509.2567235608174,1509.2569475596279\n5dwr,5dwr_490,26.259207548194016,280.8638219989124,1120.86507602832,1145.55846407148,1145.5586389591447\n5dwr,5dwr_497,35.032777549000414,345.8913851531733,1190.0923337531344,1227.8864964818495,1227.8866084976758\n5dwr,5dwr_498,16.863394825995766,268.8151478452924,1185.9032147702028,1223.4074643268125,1223.407523173282\n5dwr,5dwr_504,98.8522441418541,581.3051914029751,1493.3976690497914,1527.6764372613661,1527.676569608294\n5dwr,5dwr_508,10.814244919478593,231.42175505717,1090.0156473590246,1129.7084873605124,1129.708533966997\n5dwr,5dwr_518,15.88865727232475,241.34042939098657,1142.9872331254187,1194.4626928630485,1194.462800827728\n5dwr,5dwr_521,32.43481838905725,338.2823865704575,1225.0783017113902,1257.940977306822,1257.941007695581\n5dwr,5dwr_527,20.551556439882894,246.8432660235484,1038.5201971561128,1084.4886144885093,1084.488675636238\n5dwr,5dwr_534,11.472761263170277,208.27120624765394,1179.6436333674533,1227.5074578963079,1227.5075548465604\n5dwr,5dwr_542,60.06477883890496,515.8239846108764,1377.0080956940042,1413.176872848784,1413.1768836043334\n5dwr,5dwr_559,30.090853299510766,266.3211180586334,1235.6235158917366,1286.0872645407246,1286.0873218922018\n5dwr,5dwr_560,27.912180802222082,303.505907499791,1075.48550606208,1099.7903021459433,1099.7903349636306\n5dwr,5dwr_568,21.749869872997998,265.4459496021096,1262.2484457127744,1301.278597304619,1301.2786596363808\n5dwr,5dwr_574,15.307035953557502,246.97223010130242,1178.382522645962,1224.5261143058299,1224.5262492951338\n5dwr,5dwr_584,29.896835183811223,258.0898339587344,1144.9257159876436,1178.8720503930288,1178.8721723387855\n5dwr,5dwr_588,3.352322327675595,129.51438848110507,968.0219193514406,1017.0019346038509,1017.0021120076906\n5dwr,5dwr_598,8.32232220481853,198.4455691229845,982.1206224550541,1032.718294302696,1032.7183164591602\n5dwr,5dwr_604,6.960643063607743,176.11148351903424,1103.1817484956673,1161.0377275342526,1161.0377495351984\n5dwr,5dwr_610,55.26534602781677,421.9145554341056,1386.4310786949786,1422.7784920199751,1422.7785859966764\n5dwr,5dwr_612,75.61819585509811,501.25856718946665,1401.6291755232478,1435.2366442044884,1435.23669197648\n5dwr,5dwr_614,93.4998012623831,513.0886374645867,1338.9101935058982,1359.2023722022263,1359.2024213190623\n5dwr,5dwr_626,18.177501660185225,193.0604882656857,1038.2940310127678,1078.5660845991736,1078.5662417420565\n5dwr,5dwr_628,39.42306097657605,334.7382724760989,1055.5459139605077,1098.6375529814957,1098.6375608733515\n5dwr,5dwr_633,69.4752642098304,505.722954355455,1431.1737857779683,1457.7780144860733,1457.7780618800316\n5dwr,5dwr_635,12.112100456609312,202.89457847342794,1153.128285547418,1195.1520648414478,1195.1521202323775\n5dwr,5dwr_636,38.22558618125248,268.4410842087622,1207.8047091487538,1251.2694026739325,1251.269506700976\n5dwr,5dwr_637,71.8539080377016,397.14367510154193,1353.5733549295273,1412.5640410669532,1412.5641108492355\n5dwr,5dwr_638,13.599959884345713,204.9570106838323,1031.2311561977494,1078.0428389156798,1078.0428757096518\n5dwr,5dwr_640,50.015870338009,394.86459719613646,1153.2115456337924,1208.2225217086807,1208.2225508572983\n5dwr,5dwr_642,38.569814768795595,392.3884493389091,1277.3694499503674,1308.9458436173209,1308.9458854770985\n5dwr,5dwr_649,9.926992240958622,156.7381857864076,994.6353080676157,1040.3482297914916,1040.348264966112\n5dwr,5dwr_654,40.3083245636288,362.50211902816693,1207.5719884913472,1240.9114754992695,1240.911537747552\n5dwr,5dwr_663,8.214442248088965,192.5389526226748,1017.6610614844435,1076.1329237130383,1076.1329768260189\n5dwr,5dwr_666,20.92046451267487,234.05831402326123,1044.8105258820888,1093.520402590209,1093.5204846688523\n5dwr,5dwr_669,53.4008156766887,361.7264709200909,1301.2728613912807,1355.6766520541112,1355.6767369850786\n5dwr,5dwr_671,26.677475301144064,290.6940853370949,1125.5494177652931,1171.9902206473093,1171.9903378034824\n5dwr,5dwr_675,97.35224363978305,525.8063496260048,1393.8014809332437,1429.6251121542598,1429.6251838921235\n5dwr,5dwr_676,7.453138564739564,162.94380991241366,982.7523727981165,1028.7314687145977,1028.7315104150366\n5dwr,5dwr_677,8.687862638163987,198.21135037285276,1097.1438431486479,1151.4667583690461,1151.4667718137962\n5dwr,5dwr_680,17.531053173524104,272.546669733336,998.1115713066943,1030.6490511258437,1030.649079530789\n5dwr,5dwr_686,13.364076280097919,221.20924643563373,1051.898554752268,1081.841947802847,1081.8419733272783\n5dwr,5dwr_691,56.84960833830739,400.9245009194528,1102.2735891655648,1137.7450273926663,1137.7450491830457\n5dwr,5dwr_693,25.299780034173665,291.23148762363803,1330.555746573348,1382.2198807725756,1382.219901835197\n5dwr,5dwr_695,70.57172399508384,457.8302083129147,1251.557486884479,1280.5497207801366,1280.549740477942\n5dwr,5dwr_697,13.492052495426758,205.21796962197072,951.4715860440738,986.0456835774419,986.0457165607455\n5dwr,5dwr_699,44.70502797264216,381.0231507078342,1149.4424840383338,1177.4073772324643,1177.407447475864\n5dwr,5dwr_702,62.80979021511226,410.56649401966524,1284.7725377373395,1333.0333562949165,1333.0336570492027\n5dwr,5dwr_710,13.622887192318471,251.71656333704013,1159.8869415544655,1199.5026901964181,1199.50278953819\n5dwr,5dwr_711,21.535580259375255,221.7926121379707,1112.0083083119305,1149.547005201269,1149.5470136788913\n5dwr,5dwr_720,11.68765917789634,180.4867094730467,1088.1396676564143,1131.7134134825255,1131.7134259441223\n5dwr,5dwr_745,87.67999523786067,510.5418575703227,1349.0513685259762,1387.2418581275524,1387.2418875533065\n5dwr,5dwr_76,61.212341409782574,435.7349745582151,1298.2546678272554,1328.4225984588163,1328.4226068714902\n5dwr,5dwr_875,28.16745686968126,260.7281339523821,1096.0056495548085,1131.2206313783595,1131.2206775346206\n5dwr,5dwr_96,121.25830948281961,622.6227652336725,1533.1188700472196,1564.5616895295816,1564.5617617609246\n2xnb,2xnb_159,178.7019321435784,831.9858625329972,1946.520301178471,1998.2434518079333,1998.246503293883\n2xnb,2xnb_253,184.71421093349028,766.1578952268308,1782.919937167706,1829.1203024348936,1829.1248168138882\n2xnb,2xnb_26,165.5843775393136,763.2719369498685,1876.4727048175153,1936.070092221107,1936.0778395613518\n2xnb,2xnb_280,163.90074337225036,660.8018963584634,1576.4004558570978,1631.1331784614383,1631.1349995567577\n2xnb,2xnb_291,204.94853959679796,882.9648593065173,1999.0072103176783,2048.2808025663917,2048.281790354905\n2xnb,2xnb_353,29.50604120338496,171.17775203630342,848.7026754050373,895.9017345581864,895.903254519255\n2xnb,2xnb_354,174.14936363594512,733.238205203572,1711.9294293388057,1757.276393386607,1757.2772397678648\n2xnb,2xnb_400,20.3907965824188,139.52889188965167,895.8765315068381,943.3268038983672,943.3282361107644\n2xnb,2xnb_403,38.04898589342376,286.4502004197079,972.6173036875155,1008.5282930730968,1008.5308800297815\n2xnb,2xnb_409,126.02493351933929,579.276717531771,1574.4736005930547,1621.1896493639415,1621.191975540169\n2xnb,2xnb_428,24.45747686006837,211.8406655858502,989.6490519064324,1036.8628276237355,1036.862995605234\n2xnb,2xnb_430,77.09429460875064,403.3255703528359,1198.8155218082418,1252.0121975885336,1252.0135524101356\n2xnb,2xnb_434,36.2393851347831,352.2718883787225,1139.9831679870315,1182.5749847133125,1182.5764376274083\n2xnb,2xnb_437,96.95416739170528,471.7370459851423,1404.5432912365302,1478.5996904664762,1478.606136494493\n2xnb,2xnb_441,83.7677213113156,429.6393643835496,1253.2104135500724,1311.052481155481,1311.0610099081543\n2xnb,2xnb_446,12.799857460989614,141.02428992770132,982.6667678120298,1048.6583345897452,1048.6584242306424\n2xnb,2xnb_454,40.58277546713419,265.68812679146487,1085.7691183619252,1127.4802101880496,1127.4817165001557\n2xnb,2xnb_455,111.20491607918623,479.3757273388353,1285.3443689694802,1347.9469334229714,1347.94839283658\n2xnb,2xnb_459,15.75616980681376,197.6458359307877,865.3417711479398,916.0639963611524,916.0643497228259\n2xnb,2xnb_46,194.33665125831394,809.0631787882439,1886.538231751728,1939.4547424289092,1939.4553920768687\n2xnb,2xnb_462,35.931891359964816,312.1890746542975,1184.5264638155347,1238.3689795414111,1238.3700445574952\n2xnb,2xnb_463,63.58550319706615,350.74769832256715,1155.693330600099,1198.22714010211,1198.2273157287766\n2xnb,2xnb_476,67.6379315055306,377.5413545745577,1109.7463582408473,1139.02707664337,1139.0283440160183\n2xnb,2xnb_479,12.328543618224272,154.42433503096683,1054.7111538598665,1101.9375900352254,1101.9386002315377\n2xnb,2xnb_481,23.79186841303873,224.57924826908044,997.0185035009052,1039.8392301707443,1039.842361293658\n2xnb,2xnb_483,88.38835018798588,394.1831170877442,1265.8045632560154,1325.8713747711633,1325.8714413978441\n2xnb,2xnb_484,8.268484460745702,143.87186895456796,914.9279706175507,966.5596509523925,966.5598125393323\n2xnb,2xnb_487,72.99064930668729,401.73940040347213,1255.9464629406837,1314.8097147887304,1314.8099902036229\n2xnb,2xnb_488,108.05735439333188,496.01582245155055,1352.780520190163,1389.9476165760163,1389.9476835080434\n2xnb,2xnb_499,42.47120678400252,304.212654623097,1109.4000705723245,1160.0653997492332,1160.067808577638\n2xnb,2xnb_517,12.684127032506705,149.1981060572576,928.09286426324,982.1705541034505,982.1722655953431\n2xnb,2xnb_538,7.293910829419282,126.88281382982684,890.4697966389409,937.5961527081133,937.5961943452844\n2xnb,2xnb_539,8.278226668863962,185.93448785035105,874.2700105070907,923.5658785305573,923.5659006261545\n2xnb,2xnb_545,31.528430977814015,235.81010820284314,1058.0700057041524,1111.1202365974123,1111.1283154839327\n2xnb,2xnb_558,10.85070353128991,190.68830788916037,847.8521515061409,896.2578308852101,896.2579542288977\n2xnb,2xnb_574,16.992169647643998,173.65062773420706,980.9269369879758,1021.7921834816583,1021.7956618362864\n2xnb,2xnb_584,13.538389524145183,204.4529876260177,895.6713076486701,953.6128846028828,953.6133805941629\n2xnb,2xnb_586,28.043935105628137,231.8666268551511,1113.0301163696972,1166.4398738291827,1166.4404907905196\n2xnb,2xnb_588,3.40046024813861,106.590389067106,822.5348511796708,869.7334998619673,869.7335978021207\n2xnb,2xnb_590,3.51348697235853,140.81533936114806,836.2924630462819,883.992078216548,883.9921196576996\n2xnb,2xnb_592,13.566234071962176,209.4882494201362,911.3560859999275,952.4524646305621,952.4533781706401\n2xnb,2xnb_593,81.47753374099568,435.0756189947399,1402.1274018894767,1470.4684883754046,1470.4688530902754\n2xnb,2xnb_596,29.505411934720627,264.39732060604854,972.4387207457189,1022.4938345283994,1022.4940905669712\n2xnb,2xnb_610,18.309285796199937,202.02358979177149,877.9729467628557,921.7278474900185,921.7281386347782\n2xnb,2xnb_627,12.11769132219631,153.53255779426814,1013.8129589367672,1070.390239019835,1070.3906755620646\n2xnb,2xnb_633,9.23694982354288,146.4037200401764,1000.957448709824,1057.017646652147,1057.0198933622664\n2xnb,2xnb_653,5.243978140038625,104.38281845534672,916.939197487525,969.0857640099096,969.0861294081949\n2xnb,2xnb_663,16.306176348440435,200.2158335721243,995.1032452845037,1062.5106536484618,1062.5112468332916\n2xnb,2xnb_674,14.270171313073757,113.59774882099806,985.0215052715861,1052.9333803815177,1052.9334855488198\n2xnb,2xnb_675,16.275185151900228,181.64036699486377,890.1975276457327,936.8917644096575,936.8933431534499\n2xnb,2xnb_69,174.34396065690592,768.886941316102,1890.2596146077108,1947.4367462450937,1947.436994559747\n2xnb,2xnb_694,18.224758091713987,172.19273553500747,1031.1502834420717,1105.4442783841741,1105.4448688286604\n2xnb,2xnb_707,12.33368300375766,225.20071218322664,884.922098634647,926.2448245124789,926.2448307519261\n2xnb,2xnb_709,197.12281701007365,790.0383263540788,1753.269804584859,1803.8173064985003,1803.8175105086427\n2xnb,2xnb_717,3.9380272916035484,106.14186674600721,807.5151873762856,851.4778033395155,851.4778240471932\n2xnb,2xnb_718,103.37219359927214,506.9065617573785,1332.59659823003,1389.0233941707352,1389.0238264850352\n2xnb,2xnb_723,20.90302652986247,159.4346336295819,1000.3095695551103,1056.4863372603304,1056.4897558476155\n2xnb,2xnb_724,71.40240323470188,352.23562500957206,1022.5950871508762,1071.0145194622335,1071.0145326301342\n2xnb,2xnb_726,9.867242278018702,126.3487057737857,931.9256213540755,991.5854450097092,991.5855112202511\n2xnb,2xnb_728,5.708384203242846,172.21145434780314,916.9391282538905,965.8815569740135,965.8828927395979\n2xnb,2xnb_729,32.29146418702947,315.09838344379773,1083.3234173053518,1121.9960776009314,1121.9964572301017\n2xnb,2xnb_73,0.7405803523536949,70.8801784473001,704.3334921394373,737.748682246808,737.7486972284274\n2xnb,2xnb_730,16.74912171501024,153.7903336121028,992.2048767447536,1039.303011639846,1039.3036874382674\n2xnb,2xnb_733,29.991406920391803,202.816181278673,968.9006649473297,1018.1387696849275,1018.1389524080442\n2xnb,2xnb_734,17.337519722521098,132.79490538235248,911.9941249644639,952.2584925576351,952.2597311735515\n2xnb,2xnb_735,3.8641392220978372,103.3368264662026,783.5930240537607,833.0838655783252,833.0839107132215\n2xnb,2xnb_737,17.547306264637644,133.13080446443604,923.5059960547806,967.5716076066929,967.5725113929007\n2xnb,2xnb_738,30.60793154948373,292.3255637545874,1095.7244895772476,1134.215518854373,1134.2205005594258\n2xnb,2xnb_751,179.95839786737886,814.601871053261,1967.1576875931669,2010.1699982621326,2010.1736992218873\n2xnb,2xnb_770,193.5189662672768,874.3660246608536,2026.4845527902432,2083.3931750166053,2083.3984194104305\n2xnb,2xnb_782,18.56625620268191,272.90888855365756,1031.38691076081,1085.3309076443097,1085.3316841158437\n2xnb,2xnb_787,32.07315828226948,220.55088756755362,996.18036134831,1048.4567298351913,1048.4568045191347\n2xnb,2xnb_795,7.570612017486316,107.53200079076252,925.8732170540704,967.2070911352101,967.2072447206489\n2xnb,2xnb_812,84.05234711990418,419.47567196281693,1213.876369685531,1265.9297140280116,1265.9308591871159\n2xnb,2xnb_818,6.950788622296722,103.56420618886123,924.1037968607075,970.9746603229238,970.9748842218698\n2xnb,2xnb_827,71.79463298964595,389.8337036808331,1193.5427214184174,1246.358237089373,1246.3587826401128\n2xnb,2xnb_833,40.79279164251735,284.44524877082506,1064.4672237053815,1126.9519650577251,1126.9606547023525\n2xnb,2xnb_841,202.68048227229573,809.3192889906375,1821.3254031745723,1868.5547429877997,1868.5551025891193\n2xnb,2xnb_846,199.79201717935487,840.3490483091971,1892.2843022954753,1940.1051571295743,1940.1059362666642\n2xnb,2xnb_855,121.66932818664372,528.7718294549699,1524.2263318595508,1577.070844576768,1577.07407779677\n2xnb,2xnb_858,171.0670122352008,766.9813741270902,1872.345586650459,1928.0534956627032,1928.060658240121\n2xnb,2xnb_896,143.76250939134835,619.2437897787894,1698.4144526130437,1760.523244882838,1760.5237650349984\n2xnb,2xnb_911,213.5145895140415,893.8372130765584,1964.3365809029067,2004.4206399890556,2004.4210099721302\n2xnb,2xnb_913,150.39080528013127,636.189101861741,1680.862631796831,1730.564179035592,1730.569821365995\n2xnb,2xnb_918,32.261491130113626,203.24585673954894,1069.5669787463653,1133.0153772633482,1133.0156181602024\n2xnb,2xnb_923,126.68434342939936,572.2305171711738,1612.6673815407964,1659.203653655354,1659.206182418986\n2xnb,2xnb_924,127.67628015009798,567.6706048102291,1625.0905383392158,1680.759459004796,1680.7595816786968\n2xnb,2xnb_934,139.72200736475088,717.6882976120294,1779.969754564422,1830.3947339222077,1830.4026624666426\n2xnb,2xnb_937,16.575478509844018,187.3523941949128,910.4953875533242,941.1945648430373,941.1945920085547\n2xnb,2xnb_939,137.0691270408213,710.8473605497468,1776.5108279321505,1825.4458920100476,1825.4524326910007\n1eby,1eby_169,10.425029349675432,204.05735275017236,1497.7779151371349,1590.491858211238,1590.4918620333892\n1eby,1eby_211,279.0098573764064,1420.3656026552474,3547.8040814177,3641.12325019902,3641.1232578849554\n1eby,1eby_217,244.12604441124756,1340.4598002878904,3526.2302552902843,3621.702034865811,3621.70208039047\n1eby,1eby_218,136.3488214391219,834.7165790291641,2652.2221322774426,2737.107853837856,2737.107870860284\n1eby,1eby_223,249.0366397313695,1368.1580087425125,3607.485494914493,3706.435260525082,3706.43526540418\n1eby,1eby_231,158.3973279620336,1006.6316947162984,2899.560543984848,2982.280435789521,2982.2804456725653\n1eby,1eby_233,170.2058075676224,1092.2400799312443,3052.0289758247613,3127.5256913684066,3127.525698791743\n1eby,1eby_237,119.88501923236143,853.8310430007396,2630.739388792415,2729.6866085468137,2729.686615184839\n1eby,1eby_238,248.88708711547156,1423.2977063866697,3699.4589233949414,3804.8512257997386,3804.8512327319977\n1eby,1eby_244,196.29110221376277,1145.8791822677686,3201.6107011169215,3286.6800397560933,3286.680050376427\n1eby,1eby_245,146.44712510441596,924.0550948244608,2784.6467841211147,2869.6992205964793,2869.699231547426\n1eby,1eby_255,104.42905217640121,722.8622503935234,2411.353295795727,2504.767408736061,2504.7674168637745\n1eby,1eby_259,38.927367099518264,458.2686466824362,2066.341963881551,2149.285026998876,2149.285034815288\n1eby,1eby_262,249.56613584758784,1450.485391999166,3783.395523233923,3872.724889960136,3872.724903254718\n1eby,1eby_265,238.42420665214888,1387.25210366087,3628.09905038076,3712.0238191778626,3712.0238502335014\n1eby,1eby_266,182.29473513210013,1066.9398090006064,3075.5025152327753,3177.5816720279304,3177.581680194987\n1eby,1eby_269,237.923775499357,1285.1895066538611,3298.7911221507975,3386.770771300166,3386.77080067603\n1eby,1eby_271,160.60820473715142,996.0787704842048,2993.196103049959,3089.130189348754,3089.1302079377347\n1eby,1eby_279,170.85899027238702,1079.4574867887986,3072.4781883585924,3170.4529737300795,3170.453014101339\n1eby,1eby_294,158.66318874874727,1020.1747396515518,3030.99084382532,3128.5058619148567,3128.5058839378185\n1eby,1eby_295,262.270917180904,1473.0026843805952,3760.3690469958246,3846.7692449837673,3846.7692574396683\n1eby,1eby_297,71.39925432637283,625.1147917076188,2153.0495649778,2229.2760027784425,2229.2760083109843\n1eby,1eby_299,241.79755698248655,1430.052858967747,3673.427664788838,3755.475926935918,3755.475935058912\n1eby,1eby_326,86.20318041499881,644.6864818837332,2260.1139950098013,2352.038320147982,2352.038326133274\n1eby,1eby_350,57.720769915292415,367.08955775573554,1799.3762940730737,1904.377920732907,1904.3779304722034\n1eby,1eby_361,256.93985475814986,1403.3994160750592,3563.9586940584304,3662.187862729045,3662.1878720485806\n1eby,1eby_3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489.1689634947452,1230.6192690154608,1256.4828154146492,1256.4828877974546\n3b27,3b27_414,10.13290428403165,112.8413903310115,665.671815398101,688.7372736530226,688.7372996795076\n3b27,3b27_417,4.053136974098356,98.86259754378798,707.570448504,745.0308673733015,745.0308906575668\n3b27,3b27_419,6.7080677517083025,101.12020632169208,659.6291071245101,696.089763792065,696.0897755249899\n3b27,3b27_423,5.33692769536708,91.35120950341974,691.7559352187577,719.0847586569134,719.0847810236475\n3b27,3b27_431,64.60528009392308,347.04276920202403,1095.1719380144914,1137.92764854273,1137.9279510252475\n3b27,3b27_433,5.513281514405496,98.62248741002217,696.0302771981751,728.6334306028401,728.6334503862907\n3b27,3b27_436,48.34211790707513,279.89249818898344,973.6510258707038,1001.6472624551756,1001.6474071780732\n3b27,3b27_439,10.641453115430537,186.2590798033651,852.7873455677868,898.0989761463164,898.0990394356658\n3b27,3b27_450,13.253631873485432,168.30471546062518,721.3412572682644,762.3328210737334,762.3328807548986\n3b27,3b27_457,7.196355416033379,102.41819072900057,660.3099435484886,698.4144994811096,698.4145068145206\n3b27,3b27_458,53.22539764018205,325.1822056364439,1065.4196813568042,1105.8839362757617,1105.8842024204332\n3b27,3b27_469,50.576647376405155,266.4860360342017,751.3147313232196,771.2631858290396,771.2632074903656\n3b27,3b27_474,12.627636389764541,117.13325012483392,596.0144669732314,616.3781261016693,616.3781392471368\n3b27,3b27_487,12.530320029137664,109.51703257872435,634.4675771841437,665.1184482129014,665.1184586591708\n3b27,3b27_488,11.92502728566975,132.25863260873055,675.6411328844285,706.2835426288408,706.2835551736955\n3b27,3b27_500,58.61753988714807,322.19397214735704,977.2285625903307,1002.5074807725993,1002.5075032428324\n3b27,3b27_505,98.06169083887634,451.3309013981052,1208.9976242826503,1239.6046181120005,1239.6047616663773\n3b27,3b27_515,60.12968195556643,314.8194066489108,945.7806924828736,970.7950381369164,970.7950624752967\n3b27,3b27_520,55.85985632955916,294.51752697603433,964.8335231503074,1003.4293311279397,1003.429491019688\n3b27,3b27_521,98.41994391645082,449.6869099277774,1162.6610532672244,1190.8162161943198,1190.8164836094954\n3b27,3b27_532,15.636501974170855,164.69138784804736,636.429568679334,660.3542901659556,660.3543385709816\n3b27,3b27_537,8.611284849825656,123.76124618495113,716.9882712182449,751.9529647171495,751.9530298723444\n3b27,3b27_538,71.90709225290922,403.85761542044884,1132.2022279681898,1166.4866280424908,1166.486985346337\n3b27,3b27_540,14.90349836799848,115.24781419501285,613.1524095576434,640.485321993712,640.4853398985881\n3b27,3b27_560,84.86337803492405,357.3823510379721,1068.2857088455837,1106.3840836394909,1106.3844800418667\n3b27,3b27_566,57.88861423905245,259.709156548924,911.0448958897933,948.826403283909,948.8268112865426\n3b27,3b27_577,3.27849377918148,85.11776536790829,533.0833390308912,561.7184843429849,561.7184975111685\n3b27,3b27_581,34.48666654969619,218.64822092698134,750.3214507400012,781.1819054185299,781.1819667274904\n3b27,3b27_587,8.030398485685074,92.66353353167692,618.0882220970736,654.8550237741259,654.8550348784636\n3b27,3b27_588,56.274528510772136,279.39495102595055,754.1860253888063,772.1907209935458,772.190883854696\n3b27,3b27_590,16.18283954986137,117.38803397025505,616.3892594105005,641.9499838225852,641.9499935686385\n3b27,3b27_591,23.379625154278333,191.75776573807755,669.8361672028211,691.8073041320187,691.8073318248759\n3b27,3b27_601,49.00594769991138,251.5764354445489,739.6001635242504,761.862564719203,761.8628081888914\n3b27,3b27_618,12.339737721978075,104.09554525195536,598.6398453963334,628.9882386933657,628.988246126229\n3b27,3b27_619,38.3236059032296,257.21646033521495,773.3045570448396,806.0364879696178,806.0365062980065\n3b27,3b27_630,8.45710812879721,91.42151148031718,627.7548209940035,657.8181190617278,657.818127016767\n3b27,3b27_634,28.281741762978804,198.35066490233504,734.1815502507868,756.2644290251476,756.2644556806987\n3b27,3b27_647,11.349919562194609,141.66417953952052,685.4923184543128,712.9573391201149,712.9573736680147\n3b27,3b27_651,10.297331659624104,146.37127710204598,691.9023726829427,716.14880147192,716.1488182016571\n3b27,3b27_658,23.191553546308636,191.22557309119176,626.97406998925,650.560212052568,650.5602709134382\n3b27,3b27_661,34.01384456533764,176.48074764673817,608.5388961459698,645.9285582200407,645.9286242340778\n3b27,3b27_665,67.99163355935916,342.43266465365076,896.4520037071927,914.1960061507715,914.1961296991462\n3b27,3b27_690,43.6918128805895,252.07214701449635,791.023538896056,815.2740293141836,815.2740688445613\n3b27,3b27_692,2.8557143887428476,46.50560879484777,412.0914123822951,440.37839008828416,440.37839557101364\n3b27,3b27_697,52.72574760689023,310.9004350138204,952.5117181480689,981.218444448088,981.2184841744393\n3b27,3b27_741,8.302804422157632,135.3553815991362,624.4597924838255,656.9756863438591,656.9757800960032\n3b27,3b27_77,7.704803909361886,129.10934733886498,568.43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3,452.7359449144317,1007.6788275008245,1014.9877571502128,1014.9877573513503\n2p15,2p15_600,38.66469060404074,374.6490692748212,936.0265564463169,941.6980622605644,941.698062518032\n2p15,2p15_645,38.21747656191033,385.8427622474391,866.8812019764636,871.7001003329968,871.7001003869823\n2p15,2p15_678,34.475970530392104,353.1473429114753,822.7043899817446,827.7602552573221,827.7602553160165\n2p15,2p15_687,49.86231372181294,445.6830369171002,983.4971600387637,990.5393987023037,990.5393987739842\n2p15,2p15_699,43.148852505125454,374.993492073353,870.8689982856002,874.879439269511,874.8794393931714\n2p15,2p15_700,45.37555109629985,450.81506672863594,1085.9229951921952,1094.499580427723,1094.499580684324\n2p15,2p15_765,32.890228357785254,391.1520374065162,863.2323024056341,869.128578837828,869.1285791076372\n2p15,2p15_801,55.672419765396356,486.30545129321985,1063.4570829528257,1071.308087301216,1071.3080876413756\n2p15,2p15_850,55.445448379080005,488.33427934899663,1066.0749628703695,1074.2679081713766,1074.2679085165778\n2p15,2p15_87,63.22309004537919,497.9603735791629,1084.4171665885533,1092.8096043307733,1092.8096045000723\n3oe5,3oe5_104,121.37915044634583,577.5508495707298,1743.5484213658297,1790.9638539402504,1790.96597642876\n3oe5,3oe5_106,23.469115325304386,218.19674184485396,1029.1987079908718,1069.9834756119371,1069.9870346534033\n3oe5,3oe5_11,19.698039466386554,210.8847989506712,914.423325820433,944.8204145136822,944.8213653920874\n3oe5,3oe5_121,72.0566763019461,366.7636884647599,1335.5709715615978,1365.6668034431875,1365.6673650054802\n3oe5,3oe5_124,66.83868652223993,361.3115475935363,1311.8351730572674,1349.8694044269998,1349.8698788471388\n3oe5,3oe5_132,107.25908342708142,551.1538123422943,1664.8374923912527,1711.972146581821,1711.9744105691507\n3oe5,3oe5_134,63.15820319491719,347.99703917949194,1212.022310761553,1241.8894186191667,1241.8900400490445\n3oe5,3oe5_145,18.15455201474037,239.5994253760654,1054.329807593461,1098.4221869580772,1098.425233866481\n3oe5,3oe5_148,72.03307004350047,427.38241689329425,1527.3337662169197,1573.5011764183928,1573.5035328315075\n3oe5,3oe5_15,100.83477105339757,516.2982664441528,1579.413273490115,1624.960907353194,1624.9631615840165\n3oe5,3oe5_156,18.89507669364988,163.24482938793898,894.2866503098891,937.1003061713932,937.1026436706585\n3oe5,3oe5_161,22.43115772801735,260.9063047603297,1158.497352429464,1198.9753840708809,1198.9771158136955\n3oe5,3oe5_162,76.33638474431478,372.26892497211594,1307.7582369582253,1348.034783664403,1348.0354290843416\n3oe5,3oe5_164,27.395449421208262,266.18350324015154,1108.0880578604458,1141.6640693576344,1141.6663187640088\n3oe5,3oe5_197,35.74320868126503,221.62714728301478,921.0630169666678,954.0202594795709,954.0220027847399\n3oe5,3oe5_198,53.25539672320536,311.60579497253485,1164.3936498851895,1205.9870369449566,1205.987430382592\n3oe5,3oe5_199,37.69895363807041,351.7814812512261,1234.9982270605483,1277.7745406369706,1277.776266896454\n3oe5,3oe5_2,8.097326916359899,156.72568974001703,851.3922598366263,892.2076414013943,892.2078194246631\n3oe5,3oe5_203,117.36965838989458,570.7756231766685,1756.0179733337015,1800.3263920402787,1800.3288485801263\n3oe5,3oe5_214,95.97751701958803,489.0742638404112,1549.3554357486414,1575.8986731343757,1575.8996584068307\n3oe5,3oe5_217,84.8300453935371,494.5176546559157,1569.4853284161334,1607.4145591143567,1607.4163007592053\n3oe5,3oe5_227,110.18982138702268,546.1433234693683,1685.5193268681428,1727.8669378002521,1727.869017891857\n3oe5,3oe5_236,131.37176942694512,595.1698689559478,1793.6337798821291,1833.5492379937814,1833.5514835564616\n3oe5,3oe5_243,58.26016640180872,390.85074511898296,1418.4180514793513,1455.9309011093023,1455.9316419664956\n3oe5,3oe5_245,110.47833889094478,493.97627455212876,1485.235226384978,1521.7764983538668,1521.7770870321542\n3oe5,3oe5_248,90.05190661772782,480.7072316955169,1482.6315807808107,1518.1312983214984,1518.1319986601948\n3oe5,3oe5_250,121.37438923390957,579.8555212572197,1721.8541372321083,1757.9201115030264,1757.9222974360862\n3oe5,3oe5_26,15.9794211388501,181.0621144815701,905.2431463156729,947.2501651027846,947.2510097517436\n3oe5,3oe5_261,122.90218177895477,564.6208314491765,1726.2927153061073,1771.4512801754647,1771.4533319201848\n3oe5,3oe5_263,66.29786446409894,370.7415626198776,1259.7266970372766,1287.495168271511,1287.497720583144\n3oe5,3oe5_266,124.58690815988714,582.0084353028672,1764.1835411262466,1800.2561362824265,1800.2582245435392\n3oe5,3oe5_274,50.40109621858783,382.344663504445,1421.0808450963743,1461.9888493707388,1461.9898525200254\n3oe5,3oe5_286,92.72754817005915,472.1105077044538,1448.7613360029477,1504.0273475658612,1504.0295588039796\n3oe5,3oe5_289,89.74065387965072,486.0126658812729,1565.4752686969132,1608.2630228990208,1608.2645059237261\n3oe5,3oe5_29,9.750436906673674,174.89404858575705,906.8868053306492,942.4568266811978,942.457551939442\n3oe5,3oe5_290,101.56380787137064,482.6310937225313,1509.5693915514403,1551.0398443210702,1551.0423591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0.5141908815716,886.3729429652327,886.4137180539667\n3dxg,3dxg_117,22.963759707766137,163.66905248657793,749.6476260835739,801.3883261991114,801.4252965204859\n3dxg,3dxg_128,23.662521846926637,161.23503198467563,746.2279149426047,789.8132762297777,789.8533550527999\n3dxg,3dxg_157,27.98412339224878,173.75129869885203,771.6942814978449,800.8346848398909,800.8687173644329\n3dxg,3dxg_159,26.67345545600461,165.93913442464904,746.015142298399,782.1845333074997,782.2136940330585\n3dxg,3dxg_196,8.689313593538389,137.551217251445,699.8591602498209,744.4160969230707,744.4495486290712\n3dxg,3dxg_197,4.4844222059337495,76.45315503937813,583.71355090793,631.7164042384707,631.7515419712955\n3dxg,3dxg_211,11.475162405936743,126.13039631321261,727.6759137540088,764.8177167150989,764.8316978413254\n3dxg,3dxg_212,24.085229585432877,178.04207465075098,722.1362310865669,748.3771808431213,748.3954986232761\n3dxg,3dxg_247,22.375426566212894,126.71907985597191,627.9391161976156,660.4072281937761,660.4179953997673\n3dxg,3dxg_310,44.56398436091215,227.64264154735486,753.0343338217634,791.2229695457252,791.2414866343429\n3dxg,3dxg_314,22.222917225253838,130.55067304690263,640.8123309989444,698.3555230448493,698.387441131185\n3dxg,3dxg_33,11.948985079506075,123.80509489758516,624.9990016848523,667.5241943622583,667.5537611558975\n3dxg,3dxg_338,22.16650474174031,162.202953796511,760.3107748134352,806.5774181680891,806.6092467302284\n3dxg,3dxg_358,40.760159963473114,215.9151148312764,733.2844524573944,767.303588924419,767.3211565505583\n3dxg,3dxg_364,29.746587222946975,130.85766326667542,672.9796019426107,734.3123805003628,734.3465919938832\n3dxg,3dxg_408,21.039523614806793,179.86806985297974,731.1901779326455,791.4234586430202,791.4542206261\n3dxg,3dxg_434,15.650218397509589,150.41831231576123,717.3193900412127,767.2778762393845,767.3060140662789\n3dxg,3dxg_436,40.2162370875482,208.7139418680502,740.4624620860145,782.2209939676085,782.2423562412754\n3dxg,3dxg_445,36.70444407911156,235.56650364767248,779.0749191299727,810.75562176425,810.7767753478074\n3dxg,3dxg_449,9.531347227802236,131.66855036645467,676.111344311311,729.2653570305729,729.2860429367493\n3dxg,3dxg_450,42.282105177220046,253.5687957017878,873.4461906558656,911.6341457407962,911.6641691778524\n3dxg,3dxg_458,46.40753816427234,254.39336557481073,857.5650287294067,899.8069759156014,899.8208198347625\n3dxg,3dxg_461,18.259633684211625,149.00378749953222,718.6445326166854,779.4559466941329,779.4783281483534\n3dxg,3dxg_463,41.36875593874564,184.09131199046232,663.4041624818814,721.373679558387,721.3969799832231\n3dxg,3dxg_464,37.32505868721614,232.45345243378966,880.6524546409943,920.841618229665,920.8751513100519\n3dxg,3dxg_465,36.2814501809192,238.8333161866168,866.3055952671882,922.8008792171951,922.8293111278125\n3dxg,3dxg_471,22.656810760864236,169.2872602998674,756.2225781089002,808.908781423152,808.9594223509905\n3dxg,3dxg_474,20.43089791516197,166.18309466740055,727.4104592601241,760.5562292460872,760.5809022433418\n3dxg,3dxg_480,17.465357977901242,175.7302500436775,759.1261382087567,817.9448302020646,817.9744714711297\n3dxg,3dxg_483,16.287668492625087,157.73611280884742,778.8289492474274,825.5112206131251,825.5467206115118\n3dxg,3dxg_484,34.113093414256596,212.5448508752181,730.633481315764,771.4784537501521,771.4989317671824\n3dxg,3dxg_485,32.40286769912358,188.26028569097969,676.5865949563255,719.1955051184998,719.2160012285608\n3dxg,3dxg_498,20.987000453265694,171.3827288229883,723.4194234543646,767.1763192282375,767.1976695163398\n3dxg,3dxg_521,20.09147503365575,152.04096071124542,744.4231779459603,783.8255319521219,783.8570858831855\n3dxg,3dxg_522,8.993652317232003,114.96346697705108,666.3437204341092,706.5691424516701,706.5946432622028\n3dxg,3dxg_524,13.23519249618616,155.5747704823991,736.2823262230985,774.3001301074613,774.3262320792826\n3dxg,3dxg_529,5.966042987669331,112.65210645348867,551.9676723757417,585.6037843529592,585.6436803191656\n3dxg,3dxg_551,8.362043249977141,105.56920932116259,572.0955241745154,623.7353345320238,623.7645679390707\n3dxg,3dxg_555,2.2399874501135955,87.44793623027316,600.4521107194636,653.4959484429569,653.5376753401712\n3dxg,3dxg_566,8.810155461566763,104.7658535341556,606.9422463648536,647.4332140760943,647.4416331636637\n3dxg,3dxg_572,4.928032518889571,92.80900361530715,571.9526497843741,627.467456477195,627.4961510030431\n3dxg,3dxg_59,38.959822863335035,219.12082154659035,783.9502382909799,825.1779466561926,825.2305191789665\n3dxg,3dxg_600,8.61948133966035,99.36199612422914,578.5652208777651,623.5468391052244,623.5662628313186\n3dxg,3dxg_609,28.17329911805109,136.77611639504852,684.4956485863166,733.281790792494,733.2891443712255\n3dxg,3dxg_612,9.356819365540915,102.66111629814334,549.751948732624,595.454550541721,595.4595792637372\n3dxg,3dxg_635,19.79671157768509,146.61970160220747,721.5604837021527,776.247093662674,776.2758602021481\n3dxg,3dxg_652,28.908372017458067,185.84048887959406,734.8142950575069,775.5502900064662,775.5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260.7318272995018,909.1005116448847,930.9681862328565,930.9696857855939\n3pxf,3pxf_513,28.851955625110936,283.7221570448681,937.514349709296,961.3542919856532,961.3555177516187\n3pxf,3pxf_537,13.82597061735474,196.53037337391316,856.9652892336832,880.6478257298371,880.6495672523239\n3pxf,3pxf_539,54.15265962248765,347.08133477971757,1109.4442507788046,1150.2467055953168,1150.2522439869851\n3pxf,3pxf_542,29.267917669589952,249.00972904252228,901.7748183913761,934.0482137130505,934.051474026725\n3pxf,3pxf_558,24.81194943520536,249.57405669360364,846.831788807719,875.4221416439805,875.4238468038832\n3pxf,3pxf_560,41.9559019244637,311.81345720561404,1049.243197402056,1092.6510939666096,1092.6541588457246\n3pxf,3pxf_569,32.59774474421053,267.0774186457263,932.1052854106299,962.2332507617463,962.2394618793093\n3pxf,3pxf_571,39.62838883441197,307.67493641556115,1060.0677854659652,1089.2420609627184,1089.2470320038378\n3pxf,3pxf_576,27.519402140760302,261.1751761026939,986.8074742086366,1025.960206707116,1025.9618880699893\n3pxf,3pxf_582,36.576586822968245,316.97260688002785,1022.0512303492748,1045.468233731881,1045.4709134647535\n3pxf,3pxf_608,48.34700272198927,339.583694997661,1060.4222463812305,1110.1639892467722,1110.169166519259\n3pxf,3pxf_612,26.892627909674832,220.9818042842738,917.0193854308521,969.3899213832353,969.3944778420674\n3pxf,3pxf_621,9.471078868131746,146.21781617585663,670.5366192065304,690.3265038872178,690.3285441806644\n3pxf,3pxf_628,26.164325142574885,249.1231796875445,884.1543452846944,924.9459296467049,924.953657913314\n3pxf,3pxf_631,46.598825785745085,334.6271557645763,1083.2224068722967,1127.4464645749786,1127.4529487406405\n3pxf,3pxf_647,17.160090191941578,212.18758162404538,837.921484195584,863.0319067877402,863.0337379615925\n3pxf,3pxf_648,33.97719281266844,270.7847362343116,932.8943073742389,965.5054042053692,965.5063808106336\n3pxf,3pxf_655,5.410443403445278,144.40911415598677,755.4255353183926,787.826034444088,787.8270605320744\n3pxf,3pxf_658,8.013313919328763,142.4241821240318,784.8181657834581,812.8771150956336,812.8793870205396\n3pxf,3pxf_659,6.370856600410362,141.9358540658242,723.4454897506889,763.2058284893615,763.2078485996083\n3pxf,3pxf_661,18.56847974385784,177.6161204405001,835.5332586354546,881.6173962636857,881.6191095287542\n3pxf,3pxf_663,41.44410296191302,320.0521972105476,1019.9226147555353,1060.8494039513816,1060.8531648002274\n3pxf,3pxf_680,40.40856709155473,298.63293777887156,1060.769371409584,1100.9132279584185,1100.9192681617117\n3pxf,3pxf_685,42.60782940836618,317.7802630376573,1016.1439557426982,1052.8327480010103,1052.838920080943\n3pxf,3pxf_686,17.951835654016197,226.34261256910824,811.3160832223934,834.6144582326594,834.6169107321851\n3pxf,3pxf_689,24.039559845422865,213.1291895977757,901.7147295987749,937.0031847048813,937.007028323296\n3pxf,3pxf_694,7.7590525932527665,128.69839312550891,681.4504915825361,705.6006495409279,705.6020950478843\n3pxf,3pxf_7,2.476217174103499,84.65778432356448,631.6842976715785,673.5928394586507,673.594584324145\n3pxf,3pxf_724,45.1554081718518,351.2028042035391,1033.6293757201145,1060.8681101903321,1060.8698602963264\n3pxf,3pxf_736,42.72923133077158,328.2529405021205,995.4886393797228,1026.299524974783,1026.3021456987035\n3pxf,3pxf_74,2.4921744662553715,103.33614930906086,645.3308134671584,682.524835124389,682.5261796806782\n3pxf,3pxf_743,49.120304162613934,356.273024102655,1083.045587956066,1114.0445634475882,1114.0482327054062\n3pxf,3pxf_761,50.639995326104085,352.06723370810755,1068.2496982328971,1105.9962543532063,1106.0004438319663\n3pxf,3pxf_766,40.46893253905717,308.99007065837094,949.4363993853208,969.5874683266545,969.5892292370644\n3pxf,3pxf_767,51.28703034353527,346.71227930925374,1068.6903520580265,1099.8949635750394,1099.8990656799606\n3pxf,3pxf_768,27.791932744594853,262.73861181924605,891.9577937616525,909.4622377859534,909.4639345852213\n3pxf,3pxf_774,12.71532359257599,138.07983270340867,653.2242312981516,701.7835685593635,701.7838855317957\n3pxf,3pxf_775,48.918574474331244,349.65575167049394,1076.5836568303027,1115.3964065310952,1115.4016471907296\n3pxf,3pxf_776,42.48963320872403,342.47220960527744,1009.5546533457199,1034.747977143933,1034.7503256455204\n3pxf,3pxf_779,26.456021605960114,227.28122606167796,768.2492841564714,794.984146162013,794.9873013472798\n3pxf,3pxf_78,3.7939029029636986,115.99659661056359,661.5391228627342,683.8471689536358,683.848410897014\n3pxf,3pxf_780,5.9326231213717024,84.19446591807132,568.3280731725105,608.1458886279557,608.1462079203858\n3pxf,3pxf_781,24.71611391272292,237.755956171623,806.1752158484646,833.1816048053756,833.1830294554885\n3pxf,3pxf_782,44.46407219231457,323.0156889912002,979.4022288448767,1013.4687308966103,1013.4713985476446\n3pxf,3pxf_783,14.486382000786973,177.63552044191877,661.6547215568675,699.5115698552974,699.5137763184312\n3pxf,3pxf_788,9.852436757120607,168.43805125177374,687.1463585937881,707.8449293121325,707.8463718227401\n3pxf,3pxf_794,13.056338143789093,170.01430401414123,805.6898874370554,837.4329120761388,837.4346479098479\n3pxf,3pxf_795,4.564311803633313,100.92933254107031,465.9385128219728,495.01952609780943,495.0216785410626\n3pxf,3pxf_796,12.772993557374258,170.19279854605767,793.7113760108026,825.8957253517341,825.8981334705156\n3pxf,3pxf_798,17.28468317252117,170.99280668202022,740.825479863915,779.7871607194076,779.787562717419\n3pxf,3pxf_810,13.654988756073747,157.12820529106583,774.1330908196293,809.6146874569604,809.6164936653948\n3pxf,3pxf_817,45.50139339453828,336.14208589724893,1023.5238241668068,1047.0550165195561,1047.0576705570354\n3pxf,3pxf_842,13.102915171378521,161.3991648332029,677.828325434464,704.1724717401404,704.1742229335302\n3pxf,3pxf_848,46.50032872496614,334.09971345875124,1071.309381116354,1104.1396743405824,1104.1437722262333\n3pxf,3pxf_922,9.249163749005259,134.79313970535873,734.0446643759648,766.8146609165088,766.8163803348308\n3pxf,3pxf_948,35.05925675007618,278.0545239635353,996.224881558672,1029.6843672780456,1029.6874285131632\n3pxf,3pxf_951,31.183839812668595,275.0856146526236,965.8354473536555,1005.881561082022,1005.882742502095\n3pxf,3pxf_972,48.56324196623809,328.62497798086264,1040.6723057535503,1068.8879899490366,1068.8903714161308\n3pxf,3pxf_973,34.45641469976356,284.61160769199915,998.1880871626406,1024.0184967566352,1024.020515554306\n4owm,4owm_109,3.0567750279124732,52.869404130352116,296.50225420030483,310.6309142548285,310.63157909951184\n4owm,4owm_114,3.5508200132413883,51.510946267741026,323.7323408702721,335.4176617227982,335.4181791999369\n4owm,4owm_135,40.720705179479765,184.6870498639229,642.8592477167779,682.6386035727443,682.6394616607919\n4owm,4owm_148,3.9062757699083885,51.75331863963317,314.96600789420734,333.9412392719976,333.9420170500199\n4owm,4owm_16,46.09849894626074,193.57149650941463,584.146027572456,607.4619971197727,607.4629411251345\n4owm,4owm_163,38.74496184726033,174.39081717536274,546.5114839204093,566.5870637402854,566.5879619879952\n4owm,4owm_215,1.815544012780504,45.111815569337864,277.7411738168762,291.39877280409473,291.3993067750944\n4owm,4owm_216,44.717594438738594,194.89316441105566,618.1853309499805,641.5415812942938,641.5431402959313\n4owm,4owm_223,49.98069903434633,200.10464553991727,643.6486370061432,666.0186089607779,666.0194836753824\n4owm,4owm_228,0.43344791372124764,39.40252688909483,300.4110995558402,315.52161474062535,315.5219998857131\n4owm,4owm_230,51.14865269330406,210.5593267074706,652.4843780812919,681.2933499810778,681.295069780566\n4owm,4owm_232,51.76433586322852,207.314847713254,654.2460918983439,685.5507341774559,685.5524167129196\n4owm,4owm_243,1.233312125405444,43.60102645743996,306.78006058830374,322.655290837452,322.6560088512496\n4owm,4owm_260,2.2032977330145647,46.94711843508738,272.9544063581854,283.4402619042871,283.4407491046691\n4owm,4owm_270,0.5943040616066749,37.832265296088394,286.1785968324804,302.24703970596255,302.2475626580579\n4owm,4owm_272,0.9528549665365234,38.73042331219799,280.99696469845503,296.6703188682903,296.67102156286694\n4owm,4owm_278,0.6438026872335852,40.535420018156344,281.2806941686766,294.6308969698159,294.63141764162344\n4owm,4owm_280,1.380213299150317,42.36984833981038,284.17262176103134,304.4633290931522,304.463912601339\n4owm,4owm_287,0.9331888828432885,40.33627378486313,271.6375082595172,287.6550916021825,287.6555161303754\n4owm,4owm_293,0.2020170844531624,36.19235147308417,310.6623746479341,327.16473870495804,327.16538542259775\n4owm,4owm_299,0.8195062671276495,44.3812917933291,280.9104379041299,296.9636375810571,296.9643973417959\n4owm,4owm_305,43.47383157788959,188.47997450077057,602.273389274739,624.427617905963,624.4296937394425\n4owm,4owm_329,1.2047560733177982,44.36991728894382,294.0213907594372,311.31680903163084,311.3174833573009\n4owm,4owm_346,0.8450125463109551,43.611458503576166,295.4966544260369,311.7612313647071,311.7618035396662\n4owm,4owm_362,48.113855730017164,202.73187067217154,682.648397121043,715.0780363973624,715.0797273568462\n4owm,4owm_366,44.85680701042317,206.1713265603605,652.0115392699522,679.261943134051,679.2633807104847\n4owm,4owm_378,46.84995843928228,193.45952918577967,631.4095870936806,661.7433417333085,661.7455704398128\n4owm,4owm_389,49.26265798023367,197.07251550286583,634.7301366355276,666.9056191341346,666.9073437656336\n4owm,4owm_392,1.1293921738806043,47.45532183168135,319.8167266774522,338.2712671888119,338.2718269080124\n4owm,4owm_397,1.4642996110450308,39.36147406069345,287.4800171507459,304.20560225325994,304.20616073170777\n4owm,4owm_407,38.50035397209717,175.6768310292307,592.819013186041,611.3735577814998,611.3748999978709\n4owm,4owm_427,31.91091121983724,169.69489164177637,624.4318332804653,638.141842344539,638.1434378038655\n4owm,4owm_430,36.61753868335102,177.75383281091342,590.4119492513032,614.4498545100536,614.4516610878817\n4owm,4owm_437,26.71441852139707,149.69051851897635,549.370285722159,580.9641116393292,580.9653951639135\n4owm,4owm_440,26.08054118995848,149.75578391769824,519.5137304628798,533.4550444059699,533.4559390662422\n4owm,4owm_455,44.47020222526155,195.91843746033902,628.3240355217895,649.6843401939177,649.6855216986894\n4owm,4owm_461,36.61789508113731,165.44550574209504,559.2772600395078,583.0879012554062,583.0892597434765\n4owm,4owm_463,28.791879235164142,132.9079705700613,489.5720553048278,507.37252602664427,507.37350488851666\n4owm,4owm_465,4.92590066668341,61.25422104066613,417.2222647013245,451.7214316860329,451.722145243986\n4owm,4owm_475,8.25467358186912,80.1200163391452,459.1027793790053,482.9903185616951,482.9907956200346\n4owm,4owm_482,2.4446793975837133,58.248131314387656,389.06208661155364,416.4012425710736,416.4018251026167\n4owm,4owm_484,4.7669271410177325,82.27802299721611,447.4822712166189,468.03780551234297,468.0389458091509\n4owm,4owm_493,14.54558893541024,87.68297196193127,368.21565797863803,389.46081700193304,389.4619573258348\n4owm,4owm_501,37.86132310080609,164.38156199373338,548.6933874711051,579.7216163227799,579.7221186252387\n4owm,4owm_506,26.101317695415357,136.68261914568382,569.2961852481596,601.2798281919272,601.2812663570143\n4owm,4owm_509,14.020749862452831,84.24297696701593,461.45908739936374,495.0617862250087,495.0620439003128\n4owm,4owm_517,14.152897461187532,93.08299206550996,375.0702845534823,403.2469986186734,403.24754623873935\n4owm,4owm_534,36.61384707220411,191.52484017582344,610.1881035487257,643.9810959382846,643.9823051870744\n4owm,4owm_542,31.00375410672645,158.91492306525106,596.160597690242,629.3550567265007,629.356142383881\n4owm,4owm_554,6.814922775109277,83.36332339069013,410.5840598697042,445.5789031253573,445.580942628606\n4owm,4owm_556,8.82940666158259,89.4925912933522,439.29936458404836,461.680713145073,461.6817433345258\n4owm,4owm_561,8.384123746380677,73.7067968426362,322.6000288901923,344.2456432619548,344.2467844130363\n4owm,4owm_571,20.64100344697555,122.76606923537769,438.61291371798205,458.4161718994753,458.41687791654374\n4owm,4owm_572,6.846896142786755,94.70660101225994,395.0858549025477,421.20952440127706,421.2103504369262\n4owm,4owm_574,6.916303557489158,87.92275079311476,399.7460237507639,423.5910247743628,423.5917745681817\n4owm,4owm_575,13.44988928402341,97.9283144872861,389.19881104593287,414.4782711329925,414.4790118441246\n4owm,4owm_576,10.185415005711558,80.8355977405514,429.8130892141262,463.26676597419197,463.26750886104804\n4owm,4owm_579,2.5406324024419185,45.57295914809888,351.10817527438,378.59698870065716,378.59725249573825\n4owm,4owm_582,14.227978339830496,91.52404063294968,408.0591696681786,433.6428250220694,433.64359379948974\n4owm,4owm_583,20.580788775888674,122.68974967092232,522.3456748751947,556.774902934417,556.7757933603183\n4owm,4owm_584,1.99031494588547,53.621370921846406,377.22181299424085,400.308211443905,400.30870542940454\n4owm,4owm_595,25.86896157538582,143.56043341135094,478.8250394961743,507.6784407958342,507.67919588859354\n4owm,4owm_619,14.50776955966858,102.20096918248865,433.0628794651308,465.83047060283326,465.8312090356165\n4owm,4owm_626,2.4360649134430687,54.51090954730863,350.4753736980151,378.0249816117811,378.0255290560341\n4owm,4owm_629,51.024605937637226,205.79792878010363,616.7636446965221,642.3873014219795,642.3890649311974\n4owm,4owm_637,36.411843019281854,144.63417179782195,492.92297321625125,520.1255902367174,520.1262444292519\n4owm,4owm_639,11.483108537665005,97.82527385926937,467.4520385627435,500.52022909550845,500.5205408882657\n4owm,4owm_648,7.9416265760561275,88.14269796118707,439.976077298458,465.00385723054217,465.00480461680866\n4owm,4owm_661,3.5113372683071202,60.521501994303186,414.60577656173604,436.20018630680045,436.200420959131\n4owm,4owm_663,8.424534316380141,70.49107630063914,346.0035986978508,357.3356269364688,357.3360735899377\n4owm,4owm_670,9.073833409621885,78.58325327606383,466.6060386718418,501.2378310993736,501.2384092040844\n4owm,4owm_671,36.164387580160756,187.05041256833925,605.2719620517153,639.989221199684,639.9902442797598\n4owm,4owm_674,4.246432861867491,70.29349742560481,414.0693438778027,432.2500512283537,432.25031773773077\n4owm,4owm_689,27.051756630189896,145.6370063390625,580.2559901815454,619.4636547911125,619.4646873058348\n4owm,4owm_695,28.181176882990012,158.0270279008112,593.7373627328724,622.4281205263344,622.4291531050532\n4owm,4owm_742,9.559581235758554,53.615217287570985,292.5032305972419,321.3328733367542,321.33359000369893\n4owm,4owm_760,4.176716978897164,64.33195592870605,313.1915280217573,348.9795079991977,348.97988778718286\n4owm,4owm_768,18.668068502499345,90.33820426843404,448.7584297700137,482.80956573441597,482.81077928343734\n4owm,4owm_774,15.247061416003241,65.12292524032776,353.5615825927038,386.53624441050835,386.5371150779292\n4owm,4owm_779,19.69503041683175,140.86083190631777,551.7381245957738,580.7048596128624,580.7068130594515\n4owm,4owm_780,8.761072818159908,88.10404662927499,401.09428587886663,441.51537522225044,441.5162119979234\n4owm,4owm_849,45.85037696096868,196.78846692036785,643.9538594076008,669.8754656799354,669.877028741671\n4owm,4owm_851,16.17294718220004,106.71751679545295,515.3396450044761,541.570176335445,541.5712972046371\n4owm,4owm_860,24.2995692289912,130.85143701970188,537.1367648271843,581.6279790030559,581.6292058340052\n4owm,4owm_872,24.792407000216475,153.40830789239132,559.5747077803188,587.6608272956557,587.6622053162946\n4owm,4owm_874,6.777805446540592,61.84002440164046,333.3757397040525,354.2257525707087,354.2262187277652\n4mgd,4mgd_1000,45.128108935972264,277.8357551089092,590.770986795646,593.4035752417755,593.4035752427534\n4mgd,4mgd_132,53.023643469482124,324.4786087576162,623.9869523349024,627.6261811377873,627.626181137951\n4mgd,4mgd_223,48.3745762484337,285.67053369815176,602.3600084392322,604.4816938720472,604.481693872189\n4mgd,4mgd_24,57.69951426662513,324.3857179517083,639.82144447138,643.2592899231255,643.2592899233849\n4mgd,4mgd_272,59.89636879346211,311.10079661769066,619.947566296422,623.0254896608506,623.0254896610968\n4mgd,4mgd_283,55.91019587380512,311.969706174474,622.9808863838722,625.7873680563233,625.7873680565224\n4mgd,4mgd_425,57.245681868109905,309.36550484886084,628.285251525866,631.3151508090408,631.3151508091543\n4mgd,4mgd_427,48.96639354086096,315.5078102382813,624.6396211570539,628.1379052191887,628.1379052192802\n4mgd,4mgd_428,56.052507581076384,312.9560324889878,621.2565002520857,624.1973895494036,624.1973895495971\n4mgd,4mgd_455,53.08247239188095,307.0796201767522,614.6643684162375,617.473390987875,617.4733909880387\n4mgd,4mgd_467,43.442891456101094,256.81500904233985,567.842646171488,572.1364294105415,572.1364294112877\n4mgd,4mgd_469,41.297051252340346,278.6864152599796,576.6336403429129,579.8485261303223,579.8485261303523\n4mgd,4mgd_520,43.266969836549364,280.9551674022284,579.0343979740298,582.4459747294634,582.445974729508\n4mgd,4mgd_568,43.891704565075166,281.2773850621491,598.0434361627049,600.6971655564757,600.6971655572823\n4mgd,4mgd_571,39.47031562944466,263.4664101710778,545.851928451735,549.1833000223988,549.1833000225319\n4mgd,4mgd_579,46.19210295094045,270.8370010976273,560.6210094755288,563.5284002332381,563.5284002335471\n4mgd,4mgd_586,42.06601730135497,279.21273865141166,599.7604757603668,602.6673169892376,602.6673169893398\n4mgd,4mgd_609,49.99939501486824,316.51110294831307,619.1787828173178,622.1174387022867,622.1174387026012\n4mgd,4mgd_660,44.7821503518777,253.58727518884584,533.4991367268259,537.3595934587718,537.3595934590809\n4mgd,4mgd_669,41.99892476003374,279.82413556579735,571.1760459125375,574.2849423654553,574.284942369316\n4mgd,4mgd_683,36.0991698309374,252.2297783505917,538.3127463658067,540.7019186127366,540.7019186174873\n4mgd,4mgd_690,48.35323240886246,262.5222649666219,569.640789434705,572.7558480902122,572.7558480902925\n4mgd,4mgd_732,48.59930469400112,287.6238571534562,579.500481375516,583.1465875546797,583.1465875549937\n4mgd,4mgd_753,40.07704184319488,236.76403220648396,502.9021719883084,505.0713535689936,505.071353570029\n4mgd,4mgd_761,39.15511558258721,256.08109570331004,530.1855236957941,533.0336392291448,533.0336392330765\n4mgd,4mgd_763,38.67907040136454,238.18007033788027,503.2900380427829,506.276534688903,506.27653469004576\n4mgd,4mgd_768,26.26906974306309,218.3110905690538,527.8687088634443,530.8280733779825,530.8280733783482\n4mgd,4mgd_772,30.900981643596126,258.35774491003747,563.1226536207718,566.231617011817,566.2316170133636\n4mgd,4mgd_779,35.426028821044866,253.36297772287668,572.5844589781019,575.7692600432742,575.7692600433205\n4mgd,4mgd_781,48.82102529827713,268.83244373552384,587.8319462169161,590.6595607264419,590.6595607266994\n4mgd,4mgd_782,19.45681987739747,205.57963503355714,483.2319750771063,485.72043451673795,485.7204345177416\n4mgd,4mgd_783,48.94244424904419,284.15609801531207,601.7171177072742,604.8507868465562,604.8507868465858\n4mgd,4mgd_784,24.62849314933938,207.02372906644425,512.3270082979068,515.1824758674134,515.1824758678338\n4mgd,4mgd_790,47.497053271061944,266.49793805033084,576.2342570079132,579.9534480807715,579.9534480810096\n4mgd,4mgd_791,21.446329762168297,205.43701747350403,476.31275969514576,479.8470502330762,479.84705023375295\n4mgd,4mgd_792,33.25726465868183,217.52965509809474,515.4884151230106,519.8983248470806,519.8983248470909\n4mgd,4mgd_793,36.01659436306063,228.17446253667387,523.9867032605137,527.7052713396077,527.7052713396126\n4mgd,4mgd_795,44.9011934910262,262.2367241368517,566.0564640727445,569.9156462403115,569.9156462403424\n4mgd,4mgd_799,49.57474657644856,257.5681688157894,566.2369355466017,569.4633637704892,569.46336377052\n4mgd,4mgd_800,17.675259689478416,174.69950632870928,453.8365682376543,456.5329458750382,456.5329458758497\n4mgd,4mgd_820,39.216076833342825,257.455414051185,567.8133802197475,572.6966057939729,572.6966057943226\n4mgd,4mgd_829,58.432403436007164,288.715768333969,590.834855313196,593.7272859591725,593.7272859594582\n4mgd,4mgd_894,36.67927802057369,255.33325574414695,547.2274839645884,550.9337004093383,550.9337004094358\n4mgd,4mgd_95,47.89743936298665,310.078694633307,620.8356511859641,623.6870635288415,623.687063528947\n4mgd,4mgd_96,54.109335626655685,319.58510641746267,637.4884863587567,640.3769576014272,640.3769576016159\n2xb8,2xb8_133,110.21109815421495,562.5011853812288,1212.5455508110829,1235.0194807899948,1235.0195441756584\n2xb8,2xb8_268,105.74546973093707,538.2573746848154,1152.951247031868,1174.3038830360765,1174.303938476312\n2xb8,2xb8_28,106.32198475611382,555.5786783831179,1188.3387198240243,1218.3087008081081,1218.3087563443053\n2xb8,2xb8_282,101.10037600440175,496.65977350841456,1067.470690846899,1084.7208056137079,1084.720859540655\n2xb8,2xb8_285,106.15763861185222,530.4569666590114,1146.7713919261478,1167.2911433413753,1167.2912035144752\n2xb8,2xb8_35,109.12555141987053,577.2631017190951,1235.291938838791,1257.3257617878362,1257.3258224899748\n2xb8,2xb8_408,17.735595390000054,202.6639072499439,702.5724125627625,733.2229138181016,733.2230225547893\n2xb8,2xb8_423,77.4664165663548,475.47430968540976,1103.2618772950664,1135.3799483269704,1135.3799754049985\n2xb8,2xb8_428,39.013212177625306,344.5680984771349,931.4063903020398,965.9563368866204,965.9565284901838\n2xb8,2xb8_433,29.366106784339923,239.9520904399357,748.8828612153844,769.7602989536383,769.7604021319962\n2xb8,2xb8_435,60.361363849086935,400.587897058157,1018.7776616150725,1049.0681548127568,1049.0682105246303\n2xb8,2xb8_436,85.84182985700086,437.86544558006756,947.6228622082357,966.9899176607379,966.9899521252569\n2xb8,2xb8_437,15.1555864756912,169.23037583422018,668.0629442787738,695.3239477386917,695.3243013493492\n2xb8,2xb8_439,76.5252880371745,416.44497813149945,966.9962155845132,993.7608756698623,993.7609309804739\n2xb8,2xb8_451,98.74780350003255,465.69825124144796,1028.6687763790212,1049.0767309932428,1049.0767677318527\n2xb8,2xb8_452,52.721732104005646,379.6252750428707,992.4002349239621,1023.6352390411001,1023.6353549302114\n2xb8,2xb8_459,34.11315221115389,338.4977073846228,915.4873034871821,945.3600561377348,945.3602689636555\n2xb8,2xb8_462,32.417933728682165,306.35484734825104,823.2130913787333,841.4585854594367,841.4587843886833\n2xb8,2xb8_464,69.81176077187368,413.2656960096045,979.5648083544612,996.266104735555,996.2661342494255\n2xb8,2xb8_465,23.74446761234962,206.4857473930094,752.9350076133117,775.6744674115971,775.6745757512822\n2xb8,2xb8_473,68.56805579131365,391.8471823837442,1046.1009850933203,1077.6327964558677,1077.6328634501997\n2xb8,2xb8_478,49.248019623601,373.4825333960036,1045.3689136158862,1083.6702055568358,1083.6702719292962\n2xb8,2xb8_481,50.991586043068935,362.9293614426136,1010.0672879667931,1033.532009175279,1033.532160378938\n2xb8,2xb8_483,61.61407351121157,416.2465748399118,977.0861057870844,1001.5905785856213,1001.5906113654022\n2xb8,2xb8_484,68.558804461461,430.49506833150144,1029.21936501244,1060.6756434115655,1060.6756928056727\n2xb8,2xb8_486,89.52600581473526,497.0832408706923,1070.7631049006616,1086.352523815354,1086.3525556093264\n2xb8,2xb8_487,43.34024417324943,348.5101672631122,947.128938161182,984.4143175226634,984.414531349267\n2xb8,2xb8_490,74.74816001798422,392.7697362658191,959.0350761796591,977.0836985749679,977.0837282339688\n2xb8,2xb8_523,18.246165651503286,247.73556329587066,884.6033253040438,920.8813116025852,920.8813962237816\n2xb8,2xb8_525,71.74555723697674,460.7256914314451,1118.2978359298402,1146.7663208935096,1146.766414418296\n2xb8,2xb8_537,74.32225203397152,430.7294348391691,1032.2045092841145,1057.3007652632286,1057.3007948458546\n2xb8,2xb8_542,47.07462177388928,353.2795029068988,1016.9199626914685,1046.1205269068003,1046.1206123320592\n2xb8,2xb8_546,13.880645470686256,147.87015454765887,777.340505746116,824.5893094103361,824.5894060429525\n2xb8,2xb8_556,17.291490090007834,218.87713957561982,812.8606728161491,855.7511390612045,855.7512256096131\n2xb8,2xb8_558,16.83439571545539,186.90058074930528,774.6985529987146,805.6258001274497,805.6259415493489\n2xb8,2xb8_560,27.652453755431047,299.37055492167013,961.6980744413629,999.9354357961039,999.9354991920504\n2xb8,2xb8_568,11.692140903144187,212.32775100218768,756.6173385369442,804.9144186384095,804.9145252062062\n2xb8,2xb8_572,8.238872902468202,127.04741567750759,751.8778539729985,798.4578259606715,798.4578865792594\n2xb8,2xb8_573,8.587104370923774,191.6896299359998,720.4379100699442,750.6005005491645,750.6006339258475\n2xb8,2xb8_574,17.456850320375693,246.24117921169835,853.1353682294892,893.6733845273693,893.6734611009056\n2xb8,2xb8_576,30.580088348867996,301.2062123399634,780.0161832987554,796.7927352724142,796.7928165463356\n2xb8,2xb8_585,20.994951004424724,275.9464555352263,889.7913520493229,925.319340918658,925.3194270673631\n2xb8,2xb8_587,52.085682610458676,332.21484519723606,924.5753440264068,959.466579494912,959.4666668441905\n2xb8,2xb8_590,12.342029169438394,140.20058259814962,729.2713599662011,769.6248938147536,769.6250478881119\n2xb8,2xb8_597,5.778130521510003,132.95428029936232,769.1400583243937,817.1055291191151,817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2,160.38764040894796,735.2731748799068,2257.6314009836856,2326.139918823754,2326.146149841433\n3utu,3utu_713,190.95001071299714,843.0193166364974,2471.331236446614,2535.8339845173587,2535.840335639511\n3utu,3utu_722,171.1578992325438,776.3131887685859,2358.6228180639714,2412.4184436899527,2412.4248726236538\n3utu,3utu_725,182.6921064030699,801.6571468639493,2416.3964637228783,2480.8651852114967,2480.874981538864\n3utu,3utu_730,174.99284712276457,780.2238192410218,2306.595369254533,2354.7059068681588,2354.715959846823\n3utu,3utu_741,158.8401279390162,735.7714478179437,2274.0992034171422,2341.083752283282,2341.0957927503678\n3utu,3utu_747,143.74917831936793,705.1861210163312,2133.6907113994694,2207.7745494574688,2207.785620067089\n3utu,3utu_75,32.3429562974676,218.4950522458986,1136.2849744677299,1183.8946662560122,1183.8972530920596\n3utu,3utu_751,172.79791056295326,769.5383260804906,2301.2565245208643,2365.2866750311514,2365.295373940019\n3utu,3utu_759,161.1870395651115,724.4406711034871,2159.0788979212575,2206.683295722105,2206.694218062978\n3utu,3utu_767,168.93975822049092,769.5995269926606,2319.6097743354453,2386.0420686859134,2386.050324667817\n3utu,3utu_775,153.34878503653368,730.1443061594039,2249.570908427767,2313.9473989716635,2313.9558968302695\n3utu,3utu_777,151.21944691842228,688.8092910182665,2114.5176466234057,2177.3205530419928,2177.325703736637\n3utu,3utu_778,163.90706164357027,746.2033513056681,2222.193368716248,2274.0319424163395,2274.041699065433\n3utu,3utu_78,12.513735976120975,189.91642068196958,1148.2377543068278,1195.1815632604903,1195.1857359423236\n3utu,3utu_781,144.56426151015586,652.3645322587462,2117.0776806541335,2167.169957794812,2167.174238937856\n3utu,3utu_785,140.76270896628736,654.8728417355123,2081.4324092363295,2143.231551335756,2143.2363788526964\n3utu,3utu_797,150.49199599124526,746.018907288266,2268.1720151122763,2332.377552158549,2332.385338533199\n3utu,3utu_805,144.9560543837481,735.7946981688339,2232.7395188141727,2300.74599516894,2300.753361727021\n3utu,3utu_84,30.323344067399148,269.2783715782791,1505.6986592694466,1550.4323565142047,1550.4333121421073\n3utu,3utu_840,29.280873561684412,298.32539474993274,1551.617271591253,1610.1028434504021,1610.1310624129999\n3utu,3utu_843,143.49629132650398,655.6992012270332,2119.972280853537,2191.0485944166267,2191.0531523235654\n3utu,3utu_844,155.1746723778822,713.2458327512837,2228.8379043579635,2301.924318076356,2301.929288702251\n3utu,3utu_86,15.264664367572024,220.6101315698897,1290.3026053379951,1345.797986964365,1345.799064889847\n3utu,3utu_94,9.152082782146985,155.14327577477374,1228.981870298467,1297.2333917396868,1297.23725436906\n3utu,3utu_963,165.87887347466383,778.5071984717844,2298.313508595109,2346.1989567918904,2346.207621319462\n3utu,3utu_978,125.71819095917506,610.3034646179598,2033.2984840475144,2086.5257698585538,2086.5311703900466\n3utu,3utu_985,65.20771123778133,402.8185624580398,1726.1660540466296,1789.7373826863688,1789.7452681241646\n3utu,3utu_994,51.841344474848164,388.72237409757463,1636.9152218080696,1684.7336108265636,1684.7424267331176\n3utu,3utu_995,54.316060141985304,395.47872139377034,1601.6520363849195,1667.87557413336,1667.882163887417\n3n7a,3n7a_36,53.90419200465132,255.29230518053777,554.1869501656715,571.7467432111764,571.7468417040502\n3n7a,3n7a_402,45.96029594834614,239.54417831564314,539.1622679930458,551.0661725728222,551.0663005743634\n3n7a,3n7a_405,53.13245897162188,257.017555595163,571.6153700007549,583.5264549522082,583.5266048704063\n3n7a,3n7a_418,28.6210127579841,188.80859543062192,412.165466318455,434.5060123216613,434.5068243200712\n3n7a,3n7a_423,39.221531616009756,214.49196503597796,490.6750092601633,514.0004984970544,514.0006926309519\n3n7a,3n7a_428,52.31218026201873,263.54688110972876,590.181794183266,607.7433423980307,607.7434159417726\n3n7a,3n7a_437,20.652221658854717,167.39152958174913,407.65302704986095,419.686841903314,419.68747161403826\n3n7a,3n7a_446,16.81627744594044,152.44923392040954,398.2226970098175,412.2809749417056,412.28123457579164\n3n7a,3n7a_459,31.157740274011292,203.11461168983132,542.155118971155,567.6750270094095,567.6752516062577\n3n7a,3n7a_488,43.940317655686975,236.1938298775352,587.7330042615322,608.1324583226938,608.1325955474272\n3n7a,3n7a_494,16.15463209506932,155.61197868925765,424.3116227185265,436.7734021715337,436.7735001516715\n3n7a,3n7a_495,44.86056667976935,267.7679769080393,616.8446039218719,627.0822800681108,627.0826153943469\n3n7a,3n7a_547,10.627977132724151,116.69540620388113,359.80598775753873,372.7208213746856,372.7213660123859\n3n7a,3n7a_548,16.33654690329497,161.5114959749659,405.4433667200742,415.7191326651457,415.71937348938894\n3n7a,3n7a_552,33.679397561116,233.05631494552378,624.3909402099204,643.3638438345297,643.3640962051339\n3n7a,3n7a_569,2.2258276193503486,88.22677286420316,333.78324603521105,348.1508919514666,348.1512069848858\n3n7a,3n7a_574,19.132994012872356,176.66583054582867,489.4701211006325,499.5646623626115,499.56575575963893\n3n7a,3n7a_579,16.92164899361659,153.73165560564584,404.57504206321477,421.297428458464,421.2977566501742\n3n7a,3n7a_582,9.558773462320644,142.18009513267387,434.91760035100526,448.9345174707636,448.9346873097631\n3n7a,3n7a_583,26.788956275140816,163.1882328232495,413.9462763911736,421.6950047036478,421.69545884103815\n3n7a,3n7a_584,15.034724039596027,155.98689626162644,434.23539543950227,459.5541023925806,459.5546752761198\n3n7a,3n7a_637,23.866613925517623,164.39811147466168,454.4080492379646,473.039619763585,473.040862997979\n3n7a,3n7a_638,11.98878003315142,130.95349355424472,398.3750093802965,418.5367697504479,418.53745652358697\n3n7a,3n7a_670,18.57774723987986,144.7012660419354,406.6711739951806,420.5458269176622,420.54599543778886\n3n7a,3n7a_7,51.718182947409026,242.296968186305,539.1937147346736,556.1973720361426,556.1974767924223\n3n7a,3n7a_734,18.40000962528411,160.55116336341862,398.94726462411495,417.1133761896486,417.11457284609935\n3n7a,3n7a_736,11.722782393972075,142.7391909760871,396.13265636955765,410.159176041351,410.1596478508171\n3n7a,3n7a_738,11.829704090806022,141.30651111967794,395.40063488456803,408.0573849521023,408.0578774085392\n3n7a,3n7a_740,10.766747709319153,143.01628127845294,395.2540858319667,408.0441660845853,408.0446551106501\n3n7a,3n7a_745,28.843065642881733,192.93418334844108,506.0127227761862,521.7443749122364,521.7460569446167\n3n7a,3n7a_747,13.817404483549891,148.58891589223128,414.94861743052917,426.32077474580643,426.3212081401114\n3n7a,3n7a_752,13.985108189804453,143.39741372410685,421.8680053737483,432.73071172077437,432.7311206921337\n3n7a,3n7a_760,27.175981292884053,188.73376052439244,481.8469083782873,498.85074344268446,498.8521964451184\n3n7a,3n7a_767,38.66053118198734,228.10792196976394,496.49262336471935,508.7582060540393,508.7584334224506\n3n7a,3n7a_768,14.226261868894582,144.6187597851822,396.9227754203865,412.91084744705915,412.9113881934949\n3n7a,3n7a_771,31.78985789523656,185.9459211816879,469.02237833611036,486.2415925757646,486.2421166913366\n3n7a,3n7a_774,29.575197205327044,172.16476039341978,416.22314957951914,425.6703919706514,425.6717580941729\n3n7a,3n7a_775,25.670250967546004,184.150333747716,453.608265189964,466.7354128275796,466.73615148213986\n3n7a,3n7a_776,23.9275638245879,161.3203083564712,448.42814517509265,462.8985401512529,462.8987987710602\n3n7a,3n7a_779,20.606968641636314,173.8908916250219,442.9077387372938,459.5430829464761,459.54344341421245\n3n7a,3n7a_781,26.399662813373126,199.38167201547097,507.5371236951006,523.1145436603018,523.1155108299929\n3n7a,3n7a_788,34.287759473415285,208.35078395495742,495.17585889970235,505.52363351042857,505.5240201030263\n3n7a,3n7a_794,19.100460026258787,176.90816358685083,460.3632753144472,476.8884058180078,476.8893861853459\n3n7a,3n7a_795,15.08615338867001,149.8640635241521,439.96722688312866,458.7798954907321,458.7801574459493\n3n7a,3n7a_797,9.456322071717034,143.2765868854427,437.58623907853485,459.62086351002284,459.62156555081475\n3n7a,3n7a_798,19.04017038208289,165.06194598475093,464.18743114282825,494.06478193659467,494.0654344333924\n3n7a,3n7a_831,58.43446186703438,262.8978033609477,599.5348466998448,612.4578263512967,612.4579232116522\n3n7a,3n7a_840,48.7638622352648,225.66956684005677,522.3335605525062,536.8236144116398,536.8237183816256\n3n7a,3n7a_897,39.04417652962598,219.20550792780415,516.2398710365237,544.3824312712758,544.3825556331192\n3n7a,3n7a_955,54.78962355806637,264.22006319299277,583.6591044087291,598.5126992935986,598.5127889665431\n3n7a,3n7a_993,34.10731699906996,221.77498514430633,598.0496435497698,621.41367604603,621.4137940342016\n4gfm,4gfm_183,5.54066586410635,116.87194425108699,639.0505802655815,669.0910997173955,669.0911569615897\n4gfm,4gfm_214,128.68645435624956,546.4122095196174,1301.4744663634522,1322.6031934836801,1322.6032187201013\n4gfm,4gfm_219,77.34050319525491,340.67357976601784,1060.856384130991,1104.3863898242619,1104.3864240444827\n4gfm,4gfm_225,130.15116038116497,573.2027875832053,1341.7440716071512,1364.5045032836929,1364.5045455264365\n4gfm,4gfm_249,124.0386816230391,539.7039892045112,1231.9905091754326,1256.3095426651835,1256.3095650875648\n4gfm,4gfm_251,117.69150572153453,537.864938530599,1256.1558792542444,1277.7634137043292,1277.7634363637264\n4gfm,4gfm_271,11.43853140495242,121.8832989408554,470.8178422843949,497.4641808357878,497.46419217867594\n4gfm,4gfm_286,118.733832774152,538.0358439724287,1265.6742629511778,1295.6480000165943,1295.6480273901643\n4gfm,4gfm_291,123.3394226782913,521.4507054176675,1266.018846140655,1291.8502865566675,1291.8503093984782\n4gfm,4gfm_373,7.437334118743081,97.6270240361604,537.9437328135429,564.1585075788721,564.1585353971495\n4gfm,4gfm_408,76.62335212614917,407.6588402431968,1111.6499474880977,1137.6194341600549,1137.6194774699347\n4gfm,4gfm_415,112.35116937223583,503.8969009075373,1261.1753092585473,1294.2134249632643,1294.2134629537736\n4gfm,4gfm_425,97.4581872428973,393.180531980981,1034.3231170596976,1080.459135840633,1080.4591594680642\n4gfm,4gfm_428,39.17167340485667,269.05370020336863,912.0419439598194,942.6455121473931,942.6455605571888\n4gfm,4gfm_433,114.12554440123083,533.1922468220848,1225.1333869544258,1249.554646530081,1249.554668678433\n4gfm,4gfm_450,8.876930342400794,129.33991645891658,784.3953652403897,828.2931088615999,828.2931747060246\n4gfm,4gfm_456,53.89337977101688,337.16502502317945,963.6014692904672,996.6428085153428,996.6428504196483\n4gfm,4gfm_466,79.82869097549029,385.0602215283481,990.0634476614274,1007.5336115961085,1007.533634428039\n4gfm,4gfm_467,7.187879010970133,115.71874945101094,776.7158559168466,822.3853381287487,822.3853581480674\n4gfm,4gfm_469,41.76063171779368,242.96275541359304,884.7692845165885,929.9403769926973,929.9403856766492\n4gfm,4gfm_477,53.17877949520404,323.10044965603146,1011.7856471827515,1060.2734875497863,1060.2735268060412\n4gfm,4gfm_487,10.102917335567218,151.7998945155203,719.9627865276159,749.6608544356014,749.6609288429933\n4gfm,4gfm_488,16.76896822026325,206.27549631831556,739.2626086586333,768.2697224301404,768.2697891076291\n4gfm,4gfm_49,61.24255640558424,360.5206848496476,1097.132446438943,1143.3966604729933,1143.3967122611907\n4gfm,4gfm_496,71.18178542018744,354.6446881630628,1045.9698182368961,1080.2294463690323,1080.229467583905\n4gfm,4gfm_506,12.759922253875828,192.76772678592047,803.4323687810955,840.1250198557509,840.1250256035117\n4gfm,4gfm_508,11.276675043489558,173.7170712241842,788.624023128939,820.3475188267328,820.3475247243439\n4gfm,4gfm_528,93.68743171170146,495.74818717347216,1224.1209207073198,1252.2113595383462,1252.211409820469\n4gfm,4gfm_553,40.655351135329425,254.2150421541817,831.4272992722538,861.6259866062743,861.626059252706\n4gfm,4gfm_558,8.013421263720188,143.2456029879179,680.7934886121892,715.2459918324871,715.2459998705428\n4gfm,4gfm_565,8.514991939966169,124.64210573515176,757.0432935548495,785.1554432018145,785.1555015275051\n4gfm,4gfm_568,5.536282455494877,90.07776416812388,756.8500532274583,795.8722835889595,795.8722921604732\n4gfm,4gfm_576,26.628407342138804,246.62462746124424,843.6011572362885,881.313032901267,881.3130928328169\n4gfm,4gfm_578,34.661882624803354,208.81321392894876,874.2154979287727,931.387185366045,931.3871989308635\n4gfm,4gfm_585,61.13951768576829,301.42553797088135,994.9832683739692,1032.5573366893423,1032.557355743066\n4gfm,4gfm_595,3.9926360800635154,90.98970596323859,752.6375820222406,785.0905399710329,785.0905692638578\n4gfm,4gfm_600,13.8383461393146,138.15016603375912,506.59744707293595,528.4619980194129,528.4620098003436\n4gfm,4gfm_604,110.17261840677162,480.3554158865818,1152.3357461633836,1179.0445356077748,1179.044554342542\n4gfm,4gfm_61,71.11345918809305,371.5760124796238,1061.3812353384178,1097.7022418872014,1097.7022578362598\n4gfm,4gfm_614,49.66715645400581,344.2579424366073,1031.4508979191676,1059.3617186856206,1059.3617367865907\n4gfm,4gfm_623,13.891460230156877,171.79656551902204,800.0167533586339,826.1271366269767,826.127173869518\n4gfm,4gfm_624,37.43429518565243,206.15771983348344,680.1642060439577,707.3405413563828,707.3405652647027\n4gfm,4gfm_649,26.6513012527279,205.81361279121174,683.4140287489587,711.1513949248248,711.1514303264273\n4gfm,4gfm_654,6.2263580337329785,117.76887472005515,698.547670895523,730.6014271520932,730.6014946165087\n4gfm,4gfm_665,8.962701047562875,141.761959623054,713.4078178980567,746.5477184414024,746.5477720300905\n4gfm,4gfm_668,42.38859038813925,193.4621094701215,722.0195837953564,764.5553013596426,764.5553650668156\n4gfm,4gfm_681,27.040303647413634,213.59143145088518,775.0923145388891,811.0497716875112,811.0497931388737\n4gfm,4gfm_685,25.757246317431647,234.19528485463124,868.7032728708416,901.0929418656443,901.0929868685432\n4gfm,4gfm_719,72.32274331177615,367.72699488268614,1060.2764890646883,1102.7147512333843,1102.7147859298873\n4gfm,4gfm_729,35.203546589932635,185.21421924089205,776.3558586647612,827.6913082199696,827.6913749187611\n4gfm,4gfm_734,15.780071741856311,156.3394640408476,647.3965369516643,677.0803850647833,677.080400167363\n4gfm,4gfm_735,50.92788875549456,329.4376465908172,928.0208061758594,961.9736388379695,961.9736624341438\n4gfm,4gfm_744,5.584492408875231,82.54794742180862,658.2766972084362,687.7040473991684,687.7040661401949\n4gfm,4gfm_745,5.02909408673143,83.28861462384639,649.349011381561,683.6827436422651,683.6827627597223\n4gfm,4gfm_749,7.789355452044999,96.87390301289798,734.3721160590735,769.5020647280269,769.5020754634968\n4gfm,4gfm_751,14.725819047257959,144.6461303776542,654.7202671677298,689.6824514776108,689.6824684916085\n4gfm,4gfm_755,5.041479774622687,87.25659523713172,695.1961657355496,734.5810941128638,734.5811059826814\n4gfm,4gfm_763,13.484451391932017,167.8501060977971,806.3461535596542,862.9771892637564,862.9772028125356\n4gfm,4gfm_768,25.615697045021065,214.9943626029823,858.4149917027767,900.161177502607,900.1611935944679\n4gfm,4gfm_769,16.61861183587482,147.3899216103532,719.1792479021981,756.4186323512388,756.4186497069871\n4gfm,4gfm_774,3.8863529871974554,90.35862339959502,728.0658937709911,786.9386432086153,786.9386517552394\n4gfm,4gfm_779,13.184776492306442,157.78675903848566,811.038077256008,877.1212354332728,877.1212671468476\n4gfm,4gfm_780,10.983477041734668,136.96122004368723,598.0512749702656,652.8960194110289,652.8960342739888\n4gfm,4gfm_782,8.238533364136972,144.72771427580452,740.4477535481348,770.7141122791785,770.7141250047864\n4gfm,4gfm_785,7.9134322532934425,107.05883847520944,661.3742420936561,698.5645358601263,698.5645487945762\n4gfm,4gfm_788,7.384459345455181,125.87147054927202,571.1284547737964,594.9416430279234,594.9416501134905\n4gfm,4gfm_789,20.64349623805274,174.16790135033048,659.5608528311143,695.8725534640727,695.8725674347294\n4gfm,4gfm_793,16.712431559335347,183.5728887087058,798.9842443416412,820.4493242808921,820.4494054451052\n4gfm,4gfm_824,11.547655924256325,160.20635651706704,616.5251310691298,630.4542584867436,630.4542659385737\n4gfm,4gfm_827,67.259063954453,278.1715813476045,932.6342243642587,967.9251690591684,967.9251805609528\n4gfm,4gfm_832,15.359452903854441,164.0105099032677,688.0673310350327,712.30631973504,712.3063451666956\n4gfm,4gfm_836,6.210381129701361,101.69169665030094,669.4255058805259,707.5748640718023,707.5748750593823\n4gfm,4gfm_842,12.573751734457344,136.11576629583985,626.3876021767629,648.1441546783539,648.1441764297779\n4gfm,4gfm_857,4.726989019789585,99.35203303543074,713.0653180500153,748.039655185885,748.0396965488254\n4gfm,4gfm_859,6.433335542826683,104.70018626503648,666.9704410206708,707.5591620894883,707.5591837550066\n4gfm,4gfm_875,3.6910953016024415,75.74606644330439,619.7106590793934,663.849751013624,663.8497625314315\n4gfm,4gfm_876,3.8372547150960243,75.13698494244211,627.5650286559047,666.6569631764819,666.6569750292764\n4gfm,4gfm_879,4.002922987347854,76.32277268917005,621.8865691878598,666.360842913312,666.3608551606357\n4gfm,4gfm_890,16.2877520015051,171.19138875575004,782.2032807379891,810.4084316995605,810.4084664156679\n4gfm,4gfm_913,112.11394374392067,551.9722711957429,1278.2957375901967,1304.7518389100237,1304.7519106235125\n4gfm,4gfm_926,87.14701861489964,445.261232326991,1128.9430509965132,1161.6748150366684,1161.674840400442\n4gfm,4gfm_992,63.315398519842525,381.8062966902822,1014.6842056131145,1041.8358647829027,1041.835921484241\n4gfm,4gfm_994,47.32603935953959,219.13043738157359,860.3247247860227,909.054332030866,909.054350814949\n3ge7,3ge7_11,19.161710893718382,213.4929939873963,1104.9892633467593,1157.9810411992532,1157.9811204710802\n3ge7,3ge7_140,226.38466484645193,895.8320269660934,2024.668651580547,2078.15555002855,2078.158278920077\n3ge7,3ge7_191,214.6493084568604,887.5793021394135,2043.2573874494926,2101.2421695867984,2101.244782495985\n3ge7,3ge7_24,223.34670624176994,862.1475649893846,1934.5464543855476,1982.7090302972535,1982.7113548315222\n3ge7,3ge7_262,224.28990754394187,869.7848040339258,2000.3989433001598,2050.299891766782,2050.3024527792822\n3ge7,3ge7_324,204.8908673433452,807.9528921983965,2022.5247588626007,2085.876426995223,2085.8773096624577\n3ge7,3ge7_404,16.204702368744588,237.26865568511474,1003.4276981446058,1034.3088026599119,1034.3092567255424\n3ge7,3ge7_411,62.60775243673701,306.60740292083796,1097.2117314278407,1139.0235582435444,1139.0235711096718\n3ge7,3ge7_415,124.83111258822188,552.3593563745015,1576.8410350159654,1634.6490682264741,1634.6504055282871\n3ge7,3ge7_424,48.80523520747991,282.10393415882453,1136.5980498805325,1171.7390635429952,1171.7412631460898\n3ge7,3ge7_426,65.75138761861838,413.94047032834465,1262.249463066876,1298.2716646124222,1298.2717727352515\n3ge7,3ge7_431,144.5193044368626,755.6752705249809,1789.133724470358,1841.463981787446,1841.4655847715699\n3ge7,3ge7_443,97.72661401166339,464.90358068766454,1342.1995465338352,1379.3124128569414,1379.3136611592465\n3ge7,3ge7_448,26.466633819311994,205.90574421281494,1035.3094673763567,1085.9340485465052,1085.9340519071932\n3ge7,3ge7_451,17.024419036296376,204.55695929085923,1047.7147298284897,1081.6733093171033,1081.6735435550154\n3ge7,3ge7_456,68.631238055559,443.5000616779071,1436.6529690722539,1478.9121472231461,1478.9141678222643\n3ge7,3ge7_460,65.54156636715715,336.31049424273533,1157.6347857369326,1197.1581275472265,1197.15816899203\n3ge7,3ge7_465,63.988796751959285,391.7693613360606,1250.844104015207,1286.7934399636567,1286.7952074789746\n3ge7,3ge7_469,41.30195142180141,303.72775651073056,1059.0074860101934,1099.7891113399583,1099.7892137494948\n3ge7,3ge7_470,69.76573654174155,404.745276300731,1308.4402468274416,1353.765000824155,1353.766423588022\n3ge7,3ge7_480,26.477638729096217,256.89505174764184,996.4727771734305,1027.8208640959376,1027.8209064044863\n3ge7,3ge7_485,125.58675262509982,567.7143811798217,1599.6443443126116,1645.1969072936624,1645.1986679677211\n3ge7,3ge7_488,98.94400957989622,434.51491118635977,1285.0351445700205,1332.510973051816,1332.5115530290757\n3ge7,3ge7_490,26.334398727223046,207.53253180709027,1195.7693500785756,1249.4873514409173,1249.4874250972468\n3ge7,3ge7_491,110.73500740549778,579.1674991627027,1535.554402629822,1574.051178944868,1574.0526260678853\n3ge7,3ge7_498,17.949796516542037,197.08190681261954,1115.046953400054,1163.2731609505865,1163.2732192667806\n3ge7,3ge7_523,9.129443126425539,177.09662466119272,1113.6150735413637,1169.9011651888845,1169.9012209196628\n3ge7,3ge7_533,31.841264006712017,280.4904176015906,1153.0304367096903,1200.975218337387,1200.9754248290924\n3ge7,3ge7_536,39.175358814348066,284.9600803751812,1210.256677216433,1258.318662785276,1258.318748210825\n3ge7,3ge7_547,59.20156187370641,334.06707778570444,1156.923328330137,1204.2617685348316,1204.2618697353869\n3ge7,3ge7_552,5.1610946614629984,181.54179845884897,1018.5425789773722,1080.7925970736785,1080.7944541676911\n3ge7,3ge7_556,4.400475590913607,175.95292457025627,1014.628281411018,1066.6626788828307,1066.6634183264396\n3ge7,3ge7_561,45.057002589122796,336.84721620031496,1321.3453666945456,1367.5993214072525,1367.5996334405297\n3ge7,3ge7_562,14.574865871719515,177.75929040247715,1132.151599637212,1189.7528236634068,1189.752929934489\n3ge7,3ge7_567,67.93936864362658,373.9934535182172,1344.8988106471013,1398.7385465089856,1398.739601147934\n3ge7,3ge7_571,3.7028020707235796,163.37416848856182,1007.2020427845989,1061.9268651290838,1061.9271684121097\n3ge7,3ge7_572,27.80797636168889,248.90399176512645,1077.3271453482187,1113.7924486035442,1113.794523913021\n3ge7,3ge7_573,31.423180273070813,256.6685675810709,1180.221891590419,1238.6556114937061,1238.655663082477\n3ge7,3ge7_574,32.10288076767087,242.74157488277186,1117.796872981245,1156.6497622195648,1156.649787445841\n3ge7,3ge7_579,99.5079200578938,449.7609582069264,1331.196896365234,1379.3409517085095,1379.3418594910177\n3ge7,3ge7_582,25.90672859392377,210.48328025980405,1096.2959910223337,1144.5777114957216,1144.5791405012312\n3ge7,3ge7_583,35.05116039397266,263.2943472890106,1224.5120708602503,1266.1012976514785,1266.1014166544828\n3ge7,3ge7_587,74.45759030554214,311.02761345718284,1206.2581292703405,1259.4908066521393,1259.4911371511732\n3ge7,3ge7_589,37.927252685159154,239.9530437293706,1141.9082592151647,1201.9460857392835,1201.9490718887178\n3ge7,3ge7_590,25.732456774412455,234.09831369397295,1181.7776942700657,1244.0969222939236,1244.0997173689552\n3ge7,3ge7_594,13.683074227650014,216.6268460235478,1126.7385797368936,1185.680722985314,1185.6830149763746\n3ge7,3ge7_598,22.683137620944333,221.485515161972,1095.0422956030827,1147.2836067548299,1147.2837776098652\n3ge7,3ge7_599,30.950184044577128,243.9378918450285,1134.827179445672,1173.5509561929514,1173.5532878014267\n3ge7,3ge7_600,16.36821379697745,173.91693576721858,1051.1616327839163,1108.9900491493124,1108.9920002156616\n3ge7,3ge7_637,49.812556753830016,333.4221641940455,1225.1331966011983,1273.6890175631718,1273.6909112530138\n3ge7,3ge7_638,62.615019425137014,350.0892225376858,1225.4080568051756,1270.284185607012,1270.2858518811188\n3ge7,3ge7_641,97.60967381545618,436.5312384624793,1361.660593191465,1397.6936822921402,1397.6979808978513\n3ge7,3ge7_644,133.16878474558413,553.1847374960437,1461.579401313557,1494.2237173832295,1494.2269193902562\n3ge7,3ge7_651,131.1361487615234,473.8013793815588,1247.6691111744537,1275.5102540665046,1275.5138369799106\n3ge7,3ge7_655,7.2704716796181375,197.72995309026885,1058.5544924734156,1098.0300949862683,1098.0309542707926\n3ge7,3ge7_658,37.29126137151015,295.86506721522187,1158.6753671895317,1194.0667501724527,1194.0674520709592\n3ge7,3ge7_659,47.12132508905713,280.0533950541226,1143.4486855131545,1178.1298977646495,1178.1320491181712\n3ge7,3ge7_666,52.66920517829439,322.56907623355795,1093.4185113158642,1134.5016363711632,1134.501668867243\n3ge7,3ge7_667,29.426430702295754,242.47996622729735,1010.3519946204027,1044.6705991986203,1044.6728420420382\n3ge7,3ge7_674,28.796082845076107,238.07835425578676,1060.1705212275192,1096.0728180528592,1096.0752803059386\n3ge7,3ge7_676,147.2013123618762,553.4447163450002,1512.885786018179,1573.8453607281429,1573.8454170833884\n3ge7,3ge7_683,121.43016634063693,436.01944867492574,1175.9424721732275,1215.5257962063167,1215.5262735030024\n3ge7,3ge7_684,104.61663221608931,402.440243490709,1086.010851230507,1121.138827390133,1121.1421988634247\n3ge7,3ge7_685,20.340683780410888,175.18488769348292,1032.4987684206308,1069.3559358416587,1069.355945058966\n3ge7,3ge7_688,79.73230931228245,395.022857063602,1265.3652889162963,1304.3941901837948,1304.3955877831218\n3ge7,3ge7_717,217.78491161623202,874.1644689707864,2017.2205437809773,2066.338795698521,2066.341566593269\n3ge7,3ge7_718,207.9760441030976,838.0465754650262,1959.6264609522818,2005.905235271253,2005.9099385182562\n3ge7,3ge7_791,202.77217054686798,831.7205992448705,2042.5843276980395,2094.4410784621114,2094.443781423165\n3ge7,3ge7_794,216.73924959339723,886.984419711548,2058.7651334140355,2111.4076404310867,2111.4100444599358\n3ge7,3ge7_795,217.62334204860542,896.7116908719366,2057.5473738586147,2116.339649749035,2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9024104,650.7656470933844,678.0477718055528,678.0483292228084\n3ozs,3ozs_10,22.940546850100738,276.3959874576947,1128.403191480086,1155.0919060367837,1155.092028849555\n3ozs,3ozs_103,38.922528460341624,345.3898492418786,1291.4143365243758,1327.209947122935,1327.2113470824015\n3ozs,3ozs_107,23.847103314265578,217.92121643062296,904.2624730857096,945.1857566151278,945.1880448129712\n3ozs,3ozs_11,112.69976742270846,594.6621913118171,1641.7909294147933,1674.134343702032,1674.136044013398\n3ozs,3ozs_110,19.111261967081102,239.93546299189944,1048.5611296967782,1079.7341905104129,1079.7343642239962\n3ozs,3ozs_113,21.67665159135607,189.41397573732152,886.704169188214,936.6932961784853,936.6956772378054\n3ozs,3ozs_120,19.070489242855405,249.30268441144347,1007.6031814838169,1039.5168363863186,1039.5169833323457\n3ozs,3ozs_123,22.15159583771503,267.3918262224854,1151.8381157105464,1186.3166270570237,1186.3183441990009\n3ozs,3ozs_130,24.155311556845554,249.728132070748,1032.1441626892758,1064.8456460976572,1064.8460499969938\n3ozs,3ozs_136,46.189874967013395,278.7964792461147,1038.285602419263,1069.4288253658615,1069.430696435863\n3ozs,3ozs_14,61.94111305652359,424.3080051102976,1392.197039644371,1430.3860950670412,1430.387561604895\n3ozs,3ozs_149,14.81050695300155,192.0634493509398,1006.7572558950285,1045.516420658237,1045.5183149243837\n3ozs,3ozs_162,23.151819974584107,254.12007223799813,1029.6980184988997,1065.476692188354,1065.4767973888652\n3ozs,3ozs_201,126.36538556890696,667.9268761836843,1832.89874562669,1873.5170889740673,1873.5185976108535\n3ozs,3ozs_221,109.29035599706914,605.5414772991895,1746.9622630474134,1790.8302565310632,1790.832028268385\n3ozs,3ozs_224,119.83960053707114,627.7680158461561,1828.6817650302205,1868.2012306181016,1868.2031521501613\n3ozs,3ozs_24,66.07699652667998,468.6857128308511,1415.6999044383342,1447.8658394290549,1447.867561821475\n3ozs,3ozs_251,124.14763903040962,645.534285861221,1731.2341931299075,1767.1891666301208,1767.1909154632497\n3ozs,3ozs_255,125.88087536151227,667.6843385242233,1861.1371754322229,1899.6584202881054,1899.6601535381396\n3ozs,3ozs_269,123.45264387571741,646.6233801100877,1727.9759044599746,1770.9951247538681,1770.996801822554\n3ozs,3ozs_273,112.84429080065081,591.1939401301524,1507.4649671996433,1542.0870627510458,1542.087130774328\n3ozs,3ozs_275,115.87168125566087,589.7885418146336,1502.0971754346713,1529.62501440777,1529.6250771739187\n3ozs,3ozs_28,84.37426307172942,499.35189374911323,1484.2834792420751,1515.4691543915153,1515.469522459419\n3ozs,3ozs_307,125.91482183627936,652.8863096399817,1780.387223249518,1821.1918029437632,1821.1940569383887\n3ozs,3ozs_318,52.549507363932115,372.858112494946,1328.2329226312527,1362.1802003845676,1362.1826628035992\n3ozs,3ozs_339,50.05375373902942,377.9915347452232,1222.8211912789561,1258.4106646955613,1258.4108997486715\n3ozs,3ozs_345,97.78420406375396,598.3661610927667,1674.9142040082586,1711.7198311620969,1711.7218665683638\n3ozs,3ozs_346,82.44805170962765,530.1516957777278,1523.1938482286225,1551.0000000329248,1551.0017326937007\n3ozs,3ozs_353,28.629563895601507,310.59653513247866,1161.860373271168,1198.449004311261,1198.4492694265443\n3ozs,3ozs_373,117.92305153049283,649.1787966964888,1703.5667021308943,1741.3547041309,1741.3561711951818\n3ozs,3ozs_379,16.268857074528615,243.3332995474958,1032.9223655349292,1059.5283377367475,1059.5289713172572\n3ozs,3ozs_389,83.266619289366,553.8113928286419,1592.155144685583,1633.1667232190628,1633.1688829368823\n3ozs,3ozs_406,84.7299183687724,528.6484857066649,1490.8959617704472,1531.8674933397267,1531.8681057634594\n3ozs,3ozs_413,100.73267353327611,526.509146891345,1420.4036132216017,1445.6210169046985,1445.6216211960882\n3ozs,3ozs_417,78.98098331426279,463.14429110311494,1376.1871783321453,1421.5494289857213,1421.5505508493325\n3ozs,3ozs_430,80.96935474273977,489.615703219283,1426.267485356725,1454.9504517759756,1454.9507331218995\n3ozs,3ozs_431,62.99983795805307,463.56050140614144,1404.1203397827946,1435.5334246864295,1435.5349180362957\n3ozs,3ozs_432,83.49713912812929,544.0986868481795,1513.643537068049,1552.7123368955586,1552.7136884055217\n3ozs,3ozs_439,114.0796534849726,631.5817263537394,1722.9025045332976,1759.5258968090545,1759.5273862630615\n3ozs,3ozs_44,114.71279575015839,633.0253917848962,1735.1253776080255,1770.9580874141861,1770.9601038835663\n3ozs,3ozs_442,24.554907008658258,279.3090653119541,1256.4561961715203,1289.872758967038,1289.872987840287\n3ozs,3ozs_443,65.2498853944885,463.96491433452536,1413.0689805170125,1451.1415469512115,1451.1422389411123\n3ozs,3ozs_446,73.60640589282956,442.8797533414723,1487.3889208738647,1522.710301516829,1522.7107331035174\n3ozs,3ozs_451,79.37751370604921,467.403186890836,1360.684283414776,1391.830903846322,1391.832844949753\n3ozs,3ozs_46,32.147690982983654,303.94548096158,1165.4667544608499,1203.2861233262558,1203.2864741512537\n3ozs,3ozs_465,66.02375520053086,452.3909735187092,1394.0996572852087,1420.71338691531,1420.7139039875333\n3ozs,3ozs_478,104.71644305733675,631.064072206092,1728.1636146888177,1765.078856001185,1765.079964011735\n3ozs,3ozs_479,81.66572851166639,453.47510635744396,1502.8197669486651,1544.5899972346017,1544.5918188589114\n3ozs,3ozs_48,28.572914061533687,268.4254636118715,1093.5436404953407,1127.5859975939975,1127.5864521558342\n3ozs,3ozs_480,49.02335871806695,376.38451865722953,1325.889969696824,1354.6289496857642,1354.6292332671428\n3ozs,3ozs_484,26.417989495735785,288.98287390031413,1275.5338921447,1318.6969373568413,1318.6972076191419\n3ozs,3ozs_487,68.01241365491876,448.2367027940532,1418.6935866666267,1456.7374595966223,1456.738991511677\n3ozs,3ozs_494,77.08586988019547,539.632059626034,1621.2447063631291,1657.3380401513452,1657.3389084973996\n3ozs,3ozs_496,34.67203990693433,361.35617334013506,1336.0780854850884,1369.1808670446637,1369.1821332612421\n3ozs,3ozs_505,57.79060523445072,378.5246641989115,1346.552749365657,1403.3985514966814,1403.400420718806\n3ozs,3ozs_517,73.6620161582786,527.5355011696988,1658.176082427977,1699.5021550119309,1699.5048676888898\n3ozs,3ozs_529,78.41352564580792,495.30846844442897,1547.5839052440786,1587.4107305619002,1587.412994237703\n3ozs,3ozs_531,13.871331754794161,237.14145331533467,1053.9657444659872,1090.3586587603124,1090.3589979790852\n3ozs,3ozs_536,45.2688925631358,397.06327975801815,1374.429694731137,1418.4366460096091,1418.4389330895856\n3ozs,3ozs_537,32.88922386118713,280.09149631315677,1180.4089387204087,1224.0824758997815,1224.0835614289142\n3ozs,3ozs_542,42.57354910856398,327.8924640756589,1303.609839297488,1340.9283299957049,1340.9294870838808\n3ozs,3ozs_546,31.778701364688672,292.51493141389204,1268.421979761206,1305.178183922654,1305.1802636399784\n3ozs,3ozs_550,28.70302069318783,295.06671722935033,1127.5649631291772,1170.8189650811967,1170.8194272632732\n3ozs,3ozs_554,49.31513256033744,373.67809384443717,1270.3172639524478,1299.0806068095194,1299.0807125564495\n3ozs,3ozs_558,30.91354779038127,268.44894766405076,1123.6188650031174,1162.587109163536,1162.5887500371887\n3ozs,3ozs_559,40.726833256866776,320.7794394306542,1149.6229388386814,1184.6519532211341,1184.6525092190875\n3ozs,3ozs_560,52.56215662246865,400.5855446376183,1357.3444009641228,1403.7203733369067,1403.7209794946195\n3ozs,3ozs_567,29.355826625146022,286.58755562615767,1165.1075839588327,1206.7436523783774,1206.7438513429859\n3ozs,3ozs_574,10.153191466722726,180.3952012289895,905.790185319583,941.6920071322023,941.6923612870141\n3ozs,3ozs_575,68.37635807960207,435.97516339404154,1311.9435069486688,1346.8285819741166,1346.8288642317912\n3ozs,3ozs_585,72.39492088464569,432.37384041964225,1347.445846764006,1376.971876837726,1376.9723091954243\n3ozs,3ozs_586,11.395925514103759,159.7296004057245,1005.4701059828319,1061.02551115767,1061.02654835103\n3ozs,3ozs_593,44.32482414818878,357.0120366251736,1224.055486575806,1252.8250061778137,1252.8252580474875\n3ozs,3ozs_596,44.58142657244184,347.7117377783507,1191.3674806162846,1234.9621574665816,1234.9626249592682\n3ozs,3ozs_6,117.5074027896102,623.6011400083573,1687.7526026945575,1724.5304632175037,1724.532251476139\n3ozs,3ozs_60,51.92162189499202,393.3242417156767,1443.6891441736657,1491.7767744074074,1491.779800188978\n3ozs,3ozs_611,36.272336952119836,308.81636695030886,1230.3731485346723,1267.670313709876,1267.6718545758984\n3ozs,3ozs_63,53.07389993284826,380.0166286018971,1219.4617666433464,1249.2450760463764,1249.246275469881\n3ozs,3ozs_646,24.896302535162967,277.8458791020116,1113.0997983746004,1150.5306164621086,1150.5312556643141\n3ozs,3ozs_649,35.69644775428329,271.32961594907283,1083.238992059165,1116.9053316696268,1116.9061809681398\n3ozs,3ozs_656,64.61646638424637,450.921996232332,1385.383763471548,1415.8673644817968,1415.8681362109337\n3ozs,3ozs_659,29.92309893151134,287.0259441255696,1136.8885295085934,1179.7331302951975,1179.7336508251722\n3ozs,3ozs_664,72.87338112228994,498.8018387034091,1611.2934644544841,1661.5800923224795,1661.5822682574073\n3ozs,3ozs_666,46.12954095323937,396.18296889505785,1325.456034416154,1370.0126814742575,1370.014358845581\n3ozs,3ozs_682,25.58167399940167,319.43267041346184,1125.0211532091485,1152.527063414301,1152.5275999982516\n3ozs,3ozs_72,97.33110076989861,553.8994536053629,1578.4280188789642,1620.5036749356777,1620.5057719144224\n3ozs,3ozs_756,50.204776271511335,350.20492123092646,1319.2118126325622,1369.2410008237707,1369.2426434018575\n3ozs,3ozs_758,70.30002525319887,493.83907067724306,1506.7423308958375,1537.044101983367,1537.0454110476242\n3ozs,3ozs_761,86.50780132408042,511.25896099541785,1501.4354111342864,1536.6989689754448,1536.7006087818706\n3ozs,3ozs_764,51.505007295794194,389.00938155978577,1295.4702369069394,1329.845276398814,1329.8466632540053\n3ozs,3ozs_768,44.60861833965787,292.47262306098304,1213.3117527092986,1271.476505676406,1271.479026605978\n3ozs,3ozs_778,57.52003557206517,407.2695996466203,1330.1244555632552,1369.7417840106452,1369.7424264555837\n3ozs,3ozs_821,27.928082655422497,274.90143129599494,1194.9921523761616,1234.437945025242,1234.440754078642\n3ozs,3ozs_83,108.22136569427619,601.300202321878,1671.8067813183477,1710.1666597773915,1710.1683956836043\n3ozs,3ozs_842,78.47854947859598,430.2553455670503,1338.1189194014808,1372.8797293428422,1372.8798265164992\n3ozs,3ozs_854,63.362743658012995,477.8690997059986,1462.6561006465179,1497.0449428430893,1497.0455012697305\n3ozs,3ozs_870,15.211722079608425,201.284337502952,1036.001184278624,1069.715386791155,1069.7162770915943\n3ozs,3ozs_882,24.85252863554449,271.84777225566694,1094.7933166321925,1118.4766388321307,1118.47842385923\n3ozs,3ozs_899,94.97928763384279,544.0447426546846,1561.9042642499376,1594.2968171640618,1594.2984607896353\n3ozs,3ozs_91,26.596713651630605,269.9311216958938,1085.5355845023405,1118.8070721879872,1118.807307166229\n3bv9,3bv9_118,19.816185961747312,197.51108125783009,1028.6782241553133,1085.7244078906335,1085.727523430927\n3bv9,3bv9_119,11.93048543161945,185.83019690411746,1324.7417142010352,1379.2273417514732,1379.2296901346092\n3bv9,3bv9_120,79.12980530401317,522.8176684238298,1720.4564697031396,1764.07046430028,1764.0731550239614\n3bv9,3bv9_124,87.3635139599563,589.028259238436,1929.394879326428,1980.5018922555707,1980.5041347566053\n3bv9,3bv9_13,43.22637437484336,416.79920852815,1675.3560958838796,1734.1757906105966,1734.1777607248428\n3bv9,3bv9_133,16.592856058506538,283.5493810118391,1579.51203046122,1666.430081174395,1666.4335421774654\n3bv9,3bv9_134,22.581623940429232,220.04462958298063,1135.977797643936,1185.9340981712244,1185.9350883285456\n3bv9,3bv9_137,81.02411399696253,566.8154097630212,1881.9955000073712,1939.001595311168,1939.0043561245907\n3bv9,3bv9_141,18.7942517609551,202.3573025683278,1225.2829138293503,1288.5800209074912,1288.5819584824844\n3bv9,3bv9_148,32.6035562404639,277.7526089818976,1367.4854941344317,1438.6109082261512,1438.612252782549\n3bv9,3bv9_15,24.31881105883235,260.3317658599902,1402.5784295381955,1467.7501634722948,1467.7540098538102\n3bv9,3bv9_156,13.248963329036803,162.30322961502685,1114.1906897866925,1178.2167750801075,1178.218849345477\n3bv9,3bv9_166,4.293277874875962,180.47733346162187,1218.1465736475407,1272.4998890331658,1272.5008108119978\n3bv9,3bv9_167,21.274163756818798,261.7077158904839,1295.9526480839463,1357.9274509025545,1357.9279715092948\n3bv9,3bv9_190,28.13717991541197,226.5719473784105,1260.4781185097547,1340.3196961089873,1340.3198185672422\n3bv9,3bv9_195,92.22888026459445,597.8545544952214,1871.8093064553127,1921.650349259435,1921.652391147333\n3bv9,3bv9_204,52.45863088295114,418.7067670689822,1578.2898620000137,1631.1845602184424,1631.1869351590765\n3bv9,3bv9_227,11.697855288242069,225.76207397876934,1542.6697586828875,1598.102852390111,1598.1029687942503\n3bv9,3bv9_231,9.013316794193155,167.19450657193633,1298.2491963972814,1398.578837180908,1398.5822406698476\n3bv9,3bv9_233,31.971665317687464,329.2678990245005,1564.1176938477836,1632.9470144361471,1632.9478612202201\n3bv9,3bv9_239,11.249664260017555,212.42761179493533,1528.1279705522222,1601.1255504348933,1601.1259568674657\n3bv9,3bv9_240,28.860660969757745,362.05600080926376,1685.5586264372303,1752.6014875524031,1752.6039483475658\n3bv9,3bv9_244,29.932553352449016,322.3075118402414,1599.7778933572433,1670.9000796865148,1670.9011002803634\n3bv9,3bv9_25,12.656791205214098,213.1053749723396,1193.2252140294338,1236.0848261631916,1236.0864196854857\n3bv9,3bv9_264,20.030645475389797,287.38359297104756,1531.6856412584543,1605.228710585069,1605.2292409212378\n3bv9,3bv9_271,34.1892222290065,400.87304857910055,1642.4087398106892,1708.7597953031764,1708.7603197729543\n3bv9,3bv9_277,40.3960340370496,350.5247791854855,1584.4569184031898,1651.1629926880137,1651.1635555290998\n3bv9,3bv9_279,10.468384661397213,218.5422028432635,1443.6342665977081,1512.0504482137637,1512.0508235048192\n3bv9,3bv9_298,68.24738189840188,502.57512307920877,1801.8760072554167,1860.453742994382,1860.4544932882359\n3bv9,3bv9_308,89.78411851336317,576.4199744404585,1829.5259760265913,1883.680131895207,1883.6818811276744\n3bv9,3bv9_317,92.28127508509226,538.8948137375255,1778.31862861212,1821.397567769234,1821.3994513469238\n3bv9,3bv9_324,13.983797117299723,162.39052098257346,1128.6473325143015,1193.7118733483203,1193.7142925926742\n3bv9,3bv9_325,94.92337932662676,595.3086743559728,1903.4084016767965,1943.648200714375,1943.6501141264089\n3bv9,3bv9_326,35.796347325288885,347.6360163797854,1510.1948963812963,1576.5116283760765,1576.5135671580513\n3bv9,3bv9_332,86.13338768502443,502.3822003423457,1807.5250496215012,1857.275443589079,1857.2779534379058\n3bv9,3bv9_339,68.82302025182474,538.5827864502767,1806.141988541798,1863.9595304617706,1863.960264153645\n3bv9,3bv9_345,97.80284794890555,547.9759176241039,1819.0712242299733,1876.8781090808222,1876.8812651288567\n3bv9,3bv9_35,82.99296426266626,564.8281527212715,1895.1381940012939,1957.271063399447,1957.273165878375\n3bv9,3bv9_353,86.52325503491471,574.7006977076015,1856.811227503806,1910.2166035990113,1910.2187103900194\n3bv9,3bv9_370,19.141344827850503,290.7219783065254,1487.8879085050128,1564.5937914196822,1564.5981378371648\n3bv9,3bv9_384,15.662312658037282,209.95204576097902,1312.434353453734,1385.5033725215296,1385.5036078509959\n3bv9,3bv9_388,88.12839271089605,552.0407408061458,1763.1130149202118,1816.0951835859098,1816.0972016039993\n3bv9,3bv9_392,54.69813768900673,440.5716085538034,1591.512576457651,1630.8974484388611,1630.9001052876647\n3bv9,3bv9_393,34.69661037158002,256.66255540943104,1444.0154666275268,1518.9092169368491,1518.9112931953573\n3bv9,3bv9_40,81.97287152233126,487.62658884176227,1684.645985117486,1736.6440439728037,1736.6464905236107\n3bv9,3bv9_441,28.923989936294486,343.14324325012996,1671.9480456850933,1730.009029955243,1730.0105446129533\n3bv9,3bv9_444,61.66721763176528,437.4038812360757,1578.9704188115456,1630.031862431431,1630.0335966518965\n3bv9,3bv9_456,12.592107861890025,232.81362965432277,1228.093963274815,1277.6325056099568,1277.6333136584549\n3bv9,3bv9_460,33.11367467095217,324.1405154541879,1600.2402907059359,1674.0169420947823,1674.0173574043026\n3bv9,3bv9_50,70.12630839473952,451.0889220835165,1700.385541831213,1749.8092609115938,1749.811221938343\n3bv9,3bv9_53,15.776593664501782,200.34138309595585,1185.096866217258,1233.0101153650403,1233.0108757467617\n3bv9,3bv9_533,19.34857575725349,281.88672044371935,1399.345849754527,1448.6508298265899,1448.6517787140183\n3bv9,3bv9_550,8.694849941465804,175.00420055731524,1195.6915126694341,1253.1956582686616,1253.1965703170356\n3bv9,3bv9_582,14.455123497951517,258.9998232692179,1417.5214773579046,1481.904994921379,1481.9085264574182\n3bv9,3bv9_589,27.249333256313076,311.80994429549946,1519.5322167516333,1560.11662120449,1560.1178337823578\n3bv9,3bv9_597,22.974622425616435,286.25079485885965,1378.0483669742669,1438.3645714820912,1438.3661813873705\n3bv9,3bv9_618,16.664419226590194,247.44552188313136,1521.2504625531967,1593.1532649762883,1593.1551272416405\n3bv9,3bv9_667,36.346601619141616,379.51833126514055,1739.0055837688587,1808.7825457192846,1808.7852272871644\n3bv9,3bv9_684,16.760602305154556,263.1873286216069,1361.9955578881468,1415.5793713484215,1415.5799223546937\n3bv9,3bv9_688,9.273640384229212,164.98271848634727,1288.94235449774,1370.9074952217122,1370.907752882389\n3bv9,3bv9_693,20.674961632746676,279.9538820481892,1486.8732660823086,1548.6134649307958,1548.6144530848278\n3bv9,3bv9_71,90.09223838595611,593.0586873975052,1886.7585431467207,1932.0651079216923,1932.0675624052321\n3bv9,3bv9_743,54.98561875989104,400.1406847107993,1617.5352487367643,1674.9708417379495,1674.9711076416247\n3bv9,3bv9_751,68.98508912290643,492.5462827053959,1688.858086129269,1735.1688485619723,1735.1713057763016\n3bv9,3bv9_752,65.85965498828283,448.7797455152406,1714.449474731627,1768.8822218307782,1768.8825635265562\n3bv9,3bv9_754,54.03869725476745,361.7706883588232,1613.828971026563,1694.5477902683895,1694.548255016948\n3bv9,3bv9_756,53.32551757623936,381.07973580865905,1593.287428522834,1657.4045334315892,1657.404914686212\n3bv9,3bv9_757,54.22106962943761,400.68359597142575,1593.7170583126733,1644.709825293467,1644.71017110713\n3bv9,3bv9_762,71.49921141678087,480.45275065407316,1675.1840315853149,1740.7383091365346,1740.741274360385\n3bv9,3bv9_767,54.051058344038964,398.9616470752491,1584.5816479870427,1647.4914290231027,1647.4922328486923\n3bv9,3bv9_770,54.195514805983095,433.76388930977873,1710.7067344200225,1782.3336465691395,1782.3355267102518\n3bv9,3bv9_771,54.29627612331555,371.4921909475298,1686.758893873395,1760.7600898774617,1760.760664534199\n3bv9,3bv9_779,21.621959372339898,312.8921567929466,1546.4155880097371,1628.4020014952896,1628.4062970050493\n3bv9,3bv9_780,7.5152550425772855,203.82237308126355,1348.6944600221352,1425.9932180985875,1425.9948218873653\n3bv9,3bv9_783,20.770814307705926,241.15890546573993,1370.1408600269015,1441.15348836865,1441.1545709541651\n3bv9,3bv9_784,25.141328731364244,318.13285626859664,1503.9529887072204,1549.6514689706812,1549.6523189172192\n3bv9,3bv9_787,7.838544667458507,159.92676675129908,1320.0674825995402,1399.8319890756134,1399.8329546964487\n3bv9,3bv9_788,24.990363043426875,287.5345173446794,1548.4609790789054,1617.806096084419,1617.8076021803802\n3bv9,3bv9_804,71.54953202118635,453.91877693038714,1650.1276515232234,1702.8255709293217,1702.8260729352571\n3bv9,3bv9_812,70.09864637028853,497.85346488287223,1823.6421770220734,1874.5559420171223,1874.556223858785\n3bv9,3bv9_836,27.585888271264082,300.5772479244709,1571.1113341889202,1637.3289772229211,1637.329382178195\n3bv9,3bv9_851,42.889607405034475,382.12423949023645,1819.0533640495182,1892.7125286928456,1892.7127769481006\n3bv9,3bv9_865,56.948723550504795,448.54447847160486,1655.8189947234664,1737.4472975272754,1737.447775519552\n3bv9,3bv9_88,14.75770199095206,225.6639209385926,1271.9225015870252,1344.2178454821199,1344.2182930486786\n3bv9,3bv9_888,25.709665917650305,298.4727167900671,1495.0047137373854,1552.559656728682,1552.560073027964\n3bv9,3bv9_92,70.97792876376984,539.73725810246,1873.2608573980722,1920.819933498685,1920.8227847595026\n3bv9,3bv9_949,36.41739361867362,382.75582829561256,1595.6022040848359,1653.6515705636746,1653.6530009464393\n3bv9,3bv9_951,16.092996586574998,292.9176424919834,1567.4331111529,1625.5910176240511,1625.592385035184\n3bv9,3bv9_954,66.3506096504635,503.08116413217493,1759.7151103403248,1815.3803774833516,1815.381973983498\n3bv9,3bv9_968,55.33647673103148,483.311036908118,1812.1943321781073,1885.163517243732,1885.1639081710757\n3bv9,3bv9_971,57.339698333523025,483.2293131775915,1781.5634472984948,1834.6434634648742,1834.6438239935144\n3bv9,3bv9_976,39.6381349621599,382.12471061784225,1592.2152057242354,1664.4822598180313,1664.483080252875\n3bv9,3bv9_98,43.34470009260016,382.8150447224526,1580.793656822594,1645.2516853354716,1645.2548777828179\n3bv9,3bv9_987,37.32288698886963,325.852407089327,1424.6323160436657,1476.3832917486582,1476.3835394974176\n4w9h,4w9h_100,33.93832343236114,230.5686748571141,921.6370713010969,947.4654553512432,947.4655192833761\n4w9h,4w9h_119,62.38889981989793,365.235502557743,1235.259519564438,1266.4431736875451,1266.443202525322\n4w9h,4w9h_124,56.52964792693997,264.63313343922937,1011.8644530616339,1036.769151857914,1036.7691765242016\n4w9h,4w9h_135,73.0614158674903,373.239768783848,1216.3055770809817,1246.69393211268,1246.6939510817404\n4w9h,4w9h_143,71.98002478273055,381.0556063199469,1254.9855624655117,1286.0802098282384,1286.0802185733137\n4w9h,4w9h_158,73.28226242984425,372.2982192563473,1191.5262258029015,1219.4110264403516,1219.411030554515\n4w9h,4w9h_166,53.38392752213378,322.4190729675328,1054.836862343846,1073.3980411358211,1073.3980524016247\n4w9h,4w9h_182,59.11517206613201,283.0067103735668,994.5657415205402,1026.0079780824499,1026.0079861999097\n4w9h,4w9h_204,78.30093804875028,383.85392906868117,1274.9122638195975,1301.5570064782835,1301.5570247561452\n4w9h,4w9h_210,73.30507519645009,379.7718217484055,1250.639995639552,1287.0683519214547,1287.068381243758\n4w9h,4w9h_241,78.66438036548207,402.0665335755882,1268.9467195342468,1305.2731291123398,1305.2731421393426\n4w9h,4w9h_307,89.9290254126852,434.4930582404674,1344.3067218725328,1378.4729956927413,1378.4730144475686\n4w9h,4w9h_326,85.83040671434343,423.6897217023889,1317.0114914246087,1349.9220421935065,1349.9220600908968\n4w9h,4w9h_327,12.483536121690857,177.10277429245534,974.1967181071624,1019.9431434510606,1019.9439595345773\n4w9h,4w9h_336,61.60598791735566,362.31266408050016,1181.9518116280472,1211.7210396571986,1211.721045597426\n4w9h,4w9h_365,22.972372105543425,229.55603959990063,915.3173741511583,945.9730672656577,945.9730726906221\n4w9h,4w9h_368,93.58767516150759,458.75755292370707,1388.186723745307,1419.6045785957922,1419.6045969631857\n4w9h,4w9h_391,43.3673215497583,299.9543527826691,1151.64458179644,1187.300176362293,1187.300645625736\n4w9h,4w9h_392,9.383655258432745,156.08209107193846,915.4769811605107,959.7690348221934,959.7691655063227\n4w9h,4w9h_402,48.9115918207023,311.02549376595294,1133.7532931912053,1163.3836711887475,1163.3836949895408\n4w9h,4w9h_403,46.28065920476998,340.9998534571732,1169.3099474853743,1202.023000903509,1202.0230110087848\n4w9h,4w9h_404,51.89133748928815,339.8040848674869,1190.9018632840896,1224.069763100022,1224.0697932691214\n4w9h,4w9h_408,57.55349319381559,304.6200885209997,1075.1595031692636,1112.5742700561775,1112.5744780660998\n4w9h,4w9h_410,33.17942680753702,264.26761021776053,1078.6916924010038,1112.3080254126583,1112.308038212567\n4w9h,4w9h_413,39.382939007880644,274.256992847012,1111.3447068884775,1143.7990708878815,1143.7990827836957\n4w9h,4w9h_416,66.07161031540538,409.4267821366461,1255.4511542733833,1285.141560491032,1285.1415702616691\n4w9h,4w9h_429,23.22563064400898,227.2603733074276,1078.6555812939544,1121.3112744717132,1121.3113636916787\n4w9h,4w9h_434,43.21533464874021,310.0299769699462,1160.9605748836193,1203.6012623830463,1203.6012753269324\n4w9h,4w9h_435,16.436568167369142,195.36484062472687,990.2858957809078,1033.6459733862223,1033.646991576848\n4w9h,4w9h_436,9.892873866967454,155.021189052495,839.4092931122485,871.841325279351,871.8413793971724\n4w9h,4w9h_446,25.936100394034273,231.59688538769632,1006.448897716278,1042.1302459379356,1042.1307747076144\n4w9h,4w9h_447,28.947390234885475,249.26486606200822,973.8076263848122,998.3622714241843,998.3623485184021\n4w9h,4w9h_449,13.431663735925547,169.2395727268568,915.5787905722771,954.3283342549532,954.3283946616814\n4w9h,4w9h_456,21.613445236117443,225.91109990630747,1026.6250137608904,1063.5636954190306,1063.5668070672514\n4w9h,4w9h_462,19.05006301338551,193.05031075304262,979.6398206877724,1006.0722081202708,1006.0722501556737\n4w9h,4w9h_464,18.610729396513378,213.14118556178317,926.8008341762029,961.0348751030738,961.0365852900326\n4w9h,4w9h_469,19.959737329707586,211.31736864723882,965.6040442881693,986.1346295162984,986.1355571757277\n4w9h,4w9h_474,12.584961332937475,179.1333982828114,884.9991108318557,916.2974837688334,916.297565260094\n4w9h,4w9h_481,37.32781127803148,287.831943907884,1144.1147843165293,1184.5030001242235,1184.5035879445961\n4w9h,4w9h_484,42.70873330858969,296.1815630252552,1106.7286017629533,1138.8827262557131,1138.8827362507527\n4w9h,4w9h_485,33.19443797767957,242.77000263135844,1085.836808013587,1124.5424673586465,1124.5424740109381\n4w9h,4w9h_493,8.8838250034408,143.39663265388216,798.0795057168153,831.7406798857191,831.7413603565404\n4w9h,4w9h_495,45.17254840611751,340.60938648002355,1199.6254795382636,1227.7938338500846,1227.7940589815257\n4w9h,4w9h_498,46.870289510378,316.5081426528334,1159.0586053150269,1197.2498350172912,1197.249842544023\n4w9h,4w9h_499,38.14555498410953,300.1357541519086,1126.866941726685,1167.139984294291,1167.1399957121166\n4w9h,4w9h_504,18.479890680714604,158.6545469574125,896.5332191414706,940.8100926377384,940.8107910364021\n4w9h,4w9h_511,33.15441609635065,274.8163180223293,1114.5603941845739,1162.6417134781539,1162.6417365026011\n4w9h,4w9h_515,21.244830331176175,160.32875791938906,791.8854054288212,831.7450116075601,831.7450614826257\n4w9h,4w9h_516,9.90209840869974,130.74512496121602,780.3198875090351,811.7447620417206,811.744769775942\n4w9h,4w9h_520,17.69118833384618,177.2305450393395,885.2267995636107,933.2347481753205,933.2347538565383\n4w9h,4w9h_523,9.276438485995518,113.05977348940439,704.652549378693,738.2545342997221,738.2557359662752\n4w9h,4w9h_527,21.26197839129217,168.77466284507025,766.3398821120849,806.480989547631,806.4812185293719\n4w9h,4w9h_530,11.439883498248452,150.53809496015185,891.3252086578716,926.1428270021297,926.1431876300263\n4w9h,4w9h_532,29.663120110094667,246.31121580531163,1029.5513119644625,1065.4386471511973,1065.4387224102159\n4w9h,4w9h_537,4.61999066312231,123.27085494683172,781.4402450665804,806.0101911628414,806.0131826628357\n4w9h,4w9h_538,30.169964248797715,234.2534460320365,993.3524775016916,1023.3441630146835,1023.3443732929759\n4w9h,4w9h_546,23.06659761143336,209.3602774991975,1052.7528635735127,1094.1771698598918,1094.1772665670344\n4w9h,4w9h_548,23.455251288356475,177.6795246968208,855.6772896014483,880.9108466596849,880.9108580609005\n4w9h,4w9h_554,44.37551675041512,313.7012114079275,1205.2415808774952,1253.5537720393897,1253.553814918666\n4w9h,4w9h_555,5.655960462573061,118.35239485760891,836.2467343610664,861.3983926287802,861.3988228758793\n4w9h,4w9h_561,17.706696506411614,176.4787994798493,809.4817190310083,845.6299649908779,845.6308371019264\n4w9h,4w9h_589,11.433119690709429,168.21835784716976,920.7090594677829,950.7922389838252,950.7922836367218\n4w9h,4w9h_596,11.951848626014044,147.32990004121714,926.470308914926,962.604537158724,962.6050891143823\n4w9h,4w9h_597,2.5453948806476596,114.39432498839336,754.9632962585032,786.2983240450725,786.2988809956022\n4w9h,4w9h_598,7.89101015473056,109.08778929700748,751.9921128832875,780.232038351958,780.2323471234375\n4w9h,4w9h_612,7.981918204235666,174.27219663943052,961.6090833576332,996.6917516884557,996.6917656466745\n4w9h,4w9h_616,31.4871674071718,203.75269322253044,929.940740486823,971.9626482119472,971.9626538837618\n4w9h,4w9h_618,20.065196648004317,179.22138289853277,962.4378300501872,1009.2941285030894,1009.2941450851615\n4w9h,4w9h_626,45.724082732132324,314.8767613429309,1175.11796303562,1205.361261562805,1205.3613056257648\n4w9h,4w9h_637,13.17018568007338,167.81047680394474,865.760634282783,889.4414155021045,889.4431033121241\n4w9h,4w9h_642,44.033677716617255,273.73778631985556,1103.590856839243,1138.9739895228258,1138.9739981129312\n4w9h,4w9h_647,23.52929171812089,186.2380138184585,759.9328815314985,784.7661921713321,784.7661964346725\n4w9h,4w9h_655,8.707102528640897,149.24453146097807,841.1058745934333,873.4331986935631,873.4332097155454\n4w9h,4w9h_658,18.508071273563893,173.70909139372802,697.7527443183861,727.5964424132686,727.5964445833449\n4w9h,4w9h_662,67.63335798157753,334.139712955413,1166.1593575829156,1198.364537598884,1198.364542304702\n4w9h,4w9h_663,13.70377053108352,175.7273386453607,904.4249739246385,948.8261075185671,948.8261462523785\n4w9h,4w9h_664,21.817038775963912,191.91701862858005,984.9395537106894,1016.026722868522,1016.0268744824169\n4w9h,4w9h_666,46.587891241010276,268.44966820575974,1011.2039681436548,1041.488719948841,1041.488728955343\n4w9h,4w9h_667,54.861089021935065,279.7473836382143,1033.860938043368,1060.1430870530219,1060.1432116732371\n4w9h,4w9h_676,12.272554848608216,180.04282409716254,898.2078231964992,939.9198583672897,939.9235400951112\n4w9h,4w9h_677,27.051051568259446,202.32373028590538,840.7897344408008,857.4586004592732,857.4586072775883\n4w9h,4w9h_679,37.48683384569717,174.24296821034403,834.306143274039,864.4867336035433,864.4867385641861\n4w9h,4w9h_691,21.0303458730761,189.58641417867085,903.1185153053038,933.2520901699055,933.2523742765135\n4w9h,4w9h_699,11.628594835330698,156.43541795283602,942.9521449591431,987.3070418168188,987.3070790215868\n4w9h,4w9h_709,71.84588547610082,390.54738822428,1286.0752998212952,1317.29860125604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980374071886,1325.295770260652,1384.096211281494,1384.096626692779\n3nw9,3nw9_70,192.80263778514626,823.2154863598491,2200.1317851053095,2247.7125513706987,2247.71290848501\n3nw9,3nw9_700,15.521948595334804,230.37753980494233,1189.613710796125,1246.597337824334,1246.5994812706977\n3nw9,3nw9_710,139.68964450395876,638.3978258891556,1943.574934465601,1989.6391653171563,1989.6392688038995\n3nw9,3nw9_715,176.68557828535248,771.1797621423273,2186.8851524019947,2241.242447722887,2241.242566583584\n3nw9,3nw9_734,68.11582069572756,429.9122092081777,1586.0346166418062,1640.7784491956807,1640.778784709308\n3nw9,3nw9_739,151.93339585199172,723.0532506493578,2030.25188818269,2077.8059915439985,2077.8061133968017\n3nw9,3nw9_749,135.5624143477233,662.8443191225172,1928.6253061360053,1979.0984368039215,1979.0988100430409\n3nw9,3nw9_755,135.10084383079433,632.6568286322514,1919.0236741029823,1969.1355938659174,1969.1357035007832\n3nw9,3nw9_757,137.34868854039678,680.253700851631,2072.339984054549,2118.463462321832,2118.4638649991048\n3nw9,3nw9_76,146.93009636937373,650.0270895278243,1930.413850094911,1988.8315789189082,1988.8320360117295\n3nw9,3nw9_766,122.02198715286448,639.6015904006184,1825.4085134949464,1874.901988542344,1874.9024090072555\n3nw9,3nw9_785,103.84013629205779,527.3926361652885,1591.7837285791034,1638.2411971614613,1638.2417521878442\n3nw9,3nw9_786,111.69998534753907,588.1685318609123,1787.9442401590175,1826.5330839395835,1826.5333887678983\n3nw9,3nw9_833,174.24093557543088,795.0867692895191,2185.6269555687672,2238.5707257008557,2238.5710822424953\n3nw9,3nw9_945,197.87313692915157,858.1485822140213,2296.8030165213104,2365.830997420735,2365.831349955426\n3nw9,3nw9_951,181.2891436014116,808.338236968772,2205.4159419118664,2259.25663656119,2259.257037054719\n3nw9,3nw9_964,170.21407196135326,776.5416351816966,2130.137231793113,2193.9051346683073,2193.9055014044798\n3nw9,3nw9_975,174.67522525556387,808.1421421631139,2263.502702039214,2319.5259944783766,2319.526383735557\n3nw9,3nw9_988,144.43771165022298,673.2324156128301,1950.6681691086312,1991.1927584058778,1991.1931988687502\n3gc5,3gc5_402,257.30974640915474,818.6199501122202,1683.6013483875367,1725.1161939370083,1725.120850724062\n3gc5,3gc5_403,206.10924990909768,653.4583002638949,1481.4030632076706,1517.4974233277974,1517.5008168291524\n3gc5,3gc5_406,213.9639587505315,731.2138016469964,1558.683022490682,1593.7672830053775,1593.7693491695334\n3gc5,3gc5_408,135.7081680785508,415.1292489930285,1170.6906472314124,1206.8946428745937,1206.896792763797\n3gc5,3gc5_426,230.45823711131865,782.8412911055094,1682.04495968353,1733.198509561727,1733.2006717768572\n3gc5,3gc5_427,68.70887950412173,282.17156630642165,867.1413290390748,911.036401324853,911.039044939346\n3gc5,3gc5_428,21.855082909906283,154.27239510410988,809.4671954415464,848.3685086451209,848.3714035900424\n3gc5,3gc5_436,136.26934264730065,525.3196255024368,1290.9079512915926,1325.9267459744353,1325.931781823449\n3gc5,3gc5_446,32.072308822313275,218.79322314881608,868.7376572341539,898.4107278107396,898.4130425792675\n3gc5,3gc5_451,78.01105009297181,295.8488755595521,922.7000019783466,952.8332611639111,952.8377321982413\n3gc5,3gc5_457,114.47593581797896,404.4402420123412,1165.184064331051,1210.3282918163823,1210.3303610539879\n3gc5,3gc5_460,82.81248823979868,340.1823774645791,977.7029934118304,1016.8340804745926,1016.8371417889272\n3gc5,3gc5_461,38.4581752699924,232.85263034727723,772.4694241281223,807.1763260802938,807.1783510766857\n3gc5,3gc5_463,121.39003706762283,396.5985207974843,1144.1681513608742,1180.3001215667646,1180.303613859547\n3gc5,3gc5_464,232.0338324434905,791.5677942971363,1679.4836441430064,1714.710571018682,1714.7144878869804\n3gc5,3gc5_467,125.22675798735071,428.13242631741946,1148.4629363016716,1187.4324501557264,1187.4334593947183\n3gc5,3gc5_471,66.80533356170174,272.79638759641693,794.0742993121366,816.8935684433783,816.8960942767148\n3gc5,3gc5_475,70.73023594993624,275.98863746352544,933.3994802567639,981.5967023019746,981.598236824041\n3gc5,3gc5_492,58.70336991427009,285.76388189453223,939.3798940317953,974.7165719477651,974.7187223871143\n3gc5,3gc5_495,27.39183088328035,187.75654086092538,897.9958328187637,939.7230156194167,939.7265872389991\n3gc5,3gc5_500,44.30273572825243,226.20368892563963,890.9609548624621,928.3018886080674,928.3045314033781\n3gc5,3gc5_507,26.595880169405028,174.0360363586975,850.9119333951278,900.438978031854,900.4416831067301\n3gc5,3gc5_516,45.1814847005153,233.99038023781023,823.3460908692285,861.8004259263736,861.8024504418494\n3gc5,3gc5_518,9.75195633273515,132.25069984882512,721.1670179043211,766.1739140116118,766.1774928770086\n3gc5,3gc5_524,218.14613916378087,725.1454966701218,1610.774635092825,1654.9825865346293,1654.9855026783443\n3gc5,3gc5_532,34.268930766007806,189.97925775617722,879.3444951571173,926.9343484534087,926.9364040367069\n3gc5,3gc5_536,13.809647168419522,140.1021816325393,815.2143529836399,862.9078643857432,862.910136802076\n3gc5,3gc5_551,2.98480112713558,100.06269153831995,702.3881736206722,750.0695775105152,750.0706951441069\n3gc5,3gc5_556,75.79729104152226,280.25597176359133,945.408654336884,981.1298929661135,981.1313228333808\n3gc5,3gc5_559,140.51244243651402,458.7430812239028,1245.9519425843528,1288.4611463492156,1288.4637897678444\n3gc5,3gc5_563,11.047964222218711,111.27374983049513,637.9412869201363,684.3500572091543,684.353408317497\n3gc5,3gc5_565,1.870140676238836,103.14622011684172,689.9754923926416,739.1933320442957,739.1976318533126\n3gc5,3gc5_566,19.672493287845846,162.18996224081755,748.9324721152792,778.788314681109,778.7897379663411\n3gc5,3gc5_567,146.02755596373976,581.2978638023734,1409.540798091409,1457.4801782152674,1457.484503165803\n3gc5,3gc5_574,25.68026390728593,170.53453149864384,819.4852264304373,851.8267293866427,851.8284613238609\n3gc5,3gc5_577,168.08229917597092,548.697315632986,1299.8649453173393,1335.1822103365055,1335.1838351897952\n3gc5,3gc5_580,55.87665238221814,274.1161380912263,875.6885246146948,901.5652996965292,901.5673840112328\n3gc5,3gc5_582,13.352130775205008,113.17710201167067,763.4716886324906,807.3776076430088,807.3787084384201\n3gc5,3gc5_585,9.255962917433253,114.15936545921463,678.2382457605156,746.3829959177759,746.3843604639209\n3gc5,3gc5_589,15.211639854995434,142.94939075497203,821.1240497015265,881.2469292701065,881.2488445621032\n3gc5,3gc5_603,193.4155558666512,665.6211525985048,1494.8458420220766,1543.1749782173413,1543.1792085562333\n3gc5,3gc5_604,191.8482797632502,617.6698517428955,1471.8410698740938,1514.3927678609937,1514.3954764907241\n3gc5,3gc5_605,207.31466740783534,687.5714720483743,1470.6997219874534,1503.3216401325994,1503.3237436664317\n3gc5,3gc5_606,172.90366613649306,548.935559369154,1240.2558288291773,1275.5378628126653,1275.5437530603895\n3gc5,3gc5_607,139.98831923255702,443.1009513631268,1222.3787544397937,1269.5723264268643,1269.5749103039323\n3gc5,3gc5_617,144.01742371736938,445.29335689807107,1184.1829190118299,1229.2223315447104,1229.224895815467\n3gc5,3gc5_627,51.33320265054718,216.1233202771052,709.1500792609255,736.216179171333,736.2164532399164\n3gc5,3gc5_631,129.2665735073565,472.81791398889936,1239.809797601078,1287.4146090565098,1287.41939073463\n3gc5,3gc5_632,90.85535880463573,333.7230593835104,1036.0356935419345,1075.144447733698,1075.1466466343386\n3gc5,3gc5_636,72.44042572398712,277.6048726752823,1007.2610037983289,1046.2777017109001,1046.2825782030532\n3gc5,3gc5_638,30.425829394147538,180.55135478770384,826.7725615966701,866.3358989835649,866.3382084934794\n3gc5,3gc5_646,59.64110503677251,275.66765027375203,1033.9351698248954,1070.2336297237464,1070.2362224213268\n3gc5,3gc5_647,152.99651104198733,481.8469258446239,1241.3889100095353,1272.8376246531625,1272.8429062991875\n3gc5,3gc5_657,30.395814988709542,194.64136907646267,825.2934171065579,872.0362605393057,872.0392032949037\n3gc5,3gc5_662,97.97674687693147,331.51180662755934,1086.3353617781322,1130.9319757950832,1130.933820682007\n3gc5,3gc5_663,84.95518901814606,326.01358808375824,1075.8255208084586,1126.241923406968,1126.2458910538246\n3gc5,3gc5_679,25.30067297962752,182.0669418397868,826.6660775048157,862.5883199633554,862.5905989606749\n3gc5,3gc5_682,28.18963552734807,189.017080813155,896.7095978060407,940.5981882703069,940.6009173650045\n3gc5,3gc5_691,161.6914839835247,595.2931639684177,1412.5106191213888,1460.0867941050262,1460.089696487786\n3gc5,3gc5_696,51.412286421460074,234.42260680657847,1011.2198508422152,1069.5579839436812,1069.5608204775485\n3gc5,3gc5_715,206.85635953212915,728.6587179893892,1636.7521188478318,1689.2569004345767,1689.259127848037\n3gc5,3gc5_733,24.627250937834365,154.17867777188226,809.3987329287442,846.3463673767114,846.3533635373709\n3gc5,3gc5_739,4.73657872045197,96.2342555227885,755.2672768800526,794.5339966294924,794.5378701587626\n3gc5,3gc5_749,5.206274682949928,87.53050260139584,726.1214518821405,771.4327090874256,771.4347360894823\n3gc5,3gc5_752,4.4333958515137395,84.97814567749235,737.6980281058146,786.3193026796306,786.3213972320207\n3gc5,3gc5_755,65.13962442677527,313.9431790750241,930.2481662038573,957.9382671007752,957.9410193720898\n3gc5,3gc5_757,14.422153327256297,124.73639299923485,838.4157192311638,898.4162110618066,898.4187270779328\n3gc5,3gc5_758,9.859261144739795,126.3637707738741,810.7894553115025,858.8928238643874,858.8950485004217\n3gc5,3gc5_759,3.1352983340955833,68.39492316579852,709.6991164428007,742.9181896072298,742.9206039602202\n3gc5,3gc5_764,5.860418306282524,86.02288318354744,725.19995331034,771.656898334788,771.6588465398468\n3gc5,3gc5_770,7.633520319606347,83.2605540514062,729.0763162898887,787.82514550887,787.8267297192625\n3gc5,3gc5_772,7.357547483504399,80.23838809388461,743.530594490713,789.021424145387,789.022834794032\n3gc5,3gc5_773,6.103327947088143,97.75842986994344,840.3823465571847,912.8852856428235,912.8876402969632\n3gc5,3gc5_775,14.795506075345932,112.26093449763123,779.4417695411762,822.0510340155557,822.0536839978466\n3gc5,3gc5_776,14.740247394729959,110.17425889752568,775.8422342452227,825.2906279525488,825.2933150087131\n3gc5,3gc5_777,3.69490808404617,75.919020024362,708.642419354468,753.693765920733,753.6953527277175\n3gc5,3gc5_778,3.2297443278000837,74.35471168444744,683.4932374436835,737.2086813243922,737.2101151254828\n3gc5,3gc5_779,2.898851426843901,75.6778354896077,730.1701836227675,770.4675807094927,770.4690943714127\n3gc5,3gc5_780,1.9997137907882307,68.59318816629137,733.8028894369579,779.2051104097368,779.208336947186\n3gc5,3gc5_783,8.73329411341028,103.26210756430254,803.3257792042011,855.7439465597943,855.7468294811706\n3gc5,3gc5_784,10.071872955902084,108.51510840168044,867.2117688136319,956.2732789797549,956.2742031093608\n3gc5,3gc5_822,122.24100527632264,409.8324280858412,1192.103424382086,1240.1650922491285,1240.1681549015334\n3gc5,3gc5_878,0.7426489971490664,31.340701838746536,517.0023834731592,554.4170644460457,554.4191830610099\n3gc5,3gc5_879,0.7578649740648824,31.30014905819216,533.5438123089644,559.6843881044672,559.6865156237083\n3gc5,3gc5_973,60.367033075301535,264.601976253039,964.4282611082871,1024.4892452524164,1024.4924684983757\n4wiv,4wiv_230,5.50534519131382,139.82910964969838,826.423425088042,878.0303848511758,878.0304037212927\n4wiv,4wiv_270,4.373906012033277,132.27387104688574,800.1243235638492,835.6785656174751,835.6785811038046\n4wiv,4wiv_401,38.913093260849735,300.2271579977938,1012.3283245216755,1054.5345882810018,1054.5346388799585\n4wiv,4wiv_413,26.929916417515656,289.5291283509796,1092.7723611682195,1125.8061886029493,1125.8062002216723\n4wiv,4wiv_414,45.66898783413414,303.0342887264855,1077.3317741145493,1114.8576866353528,1114.8577877411394\n4wiv,4wiv_428,33.64806075494425,277.64708629022994,979.3994230045529,1003.224106471459,1003.2241477119973\n4wiv,4wiv_434,46.356875446658385,340.1926598617832,1156.100673704733,1194.0200034209442,1194.0200793753806\n4wiv,4wiv_435,34.79607184918141,315.25119485739964,1014.8166147288407,1059.8294628411138,1059.8294842299397\n4wiv,4wiv_441,45.0039567763657,360.077773696458,1139.9964272899854,1168.9040322252545,1168.9040721255346\n4wiv,4wiv_448,37.39263090552758,281.4656489797979,992.4649220837272,1028.3179051968925,1028.3179949776863\n4wiv,4wiv_461,46.05197518165334,387.19837606468263,1244.8171800715386,1281.9133621315004,1281.9134168170337\n4wiv,4wiv_475,54.17883651622044,396.87132334511296,1165.2317925381863,1200.8522350365963,1200.8522776675384\n4wiv,4wiv_476,45.31848275552641,346.470704613058,1093.630098308933,1132.8366328143743,1132.8366628589993\n4wiv,4wiv_481,28.681024069526774,243.13530750046465,938.996856790352,975.1874821865506,975.1875657945264\n4wiv,4wiv_484,45.16854340964533,356.08686970815296,1130.677858407713,1159.8423555202482,1159.8424046354544\n4wiv,4wiv_486,57.985089154659626,426.0463119147555,1298.617674804753,1326.9405373725135,1326.940573912515\n4wiv,4wiv_487,43.736830469570066,367.806600947041,1088.4433849907823,1121.0127749746132,1121.0128661229428\n4wiv,4wiv_491,27.23355805075178,258.114243257313,1091.146176223391,1129.6889851356448,1129.6890174838004\n4wiv,4wiv_493,38.81371725716037,345.07446458279907,1097.384324682932,1132.5376673745313,1132.537699143268\n4wiv,4wiv_509,32.50549172939988,278.36161769213226,1087.1576691284993,1137.4372969805177,1137.4373042451846\n4wiv,4wiv_517,42.57942821041391,374.1622516111453,1123.3395647475081,1155.1982426135603,1155.1982662654193\n4wiv,4wiv_520,23.997854123510912,198.800744086179,936.9908454782307,970.8574617591408,970.8574948088998\n4wiv,4wiv_528,50.78174637966152,375.78081056630907,1119.0934329700863,1159.271760786111,1159.2717916323113\n4wiv,4wiv_532,18.125237357615116,208.00117661399602,999.9995765578248,1063.567289075305,1063.56735330934\n4wiv,4wiv_553,5.6104812824878945,135.85765391182315,862.5530146512137,905.8571301502245,905.8571659890985\n4wiv,4wiv_557,28.787094189552615,228.9476810626986,932.0668710769904,974.500090621002,974.5001776268577\n4wiv,4wiv_566,6.791225557540755,130.66666626861684,899.1403162561306,938.588491867533,938.5885393910563\n4wiv,4wiv_577,12.627320508129529,171.24730733340968,930.4799794317719,967.5926974332845,967.5927459701132\n4wiv,4wiv_583,48.972108051469675,383.73010899130105,1218.9582291644726,1271.0592147786826,1271.0592395374806\n4wiv,4wiv_598,15.841970676904287,187.36093016594208,946.690488999317,1008.3009763915483,1008.301028738253\n4wiv,4wiv_601,30.523212890026105,261.3198495850178,991.2270474992655,1026.5158472590701,1026.5159205596142\n4wiv,4wiv_615,17.42670094467302,187.39512778260226,978.8248243789028,1013.4335321898434,1013.4335679539145\n4wiv,4wiv_621,48.12106456059418,406.23256222046206,1255.2579169873445,1295.5202261414327,1295.5202581094802\n4wiv,4wiv_631,7.891516015164267,140.37496580196793,859.6613893505433,902.6222081858989,902.622274737465\n4wiv,4wiv_651,29.004027869792242,231.2849902557703,1017.7775662632423,1061.260618931112,1061.2606592874233\n4wiv,4wiv_679,55.662076289332305,395.6482269187539,1233.677413916396,1267.1572500030823,1267.157358439385\n4wiv,4wiv_683,19.75031964839591,196.2193390750191,954.0025763621849,989.7075908457431,989.7076430468443\n4wiv,4wiv_697,1.3933024324099628,79.212873362596,678.2893669208539,713.7050233772972,713.7050873037672\n4wiv,4wiv_698,41.66630398347185,356.96884348071825,1128.016175250679,1154.5976487299208,1154.5976795108922\n4wiv,4wiv_721,45.81774130496741,342.5744887646209,1237.6953380299224,1274.9703903668544,1274.970457133357\n4wiv,4wiv_727,37.446757758455696,303.31663258229224,1181.1628377900242,1221.61318136972,1221.6132262742706\n4wiv,4wiv_729,41.39127939362574,318.38121466918574,1172.7708020346688,1217.8742943064306,1217.874339140932\n4wiv,4wiv_738,33.485469558890756,287.3974098742996,1118.115160431358,1149.2772047758942,1149.2772488063172\n4wiv,4wiv_739,33.65182090108478,290.6779283168018,1104.0849988551415,1144.04126889481,1144.041324861175\n4wiv,4wiv_742,44.70059514880032,405.81630826642044,1240.3681183613735,1272.389933390947,1272.3899624514656\n4wiv,4wiv_745,19.46078910363891,212.47919778152823,1059.6037460571793,1106.6981306053578,1106.6981782541866\n4wiv,4wiv_746,43.31590783877134,338.2180836662821,1171.8632578848117,1209.1851786311001,1209.185243525383\n4wiv,4wiv_747,22.738251458569852,178.6009369443259,909.7968691183492,944.4167752513582,944.416827939149\n4wiv,4wiv_749,16.239385593762677,184.51409690003504,1018.2272626474248,1069.6549312444322,1069.654960086146\n4wiv,4wiv_753,27.70230903523485,239.43170819510252,1011.8232537190537,1039.8994672067824,1039.8995872749647\n4wiv,4wiv_762,42.2894435572808,349.68904214400465,1167.9144128049745,1223.7163043660732,1223.7163695449822\n4wiv,4wiv_769,13.995388094645621,175.15336071206838,972.4454789491954,1007.9979608893943,1007.9980205922153\n4wiv,4wiv_771,4.653217228583258,97.37976242784575,779.647335329176,834.196977516972,834.1970824041454\n4wiv,4wiv_774,18.599740246722575,206.7155016257448,932.082874820231,980.2338291650198,980.2338535667755\n4wiv,4wiv_792,40.156764394818175,319.9689423725149,1186.2716731075705,1230.297813762106,1230.2978619747946\n4wiv,4wiv_820,39.3956232681013,294.2521224879225,1145.9756817306961,1184.710205542131,1184.7102460515234\n4wiv,4wiv_829,50.25736007239719,371.92219967261246,1302.2461587080627,1342.0478555483214,1342.047930461914\n4wiv,4wiv_836,29.03251952027733,268.45887596174816,1114.9890816810143,1171.9810616808966,1171.9810998209202\n4wiv,4wiv_838,47.050617655022194,361.5775471789958,1278.321830069934,1315.9157264583152,1315.9157938531382\n4wiv,4wiv_841,29.929672750588814,247.394838163498,1072.6834993068326,1129.7131150016169,1129.7131529670755\n4wiv,4wiv_844,28.403877532969325,260.3497577662457,1074.0354621572078,1114.7236962994662,1114.7237368147523\n4wiv,4wiv_846,38.412874276211575,306.3604405965655,1119.2854137902432,1153.45362476293,1153.4537024932492\n4wiv,4wiv_863,27.15056451342638,242.1938668589576,1024.301636912579,1070.8520493163878,1070.8520936629052\n4wiv,4wiv_865,47.968567261840015,356.1702681372575,1217.1812029385956,1244.066868134856,1244.0669226065631\n4wiv,4wiv_866,27.88826158349309,240.35296090257415,1014.4198073281985,1051.481481886511,1051.4815860774147\n4wiv,4wiv_869,20.90999531570154,203.01805361034621,993.4193584010064,1023.3488274176004,1023.348884645583\n4wiv,4wiv_870,30.812849900883577,268.04136579773575,1092.9776345924768,1123.5520439766935,1123.55214693302\n4wiv,4wiv_888,36.7950736458901,295.8630914041493,1125.7560419554757,1164.9837251044103,1164.983774334819\n4wiv,4wiv_890,39.28830418798947,294.19665829934365,1222.092577280894,1271.611046920428,1271.611125715381\n4wiv,4wiv_892,37.320065591177105,301.8061344235579,1175.4034367481024,1206.7936927389262,1206.7937387873123\n4wiv,4wiv_913,42.36222224513588,325.9589578502305,1195.2567709320062,1232.5798085188599,1232.579851660673\n4wiv,4wiv_914,32.822280768894714,302.20455892748765,1161.0632596492778,1202.649615199856,1202.6496587729469\n4wiv,4wiv_915,35.78154681578439,316.0527118202169,1165.9680988675022,1207.7029446846532,1207.702988986639\n4wiv,4wiv_935,27.654130400915562,260.3673043272756,1106.301378862163,1162.2442406699172,1162.244279632678\n4wiv,4wiv_947,30.48261776079836,243.7423681415843,1006.2667101954904,1043.2229501889335,1043.2230009589339\n4wiv,4wiv_953,41.24068195398419,324.63022127263673,1215.3760238730806,1277.4832259765537,1277.4832987388695\n4wiv,4wiv_960,28.300380796584072,260.5438981502375,1059.0687930847046,1103.2589230544788,1103.2589867878173\n4wiv,4wiv_965,46.347755671716754,352.6854857396625,1207.791792818385,1240.3584488447211,1240.3585427315388\n4wiv,4wiv_973,44.6431355085882,358.0695531304685,1271.5950172697267,1310.4125422772722,1310.4126127752852\n4wiv,4wiv_977,46.30019964795222,304.39697538325066,1148.6458975240646,1208.7025158261613,1208.702608992427\n4wiv,4wiv_979,38.64025229365645,341.83854591676123,1207.9837029446799,1260.399970727916,1260.39999485874\n4wiv,4wiv_981,50.19436162958549,358.96411889832746,1247.1262529485723,1279.4254103071978,1279.4254559301946\n3zt2,3zt2_116,90.95984306588294,435.2960574784357,1238.2404422438156,1274.0372199920198,1274.053826766992\n3zt2,3zt2_119,83.49032032259271,428.2996074446756,1259.9769564227859,1286.8930050530391,1286.9095571872074\n3zt2,3zt2_122,75.20881478491009,384.82870485845075,1148.723701101033,1186.0370971614486,1186.0559886830385\n3zt2,3zt2_136,80.322767812453,435.02322638299336,1288.617295248357,1337.0610540754838,1337.0777097846926\n3zt2,3zt2_173,94.46612712737671,471.2416488786764,1319.6612653749908,1351.958188866325,1351.9757686214834\n3zt2,3zt2_182,76.72755420534187,391.45239273140936,1121.372159982283,1165.0732732811753,1165.0914020352996\n3zt2,3zt2_195,105.55569379356764,480.0129125388994,1317.2586957129079,1344.0823706747685,1344.0994885854673\n3zt2,3zt2_233,93.456075072773,448.70141194036205,1260.4267128418126,1291.6764487716014,1291.6941821601197\n3zt2,3zt2_250,99.36328083413069,470.1241796061079,1319.3668104447552,1352.4733454124716,1352.491310695418\n3zt2,3zt2_323,99.89830222213898,479.41243309800194,1318.9975267159589,1367.4643564136697,1367.4812878683758\n3zt2,3zt2_410,91.76561957454736,433.5976011578024,1216.251111210391,1247.1266304176308,1247.1438841734991\n3zt2,3zt2_433,94.38673211627304,437.29541133930957,1265.4090549843243,1307.7920114986919,1307.8088842823222\n3zt2,3zt2_444,84.87970484353674,466.00372778377687,1295.3122701146187,1330.1070360541905,1330.1251459867976\n3zt2,3zt2_463,44.39797432657737,278.2808944178663,942.0308822351518,989.8266495267603,989.852268149169\n3zt2,3zt2_472,50.94394685026063,277.23243876501937,942.5039495795777,994.772580948654,994.792508823177\n3zt2,3zt2_473,75.23274800328203,381.9653604684806,1115.2816178778305,1147.9529955551072,1147.9699014385992\n3zt2,3zt2_474,83.71300904916114,450.3350782345536,1303.6976338376621,1337.6700811095911,1337.6865078740889\n3zt2,3zt2_491,73.08977047918854,376.62855258062956,1046.3427281521942,1082.4218715329025,1082.4398672631933\n3zt2,3zt2_5,97.37152398323629,471.1919111687958,1369.9376722886373,1415.9036092423707,1415.9211275164373\n3zt2,3zt2_529,74.85924008493656,416.4627260026351,1278.4837270770795,1320.5143255795554,1320.5318060931254\n3zt2,3zt2_541,82.15213109239754,437.15001524250056,1322.333575616137,1362.1664573842056,1362.1833196605785\n3zt2,3zt2_561,31.403879435773828,254.4677905039032,935.8770102754902,974.7349504132071,974.756963824435\n3zt2,3zt2_566,12.889749964470047,156.6369097419062,782.2859083632893,841.609497270561,841.63706999445\n3zt2,3zt2_568,24.06760186132549,199.19157230874845,929.9298191261461,987.813593696899,987.83631139506\n3zt2,3zt2_571,29.188579154674475,229.83357628500252,824.8361145477882,852.5169692778348,852.5352916414664\n3zt2,3zt2_578,27.105749066880012,211.47919459620647,775.9634330274879,802.0603042678895,802.080278648232\n3zt2,3zt2_585,48.3951639595627,296.59467710501355,1028.1690301746182,1085.2069112285035,1085.225575972694\n3zt2,3zt2_589,69.97351786160456,361.9908228791262,1191.1705451723408,1234.6184160883088,1234.6378430827651\n3zt2,3zt2_592,5.763463296086391,172.81088071643416,762.650098206262,813.0218947642469,813.0352936634508\n3zt2,3zt2_600,22.851600654980587,212.1000341515363,906.4002942093933,953.4526988040986,953.4703420465312\n3zt2,3zt2_649,63.191896250007396,344.0493585194529,1156.1255357055306,1189.994505939694,1190.0121824074724\n3zt2,3zt2_650,58.732052694788,302.97198541922774,1067.5223870457974,1102.342478258439,1102.3642204977716\n3zt2,3zt2_656,21.081003126559533,220.59971798371006,1029.1342641664444,1068.1274808225926,1068.142186233202\n3zt2,3zt2_670,29.26930909452467,233.48992063402093,939.0780110438932,974.6933673579906,974.7144618458117\n3zt2,3zt2_680,29.237954168197458,229.19921887353425,942.883057741477,982.1601976662607,982.1874181074046\n3zt2,3zt2_684,60.44407915741433,321.8704100864317,1003.3901245604966,1035.0352301724263,1035.0513928801488\n3zt2,3zt2_685,37.85665875789992,269.87991896740493,954.4172997059233,986.6120181954683,986.6222890517688\n3zt2,3zt2_687,47.55436251302409,240.47360337828465,920.3517495735673,952.4193096139171,952.4362506023464\n3zt2,3zt2_694,15.590352981334732,185.54648781580696,859.1104714658936,890.6862075897574,890.708350845401\n3zt2,3zt2_696,36.25016019770393,290.5845429594412,931.8450553377049,970.3583221973144,970.3825923284503\n3zt2,3zt2_697,40.839657850804535,233.57996170676267,1023.3323391525987,1059.0379009812973,1059.0553942132515\n3zt2,3zt2_707,55.705805950755696,317.3161735255746,1033.475856182283,1073.413794106165,1073.4366158239945\n3zt2,3zt2_728,12.678475963516668,141.3366656945687,717.7467319421917,751.9455201352986,751.9562821379469\n3zt2,3zt2_732,33.597056733748225,285.09020941019486,1033.3530554473784,1077.0565983337463,1077.073523399414\n3zt2,3zt2_741,33.48832774942572,278.7472257039404,1040.6072921160662,1077.3315215125097,1077.3484911616604\n3zt2,3zt2_753,6.348072430493995,125.98492509750042,805.1846162067809,856.4717731134047,856.4968904576622\n3zt2,3zt2_758,13.696471702905143,170.3504205310323,810.0651434814254,852.7752016825161,852.7925414484067\n3zt2,3zt2_760,22.1996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4663,2365.0723937850926,2423.3548804329384,2423.355822539118\n2v7a,2v7a_381,24.742382047127748,175.10012313164873,919.8774684438545,973.3094831097677,973.3096934021261\n2v7a,2v7a_388,227.83305831286822,979.2170329640745,2314.1734349269746,2366.8067451263223,2366.8083107883103\n2v7a,2v7a_407,88.13318924097199,438.7646912517905,1386.9543892231238,1433.166191860949,1433.1665369977852\n2v7a,2v7a_408,68.11147538072521,350.430196838031,1286.7727068533277,1368.3651045249753,1368.366325586221\n2v7a,2v7a_416,4.18303500683478,128.89674144996195,1216.659679786688,1295.5032913282591,1295.5038040946984\n2v7a,2v7a_419,3.504635722806065,129.9450959968688,1255.9086360891474,1340.1473407008943,1340.1487792615558\n2v7a,2v7a_423,4.910812436234958,119.35282741945046,1182.8293045226794,1235.6725654272084,1235.6745027158584\n2v7a,2v7a_424,111.68360589277181,532.8559752703495,1741.0074333581028,1794.8937327911997,1794.8941910183084\n2v7a,2v7a_426,28.18854785987474,265.5722088305226,1256.2071702653955,1325.6342547007494,1325.6344543900418\n2v7a,2v7a_429,1.1573687140609443,87.2360052579233,1063.0138054120541,1120.0789009404161,1120.078992804721\n2v7a,2v7a_431,78.21131690681857,370.1258706404272,1217.655714642075,1276.6941948219558,1276.6953261795536\n2v7a,2v7a_434,127.6394580468463,672.5927143614899,1776.8138888078631,1821.3257751070726,1821.3262953171604\n2v7a,2v7a_441,10.775648996885439,191.8772823027591,1168.980494017462,1233.9515932024751,1233.951782346197\n2v7a,2v7a_444,22.005525597118385,209.44644530577355,1297.9559972688037,1383.8142267520836,1383.8162422495132\n2v7a,2v7a_446,7.3050798134337,155.82333036543713,1119.7563325899227,1174.8345780109307,1174.8350173213798\n2v7a,2v7a_447,105.74334248734668,551.3269471234421,1457.0473251264928,1497.2941194793239,1497.2944111095894\n2v7a,2v7a_448,91.01174090630583,531.4486428214731,1822.035353483817,1894.0755634708296,1894.077605928339\n2v7a,2v7a_452,4.056792827599221,141.63495548751416,1109.8716390453858,1174.6041967133776,1174.606134543617\n2v7a,2v7a_475,2.2632295838630285,103.82593223974379,1194.648191985381,1256.672100315136,1256.6722885137874\n2v7a,2v7a_478,1.5605286508657725,120.71844773458777,1119.4293323000586,1180.2273577984818,1180.2279367638216\n2v7a,2v7a_487,24.093447830757945,255.33784468516578,1229.9316590863555,1297.2810478152662,1297.2811162124285\n2v7a,2v7a_489,4.870454667384956,173.13900071845558,1387.899263625183,1483.7708063674593,1483.7712335846536\n2v7a,2v7a_494,91.70550965442087,478.3031431429014,1421.4976931487909,1475.4678021434852,1475.4683101712567\n2v7a,2v7a_495,3.4903756138093334,121.47914767049171,1203.8460201491212,1266.9812622651896,1266.9816552611585\n2v7a,2v7a_496,89.8693545648587,512.9474952035941,1505.813255142315,1566.022637768854,1566.0226497992146\n2v7a,2v7a_498,43.86827299552912,327.80508529718946,1239.2217886001913,1283.129199645983,1283.1292615623847\n2v7a,2v7a_514,18.24049988720149,243.87627862686452,1205.6770472827059,1266.50782421609,1266.5089211606885\n2v7a,2v7a_522,4.606180176392837,141.9396998433035,1056.5944676220965,1106.2424133950296,1106.2425031178143\n2v7a,2v7a_523,36.42995839060026,332.880587367751,1330.8977720735936,1380.18123720069,1380.1815373109182\n2v7a,2v7a_530,15.680456685931691,219.50185620701666,1098.7389428528315,1156.3642694339785,1156.3644226700258\n2v7a,2v7a_536,2.919893698740533,139.12764168382424,1304.7831869198328,1411.3162330571997,1411.318725451077\n2v7a,2v7a_548,3.802906432523414,160.40919069924124,1131.0582441730053,1189.2132271428914,1189.2140543629168\n2v7a,2v7a_550,11.578931676247185,201.21179518558273,1243.5613641839143,1308.388760374435,1308.3888073056362\n2v7a,2v7a_555,2.7904378637191525,121.1367316478051,1080.1177397422944,1156.8580487483352,1156.8588298261632\n2v7a,2v7a_557,3.9544896528042233,157.10377975021188,1004.5933521246665,1065.5566980245933,1065.5570503507854\n2v7a,2v7a_561,1.0576870603935349,72.92996949873111,1111.8544637888376,1186.637861160246,1186.6378688005461\n2v7a,2v7a_568,2.1134012035543326,114.23770462231339,1077.1070417264825,1144.5645761577885,1144.564729690048\n2v7a,2v7a_572,18.735257724251923,224.32633532329908,1002.8148280561921,1046.8006830465044,1046.8021461545918\n2v7a,2v7a_583,8.875179573062367,147.5375216226566,952.759069151949,1000.4889933074733,1000.4891427425645\n2v7a,2v7a_591,91.8221511276462,464.598605906627,1512.1917247319964,1578.3395328785805,1578.3418236760804\n2v7a,2v7a_592,21.889416099785905,224.71490865818734,1327.5591917318525,1405.4223904379937,1405.4224846026316\n2v7a,2v7a_594,12.409560952551947,218.07929551399647,1185.5042712215447,1244.3639751682485,1244.364239698436\n2v7a,2v7a_600,45.43651926252331,331.43181618466656,1541.001615896185,1610.7105255133358,1610.710831610976\n2v7a,2v7a_606,8.63909170190401,185.91373636483422,1200.159185703302,1254.812586538202,1254.8126952174534\n2v7a,2v7a_609,46.79478116551638,380.8546292742935,1460.3346607772169,1518.8602774223955,1518.8615788207337\n2v7a,2v7a_616,27.055124946757658,265.82053474554056,1445.421597997299,1530.375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06.30792407565161,770.6629269578632,832.24995869426,832.249973494961\n4mme,4mme_600,16.118427395647064,193.2043860704722,901.5753916438293,946.6747196122327,946.6747322380476\n4mme,4mme_611,33.606435167624376,267.69842593270374,767.3109777846821,786.1442571046196,786.1442581457917\n4mme,4mme_622,58.09456286763753,326.8007034585673,911.5246358561358,934.4759450056579,934.4759586967298\n4mme,4mme_635,37.79267997369245,284.48708893295884,850.1667782320234,867.4791227944116,867.4791251132052\n4mme,4mme_644,4.967934367450457,116.69708984966695,741.3283028142727,784.4277747029131,784.4278051254992\n4mme,4mme_646,32.00993464148815,269.6854653562932,847.9469848048963,871.3932224799066,871.3932229417286\n4mme,4mme_651,20.518606530817316,196.49238783699272,775.8421415268133,813.8562251860498,813.8562537875558\n4mme,4mme_656,23.00711324791539,226.04148871979484,761.9723666286297,777.10957339175,777.1095755165803\n4mme,4mme_657,7.4379365386975325,128.47864820230393,743.1247114791468,787.1388985782191,787.1389152970002\n4mme,4mme_667,3.2158687054058914,94.04494166643272,748.165227673968,811.266581608942,811.2665954419978\n4mme,4mme_670,2.0797768208835326,99.3101016224566,732.9345175040637,788.0897868665497,788.0897899621042\n4mme,4mme_674,3.063730827796699,105.86245128581936,719.6509935790823,776.8298253018648,776.8298277149433\n4mme,4mme_676,35.55622566852877,287.0800126267652,825.2873481604754,847.426804785578,847.4268056345899\n4mme,4mme_685,6.779179603613877,123.27954146994351,625.2046826778151,663.2010355792263,663.2010431113006\n4mme,4mme_687,3.259274209351921,101.4757035576098,770.764316333629,824.9866635996389,824.9866842827817\n4mme,4mme_695,27.22539082983494,243.0985934391147,874.6426289690434,902.5479321533236,902.5479401649616\n4mme,4mme_71,85.07238372999288,437.6787546151008,1077.523166485597,1102.2799152215914,1102.2800723420928\n4mme,4mme_723,65.33815537986311,369.8705943214488,1002.9512585575113,1028.0329268486475,1028.0332068034572\n4mme,4mme_754,35.96361979755232,254.36623333864162,819.31173166519,842.9505148704486,842.9505408539774\n4mme,4mme_757,25.588762927792693,239.8037099089032,726.5751002064859,746.3756093958888,746.3756337401863\n4mme,4mme_766,29.306248549164085,251.7597635270656,785.0508989309774,806.0862323470798,806.0862460800884\n4mme,4mme_768,22.84480537702821,225.9561724671857,725.0872249707552,742.9969507005538,742.9969767735354\n4mme,4mme_769,23.47898853091138,198.3850077479242,601.5527144156916,611.2708031458401,611.2708092892892\n4mme,4mme_834,16.544059717696737,190.9344514125009,821.5589163277803,858.2055265775041,858.2057353540224\n4mme,4mme_835,13.031946245479105,197.2311540380343,885.3422847889576,939.6725459130116,939.6725772672191\n4mme,4mme_839,5.474856311092069,110.47653174889122,756.6596989666701,799.3746295192091,799.3754333933086\n4mme,4mme_845,53.85008637065501,319.6221640203678,842.8299214480053,864.4652383555144,864.4652560645069\n4mme,4mme_86,76.17249700454786,424.5416238899993,1065.0259862824296,1083.75095723476,1083.7511180165227\n4mme,4mme_943,16.28480206703714,190.63027865928836,795.9070293492553,826.8440555307571,826.8446329556078\n3kgp,3kgp_20,64.45841551835736,263.65409399985356,566.3225976031262,587.1727670374954,587.1765486661736\n3kgp,3kgp_31,68.44885991003498,273.5797774431978,579.1550020795413,594.4536963246335,594.4577803353703\n3kgp,3kgp_408,58.87292778373674,249.84045041941826,533.9227287650046,552.3746112558885,552.3776430672273\n3kgp,3kgp_420,69.24863414736782,259.3326663342478,490.1708445907052,512.0474187345706,512.0498980062198\n3kgp,3kgp_431,51.6767046101714,219.79166100404532,490.01729740919376,503.29618064416496,503.2988335961166\n3kgp,3kgp_434,61.680264601315024,211.90042621530588,421.6552215799981,440.11217478308754,440.11505004597535\n3kgp,3kgp_457,48.41528556420268,202.87167841792322,428.8392235626541,449.53488056153276,449.537874939154\n3kgp,3kgp_465,48.48379863623888,190.4459487610645,416.2709417393424,433.7686945835662,433.7722148895448\n3kgp,3kgp_475,51.59492070003149,206.97855175730277,423.57629927076255,446.5846584556243,446.58736177378177\n3kgp,3kgp_477,48.22445489476675,195.41020337240084,477.40893693508366,493.9235142492619,493.9264856578934\n3kgp,3kgp_483,46.28576419011956,193.08966702693192,418.4549253152731,442.52247101192484,442.52553158302266\n3kgp,3kgp_491,44.48923724493839,202.84476864326044,410.12648569296135,421.39725664258714,421.399357383335\n3kgp,3kgp_492,47.88097083332093,214.6102233259943,501.92747565265597,514.8042524653409,514.8086943144234\n3kgp,3kgp_493,38.12789188338747,204.88075162839695,403.7117152499256,419.4753428236668,419.47831539054306\n3kgp,3kgp_496,36.604834708717156,184.19996716045787,418.3869058248188,430.9351903662444,430.9385194407156\n3kgp,3kgp_5,71.84839107359184,275.08797092097444,575.5275890782603,600.0703304354818,600.0738314316458\n3kgp,3kgp_504,20.32344800086096,166.44885703299767,432.89363405286707,453.53270698202704,453.5358255188687\n3kgp,3kgp_507,23.50009590049571,172.8960813078023,416.19865833333455,432.74301731176735,432.74656525553604\n3kgp,3kgp_511,12.485181866188748,103.86915798596006,382.5894350262738,407.38016611086834,407.38283596255883\n3kgp,3kgp_523,35.5117901608382,198.02980051271592,480.8563109402384,510.7936216270149,510.797442036711\n3kgp,3kgp_524,2.3830286474318405,80.47789935999823,328.83827199058504,348.6780247123351,348.68144256515495\n3kgp,3kgp_528,15.286738607187768,108.21333173232462,420.4319717838417,444.3526360594087,444.3554190444738\n3kgp,3kgp_532,17.5488761402435,119.81097224291419,404.046313935999,426.5182363108099,426.52088271047097\n3kgp,3kgp_533,12.442798098690602,104.30491991316967,429.032462677878,455.67311700058593,455.67628266056363\n3kgp,3kgp_541,33.03214116812112,182.6366000690528,453.30997986167364,471.47735261900294,471.48069024352736\n3kgp,3kgp_547,9.347696969600388,88.19498894205232,329.21109924179166,347.8984721206783,347.9022556513949\n3kgp,3kgp_551,20.173155450322383,117.25275230120306,356.54244931084054,376.20275510826707,376.2064156615428\n3kgp,3kgp_568,23.152547268841932,165.52788027283617,409.9152019043754,425.5687879784182,425.5721957358771\n3kgp,3kgp_573,17.503890239676945,111.50526851381227,339.4229072975635,357.59463309742443,357.5977877935777\n3kgp,3kgp_574,28.158480621874954,149.6433831088691,438.80115914610093,460.2478349930832,460.25108872748336\n3kgp,3kgp_591,12.649078928086478,115.87115494077541,377.4448303192037,395.58104613464894,395.5834968511496\n3kgp,3kgp_596,21.50265997664767,134.23197456345235,449.8693386810787,473.8707641591207,473.8756427212763\n3kgp,3kgp_600,8.949585477646666,86.45421289382976,343.1451916314429,356.5828036937725,356.5866876732665\n3kgp,3kgp_610,50.05104535317057,179.0650948596214,342.1466307494759,354.116257741745,354.1189352492163\n3kgp,3kgp_657,42.98799474772719,208.00761631431763,465.93871421872166,483.18997496622075,483.19560442975575\n3kgp,3kgp_661,54.22320189846768,241.56773076547293,553.440884812603,566.3456049704704,566.3508586065752\n3kgp,3kgp_687,16.94977537378773,121.58207607382846,412.4519051611052,432.7502884427093,432.75363439737407\n3kgp,3kgp_693,7.907246545912139,91.15158400624071,335.19434022115934,345.463297700234,345.4665799931407\n3kgp,3kgp_696,29.423977779579467,173.04548585388127,459.5863998883834,480.3782457531148,480.381705113959\n3kgp,3kgp_700,21.97832710403211,155.85121610272296,410.8088253186591,431.2671591968313,431.2707476422965\n3kgp,3kgp_715,65.22252611219112,278.4168944836827,541.2799787696443,554.3652205819395,554.3693441979217\n3kgp,3kgp_745,51.65405914679851,213.8055170447552,508.8769213237041,531.7331374810511,531.7365453751713\n3kgp,3kgp_750,56.85898502395805,250.16838366532988,508.006720959789,528.3165963666321,528.319413395244\n3kgp,3kgp_757,48.38770676329076,227.67749298012026,513.0881717835633,541.7618321731012,541.7654477833477\n3kgp,3kgp_763,26.728093743630957,170.0766266775559,396.7770452370711,407.557794857913,407.55991228899876\n3kgp,3kgp_768,39.15160715099506,182.65623040568465,419.0675687226777,435.14790451619587,435.15053077858795\n3kgp,3kgp_771,3.0315258642059657,38.159120705342055,188.13128277597727,203.41358030848625,203.41460696400966\n3kgp,3kgp_776,3.5870532703560216,49.8121295481355,234.54800199151097,242.5739078956504,242.57494452367163\n3kgp,3kgp_777,57.23516108498539,251.91222722152338,513.2330947008473,527.3234880125375,527.327457449183\n3kgp,3kgp_778,3.6907976644215856,50.169022267888224,231.35169183237312,237.42880780571488,237.42983055286575\n3kgp,3kgp_780,25.662326982310656,135.32833318076231,454.5009352410537,488.06536601354094,488.06838096377805\n3kgp,3kgp_782,2.958380467824574,39.65007131703651,194.7226451494124,209.68546238808975,209.68659669338993\n3kgp,3kgp_783,42.39030489988704,218.05278197848716,480.0693608696579,495.31002970010655,495.313296474918\n3kgp,3kgp_784,1.225217439818963,39.294973814708335,220.77042250316222,232.41544692428755,232.41683935603183\n3kgp,3kgp_785,1.2839483512137941,41.48331425666266,227.1959026820199,235.1936472120536,235.1950915447273\n3kgp,3kgp_786,1.2239514355435912,40.25300429652398,229.21250053667313,237.5410494311263,237.5425055781222\n3kgp,3kgp_787,40.91359244581292,214.88704044642725,478.30977089969747,489.10980773586857,489.11389053942816\n3kgp,3kgp_788,1.2349013242994724,39.251295984240066,232.1708583620646,238.36352990557376,238.36498128232532\n3kgp,3kgp_789,1.2225349001162564,40.00505644872051,222.5408426954693,231.79752171151145,231.79893337104318\n3kgp,3kgp_790,6.943741547059975,89.94242524721723,357.7638971523032,381.42032958113856,381.42403412506746\n3kgp,3kgp_791,1.0690563349261513,40.124887396723935,221.37384613798503,231.7890559270047,231.79047047606048\n3kgp,3kgp_792,1.1978925080564204,39.39647684468984,219.09361510090028,229.0820199266423,229.08341624483688\n3kgp,3kgp_796,1.4695921675880377,55.325427829200265,285.4704095421174,295.0962936420724,295.0981141828578\n3kgp,3kgp_798,1.3533664976072346,43.11372776073159,243.32641152886495,257.4528877139418,257.45446589829544\n3kgp,3kgp_799,61.88117824863183,230.40707564027352,446.79337386394093,455.9397830044685,455.9427708501032\n2wnc,2wnc_127,33.57511177489851,308.6328824029786,1130.4998980586217,1156.4813172581848,1156.4818215096332\n2wnc,2wnc_168,25.687596782478707,274.1597497280238,1017.4098652001713,1047.9357078554654,1047.9363896333862\n2wnc,2wnc_267,32.96742306174931,290.1698210025962,1095.326814516158,1129.7990452719594,1129.7996321239061\n2wnc,2wnc_302,35.300150727540476,321.1832599186748,1178.9485162670514,1214.4585222554279,1214.4590711033873\n2wnc,2wnc_35,24.717347579002354,271.92916034375094,1041.3650642705115,1096.1392843857286,1096.1393508872582\n2wnc,2wnc_370,37.55534435291473,315.99135253380007,1181.358822407879,1217.7615870919099,1217.7619036141114\n2wnc,2wnc_437,10.834075665515789,202.40892075239597,837.0650869770876,874.662210558352,874.6622132070192\n2wnc,2wnc_458,17.869590332164975,261.7135512145973,974.9046205321317,999.1286058259002,999.1289723082987\n2wnc,2wnc_473,20.879325807801603,242.44788956124808,1003.7891278184269,1034.052798611263,1034.0530514466755\n2wnc,2wnc_474,18.45759376603416,289.5069323006125,1124.605680543236,1167.4573520999807,1167.4577527053098\n2wnc,2wnc_48,34.30824091991019,302.3009049131522,1126.2275937118166,1154.187261585544,1154.187645761905\n2wnc,2wnc_498,19.426188877234942,262.15956632911946,941.7713468690449,981.7094760891932,981.7134903665833\n2wnc,2wnc_514,29.44407137757205,309.82686331709846,1207.4300617066485,1243.378897042252,1243.3791136562709\n2wnc,2wnc_519,23.45705765782275,272.39104696716794,1160.5504674554406,1202.9898955137471,1202.99015736683\n2wnc,2wnc_525,25.375205126410325,267.8416450848275,1059.052788485433,1111.8986974555337,1111.8991916986906\n2wnc,2wnc_527,10.447960656969398,190.87798341694054,1016.9304703361208,1083.429729801527,1083.4301579361013\n2wnc,2wnc_532,25.8828876624926,305.9357344372703,1184.7640716778928,1230.6887441613642,1230.6895799003332\n2wnc,2wnc_536,18.74772789682355,250.6904880455903,1020.6481875424597,1062.910170897826,1062.91270597436\n2wnc,2wnc_537,20.220015015730002,231.6943423329247,1025.8961011202105,1054.0895547418909,1054.0900201656025\n2wnc,2wnc_538,12.108913612490182,174.16937640256612,1026.0493559477704,1090.9273973466381,1090.927559402645\n2wnc,2wnc_539,27.373469985649766,244.5124094994213,1113.9611636871555,1164.9560057237113,1164.9575344645807\n2wnc,2wnc_541,12.133354770342963,146.2458243351023,936.0322894680696,1002.0009663333526,1002.0039302559692\n2wnc,2wnc_542,8.281072951987495,167.14333446205603,1022.9354124724714,1093.3045022639433,1093.304727760383\n2wnc,2wnc_554,14.124448305584728,216.29621294571353,1065.3643262399219,1125.830533034777,1125.8305350568598\n2wnc,2wnc_557,20.205286397773847,219.78181902824034,918.7077219943088,960.8252377514697,960.8261110810748\n2wnc,2wnc_558,2.4827942964569782,97.42601835399819,849.8326848112704,886.1508542333211,886.1509266137447\n2wnc,2wnc_561,26.380490787896047,266.2680065361336,1058.5753117057686,1104.7782808853979,1104.7783109366776\n2wnc,2wnc_564,2.0371235654798485,79.69856788179497,861.7486435932675,910.4827659885123,910.4828825023495\n2wnc,2wnc_575,4.6601827576243435,113.62731695356877,917.8029768437636,968.2195172469873,968.2205872093358\n2wnc,2wnc_578,10.082112974606746,186.34218029145865,892.5282640992822,923.6584202081121,923.6584406797904\n2wnc,2wnc_582,5.8625035953413365,140.13949858100221,933.0518283502937,981.6999097627979,981.6999640401577\n2wnc,2wnc_585,15.560234261947,229.66747758833753,1133.2070049308772,1188.1076444257103,1188.1108508318182\n2wnc,2wnc_587,22.742839729501217,276.99435258958,1183.3489267502853,1234.1393797229389,1234.1395268324038\n2wnc,2wnc_589,18.010022504890852,215.2711394365137,1072.2770223950408,1134.163029588776,1134.165242131322\n2wnc,2wnc_594,9.931033899421388,214.73448540674593,839.0312815047072,860.2832331936069,860.2832501193777\n2wnc,2wnc_595,21.60977230244414,266.7436524620384,974.6049147776025,1012.553409919332,1012.555641186565\n2wnc,2wnc_597,12.814721767989992,148.72565162458676,921.18874053235,980.0680808149483,980.069123943039\n2wnc,2wnc_599,27.896469315438953,304.02707823237273,1166.1482497132308,1224.768520031337,1224.7687749764912\n2wnc,2wnc_600,21.292488608560088,248.77133921538774,1075.5340735120467,1139.0522279623485,1139.0522592562152\n2wnc,2wnc_632,29.399818630661244,276.15771363801076,1041.807435184315,1095.1694614137689,1095.1702876151483\n2wnc,2wnc_636,11.785079775393964,143.82073771531643,876.3904168193701,917.9408563720557,917.9408950981195\n2wnc,2wnc_645,11.47067871852992,188.0483036954165,1083.0720846563415,1135.2294209169766,1135.2319263725528\n2wnc,2wnc_647,23.239450133614135,288.3724887065691,1091.1287878373585,1146.066241700208,1146.0667677653682\n2wnc,2wnc_661,16.460577231865237,175.4236928323537,860.2407706239537,898.5071404068683,898.5079573217428\n2wnc,2wnc_664,23.290294469467685,246.7743186887842,1071.419249921745,1120.491659011666,1120.4921623885434\n2wnc,2wnc_681,14.014012155406151,202.61296409114374,1045.1134922582276,1087.2148190593246,1087.2148235238808\n2wnc,2wnc_689,17.135797830256877,223.64162037836985,927.4037707733979,967.8546935686556,967.8547875012702\n2wnc,2wnc_702,33.025830283522254,300.1604141277734,1121.5211943673105,1155.0547405333023,1155.0552088845707\n2wnc,2wnc_717,31.726410591262184,303.50098386023194,1097.6701459060691,1148.196982598652,1148.1974699810187\n2wnc,2wnc_722,9.088735206145023,197.71219564058748,782.5771029265543,816.632639262844,816.6326453654552\n2wnc,2wnc_723,23.186270887044245,251.26744092978143,1018.8479984975951,1055.0709945360045,1055.0710093302591\n2wnc,2wnc_728,10.503269943546329,144.2709449779128,920.2182796121604,965.3494171810096,965.3497516804862\n2wnc,2wnc_732,16.921828991344572,213.50475497966073,1043.8402902471337,1091.7421856310484,1091.7455556506925\n2wnc,2wnc_734,17.514168120775928,182.68264409489646,990.5610464717493,1045.8698280511703,1045.8714099659983\n2wnc,2wnc_737,33.086972044945696,301.31776869114503,1128.4558217618355,1171.583893589965,1171.5847245095454\n2wnc,2wnc_741,7.338110893122523,194.3292015076574,728.8824884262308,757.0881986639965,757.0882039353221\n2wnc,2wnc_744,21.959770256250316,248.27295590608077,979.143581818012,1029.081422917904,1029.0816706457215\n2wnc,2wnc_747,12.216206607143421,231.12639604732448,931.222957463359,970.0309066477998,970.03090809577\n2wnc,2wnc_752,13.457497562427438,214.98176712599434,767.6354839232201,801.336522010358,801.3368487880977\n2wnc,2wnc_754,2.9819402388111445,86.51934711715452,688.081354461482,726.3867560298804,726.3867577076393\n2wnc,2wnc_755,16.492916710168643,243.3280422095685,996.0644784313506,1040.9196439756106,1040.9196468138991\n2wnc,2wnc_757,12.895115007627703,194.932367567295,823.2274517623233,863.0942938059633,863.0942975727945\n2wnc,2wnc_760,4.554088529184803,148.00419192801573,921.9617692961817,976.7364869214448,976.7365285899909\n2wnc,2wnc_763,11.886711356728423,126.91747014157934,853.4011780772828,899.6757084590506,899.6757399706551\n2wnc,2wnc_766,4.706961650194541,117.72226830805825,740.2417218337014,786.0376409097584,786.0376424921502\n2wnc,2wnc_770,5.537262764209568,141.6344253051745,834.1987696949712,896.7314138594901,896.7340960306536\n2wnc,2wnc_776,16.898974130435462,185.54337517258273,923.2068463334554,966.3839823036478,966.3842187364736\n2wnc,2wnc_779,16.72080911538031,223.5645508000004,906.3284424943138,953.0740308617397,953.0740761683547\n2wnc,2wnc_780,22.249107653420715,228.71982087194942,942.8747536243,991.7592503868565,991.7592644107959\n2wnc,2wnc_781,8.05696535700667,135.67118605187238,645.566881753093,684.1406917995679,684.1406925773252\n2wnc,2wnc_796,36.70387949816496,306.1559654909363,1150.3040154001317,1188.6606454842222,1188.6607070965465\n2wnc,2wnc_825,28.583983486686396,301.8718408466171,1125.5411203747005,1168.6625660141315,1168.6629948189302\n2wnc,2wnc_828,15.102059020798817,235.76227408489711,949.7783567937831,1004.0205009356935,1004.0206669274061\n2wnc,2wnc_848,28.59664033716883,273.1758421056262,1090.3761662193604,1144.0820386494138,1144.0820698324478\n2wnc,2wnc_849,35.01525142504471,298.30513994185225,1100.4846015644223,1146.1754218121266,1146.175450063841\n2wnc,2wnc_853,13.094594664564193,147.09984893648033,862.0372342764706,906.659821778873,906.660370969049\n2wnc,2wnc_856,19.57406616806298,173.88044505773232,965.8350476783189,1009.5152701275146,1009.5156231803372\n2wnc,2wnc_860,33.69441080593511,319.26453025902106,1157.41799428944,1202.0340769599866,1202.0342364984326\n2wnc,2wnc_862,9.473054773304451,127.02133516032802,902.9397509648222,947.1237387667301,947.1252372904383\n2wnc,2wnc_868,23.676544769163378,236.25544019588136,1045.913202131355,1100.1958310018065,1100.1958482822608\n2wnc,2wnc_872,12.323519613283553,214.55646416779322,784.488992020434,824.6698216813642,824.6702161374427\n2wnc,2wnc_874,21.15359653559559,238.53996232317488,1035.7540120252052,1069.38977647137,1069.3899657053103\n2wnc,2wnc_879,5.425535554755332,125.56948426848211,978.966532540312,1041.6775253681706,1041.6785639182294\n2wnc,2wnc_891,38.29439329246476,309.3299031133237,1148.0932243866537,1185.6936912863769,1185.6939372712159\n2wnc,2wnc_903,32.63032984447914,293.1968108091702,1110.9475552138624,1146.694109271826,1146.6946081901565\n2wnc,2wnc_915,27.20827984139889,269.2033319591774,1064.266369912784,1099.2449006015247,1099.2451281794195\n2wnc,2wnc_928,30.34935627953679,286.23740579457456,1107.4387928958363,1138.2067070230805,1138.2067229342636\n2wnc,2wnc_951,26.37681865229098,274.19733333873046,1052.9308317982159,1109.1133731238726,1109.1134152675452\n2wnc,2wnc_952,33.08791049049929,296.0018703730279,1075.9684958892806,1107.4061404016054,1107.4062259138361\n2wnc,2wnc_969,36.248030009309865,321.6285699329601,1160.9355653750322,1201.1317356025431,1201.1321186889165\n2wnc,2wnc_972,26.619929798821797,284.5478900918436,1071.4647212902717,1126.4720943685845,1126.47227571649\n2wnc,2wnc_981,35.9369209006146,312.87735507010274,1151.7341720282889,1187.812260346702,1187.8127376843863\n2wnc,2wnc_99,34.693944606258135,301.64099494878263,1097.260762329209,1137.465896507047,1137.4659286474039\n3g2n,3g2n_117,104.20546405750376,538.0319110098517,1254.6354669182554,1273.9340583958233,1273.9342053586774\n3g2n,3g2n_197,134.57805560458004,628.598485922642,1353.0606577418384,1369.2893992836625,1369.2895005727742\n3g2n,3g2n_244,29.424454807111086,295.0579928615705,832.4454780609495,853.8179361147094,853.8179986875303\n3g2n,3g2n_35,129.83800421338748,638.9709696989302,1394.1732262510918,1414.1717955261377,1414.1719279601775\n3g2n,3g2n_355,118.87323057028917,564.4420057945207,1275.7814278872522,1300.0054088647444,1300.00555566587\n3g2n,3g2n_40,88.71082165055672,478.01561678796804,1142.4263547423711,1158.2948662396116,1158.2950156221948\n3g2n,3g2n_401,60.657208970557335,386.4533306664083,1008.9538174072172,1035.9489285665784,1035.9489728337524\n3g2n,3g2n_405,88.64395548025247,508.6905193264693,1190.1462522466595,1210.9727883097862,1210.9729046551895\n3g2n,3g2n_423,101.44764676808475,540.7246258320084,1279.482110597525,1300.085499662686,1300.0856539132922\n3g2n,3g2n_427,50.151489621459895,312.5444510172003,815.2458516782735,824.3852060736574,824.3852812090678\n3g2n,3g2n_442,29.89516845225248,231.23312773689676,773.6727905719845,793.6684849328691,793.6685592926877\n3g2n,3g2n_450,18.887720766426366,194.6826543379782,748.1230779773052,771.1876161669071,771.1877883312285\n3g2n,3g2n_455,36.46513812435505,243.5634281486176,773.82200151015,788.8585948553962,788.8586584010355\n3g2n,3g2n_461,28.74386509684386,241.62983281352533,779.0514871764213,797.8590560998681,797.859124552175\n3g2n,3g2n_462,19.98711294965301,205.85627080633063,736.4778662037057,751.5162425028017,751.5163710083216\n3g2n,3g2n_475,47.58231834471846,318.3528869084195,852.4308462565655,866.9129124783851,866.9130094077894\n3g2n,3g2n_479,25.47959752219715,181.86773843924303,728.5510972977479,748.2862638727144,748.286271084629\n3g2n,3g2n_481,44.00026830124602,331.8868469766907,964.3243340448125,991.7660811205986,991.7661217567891\n3g2n,3g2n_489,15.796269089643854,208.71080994261465,776.7721045755748,800.5029930817764,800.503129042022\n3g2n,3g2n_49,131.03475327353178,658.613800400344,1384.3458022880432,1403.626321020727,1403.6264266316973\n3g2n,3g2n_491,54.465257851956586,351.2515971685464,961.6874987749362,979.4531714382679,979.4532525900935\n3g2n,3g2n_495,55.23594577757494,335.59756408750894,996.090261274039,1027.3595108736683,1027.3595819115776\n3g2n,3g2n_499,30.892613108694533,218.3083204968008,771.115141462571,789.6631485116094,789.6632439161637\n3g2n,3g2n_506,79.16449720255288,365.8435597644872,824.9752143827817,836.9200365247261,836.9201003391315\n3g2n,3g2n_515,41.05541882708884,289.3928738306034,860.7886492577318,875.6190700121173,875.6192104602086\n3g2n,3g2n_524,22.00595730996978,250.77288208035185,774.7019541773772,788.3445529982853,788.3447011683794\n3g2n,3g2n_546,27.81994778450625,268.754425810622,807.5212552863878,827.9646814160938,827.9648668533313\n3g2n,3g2n_547,32.13474921687323,257.46646862239436,841.5082604858395,861.2171047280206,861.2171476786315\n3g2n,3g2n_55,127.65197259172106,619.714367042907,1372.167810332381,1394.8348885781734,1394.8350321267258\n3g2n,3g2n_556,41.98912877733672,329.2033489588895,969.1183307917947,989.9429941380947,989.943087906448\n3g2n,3g2n_563,32.327690999581655,287.3011492440342,845.7495246820149,864.1575872871292,864.1576170759635\n3g2n,3g2n_574,36.224821370786366,318.80415692770964,915.5654686690253,941.325881790902,941.3260345928524\n3g2n,3g2n_576,38.58871237033508,266.4357989098815,814.9508512911071,837.173345802614,837.1734438084452\n3g2n,3g2n_582,25.342305729287325,227.69417906663907,654.593411093633,665.8660477223555,665.8661260285012\n3g2n,3g2n_588,56.46511393973539,335.29277044604237,994.9848887525543,1016.9609017504575,1016.9609238382144\n3g2n,3g2n_599,28.93255354132311,234.88585355292315,818.1159289785447,834.9871880895156,834.9872085917667\n3g2n,3g2n_630,29.768988927815716,235.37192957469045,737.2323049830566,765.3865591792652,765.3866469843285\n3g2n,3g2n_640,20.140085696122586,217.8123362382869,691.4430054507446,713.4289890671461,713.429056833825\n3g2n,3g2n_642,32.89305906696127,259.0049989934572,759.4351715978717,770.1744869881044,770.174489721229\n3g2n,3g2n_645,19.232659558112363,206.19930150634693,796.6377321220918,812.4097772845652,812.4098263631471\n3g2n,3g2n_647,21.632366723382262,222.6341509395968,673.2330769436595,693.7608885524462,693.7610197100624\n3g2n,3g2n_656,37.653950024153346,312.1852085041965,911.6165744112892,934.0493413624921,934.049475990595\n3g2n,3g2n_658,36.67779136091127,250.43891951007126,827.4705656000245,854.2737471163019,854.2737530721545\n3g2n,3g2n_666,8.965477102337738,165.46319968662476,714.0492369872993,734.4520181618321,734.4520261182897\n3g2n,3g2n_674,29.841377221565537,255.91571127310013,739.90793991589,752.9288855941255,752.9289528871337\n3g2n,3g2n_675,21.504872008166153,212.44933214812144,746.5960829441084,760.0966216136355,760.0966492152197\n3g2n,3g2n_676,33.842981468438396,274.292180194467,850.8488240117232,863.0283903079869,863.0284078088863\n3g2n,3g2n_677,40.30470660044969,315.87172374452376,890.8258667319061,911.0512085982747,911.0513302802653\n3g2n,3g2n_678,54.7128787061912,330.99631775871813,971.5270212313343,1002.0445813135086,1002.0446413694702\n3g2n,3g2n_681,34.45723788761729,284.8346499839313,803.5273411030463,817.3291787274571,817.3292556755443\n3g2n,3g2n_682,37.44694435238381,272.18861046030673,885.7021889367508,908.1761827401175,908.1762755489087\n3g2n,3g2n_695,28.15930343119143,222.4725499763287,637.6830875922421,646.4372373451488,646.4372552615558\n3g2n,3g2n_77,98.95681715457789,519.1899745557004,1211.7109739908144,1240.0569713021443,1240.0570246370683\n3g2n,3g2n_772,38.65390039887276,217.16552602264545,735.3076782224533,762.452918839462,762.4530541173416\n3g2n,3g2n_773,33.46191474912217,227.48318588719252,786.2630377026047,808.5003243844352,808.5003397827231\n3g2n,3g2n_774,33.60857374741444,227.69407743815188,777.3780780833368,808.391792625007,808.3918076696573\n3g2n,3g2n_775,36.07678604607892,221.40173177602176,753.6495843656244,781.7934208614814,781.7934401371178\n3g2n,3g2n_81,95.41046612633326,536.3918130678315,1210.6117572814123,1230.9264261194483,1230.9265808253363\n3g2n,3g2n_870,92.14282870548278,522.9102096797394,1260.3954251892744,1285.3225154578447,1285.3225302699636\n3g2n,3g2n_922,94.41053022396709,481.7285607580673,1126.2210783937353,1146.9845617504875,1146.9846835702049\n3g2n,3g2n_93,57.26592507205744,357.20714130032616,983.2696329082468,1006.3911168686939,1006.3911596982904\n3g2n,3g2n_967,110.17960064048155,536.1290279019125,1265.8039522712936,1286.5625006999815,1286.5626384072257\n3g2n,3g2n_97,120.51204291419477,608.0216122844123,1332.0831614053477,1356.2094623609935,1356.209561791167\n2qe4,2qe4_165,54.2314704442102,389.23249982896493,1079.2594783180446,1101.141335025423,1101.141344508019\n2qe4,2qe4_249,58.773195928804405,385.00177955847164,1077.893047368196,1109.2709606812161,1109.2709711172647\n2qe4,2qe4_3,54.8329259007482,387.1579075307782,1087.1409416417487,1105.9879843551737,1105.989592381762\n2qe4,2qe4_309,53.18108870334535,395.1206283866313,1106.5494956848352,1129.9254212906965,1129.9254323820885\n2qe4,2qe4_422,51.47001700399239,356.6351025107446,1084.9005886129983,1118.9509872755764,1118.9519309053258\n2qe4,2qe4_435,40.97824093932411,288.2240560652373,821.8701389236351,843.8167574246556,843.8168785304939\n2qe4,2qe4_441,35.83821921522558,330.08500169045925,895.5358025488553,907.1856286527124,907.1856644712636\n2qe4,2qe4_446,39.99730395409001,309.9163975600245,869.8670407242901,895.5916861182573,895.5921721810025\n2qe4,2qe4_447,37.66270149294118,337.3382603195747,896.8282877145533,908.2508201325304,908.2510316727127\n2qe4,2qe4_448,46.17312029435764,355.6950059530461,1012.2988558836734,1025.3140102404807,1025.3156382194604\n2qe4,2qe4_499,35.643596309407265,297.6179461248505,899.2176266498722,924.9547865930464,924.9549035046552\n2qe4,2qe4_500,33.84578593823786,290.9716676309116,847.057190452175,861.0510429170967,861.0511221058979\n2qe4,2qe4_509,45.0420260400515,375.084993981352,1096.9121112035455,1120.9649008645613,1120.964918215151\n2qe4,2qe4_551,44.253158366091675,363.00196030316897,1032.666950285051,1054.894116527498,1054.8957542483831\n2qe4,2qe4_552,48.73729171588449,392.008081972528,1097.4369415648514,1115.3209138751793,1115.320921541522\n2qe4,2qe4_574,40.625786380583364,350.1014809839525,1079.5411785630895,1099.4498380366383,1099.449939338217\n2qe4,2qe4_597,47.44449568294661,365.03235583229406,1082.3509354174955,1104.6678064192402,1104.6678122306016\n2qe4,2qe4_611,33.597341535723885,265.7712516538748,815.2994692231769,829.8426884777857,829.8428033653727\n2qe4,2qe4_629,43.901923048631616,372.0159365093654,1194.8623283064028,1235.7244230587191,1235.7244331911652\n2qe4,2qe4_689,44.53251356840497,364.4017227593248,1174.848259345053,1205.7748120250635,1205.7748250216514\n2qe4,2qe4_693,38.47979709959377,358.1562829747608,1141.1060200926725,1173.0017274167687,1173.001755949341\n2qe4,2qe4_694,29.72788483574692,252.1500176990632,856.3574602239376,875.0167604282183,875.0184134665695\n2qe4,2qe4_698,42.34145793048044,342.33645632882525,1057.4162492213056,1084.1845550415987,1084.1847028888237\n2qe4,2qe4_705,48.06783948992596,368.2260078031384,1050.9525384088129,1073.5726584537033,1073.5726667187496\n2qe4,2qe4_718,54.90487471921974,387.1628533420232,1075.0084936566589,1094.9308733138146,1094.9312739168838\n2qe4,2qe4_741,39.320343028291965,291.3781047430459,872.2377121522097,887.8718313468561,887.871999201351\n2qe4,2qe4_750,23.845772533039987,289.18085984744863,1052.1105751902874,1088.465686854062,1088.4669588663976\n2qe4,2qe4_754,22.7221901436832,272.0875627453664,1097.6601031105236,1130.9706898267134,1130.9718560083966\n2qe4,2qe4_757,18.02813749342418,278.3501064958767,980.0857634035289,1002.2085379658317,1002.2087845267902\n2qe4,2qe4_770,23.970120020488036,284.7958230799419,1065.2593722255108,1097.6826463758407,1097.6840921774447\n2qe4,2qe4_771,24.95823147713241,290.35074009885125,999.5911139537895,1026.7557621415779,1026.757003151781\n2qe4,2qe4_777,35.799845605864405,360.913573810342,1041.2071209156488,1067.2304692413086,1067.232451954734\n2qe4,2qe4_779,35.53828731095094,360.95496932492927,1026.2983105362766,1052.6540617658097,1052.6564896198936\n2qe4,2qe4_780,39.75103411105846,317.55254482672296,1057.4474479024223,1080.663630974714,1080.6651045955539\n2qe4,2qe4_784,31.415028688490363,291.6137841208897,946.5725761718113,967.877089761115,967.8786631781937\n2qe4,2qe4_786,38.96136774723708,347.2536256122141,1073.2732434203742,1090.9734956727953,1090.9763483228348\n2qe4,2qe4_788,36.32546203807307,299.6345283156404,1086.7767763512495,1129.306119979216,1129.3071836036897\n2qe4,2qe4_789,25.80543398355165,310.5234506091212,1006.7434044895673,1038.1609149891567,1038.1648105241175\n2qe4,2qe4_79,55.13123018976201,389.82883802554903,1075.448604354112,1095.0358373041447,1095.0360649812646\n2qe4,2qe4_793,36.54686076210055,350.9393864069612,1025.7221973101255,1045.4838241268637,1045.486506014382\n2qe4,2qe4_796,36.096188870106005,361.3198476137328,1018.6393349658307,1043.2795053236107,1043.281770520434\n2qe4,2qe4_797,36.31933701852851,285.097382390917,823.5404902308826,837.3663861545698,837.3665205456101\n2qe4,2qe4_83,55.446641997446854,403.8155853568701,1115.530266912898,1140.7904642240112,1140.7904683997706\n2qe4,2qe4_832,18.65823014962975,297.1834682864351,1029.4901615979757,1054.1590516016558,1054.15943804273\n2qe4,2qe4_841,53.46679246605981,396.529066823378,1130.7257965098781,1157.7255787513952,1157.7255876893066\n2qe4,2qe4_850,31.670626494107026,335.6149356844533,1004.536792482068,1026.6849541270035,1026.6903635143262\n2qe4,2qe4_875,45.39400586110116,371.9394085053679,1111.6759500612868,1132.872163272223,1132.872332169742\n2qe4,2qe4_877,25.28970854414533,268.70960604188315,1019.8875379797252,1044.7499664882575,1044.749972134447\n2qe4,2qe4_964,52.42206137620459,388.6714453194722,1088.463219279994,1114.277579448194,1114.277589524175\n2qe4,2qe4_977,44.02721738120649,357.7477899126819,969.8646345542859,989.2267199232679,989.2280432014726\n3twp,3twp_105,1.9853141047663123,53.75867427052509,264.3573030460519,281.40260320724076,281.40411720594665\n3twp,3twp_108,4.038024460706518,56.30086825210349,277.18348587978517,290.0687444162127,290.0703626052567\n3twp,3twp_121,3.8445063126367396,56.41924714913893,272.12925227324826,279.7955407674502,279.7971684178465\n3twp,3twp_126,4.560337817811406,56.624045051664936,282.7152668454381,291.4925147819532,291.49403354281327\n3twp,3twp_14,9.494766297676613,82.78893449492827,331.8313838177602,347.8744394916444,347.8770116893384\n3twp,3twp_147,2.5704301629497532,52.150655991839464,266.85035868662885,275.0007831614841,275.00228964042924\n3twp,3twp_152,3.967261248449151,54.352471926878025,266.8444071457383,280.5869605930785,280.5884296846273\n3twp,3twp_157,3.0177761653548214,54.078960894312445,267.07482296906056,284.4803374218641,284.48182048916783\n3twp,3twp_160,2.3631757663814947,57.44171621738059,272.4687364900462,287.6154037263319,287.61692810158416\n3twp,3twp_18,9.558212135504776,74.4362455405568,329.6968690468495,345.34850420859266,345.35092113393597\n3twp,3twp_198,36.94334728696931,171.49672919254553,509.3449106158927,527.4254231125404,527.4311556378693\n3twp,3twp_22,28.763366933954483,134.29213629447403,442.81639706403126,460.8980079815684,460.90168972169675\n3twp,3twp_226,22.665259571571347,124.10445557503802,449.0479193702731,464.7501841996585,464.75410035435584\n3twp,3twp_321,36.38720193763325,175.5714726847046,555.7518551412877,573.6074836166924,573.6126320265147\n3twp,3twp_362,36.82436893112109,172.00197051758056,558.3138144645692,592.4898484858898,592.4961577783655\n3twp,3twp_381,39.79075268908696,176.6490506102889,540.4444005653622,558.8961216651678,558.9012843109751\n3twp,3twp_413,3.7201082618079555,59.470033772203,335.3597944697724,349.6919965342448,349.69583500246455\n3twp,3twp_419,11.737310515907707,80.95234613846671,427.47433010121085,447.801281043504,447.8046101869911\n3twp,3twp_422,33.075383392816775,155.41773795079314,475.4826230480951,495.10865483012753,495.11459801254176\n3twp,3twp_440,13.501134707596174,75.70675160735402,389.55727552416187,411.1771207746677,411.1799296353967\n3twp,3twp_445,6.1743949469597,62.54596050209503,341.31666191695075,372.12707426339733,372.130918060956\n3twp,3twp_454,3.6537389997913388,58.82577044916521,364.1715631958036,385.9876828777266,385.9888562214021\n3twp,3twp_467,33.89380265024333,161.0525835565003,506.5215857219015,528.9823300027613,528.9885970117117\n3twp,3twp_481,11.29832414382129,90.02709807135209,425.2842299487783,451.08747171074424,451.0906153163199\n3twp,3twp_487,2.7822516461955007,54.85294424707618,339.68110000448894,350.5514505548189,350.55371460004625\n3twp,3twp_490,31.313493665686728,167.2139527216472,533.9554074267462,558.0143789637818,558.020962811951\n3twp,3twp_497,32.51164186496637,153.74753730935737,507.6454130156458,536.1192371380616,536.1247877118603\n3twp,3twp_501,31.283308752191445,160.06188484214996,544.9256315244503,564.412321368132,564.4177077548115\n3twp,3twp_510,35.488914898996526,174.6604726030231,582.5339314681653,601.5636583923003,601.5694092035808\n3twp,3twp_511,29.637346141499656,141.91334775730633,460.13880273846377,478.9322565921365,478.9371450814364\n3twp,3twp_532,16.748468469338732,114.57949811653053,388.33108626830256,404.41585220528754,404.4195521606437\n3twp,3twp_533,25.671338613740044,130.32533074301818,532.4589482254726,551.6989353001362,551.7025026858628\n3twp,3twp_536,29.398881532778383,132.40314130931836,447.1993174967768,473.9606787584767,473.96541168868964\n3twp,3twp_540,10.284853884333943,76.04234683952855,378.40357325407024,406.6777583708764,406.6807062987631\n3twp,3twp_547,32.54917069161204,144.87051396851376,550.2847079819053,582.5978531097719,582.6031582780749\n3twp,3twp_560,36.391230851008935,174.36636993244022,548.0254942282598,574.0780879298592,574.0840564347814\n3twp,3twp_567,29.812572310748557,145.3643709957132,467.27899499159355,490.6125174265959,490.6173222981573\n3twp,3twp_569,16.460007031031495,99.27449368654835,430.53729806058476,451.19997715503666,451.20418145723653\n3twp,3twp_57,13.463711767220694,88.29991490350186,380.94348263667723,399.35690580736497,399.3586788249743\n3twp,3twp_574,29.301402467895656,151.73646716278952,502.3435098700408,516.4033598693559,516.40849859977\n3twp,3twp_575,29.455375383227317,146.40550371720659,483.05905620597184,498.1606904817438,498.1655312821504\n3twp,3twp_576,14.061332639078714,85.1447613297299,386.40811601688927,405.4976426613509,405.5013562699509\n3twp,3twp_578,25.715497026220817,134.8667218590996,520.2081286676139,549.3866049157742,549.3909988141778\n3twp,3twp_596,2.9992301338347986,46.42190193783391,311.1678468618058,326.2372183671107,326.2395381972072\n3twp,3twp_599,15.882209713693316,111.00073051125922,406.3562185537917,439.5733740989965,439.57687394539556\n3twp,3twp_600,13.50083814367637,92.71134433314542,442.9073091051728,477.8120258210698,477.81494177202677\n3twp,3twp_605,12.352425880122915,94.81906490050979,449.8516998021115,471.3684339790486,471.37037344989716\n3twp,3twp_608,38.51864643475684,178.4183853375757,571.685440213197,586.809633479076,586.8154001538207\n3twp,3twp_613,33.5285203205076,163.92293687213635,566.4315565540076,580.1815885424236,580.1875609072085\n3twp,3twp_619,4.436933640747692,58.78741811016626,347.9818406286572,367.0993996659522,367.10308904619876\n3twp,3twp_627,25.379656523205064,125.82186491922448,445.5714394539653,474.0310667158902,474.0353658609763\n3twp,3twp_633,17.282988116411858,96.83234199723144,365.4938615622377,382.0961841885408,382.0985022716146\n3twp,3twp_643,32.501246029629804,165.38030119262672,552.5468965566515,573.0620292035591,573.0678041992608\n3twp,3twp_645,31.34010144992256,161.07380575158584,542.898532526143,578.9978708055867,579.0034239533505\n3twp,3twp_646,21.015480346495256,112.49537227448077,470.5009483376623,499.2136034741756,499.2158166198174\n3twp,3twp_665,6.343882667924657,64.6599090882085,269.6298359990683,281.20853770290375,281.21099406169645\n3twp,3twp_676,20.97139599002452,129.61186604050374,489.7926628022952,512.2795520864751,512.2841864329476\n3twp,3twp_686,28.99457650627871,143.17869194275255,484.1480125977277,497.6512595689485,497.6559752919538\n3twp,3twp_692,35.29426356791939,172.81493896337588,562.9675898639637,583.0345231213364,583.0403880464845\n3twp,3twp_741,7.959559476787344,80.60606452259172,375.0821739192692,401.7824600362522,401.78537242187787\n3twp,3twp_742,1.193312702399867,29.025843221414583,250.11299576743133,258.6692232248449,258.6714462267507\n3twp,3twp_745,12.913495737861513,90.33989789215157,377.84465092167375,397.5047352823055,397.5078446544453\n3twp,3twp_749,4.266448993272097,64.64116419717911,378.9981810376019,401.643064868473,401.64550261261775\n3twp,3twp_754,13.089231436099405,82.05751330697754,384.6929905969663,405.1660083814527,405.168841870889\n3twp,3twp_763,2.323456611222602,41.641646693285935,276.55211859490504,293.82527081015576,293.82734084399993\n3twp,3twp_769,2.541092606880815,46.789792052014185,309.9219912756402,330.6403949129278,330.6428697533149\n3twp,3twp_778,0.29857992347341805,30.400332869031526,217.41643602588405,237.07030558248266,237.0722570006665\n3twp,3twp_779,2.7365830038521652,60.459154184095745,357.9155194518419,385.0849745014834,385.0873206514262\n3twp,3twp_785,8.043124982184628,90.95732235219985,401.7549387647642,438.3094557289116,438.3128359900419\n3twp,3twp_8,21.021864715318344,101.49662767450428,413.4551687195592,436.46964706404333,436.47183035939605\n3twp,3twp_827,3.3243890105005387,54.68195086515839,329.6603193897227,343.33711245551416,343.33906618778525\n3twp,3twp_912,17.066108175328548,105.4617898017879,404.5969458142842,430.82667875722797,430.83049737922806\n3twp,3twp_92,25.908866967679955,130.6208757719821,421.8341502802753,438.2777386423686,438.28114923416604\n3uew,3uew_161,62.68228103368197,297.4879896884952,600.2718403499725,607.5096264961477,607.5113408409595\n3uew,3uew_211,21.598382550485503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562,86.36328376923316,287.8612495623946,663.0260103660931,679.4815409723478,679.4836091452208\n2hb1,2hb1_573,42.77358563152001,200.4399707696507,558.2986701256798,578.4491003419814,578.4507516350712\n2hb1,2hb1_574,85.08223235025557,306.1732342636776,653.5630715078757,665.6622824497815,665.6634782264082\n2hb1,2hb1_613,48.504633838842494,219.96876584512074,554.5485277744846,568.7263769704712,568.7277895940091\n2hb1,2hb1_640,95.46246392050683,316.63012560610144,753.3289896320443,769.4448197574189,769.4467255596527\n2hb1,2hb1_642,109.96429442602059,349.54746042230437,729.3295224487,747.0832086917171,747.0847418441293\n2hb1,2hb1_664,43.83446894403029,178.32362714439293,597.3830335403733,626.5578104492301,626.5596489086746\n2hb1,2hb1_666,67.84153798290626,236.5134123093721,632.5367451539818,651.3444593345065,651.3465711865249\n2hb1,2hb1_675,58.50543402288328,209.5495736152881,510.1270275936002,517.3862051140975,517.3874935293196\n2hb1,2hb1_689,79.76407909819247,268.8582238304685,642.0350085939482,657.8873505379914,657.8887277491027\n2hb1,2hb1_690,88.65151328534608,339.3342977354309,773.9977439416017,788.7358459555605,788.7375201703508\n2hb1,2hb1_695,39.57132420790839,187.15471949444634,575.7764040965893,590.6906314933341,590.6921906279048\n2hb1,2hb1_763,85.87744953821696,331.6190816426342,726.3569399876039,737.7916998107431,737.7930934497512\n2hb1,2hb1_772,36.7897799703981,175.66423882595723,551.251475630937,567.5826371373514,567.5841906660403\n2hb1,2hb1_785,56.28941541670629,249.59860582170415,618.977113831804,636.5240951721602,636.5258192738777\n2hb1,2hb1_981,96.48630620129855,346.80750120059025,814.7305099139189,830.4256423935735,830.4275453521233\n2vkm,2vkm_105,20.09175965721614,256.8116642870174,1562.7400564058617,1642.3828487587364,1642.411296645687\n2vkm,2vkm_106,5.238580292007195,197.6422767412678,1615.2091803084566,1698.4682865789887,1698.4740877069946\n2vkm,2vkm_152,48.42057136351372,375.2594691164439,1779.1041978362546,1861.512586944546,1861.5149244129823\n2vkm,2vkm_159,112.68686498058514,712.3751713859122,2518.1337999753914,2593.771259551178,2593.7725679081977\n2vkm,2vkm_160,178.17773610370068,876.1358804077141,2502.3841248654776,2565.463312830187,2565.465177154611\n2vkm,2vkm_192,4.174637184541176,141.63021018875057,1359.859210699957,1434.0322678914715,1434.0375600196642\n2vkm,2vkm_203,63.17191514635412,512.9398308569498,1984.332465360406,2048.9002854221035,2048.9020949634064\n2vkm,2vkm_208,56.57790914108079,426.94302140797447,2056.929019233499,2129.2101033240747,2129.2135556256344\n2vkm,2vkm_215,214.5616849481575,1025.3007063087007,2850.009261537893,2924.0934934128254,2924.0945975427926\n2vkm,2vkm_216,69.27976936996525,499.3904160537673,2131.2586526600767,2215.243958492344,2215.246435980179\n2vkm,2vkm_217,201.19430697348676,926.1239142394127,2651.9002603796985,2718.7420759791603,2718.744563213299\n2vkm,2vkm_226,208.57884224589478,985.8952775451155,2806.2453401984553,2883.7380457965774,2883.73967038544\n2vkm,2vkm_233,13.494390840651663,257.93094907292425,1657.4375906714592,1761.379142914125,1761.3952588516058\n2vkm,2vkm_237,240.48730431764122,1037.2647320382132,2810.952977676528,2884.2624691125557,2884.2639413606275\n2vkm,2vkm_241,168.54319623516807,837.8200876322923,2530.367825262061,2606.7306693338596,2606.7328624001216\n2vkm,2vkm_242,193.494593262155,903.0047130230898,2636.450263506906,2711.074422113631,2711.0762798292894\n2vkm,2vkm_249,144.39578622769926,813.9351053060102,2646.6521360878437,2717.600779961056,2717.601368099092\n2vkm,2vkm_257,161.29552714118108,839.1171067695038,2503.242233501714,2570.2519764820995,2570.2542047126217\n2vkm,2vkm_260,56.937022838956274,453.0786461223489,1865.4016934452243,1925.3477543771285,1925.3506008965142\n2vkm,2vkm_262,196.43085009065481,983.1580282980655,2867.1610214195925,2947.35102112402,2947.3532485027185\n2vkm,2vkm_263,183.1002498865228,912.1172038878663,2680.801412936166,2756.903146565813,2756.9092969033877\n2vkm,2vkm_267,81.23928271298252,570.5210078207422,2269.028276886807,2350.469922501504,2350.4759189212728\n2vkm,2vkm_270,81.33799358102279,582.5799781671637,2268.4225568339634,2338.010315004402,2338.014649294762\n2vkm,2vkm_273,20.984239331629713,262.48703268385555,1782.818303615378,1853.6952162139878,1853.6953399691943\n2vkm,2vkm_289,186.8133202997025,874.6488774478476,2436.477300418232,2495.610604691125,2495.614706087709\n2vkm,2vkm_291,169.635145504894,868.600231704136,2662.923445553372,2729.827793715035,2729.829852498092\n2vkm,2vkm_292,59.354040643659125,424.2791239315124,1867.5785344340682,1953.8047736650838,1953.812300971019\n2vkm,2vkm_296,239.1381928194787,1084.8514997024356,2948.267565513541,3019.919637026037,3019.921321408505\n2vkm,2vkm_308,1.7828911890497818,115.08208062176321,1282.8102764835974,1377.2292114993172,1377.2415224501626\n2vkm,2vkm_314,8.972725302642155,196.75471279855452,1374.524594395142,1459.1382490343674,1459.1395580558049\n2vkm,2vkm_324,121.30958276222545,768.5528248548443,2492.9709880297646,2580.189317845582,2580.1926894103244\n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553,1907.2330253082214,1907.2336871224784\n3prs,3prs_246,91.24072918860459,681.2004610960844,2196.3641344287034,2255.088187632366,2255.088720610152\n3prs,3prs_252,60.05143643899906,612.1212499634706,2219.607837390862,2295.184220600602,2295.1845490484984\n3prs,3prs_259,52.83997320600359,513.5474621798353,1897.6677509657738,1970.81379297945,1970.8169728431658\n3prs,3prs_266,98.59911045039155,673.5524529559218,2304.8953905080466,2379.15872875871,2379.1597773291837\n3prs,3prs_270,20.324632799690253,337.4740808849354,1580.1633331349335,1625.5559268294346,1625.5565185244654\n3prs,3prs_271,45.8517059100091,516.0694399433642,1909.4680578082198,1954.2123465750128,1954.2126573705093\n3prs,3prs_273,95.84145821217469,712.5583299375647,2206.951439344463,2262.321484752811,2262.328284575253\n3prs,3prs_274,48.50013183963741,503.77285286802083,2042.2352231381158,2100.0316938966394,2100.0319280754916\n3prs,3prs_281,59.94949451715384,558.3742905792515,2124.4000308758823,2182.8659733105846,2182.8682728686385\n3prs,3prs_292,23.710267234143487,333.0894484390514,1495.5423461408725,1546.4075046079772,1546.407797067177\n3prs,3prs_31,8.951587835046377,209.87885319555224,1358.273176553341,1424.8872792070135,1424.8893729707715\n3prs,3prs_314,73.92465544179237,583.7251801308176,2003.8112388567733,2069.0417928877273,2069.0486376311433\n3prs,3prs_315,13.958628137572465,248.04581934336233,1430.2980644458585,1500.2045158070853,1500.2063475234834\n3prs,3prs_328,9.708027104693919,209.78588048602086,1321.7133705917577,1383.2581893261683,1383.2583724328065\n3prs,3prs_362,14.795590197756272,300.72627215480594,1454.4730160911506,1527.930311851081,1527.9303824119388\n3prs,3prs_38,24.411925452885193,350.53997847427536,1701.346802554167,1765.5066468076989,1765.506668808868\n3prs,3prs_404,62.11909311166203,628.8761966586125,2223.163117779842,2272.799784719414,2272.8003336844754\n3prs,3prs_410,41.95978294724262,481.7128599110383,1792.6017423085923,1853.9332534405805,1853.9334162510245\n3prs,3prs_414,21.119367285549373,403.2317116805662,1822.7865346904039,1875.3182097931262,1875.3190596302868\n3prs,3prs_415,26.134084366192774,383.40073852180706,1681.5863483755754,1736.1928493238556,1736.1972095270096\n3prs,3prs_419,28.02071411430909,431.32542801002336,1932.9268078475577,1982.7350537912741,1982.736069320188\n3prs,3prs_424,53.41457868873239,515.6003295954588,1901.0099856171535,1955.6360078514292,1955.6360637071161\n3prs,3prs_427,35.79194263289447,417.13443133789565,1880.4606932594163,1946.7214486528321,1946.7232245449484\n3prs,3prs_430,33.64100726903524,453.40470325723857,1997.4083814914984,2054.5158577173474,2054.516160990069\n3prs,3prs_438,24.98257691559526,381.70584601898906,1710.7570826410931,1763.4769792973352,1763.4775356409941\n3prs,3prs_440,24.559916245647546,393.47133665590775,1745.369161285494,1807.401611531429,1807.4029476972144\n3prs,3prs_448,23.265699197908173,405.3375427969227,1795.7845888420854,1864.432222734087,1864.433406056161\n3prs,3prs_454,54.78108372831966,558.0877917118409,1898.1841564130007,1951.2454703711155,1951.2458021284365\n3prs,3prs_456,30.51347486249705,457.6413051814154,1870.004556714553,1922.4154804987986,1922.4162922936484\n3prs,3prs_477,36.286696436577195,395.4474212574621,1847.9904666711172,1911.5472012442988,1911.549954722024\n3prs,3prs_488,17.874271266517617,322.2621274552308,1556.4969077968858,1640.0490098625914,1640.0532986110986\n3prs,3prs_490,33.39251418550237,398.6140085846267,1716.0388646366468,1779.391841473832,1779.3965077698465\n3prs,3prs_493,62.656314401956976,566.4136092590886,2128.5974456987756,2196.6359700431212,2196.636449521063\n3prs,3prs_496,23.294932232292545,386.43508804875677,1848.75329357314,1923.5094579484587,1923.5150543762968\n3prs,3prs_498,51.74862423342846,464.4742942877996,1910.3717009693878,1972.508950708713,1972.5110073866074\n3prs,3prs_505,65.22875860987118,551.9433847654747,2179.662533966451,2249.333787959873,2249.33699285451\n3prs,3prs_506,11.618437418383955,297.1972374526141,1598.0040540873295,1649.0907243994236,1649.0911176691932\n3prs,3prs_507,7.418635499856687,198.8393835506863,1358.573249434733,1434.95086701932,1434.9519892781307\n3prs,3prs_556,13.493227198958817,282.586636288412,1670.8530875097024,1735.5884693313699,1735.590485048481\n3prs,3prs_571,14.941632891996766,297.1126974154819,1585.857996772657,1643.251901684656,1643.2522221498932\n3prs,3prs_578,4.945118462502068,151.9596818765701,1235.7038564946477,1313.8691104032616,1313.870729229708\n3prs,3prs_605,16.581373450963362,298.7904685979457,1709.6255165465093,1803.315755571988,1803.3163282432351\n3prs,3prs_607,7.1381312838626805,238.634142603176,1405.94040642256,1479.1044712946298,1479.1047495755395\n3prs,3prs_609,29.540336090932446,449.500793589822,1965.880665537253,2024.929694732604,2024.9328508922365\n3prs,3prs_617,14.173129228640153,310.6169981245362,1834.155670922254,1895.924966034912,1895.9265789630779\n3prs,3prs_619,49.724414899376804,496.46196335684266,1919.2290615964378,1971.6204776329685,1971.6206346024987\n3prs,3prs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4k77_478,10.153622133578992,145.81106263245607,750.3921437556587,795.0258873912765,795.025954830992\n4k77,4k77_479,12.651660481567728,194.21232519688584,825.3937521230944,873.6427101707907,873.6427354433356\n4k77,4k77_482,5.849070174513778,138.5800635736075,772.1364321324079,826.8392605205328,826.8393071124109\n4k77,4k77_491,24.415695381627284,240.32124386828562,852.2359288831283,902.540183069724,902.540195218318\n4k77,4k77_516,0.5139552829983213,97.7079456209433,657.7111713433625,703.8939312667874,703.8952944778385\n4k77,4k77_520,13.964949468132774,176.43560551649665,726.8742532916074,765.4757241607489,765.4773509676761\n4k77,4k77_521,3.708754858418649,122.2514672478758,702.7910393731187,746.996484747891,746.9964953530626\n4k77,4k77_529,6.723058272418812,158.87148309552225,711.3761126023564,753.7792387443914,753.7797109491925\n4k77,4k77_546,4.231988754050828,83.67284529074117,747.5022096336187,789.1831440916202,789.1832197371981\n4k77,4k77_548,54.03842785811705,339.2878623015685,985.763160589395,1025.1460644953604,1025.1480111798467\n4k77,4k77_557,68.5341865382386,328.0932522887035,1038.5804438775986,1083.1396760656796,1083.1414254759695\n4k77,4k77_560,83.81517989036573,409.66460632566947,1136.6536233078086,1170.6892292269786,1170.6907565417991\n4k77,4k77_562,6.9863619146723765,122.40859913696775,819.3091054960377,881.3334137559327,881.3335148457088\n4k77,4k77_571,42.34956969301177,281.71259113410053,867.7813112419818,909.1237352952664,909.1237720529091\n4k77,4k77_572,5.684710809589657,132.6341026379708,672.1682986219932,709.3420742838923,709.3423068619733\n4k77,4k77_573,11.0403096300397,160.64946118469538,787.8195083408197,840.6840519365489,840.684625487597\n4k77,4k77_576,15.617734411477285,169.90402327756757,689.0153225944771,732.008043222639,732.0082534849348\n4k77,4k77_577,5.740138725461585,145.2363499896793,817.2203900707012,854.2643399539363,854.2647985091899\n4k77,4k77_585,6.726932524147254,126.45886595524658,737.6698576281541,788.8695777986655,788.8704948327305\n4k77,4k77_586,7.94564383718577,117.61953144364045,730.3110683314146,792.4067194726753,792.4067471013374\n4k77,4k77_592,28.06571919642277,185.99220876954254,813.5573460094096,867.662736137245,867.6628408672951\n4k77,4k77_596,20.686356103886375,171.89873074726555,676.5585191268966,710.4624321706233,710.4630837820677\n4k77,4k77_597,13.610025951033968,154.95272407591352,730.0790243229707,763.31676542024,763.3180389574269\n4k77,4k77_598,7.581320849025849,137.87658881328164,579.2809680849158,600.5363645322328,600.5375228205827\n4k77,4k77_601,22.879599312820172,194.33145069033267,779.2419110320711,812.4625723118089,812.4626398978431\n4k77,4k77_606,35.63480390115487,209.61278358463377,706.463062888275,742.7144546287252,742.7164684552419\n4k77,4k77_608,93.43916405641879,424.827301571634,976.2782758204693,997.8467026556248,997.8467087179622\n4k77,4k77_611,53.33362098517043,212.13331287282455,672.8237108172732,720.5420361346195,720.5420512219014\n4k77,4k77_625,42.43453059503638,198.5985981816647,794.4935402400504,855.6136425370881,855.6140209126552\n4k77,4k77_633,62.23533097010947,280.2043930652387,730.6735263118768,759.2407260672162,759.2410706617891\n4k77,4k77_634,6.798826806210317,113.59060062730595,726.5259475689554,780.3153291821442,780.3154832966453\n4k77,4k77_635,14.485846769081675,192.48491251118384,702.5562254361087,741.1086664233887,741.1099971734569\n4k77,4k77_642,57.959002646835785,329.2049477054062,1028.0146609260676,1085.4158740948424,1085.4158793407598\n4k77,4k77_645,23.397935967916396,195.56252649272062,869.4737210001759,903.5248326991206,903.5248574107598\n4k77,4k77_661,25.73303498979148,203.50352609535025,802.287582406626,858.1501643174863,858.151625027462\n4k77,4k77_666,11.124924822265378,134.50365928397585,663.1793518982819,696.5138419402709,696.5138644016542\n4k77,4k77_681,9.603562818509241,146.12382879694718,637.5811397145113,679.6033801246568,679.6048304810416\n4k77,4k77_684,105.01151099171092,438.63164939689386,1173.0867002071768,1209.0301320273293,1209.031220231546\n4k77,4k77_688,20.803986921611294,174.1685244934649,795.3630203640887,837.2660787189236,837.2674491599435\n4k77,4k77_690,14.609925360123741,127.234244752571,618.8352003189328,658.9010335656178,658.90104454693\n4k77,4k77_693,81.97853003236841,370.27886147160166,951.3972081584008,986.0078245847404,986.0078619530641\n4k77,4k77_696,0.9997025007037467,69.17999664872409,696.2981233504977,751.3933022926497,751.3941785961192\n4k77,4k77_699,84.36935113154298,338.3927203839257,918.7066236234234,948.0107434943151,948.0109077473124\n4k77,4k77_743,79.6509131767392,315.3192079809178,915.202851860129,957.5453835734091,957.5456432950951\n4k77,4k77_748,1.4366775845094868,68.3049772734423,544.449634403399,578.3797731946534,578.380008016418\n4k77,4k77_750,14.202082289290308,151.21413612417084,643.0715347742254,680.1773778549584,680.1775128654414\n4k77,4k77_757,5.7765306965666054,127.76886170464118,787.2438134728255,835.5501569040239,835.550280957154\n4k77,4k77_775,4.47632117040876,106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0.3623389327238,1328.5733760119706,1328.5735563101666\n2fvd,2fvd_679,33.477425965490845,229.62501346983092,1215.335502568815,1293.478879902434,1293.4794479512507\n2fvd,2fvd_680,9.53047507271795,169.5615291757211,1056.9267818556,1104.5250440182817,1104.5253092317728\n2fvd,2fvd_695,25.69975757570657,299.45147520507845,1322.0299196965423,1380.8766662646194,1380.8771416642007\n2fvd,2fvd_698,12.635800939932077,213.63033149266076,1244.5558909032075,1326.4365452332354,1326.436822982774\n2fvd,2fvd_71,19.369558097405424,236.81067267948572,1274.0263936600395,1346.9807697654012,1346.980949521763\n2fvd,2fvd_72,3.209602229075371,131.65514152272627,1014.4455509069709,1076.5944050523747,1076.597486524067\n2fvd,2fvd_747,132.44416293621026,620.5287563370705,1634.552164966854,1679.784801825661,1679.7848506002035\n2fvd,2fvd_751,100.72170716736453,600.7517303861641,1658.859479918059,1703.0982363898356,1703.0983929704655\n2fvd,2fvd_76,125.90868523614482,676.476281620449,1760.5465184286325,1796.4215889843504,1796.4216642059566\n2fvd,2fvd_778,22.441493658195824,243.0371271896847,1221.0342470855062,1280.5250163433025,1280.5255633668637\n2fvd,2fvd_780,93.4810270743663,592.642118080962,1579.7196810827722,1623.758187736827,1623.7582628647604\n2fvd,2fvd_783,10.671013892508604,153.25012915732296,902.9598236128174,955.7857128115157,955.7858172856152\n2fvd,2fvd_809,147.27219499686646,710.5821510734835,1761.00857687961,1798.5110968273893,1798.5112120548288\n2fvd,2fvd_86,109.73394987153517,613.9387459980289,1599.2954645328248,1642.3395550950568,1642.339625610795\n2fvd,2fvd_872,1.56490350087868,106.22734066349265,940.6486120437434,998.6234136519489,998.6238064934449\n2fvd,2fvd_880,51.46877110101364,312.38407136158514,1297.5725579683021,1361.288460035815,1361.2894755441498\n2fvd,2fvd_881,13.424452904862719,160.00376989839984,971.1507848702146,1025.8518332763683,1025.8522282823924\n2fvd,2fvd_889,128.40799981891405,674.2850780459759,1757.6278858175292,1804.0209624937308,1804.0210401100944\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/RankingPower_Deepdock_10A.out", "content": " Target Rank1 Rank2 Rank3 Rank4 Rank5\n1 5c2h 5c2h 3uuo 3ui7 5c28 4llx\n2 3uri 3prs 3uri 3pww 3wz8 2v00\n3 4rfm 3qgy 4rfm 4qd6 4m0y 4m0z\n4 4ty7 4crc 4x6p 4cra 4ty7 4cr9\n5 4agq 4agq 5a7b 4agp 4agn 5aba\n6 5dwr 5dwr 4k18 3bgz 2c3i 3jya\n7 4twp 2v7a 4twp 3pyy 3k5v 3mss\n8 3u8n 4qac 3u8n 3wtj 3u8k 3zdg\n9 3o9i 1eby 3o9i 1g2k 2qnq 1a30\n10 3p5o 3p5o 4ogj 4wiv 3u5j 4lzs\n11 3ejr 3ejr 1ps3 3d4z 3dx2 3dx1\n12 3ebp 4eky 3g2n 3syr 3ebp 3l7b\n13 2vvn 2wca 2vvn 2w4x 2xj7 2w66\n14 3arp 3arp 3arq 3arv 3aru 3ary\n15 3gnw 3gnw 4eo8 3cj4 4ih7 4ih5\n16 1e66 1h22 1h23 1e66 1gpn 1gpk\n17 3f3e 4mme 3f3a 3f3c 3f3e 3f3d\n18 2cet 2cet 2wbg 2j78 2j7h 2cbv\n19 4gid 4gid 2vkm 4djv 3rsx 3udh\n20 4pcs 2xii 4jfs 4j28 4pcs 2wvt\n21 3ge7 3ge7 3gc5 3rr4 1s38 1r5y\n22 3e93 3e93 4f9w 2zb1 3e92 4dli\n23 3qqs 4gkm 3qqs 3r88 4owm 3twp\n24 2r9w 2r9w 4jxs 4kz6 3gr2 3gv9\n25 2qbp 2qbp 2qbq 2qbr 1bzc 2hb1\n26 3ag9 3ag9 1q8u 1ydt 1ydr 1q8t\n27 4tmn 5tmn 4tmn 1qf1 1z9g 3fcq\n28 3coy 3ivg 3coz 3coy 4ddh 4ddk\n29 2fvd 4eor 2xnb 1pxn 2fvd 3pxf\n30 4ivc 4ivd 4ivb 4ivc 4e5w 4k77\n31 4jia 4jia 4e6q 4f09 4gfm 4hge\n32 1nvq 1nvq 2br1 2brb 3jvs 3jvr\n33 2zcq 2zcr 2zy1 4ea2 3acw 2zcq\n34 3utu 3utu 3bv9 1oyt 2zda 1bcu\n35 2p4y 2p4y 3b1m 3fur 2yfe 3u9q\n36 3myg 3e5a 2wtv 3uo4 3myg 3up2\n37 1sqa 1sqa 1owh 1o5b 1c5z 3kgp\n38 3dd0 3dd0 3ryj 2weg 4jsz 3kwa\n39 2yki 2yki 1yc1 3rlr 3b27 2xdl\n40 3g0w 1z95 3b68 3b5r 3g0w 3b65\n41 2al5 1p1n 4u4s 1syi 1p1q 2al5\n42 4de1 4de2 4de1 4de3 3g31 3g2z\n43 3fv1 1vso 4dld 3fv2 3fv1 3gbb\n44 2p15 2qe4 2p15 1qkt 2pog 4mgd\n45 1mq6 1lpg 1z6e 2xbv 2y5h 1mq6\n46 4f3c 4f3c 1y6r 4f2w 1nc1 1nc3\n47 1o3f 1o3f 1k1i 4abg 3gy4 1uto\n48 2vw5 2yge 2vw5 2fxs 2wer 2iwx\n49 3kr8 3kr8 4kzq 4j3l 4kzu 4j21\n50 2x00 2x00 2xys 2wnc 2wn9 2ymd\n51 3nw9 3nw9 3oe4 3oe5 3ozs 3ozt\n52 3zso 3zso 3zsx 4cig 3zt2 3ao4\n53 2xb8 2xb8 3n86 3n76 4ciw 3n7a\n54 4w9h 4w9l 4w9i 4w9h 4w9c 4bkt\n55 3uex 3uex 3uew 3uev 3ueu 3nq9\n56 4gr0 4gr0 3tsk 3nx7 3ehy 3lka\n57 1u1b 1u1b 1o0h 3d6q 1w4o 3dxg\n\nSummary of the ranking power: ===========================================\nThe Spearman correlation coefficient (SP) = 0.549\nThe Kendall correlation coefficient (tau) = 0.481\nThe Predictive index (PI) = 0.571\n=========================================================================\n\n\nTemplate command for running the bootstrap in R program==================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_Spearman.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock_Spearman-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=========================================================================\n\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/RankingPower_Deepdock_3A.out", "content": " Target Rank1 Rank2 Rank3 Rank4 Rank5\n1 5c2h 5c2h 3ui7 3uuo 5c28 4llx\n2 3uri 3prs 3pww 3uri 3wz8 2v00\n3 4rfm 3qgy 4rfm 4m0z 4qd6 4m0y\n4 4ty7 4x6p 4crc 4cra 4ty7 4cr9\n5 4agq 4agn 4agq 4agp 5aba 5a7b\n6 5dwr 5dwr 3jya 3bgz 4k18 2c3i\n7 4twp 2v7a 4twp 3pyy 3mss 3k5v\n8 3u8n 3u8n 4qac 3u8k 3zdg 3wtj\n9 3o9i 1eby 3o9i 1g2k 2qnq 1a30\n10 3p5o 3p5o 3u5j 4lzs 4wiv 4ogj\n11 3ejr 1ps3 3d4z 3ejr 3dx2 3dx1\n12 3ebp 4eky 3syr 3g2n 3l7b 3ebp\n13 2vvn 2vvn 2xj7 2w4x 2wca 2w66\n14 3arp 3arp 3aru 3arv 3arq 3ary\n15 3gnw 4eo8 3gnw 3cj4 4ih5 4ih7\n16 1e66 1e66 1h22 1h23 1gpk 1gpn\n17 3f3e 4mme 3f3c 3f3a 3f3e 3f3d\n18 2cet 2cet 2wbg 2j7h 2j78 2cbv\n19 4gid 4gid 2vkm 4djv 3rsx 3udh\n20 4pcs 2xii 4pcs 4j28 4jfs 2wvt\n21 3ge7 3gc5 3ge7 3rr4 1s38 1r5y\n22 3e93 3e93 3e92 2zb1 4f9w 4dli\n23 3qqs 4gkm 3qqs 4owm 3r88 3twp\n24 2r9w 4jxs 2r9w 3gv9 4kz6 3gr2\n25 2qbp 1bzc 2qbp 2qbr 2qbq 2hb1\n26 3ag9 3ag9 1ydr 1q8u 1ydt 1q8t\n27 4tmn 5tmn 1qf1 4tmn 1z9g 3fcq\n28 3coy 3ivg 3coz 3coy 4ddh 4ddk\n29 2fvd 4eor 1pxn 2xnb 2fvd 3pxf\n30 4ivc 4ivb 4ivd 4ivc 4e5w 4k77\n31 4jia 4f09 4e6q 4jia 4gfm 4hge\n32 1nvq 1nvq 2brb 2br1 3jvr 3jvs\n33 2zcq 2zcr 3acw 2zy1 4ea2 2zcq\n34 3utu 3utu 2zda 1oyt 3bv9 1bcu\n35 2p4y 3fur 3b1m 2yfe 3u9q 2p4y\n36 3myg 2wtv 3uo4 3e5a 3myg 3up2\n37 1sqa 1o5b 1sqa 1c5z 1owh 3kgp\n38 3dd0 2weg 3dd0 3ryj 4jsz 3kwa\n39 2yki 2yki 3rlr 1yc1 3b27 2xdl\n40 3g0w 3b68 1z95 3g0w 3b5r 3b65\n41 2al5 1syi 2al5 1p1q 1p1n 4u4s\n42 4de1 4de1 4de2 4de3 3g2z 3g31\n43 3fv1 4dld 3fv2 3fv1 1vso 3gbb\n44 2p15 2p15 4mgd 1qkt 2qe4 2pog\n45 1mq6 1z6e 1lpg 2xbv 2y5h 1mq6\n46 4f3c 4f3c 1y6r 4f2w 1nc1 1nc3\n47 1o3f 1o3f 1k1i 4abg 3gy4 1uto\n48 2vw5 2fxs 2iwx 2wer 2yge 2vw5\n49 3kr8 4kzq 3kr8 4kzu 4j3l 4j21\n50 2x00 2xys 2wn9 2wnc 2x00 2ymd\n51 3nw9 3nw9 3oe4 3oe5 3ozs 3ozt\n52 3zso 3zt2 3zso 3zsx 4cig 3ao4\n53 2xb8 3n86 3n76 2xb8 4ciw 3n7a\n54 4w9h 4w9l 4w9i 4w9h 4w9c 4bkt\n55 3uex 3uev 3uew 3uex 3ueu 3nq9\n56 4gr0 4gr0 3tsk 3ehy 3nx7 3lka\n57 1u1b 1u1b 1o0h 1w4o 3dxg 3d6q\n\nSummary of the ranking power: ===========================================\nThe Spearman correlation coefficient (SP) = 0.425\nThe Kendall correlation coefficient (tau) = 0.347\nThe Predictive index (PI) = 0.447\n=========================================================================\n\n\nTemplate command for running the bootstrap in R program==================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_Spearman.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock_Spearman-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=========================================================================\n\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/RankingPower_Deepdock_5A.out", "content": " Target Rank1 Rank2 Rank3 Rank4 Rank5\n1 5c2h 5c2h 3ui7 3uuo 5c28 4llx\n2 3uri 3prs 3uri 3pww 3wz8 2v00\n3 4rfm 3qgy 4rfm 4m0z 4qd6 4m0y\n4 4ty7 4crc 4x6p 4cra 4ty7 4cr9\n5 4agq 4agq 4agp 4agn 5aba 5a7b\n6 5dwr 5dwr 3bgz 4k18 2c3i 3jya\n7 4twp 2v7a 4twp 3pyy 3k5v 3mss\n8 3u8n 4qac 3u8n 3u8k 3wtj 3zdg\n9 3o9i 1eby 3o9i 1g2k 2qnq 1a30\n10 3p5o 3p5o 4ogj 3u5j 4wiv 4lzs\n11 3ejr 3ejr 1ps3 3d4z 3dx2 3dx1\n12 3ebp 4eky 3g2n 3syr 3l7b 3ebp\n13 2vvn 2vvn 2xj7 2w4x 2wca 2w66\n14 3arp 3arp 3arq 3arv 3aru 3ary\n15 3gnw 4eo8 3gnw 3cj4 4ih7 4ih5\n16 1e66 1h23 1h22 1e66 1gpk 1gpn\n17 3f3e 4mme 3f3a 3f3c 3f3e 3f3d\n18 2cet 2cet 2wbg 2j7h 2j78 2cbv\n19 4gid 4gid 2vkm 4djv 3rsx 3udh\n20 4pcs 2xii 4jfs 4j28 4pcs 2wvt\n21 3ge7 3ge7 3gc5 3rr4 1s38 1r5y\n22 3e93 3e93 2zb1 4f9w 3e92 4dli\n23 3qqs 4gkm 3qqs 3r88 4owm 3twp\n24 2r9w 4jxs 2r9w 4kz6 3gv9 3gr2\n25 2qbp 2qbp 2qbr 2qbq 1bzc 2hb1\n26 3ag9 3ag9 1ydr 1q8u 1ydt 1q8t\n27 4tmn 4tmn 5tmn 1qf1 1z9g 3fcq\n28 3coy 3ivg 3coz 3coy 4ddh 4ddk\n29 2fvd 4eor 1pxn 2xnb 2fvd 3pxf\n30 4ivc 4ivb 4ivd 4e5w 4ivc 4k77\n31 4jia 4e6q 4f09 4jia 4gfm 4hge\n32 1nvq 1nvq 2brb 2br1 3jvs 3jvr\n33 2zcq 2zcr 2zy1 4ea2 3acw 2zcq\n34 3utu 3utu 2zda 1oyt 3bv9 1bcu\n35 2p4y 3b1m 3fur 2p4y 2yfe 3u9q\n36 3myg 2wtv 3e5a 3uo4 3myg 3up2\n37 1sqa 1sqa 1o5b 1owh 1c5z 3kgp\n38 3dd0 3dd0 3ryj 2weg 3kwa 4jsz\n39 2yki 2yki 1yc1 3rlr 3b27 2xdl\n40 3g0w 3b68 1z95 3g0w 3b5r 3b65\n41 2al5 1syi 1p1n 4u4s 1p1q 2al5\n42 4de1 4de2 4de1 4de3 3g2z 3g31\n43 3fv1 4dld 3fv2 1vso 3fv1 3gbb\n44 2p15 2p15 2qe4 1qkt 4mgd 2pog\n45 1mq6 1z6e 1lpg 2xbv 2y5h 1mq6\n46 4f3c 4f3c 1y6r 4f2w 1nc1 1nc3\n47 1o3f 1o3f 1k1i 4abg 3gy4 1uto\n48 2vw5 2fxs 2wer 2iwx 2yge 2vw5\n49 3kr8 3kr8 4kzq 4kzu 4j3l 4j21\n50 2x00 2x00 2xys 2wnc 2wn9 2ymd\n51 3nw9 3nw9 3ozs 3oe4 3oe5 3ozt\n52 3zso 3zso 4cig 3zt2 3zsx 3ao4\n53 2xb8 3n86 3n76 2xb8 4ciw 3n7a\n54 4w9h 4w9l 4w9i 4w9h 4w9c 4bkt\n55 3uex 3uex 3uew 3uev 3ueu 3nq9\n56 4gr0 4gr0 3tsk 3nx7 3ehy 3lka\n57 1u1b 1u1b 1o0h 1w4o 3d6q 3dxg\n\nSummary of the ranking power: ===========================================\nThe Spearman correlation coefficient (SP) = 0.521\nThe Kendall correlation coefficient (tau) = 0.449\nThe Predictive index (PI) = 0.545\n=========================================================================\n\n\nTemplate command for running the bootstrap in R program==================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_Spearman.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock_Spearman-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=========================================================================\n\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/RankingPower_Deepdock_7A.out", "content": " Target Rank1 Rank2 Rank3 Rank4 Rank5\n1 5c2h 5c2h 3uuo 3ui7 5c28 4llx\n2 3uri 3prs 3uri 3pww 3wz8 2v00\n3 4rfm 3qgy 4rfm 4qd6 4m0y 4m0z\n4 4ty7 4crc 4x6p 4cra 4ty7 4cr9\n5 4agq 4agq 5a7b 4agp 4agn 5aba\n6 5dwr 5dwr 4k18 3bgz 2c3i 3jya\n7 4twp 2v7a 4twp 3pyy 3k5v 3mss\n8 3u8n 4qac 3u8n 3wtj 3u8k 3zdg\n9 3o9i 1eby 3o9i 1g2k 2qnq 1a30\n10 3p5o 3p5o 4ogj 4wiv 3u5j 4lzs\n11 3ejr 3ejr 1ps3 3d4z 3dx2 3dx1\n12 3ebp 4eky 3g2n 3syr 3ebp 3l7b\n13 2vvn 2wca 2vvn 2w4x 2xj7 2w66\n14 3arp 3arp 3arq 3arv 3aru 3ary\n15 3gnw 3gnw 4eo8 3cj4 4ih7 4ih5\n16 1e66 1h22 1h23 1e66 1gpn 1gpk\n17 3f3e 4mme 3f3a 3f3c 3f3e 3f3d\n18 2cet 2cet 2wbg 2j78 2j7h 2cbv\n19 4gid 4gid 2vkm 4djv 3rsx 3udh\n20 4pcs 2xii 4jfs 4j28 4pcs 2wvt\n21 3ge7 3ge7 3gc5 3rr4 1s38 1r5y\n22 3e93 3e93 4f9w 2zb1 3e92 4dli\n23 3qqs 4gkm 3qqs 3r88 4owm 3twp\n24 2r9w 2r9w 4jxs 4kz6 3gr2 3gv9\n25 2qbp 2qbp 2qbq 2qbr 1bzc 2hb1\n26 3ag9 3ag9 1q8u 1ydt 1ydr 1q8t\n27 4tmn 4tmn 5tmn 1qf1 1z9g 3fcq\n28 3coy 3ivg 3coz 3coy 4ddh 4ddk\n29 2fvd 4eor 2xnb 1pxn 2fvd 3pxf\n30 4ivc 4ivd 4ivb 4ivc 4e5w 4k77\n31 4jia 4jia 4e6q 4f09 4gfm 4hge\n32 1nvq 1nvq 2br1 2brb 3jvs 3jvr\n33 2zcq 2zcr 2zy1 4ea2 3acw 2zcq\n34 3utu 3utu 3bv9 1oyt 2zda 1bcu\n35 2p4y 2p4y 3b1m 3fur 2yfe 3u9q\n36 3myg 3e5a 2wtv 3uo4 3myg 3up2\n37 1sqa 1sqa 1owh 1o5b 1c5z 3kgp\n38 3dd0 3dd0 3ryj 2weg 4jsz 3kwa\n39 2yki 2yki 1yc1 3rlr 3b27 2xdl\n40 3g0w 1z95 3b68 3b5r 3g0w 3b65\n41 2al5 1p1n 4u4s 1syi 1p1q 2al5\n42 4de1 4de2 4de1 4de3 3g31 3g2z\n43 3fv1 1vso 4dld 3fv2 3fv1 3gbb\n44 2p15 2qe4 2p15 1qkt 2pog 4mgd\n45 1mq6 1lpg 1z6e 2xbv 2y5h 1mq6\n46 4f3c 4f3c 1y6r 4f2w 1nc1 1nc3\n47 1o3f 1o3f 1k1i 4abg 3gy4 1uto\n48 2vw5 2yge 2vw5 2fxs 2wer 2iwx\n49 3kr8 3kr8 4kzq 4j3l 4kzu 4j21\n50 2x00 2x00 2xys 2wnc 2wn9 2ymd\n51 3nw9 3nw9 3oe4 3oe5 3ozs 3ozt\n52 3zso 3zso 4cig 3zsx 3zt2 3ao4\n53 2xb8 2xb8 3n86 3n76 4ciw 3n7a\n54 4w9h 4w9l 4w9i 4w9h 4w9c 4bkt\n55 3uex 3uex 3uew 3uev 3ueu 3nq9\n56 4gr0 4gr0 3tsk 3nx7 3ehy 3lka\n57 1u1b 1u1b 1o0h 3d6q 1w4o 3dxg\n\nSummary of the ranking power: ===========================================\nThe Spearman correlation coefficient (SP) = 0.553\nThe Kendall correlation coefficient (tau) = 0.488\nThe Predictive index (PI) = 0.574\n=========================================================================\n\n\nTemplate command for running the bootstrap in R program==================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_Spearman.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock_Spearman-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=========================================================================\n\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/RankingPower_Deepdock_all.out", "content": " Target Rank1 Rank2 Rank3 Rank4 Rank5\n1 5c2h 5c2h 3uuo 3ui7 5c28 4llx\n2 3uri 3prs 3uri 3pww 3wz8 2v00\n3 4rfm 3qgy 4rfm 4qd6 4m0y 4m0z\n4 4ty7 4crc 4x6p 4cra 4ty7 4cr9\n5 4agq 4agq 5a7b 4agp 4agn 5aba\n6 5dwr 5dwr 4k18 3bgz 2c3i 3jya\n7 4twp 2v7a 4twp 3pyy 3k5v 3mss\n8 3u8n 4qac 3u8n 3wtj 3u8k 3zdg\n9 3o9i 1eby 3o9i 1g2k 2qnq 1a30\n10 3p5o 3p5o 4ogj 4wiv 3u5j 4lzs\n11 3ejr 3ejr 1ps3 3d4z 3dx2 3dx1\n12 3ebp 4eky 3g2n 3syr 3ebp 3l7b\n13 2vvn 2wca 2vvn 2w4x 2xj7 2w66\n14 3arp 3arp 3arq 3arv 3aru 3ary\n15 3gnw 3gnw 4eo8 3cj4 4ih7 4ih5\n16 1e66 1h22 1h23 1e66 1gpn 1gpk\n17 3f3e 4mme 3f3a 3f3c 3f3e 3f3d\n18 2cet 2cet 2wbg 2j78 2j7h 2cbv\n19 4gid 4gid 2vkm 4djv 3rsx 3udh\n20 4pcs 2xii 4jfs 4j28 4pcs 2wvt\n21 3ge7 3ge7 3gc5 3rr4 1s38 1r5y\n22 3e93 3e93 4f9w 2zb1 3e92 4dli\n23 3qqs 4gkm 3qqs 3r88 4owm 3twp\n24 2r9w 2r9w 4jxs 4kz6 3gr2 3gv9\n25 2qbp 2qbp 2qbq 2qbr 1bzc 2hb1\n26 3ag9 3ag9 1q8u 1ydt 1ydr 1q8t\n27 4tmn 5tmn 4tmn 1qf1 1z9g 3fcq\n28 3coy 3ivg 3coz 3coy 4ddh 4ddk\n29 2fvd 4eor 2xnb 1pxn 2fvd 3pxf\n30 4ivc 4ivd 4ivb 4ivc 4e5w 4k77\n31 4jia 4jia 4e6q 4f09 4gfm 4hge\n32 1nvq 1nvq 2br1 2brb 3jvs 3jvr\n33 2zcq 2zcr 2zy1 4ea2 3acw 2zcq\n34 3utu 3utu 3bv9 1oyt 2zda 1bcu\n35 2p4y 2p4y 3b1m 3fur 2yfe 3u9q\n36 3myg 3e5a 2wtv 3uo4 3myg 3up2\n37 1sqa 1sqa 1owh 1o5b 1c5z 3kgp\n38 3dd0 3dd0 3ryj 2weg 4jsz 3kwa\n39 2yki 2yki 1yc1 3rlr 3b27 2xdl\n40 3g0w 1z95 3b68 3b5r 3g0w 3b65\n41 2al5 1p1n 4u4s 1syi 1p1q 2al5\n42 4de1 4de2 4de1 4de3 3g31 3g2z\n43 3fv1 1vso 4dld 3fv2 3fv1 3gbb\n44 2p15 2qe4 2p15 1qkt 2pog 4mgd\n45 1mq6 1lpg 1z6e 2xbv 2y5h 1mq6\n46 4f3c 4f3c 1y6r 4f2w 1nc1 1nc3\n47 1o3f 1o3f 1k1i 4abg 3gy4 1uto\n48 2vw5 2yge 2vw5 2fxs 2wer 2iwx\n49 3kr8 3kr8 4kzq 4j3l 4kzu 4j21\n50 2x00 2x00 2xys 2wnc 2wn9 2ymd\n51 3nw9 3nw9 3oe4 3oe5 3ozs 3ozt\n52 3zso 3zso 3zsx 4cig 3zt2 3ao4\n53 2xb8 2xb8 3n86 3n76 4ciw 3n7a\n54 4w9h 4w9l 4w9i 4w9h 4w9c 4bkt\n55 3uex 3uex 3uew 3uev 3ueu 3nq9\n56 4gr0 4gr0 3tsk 3nx7 3ehy 3lka\n57 1u1b 1u1b 1o0h 3d6q 1w4o 3dxg\n\nSummary of the ranking power: ===========================================\nThe Spearman correlation coefficient (SP) = 0.549\nThe Kendall correlation coefficient (tau) = 0.481\nThe Predictive index (PI) = 0.571\n=========================================================================\n\n\nTemplate command for running the bootstrap in R program==================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_Spearman.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock_Spearman-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=========================================================================\n\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/ScoringPower_Deepdock_10A.out", "content": " code logKa score\n1 4llx 2.89 488.485836\n2 5c28 5.66 799.979426\n3 3uuo 7.96 1365.436127\n4 3ui7 9.00 1336.729408\n5 5c2h 11.09 1928.729965\n6 2v00 3.66 939.755448\n7 3wz8 5.82 1551.189536\n8 3pww 7.32 2524.534776\n9 3prs 7.82 2646.551418\n10 3uri 9.00 2565.377822\n11 4m0z 5.19 1044.953879\n12 4m0y 6.46 1130.363663\n13 3qgy 7.80 2300.880740\n14 4qd6 8.64 1563.707801\n15 4rfm 10.05 2014.547597\n16 4cr9 4.10 919.809767\n17 4cra 7.22 1734.068242\n18 4x6p 8.30 2188.206083\n19 4crc 8.72 2225.477868\n20 4ty7 9.52 1674.056048\n21 5aba 2.98 1150.574142\n22 5a7b 3.57 1529.209757\n23 4agn 3.97 1334.546915\n24 4agp 4.69 1486.235859\n25 4agq 5.01 1534.064000\n26 3bgz 6.26 1175.876432\n27 3jya 6.89 829.518701\n28 2c3i 7.60 1114.417150\n29 4k18 8.96 1410.016257\n30 5dwr 11.22 1639.747702\n31 3mss 4.66 873.283864\n32 3k5v 6.30 1098.756667\n33 3pyy 6.86 1119.538126\n34 2v7a 8.30 2594.908667\n35 4twp 10.00 1976.339974\n36 3wtj 6.53 811.561856\n37 3zdg 7.10 565.142814\n38 3u8k 8.66 728.185206\n39 4qac 9.40 1154.767306\n40 3u8n 10.17 826.009204\n41 1a30 4.30 1449.325846\n42 2qnq 6.11 2330.286233\n43 1g2k 7.96 2436.416070\n44 1eby 9.70 4150.246496\n45 3o9i 11.82 3643.071880\n46 4lzs 4.80 891.826868\n47 3u5j 5.61 1158.039586\n48 4wiv 6.26 1277.014716\n49 4ogj 6.79 1415.516679\n50 3p5o 7.30 1713.639779\n51 1ps3 2.28 1095.833285\n52 3dx1 3.58 462.383538\n53 3d4z 4.89 1019.998752\n54 3dx2 6.82 715.469787\n55 3ejr 8.57 1361.745177\n56 3l7b 2.40 1118.146705\n57 4eky 3.52 1626.754734\n58 3g2n 4.09 1410.316498\n59 3syr 5.10 1336.491334\n60 3ebp 5.91 1183.581304\n61 2w66 4.05 617.274746\n62 2w4x 4.85 897.739160\n63 2wca 5.60 972.519185\n64 2xj7 6.66 812.854739\n65 2vvn 7.30 935.366644\n66 3aru 3.22 997.750471\n67 3arv 5.64 1300.660917\n68 3ary 6.00 908.371873\n69 3arq 6.40 1514.014781\n70 3arp 7.15 1663.648956\n71 4ih5 4.11 674.956148\n72 4ih7 5.24 814.753748\n73 3cj4 6.51 993.899279\n74 4eo8 8.15 1418.255336\n75 3gnw 9.10 1883.303530\n76 1gpk 5.37 825.251627\n77 1gpn 6.48 849.312918\n78 1h23 8.35 1417.125751\n79 1h22 9.10 1447.389048\n80 1e66 9.89 1056.173717\n81 3f3a 4.19 698.859886\n82 3f3c 6.02 373.497874\n83 4mme 6.50 1059.853220\n84 3f3d 7.16 220.592495\n85 3f3e 7.70 247.427831\n86 2wbg 4.45 1232.268525\n87 2cbv 5.48 477.743804\n88 2j78 6.42 643.201307\n89 2j7h 7.19 614.881185\n90 2cet 8.02 1363.628734\n91 3udh 2.85 895.604369\n92 3rsx 4.41 1127.074760\n93 4djv 6.72 1559.008854\n94 2vkm 8.74 3089.808040\n95 4gid 10.77 3247.984619\n96 4jfs 5.27 966.567332\n97 4j28 5.70 878.951002\n98 2wvt 6.12 571.366333\n99 2xii 7.20 1405.294347\n100 4pcs 7.85 834.009425\n101 3rr4 4.55 1339.626819\n102 1s38 5.15 975.403414\n103 1r5y 6.46 947.872615\n104 3gc5 7.26 1641.654339\n105 3ge7 8.70 2079.155231\n106 4dli 5.62 1250.928658\n107 2zb1 6.32 1679.830638\n108 4f9w 6.94 1766.483908\n109 3e92 8.00 1553.386849\n110 3e93 8.85 2132.071372\n111 4owm 2.96 677.014337\n112 3twp 3.92 582.900282\n113 3r88 4.82 781.495776\n114 4gkm 5.17 1255.928117\n115 3qqs 5.82 1065.881687\n116 3gv9 2.12 730.221590\n117 3gr2 2.52 787.772435\n118 4kz6 3.10 834.625106\n119 4jxs 4.74 1269.109500\n120 2r9w 5.10 1459.480768\n121 2hb1 3.80 842.174933\n122 1bzc 4.92 1389.211419\n123 2qbr 6.33 1557.175856\n124 2qbq 7.44 1563.400679\n125 2qbp 8.40 1903.325395\n126 1q8t 4.76 1157.631590\n127 1ydr 5.52 1468.756740\n128 1q8u 5.96 1550.541535\n129 1ydt 7.32 1516.480007\n130 3ag9 8.05 2913.828297\n131 3fcq 2.77 651.828275\n132 1z9g 5.64 907.316758\n133 1qf1 7.32 1345.881944\n134 5tmn 8.04 1831.983448\n135 4tmn 10.17 1829.719747\n136 4ddk 2.29 465.831593\n137 4ddh 3.32 711.122818\n138 3ivg 4.30 2043.792186\n139 3coz 5.57 1387.255540\n140 3coy 6.02 1315.114415\n141 3pxf 4.43 1101.899273\n142 4eor 6.30 2525.927353\n143 2xnb 6.83 2067.147480\n144 1pxn 7.15 1972.507201\n145 2fvd 8.52 1878.524937\n146 4k77 6.63 1512.373016\n147 4e5w 7.66 2059.426070\n148 4ivb 8.72 2191.425966\n149 4ivd 9.52 2314.575009\n150 4ivc 10.00 2136.098287\n151 4f09 6.70 1906.871889\n152 4gfm 7.22 1317.510137\n153 4hge 7.92 1269.047613\n154 4e6q 8.36 2012.749747\n155 4jia 9.22 2077.843551\n156 2brb 4.86 2316.325426\n157 2br1 5.14 2406.979462\n158 3jvr 5.72 908.090599\n159 3jvs 6.54 1158.288630\n160 1nvq 8.25 2838.231758\n161 3acw 4.76 1035.342242\n162 4ea2 6.44 1094.332695\n163 2zcr 6.87 1485.633741\n164 2zy1 7.40 1108.476218\n165 2zcq 8.82 988.420825\n166 1bcu 3.28 853.523041\n167 3bv9 5.36 1963.292413\n168 1oyt 7.24 1945.689522\n169 2zda 8.40 1802.362142\n170 3utu 10.92 2596.189098\n171 3u9q 4.38 547.177022\n172 2yfe 6.63 1255.420617\n173 3fur 8.00 1572.440451\n174 3b1m 8.48 1669.579452\n175 2p4y 9.00 1796.915053\n176 3uo4 6.52 2236.886060\n177 3up2 7.40 2009.312890\n178 3e5a 8.23 2647.424869\n179 2wtv 8.74 2552.184131\n180 3myg 10.70 2196.868620\n181 3kgp 2.57 547.803006\n182 1c5z 4.01 660.249893\n183 1o5b 5.77 1211.728584\n184 1owh 7.40 1423.692658\n185 1sqa 9.21 1859.815585\n186 4jsz 2.30 598.188772\n187 3kwa 4.08 585.894296\n188 2weg 6.50 855.302694\n189 3ryj 7.80 1148.369665\n190 3dd0 9.00 1167.993926\n191 2xdl 3.10 669.483276\n192 3b27 5.16 1331.236228\n193 1yc1 6.17 1872.658902\n194 3rlr 7.52 1732.353546\n195 2yki 9.46 1880.705082\n196 1z95 7.12 1063.621309\n197 3b68 8.40 1034.488375\n198 3b5r 8.77 822.917974\n199 3b65 9.27 735.693473\n200 3g0w 9.52 809.880126\n201 4u4s 2.92 913.997719\n202 1p1q 4.89 463.358569\n203 1syi 5.44 630.234685\n204 1p1n 6.80 919.188195\n205 2al5 8.40 434.793257\n206 3g2z 2.36 620.192062\n207 3g31 2.89 634.019802\n208 4de2 4.12 1075.828780\n209 4de3 5.52 969.168415\n210 4de1 5.96 1043.952605\n211 1vso 4.72 1243.989530\n212 4dld 5.82 1106.061559\n213 3gbb 6.90 234.220007\n214 3fv2 8.11 667.508766\n215 3fv1 9.30 642.617723\n216 4mgd 4.69 638.906726\n217 2qe4 7.96 1137.895137\n218 1qkt 9.04 979.852661\n219 2pog 9.54 903.980797\n220 2p15 10.30 1102.480015\n221 2y5h 5.79 1625.330387\n222 1lpg 7.09 2303.187156\n223 2xbv 8.43 1814.559438\n224 1z6e 9.72 2140.297735\n225 1mq6 11.15 1555.959079\n226 1nc3 5.00 521.268861\n227 1nc1 6.12 1061.644936\n228 1y6r 10.11 1253.082887\n229 4f2w 11.30 1181.068998\n230 4f3c 11.82 1421.772865\n231 1uto 2.27 567.576805\n232 4abg 3.57 988.582742\n233 3gy4 5.10 791.525825\n234 1k1i 6.58 1765.390656\n235 1o3f 7.96 1823.100100\n236 2yge 5.06 1741.829868\n237 2fxs 6.06 1562.591844\n238 2iwx 6.68 1516.195473\n239 2wer 7.05 1547.726264\n240 2vw5 8.52 1671.435265\n241 4kzq 6.10 1791.929719\n242 4kzu 6.50 1282.939660\n243 4j21 7.41 1145.349798\n244 4j3l 7.80 1531.240605\n245 3kr8 8.10 1829.245329\n246 2ymd 3.16 530.838526\n247 2wnc 6.32 1221.607545\n248 2xys 7.42 1313.155357\n249 2wn9 8.52 964.182956\n250 2x00 11.33 1585.690689\n251 3ozt 4.13 1758.961263\n252 3ozs 5.33 1822.793136\n253 3oe5 6.88 1844.638780\n254 3oe4 7.47 1883.051595\n255 3nw9 9.00 2354.521820\n256 3ao4 2.07 1008.053762\n257 3zt2 2.84 1407.188860\n258 3zsx 3.28 1632.164306\n259 4cig 3.67 1627.075244\n260 3zso 5.12 1893.199795\n261 3n7a 3.70 586.097800\n262 4ciw 4.82 599.451835\n263 3n86 5.64 938.969656\n264 3n76 6.85 844.332758\n265 2xb8 7.59 1183.263421\n266 4bkt 3.62 783.666148\n267 4w9c 4.65 1256.535443\n268 4w9l 5.02 1882.989023\n269 4w9i 5.96 1547.957124\n270 4w9h 6.73 1399.898431\n271 3nq9 4.03 528.891815\n272 3ueu 5.24 632.584549\n273 3uev 5.89 643.075688\n274 3uew 6.31 734.386874\n275 3uex 6.92 775.581437\n276 3lka 2.82 752.296182\n277 3ehy 5.85 1042.759585\n278 3tsk 7.17 1857.431744\n279 3nx7 8.10 1163.425574\n280 4gr0 9.55 2278.343073\n281 3dxg 2.40 936.362900\n282 3d6q 3.76 1057.540647\n283 1w4o 5.22 1019.881666\n284 1o0h 5.92 1160.242378\n285 1u1b 7.80 1917.695016\n\nSummary of the scoring power: ===================================\nThe regression equation: logKa = 0.00 + 4.15 * Score\nNumber of favorable sample (N) = 285\nPearson correlation coefficient (R) = 0.491\nStandard deviation in fitting (SD) = 1.89\n=================================================================\n\nTemplate command for running the bootstrap in R program==========\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_processed_score\",header=TRUE);\naa<-c(1:nrow(data_all));\n\nmycore<-function(x,indices)\n{\ndata_1<-matrix(NA,285,2);\nfor(i in 1:285);\n {\n data_1[i,1]=data_all[x[indices][i],2];\n data_1[i,2]=data_all[x[indices][i],3];\n }\n data_2<-data.frame(data_1);\n names(data_2)<-c(\"a\",\"b\");\n cor(data_2$a,data_2$b);\n};\n\ndata.boot<-boot(aa,mycore,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=================================================================\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/ScoringPower_Deepdock_3A.out", "content": " code logKa score\n1 4llx 2.89 46.006832\n2 5c28 5.66 53.683839\n3 3uuo 7.96 60.621354\n4 3ui7 9.00 90.675243\n5 5c2h 11.09 155.398175\n6 2v00 3.66 44.072574\n7 3wz8 5.82 70.190698\n8 3pww 7.32 109.473617\n9 3prs 7.82 130.707258\n10 3uri 9.00 108.931827\n11 4m0z 5.19 125.056417\n12 4m0y 6.46 48.503558\n13 3qgy 7.80 180.134774\n14 4qd6 8.64 78.292989\n15 4rfm 10.05 170.941646\n16 4cr9 4.10 98.147175\n17 4cra 7.22 136.722133\n18 4x6p 8.30 230.740653\n19 4crc 8.72 220.484654\n20 4ty7 9.52 108.410877\n21 5aba 2.98 71.496114\n22 5a7b 3.57 38.461768\n23 4agn 3.97 82.345960\n24 4agp 4.69 72.656634\n25 4agq 5.01 74.294380\n26 3bgz 6.26 75.060614\n27 3jya 6.89 84.334242\n28 2c3i 7.60 55.994724\n29 4k18 8.96 64.253687\n30 5dwr 11.22 125.117750\n31 3mss 4.66 65.634722\n32 3k5v 6.30 65.389897\n33 3pyy 6.86 84.931986\n34 2v7a 8.30 242.410698\n35 4twp 10.00 206.618713\n36 3wtj 6.53 49.566854\n37 3zdg 7.10 53.175846\n38 3u8k 8.66 53.869413\n39 4qac 9.40 83.284406\n40 3u8n 10.17 90.686455\n41 1a30 4.30 53.961678\n42 2qnq 6.11 122.029500\n43 1g2k 7.96 125.526185\n44 1eby 9.70 302.528842\n45 3o9i 11.82 268.378405\n46 4lzs 4.80 60.471774\n47 3u5j 5.61 61.718263\n48 4wiv 6.26 54.853002\n49 4ogj 6.79 49.295855\n50 3p5o 7.30 84.955471\n51 1ps3 2.28 118.270192\n52 3dx1 3.58 49.944768\n53 3d4z 4.89 117.986366\n54 3dx2 6.82 77.622618\n55 3ejr 8.57 113.528176\n56 3l7b 2.40 78.020435\n57 4eky 3.52 156.047317\n58 3g2n 4.09 128.787449\n59 3syr 5.10 135.982544\n60 3ebp 5.91 36.457588\n61 2w66 4.05 51.418340\n62 2w4x 4.85 65.656570\n63 2wca 5.60 60.141311\n64 2xj7 6.66 85.491926\n65 2vvn 7.30 121.258714\n66 3aru 3.22 51.940529\n67 3arv 5.64 42.800724\n68 3ary 6.00 33.792454\n69 3arq 6.40 41.465895\n70 3arp 7.15 73.431730\n71 4ih5 4.11 42.658822\n72 4ih7 5.24 35.630378\n73 3cj4 6.51 76.927938\n74 4eo8 8.15 95.613811\n75 3gnw 9.10 80.694028\n76 1gpk 5.37 51.904087\n77 1gpn 6.48 45.627045\n78 1h23 8.35 65.358342\n79 1h22 9.10 77.068468\n80 1e66 9.89 84.864730\n81 3f3a 4.19 60.302239\n82 3f3c 6.02 81.402712\n83 4mme 6.50 93.568475\n84 3f3d 7.16 45.231352\n85 3f3e 7.70 49.102009\n86 2wbg 4.45 132.810900\n87 2cbv 5.48 49.675354\n88 2j78 6.42 93.424211\n89 2j7h 7.19 97.900405\n90 2cet 8.02 148.893401\n91 3udh 2.85 55.452881\n92 3rsx 4.41 57.199795\n93 4djv 6.72 81.961577\n94 2vkm 8.74 254.916304\n95 4gid 10.77 282.806825\n96 4jfs 5.27 57.518409\n97 4j28 5.70 57.717851\n98 2wvt 6.12 45.551338\n99 2xii 7.20 89.335081\n100 4pcs 7.85 60.930957\n101 3rr4 4.55 159.924564\n102 1s38 5.15 145.835154\n103 1r5y 6.46 110.202749\n104 3gc5 7.26 240.426248\n105 3ge7 8.70 231.224481\n106 4dli 5.62 111.244809\n107 2zb1 6.32 138.564450\n108 4f9w 6.94 121.313222\n109 3e92 8.00 151.937270\n110 3e93 8.85 169.422386\n111 4owm 2.96 48.905680\n112 3twp 3.92 36.865413\n113 3r88 4.82 39.315189\n114 4gkm 5.17 116.546298\n115 3qqs 5.82 85.014853\n116 3gv9 2.12 51.972430\n117 3gr2 2.52 27.788879\n118 4kz6 3.10 43.053031\n119 4jxs 4.74 97.513387\n120 2r9w 5.10 66.353318\n121 2hb1 3.80 108.478492\n122 1bzc 4.92 142.208439\n123 2qbr 6.33 122.685506\n124 2qbq 7.44 120.796277\n125 2qbp 8.40 129.983303\n126 1q8t 4.76 114.807850\n127 1ydr 5.52 158.363742\n128 1q8u 5.96 139.443375\n129 1ydt 7.32 115.249411\n130 3ag9 8.05 183.892302\n131 3fcq 2.77 42.252290\n132 1z9g 5.64 66.762977\n133 1qf1 7.32 118.926699\n134 5tmn 8.04 128.011396\n135 4tmn 10.17 116.127253\n136 4ddk 2.29 40.874314\n137 4ddh 3.32 43.686782\n138 3ivg 4.30 206.889819\n139 3coz 5.57 127.917616\n140 3coy 6.02 100.180555\n141 3pxf 4.43 64.957940\n142 4eor 6.30 244.288511\n143 2xnb 6.83 191.584871\n144 1pxn 7.15 207.811298\n145 2fvd 8.52 148.394352\n146 4k77 6.63 162.227414\n147 4e5w 7.66 214.529047\n148 4ivb 8.72 240.889570\n149 4ivd 9.52 230.792116\n150 4ivc 10.00 220.531263\n151 4f09 6.70 217.218493\n152 4gfm 7.22 125.987943\n153 4hge 7.92 82.638896\n154 4e6q 8.36 188.809050\n155 4jia 9.22 158.907810\n156 2brb 4.86 225.096355\n157 2br1 5.14 203.160090\n158 3jvr 5.72 57.427747\n159 3jvs 6.54 53.342917\n160 1nvq 8.25 238.160979\n161 3acw 4.76 63.560749\n162 4ea2 6.44 46.924827\n163 2zcr 6.87 89.452980\n164 2zy1 7.40 56.243943\n165 2zcq 8.82 41.668293\n166 1bcu 3.28 30.149219\n167 3bv9 5.36 92.785223\n168 1oyt 7.24 133.768319\n169 2zda 8.40 165.499685\n170 3utu 10.92 225.238752\n171 3u9q 4.38 66.344683\n172 2yfe 6.63 68.402207\n173 3fur 8.00 97.407663\n174 3b1m 8.48 75.600022\n175 2p4y 9.00 57.904639\n176 3uo4 6.52 211.093366\n177 3up2 7.40 176.674459\n178 3e5a 8.23 207.456156\n179 2wtv 8.74 237.523945\n180 3myg 10.70 201.522548\n181 3kgp 2.57 54.884852\n182 1c5z 4.01 114.184604\n183 1o5b 5.77 160.934669\n184 1owh 7.40 113.993272\n185 1sqa 9.21 136.562845\n186 4jsz 2.30 42.455530\n187 3kwa 4.08 30.993735\n188 2weg 6.50 105.705368\n189 3ryj 7.80 85.485450\n190 3dd0 9.00 104.864404\n191 2xdl 3.10 25.046986\n192 3b27 5.16 118.778690\n193 1yc1 6.17 150.779664\n194 3rlr 7.52 175.677255\n195 2yki 9.46 179.457791\n196 1z95 7.12 109.986167\n197 3b68 8.40 132.188395\n198 3b5r 8.77 85.140320\n199 3b65 9.27 83.672422\n200 3g0w 9.52 104.256952\n201 4u4s 2.92 74.648148\n202 1p1q 4.89 74.869789\n203 1syi 5.44 116.939816\n204 1p1n 6.80 74.773960\n205 2al5 8.40 82.933954\n206 3g2z 2.36 36.095922\n207 3g31 2.89 18.029257\n208 4de2 4.12 82.624852\n209 4de3 5.52 80.573833\n210 4de1 5.96 87.428835\n211 1vso 4.72 63.565775\n212 4dld 5.82 90.629999\n213 3gbb 6.90 0.068905\n214 3fv2 8.11 89.064243\n215 3fv1 9.30 67.784966\n216 4mgd 4.69 62.414925\n217 2qe4 7.96 59.183183\n218 1qkt 9.04 62.406758\n219 2pog 9.54 37.595059\n220 2p15 10.30 68.519878\n221 2y5h 5.79 151.755273\n222 1lpg 7.09 193.221489\n223 2xbv 8.43 173.305781\n224 1z6e 9.72 251.220752\n225 1mq6 11.15 127.438896\n226 1nc3 5.00 46.865113\n227 1nc1 6.12 134.332158\n228 1y6r 10.11 180.901224\n229 4f2w 11.30 179.334800\n230 4f3c 11.82 206.678701\n231 1uto 2.27 61.823359\n232 4abg 3.57 112.163329\n233 3gy4 5.10 111.292484\n234 1k1i 6.58 144.291750\n235 1o3f 7.96 187.713205\n236 2yge 5.06 79.256147\n237 2fxs 6.06 142.777812\n238 2iwx 6.68 134.222030\n239 2wer 7.05 129.095595\n240 2vw5 8.52 58.165915\n241 4kzq 6.10 241.545978\n242 4kzu 6.50 134.368992\n243 4j21 7.41 70.457090\n244 4j3l 7.80 93.728649\n245 3kr8 8.10 234.239752\n246 2ymd 3.16 33.902770\n247 2wnc 6.32 37.321718\n248 2xys 7.42 47.127483\n249 2wn9 8.52 43.539791\n250 2x00 11.33 35.552532\n251 3ozt 4.13 133.313810\n252 3ozs 5.33 135.973420\n253 3oe5 6.88 138.495948\n254 3oe4 7.47 145.223162\n255 3nw9 9.00 192.434012\n256 3ao4 2.07 85.238517\n257 3zt2 2.84 104.257703\n258 3zsx 3.28 86.119741\n259 4cig 3.67 85.953388\n260 3zso 5.12 89.340178\n261 3n7a 3.70 57.976716\n262 4ciw 4.82 106.013807\n263 3n86 5.64 170.665258\n264 3n76 6.85 141.733751\n265 2xb8 7.59 107.561213\n266 4bkt 3.62 49.777382\n267 4w9c 4.65 76.864284\n268 4w9l 5.02 109.219926\n269 4w9i 5.96 96.535390\n270 4w9h 6.73 88.941515\n271 3nq9 4.03 33.475880\n272 3ueu 5.24 40.289995\n273 3uev 5.89 58.537909\n274 3uew 6.31 54.739588\n275 3uex 6.92 48.976738\n276 3lka 2.82 46.046567\n277 3ehy 5.85 79.519690\n278 3tsk 7.17 118.591629\n279 3nx7 8.10 72.723710\n280 4gr0 9.55 173.939823\n281 3dxg 2.40 58.198020\n282 3d6q 3.76 52.573059\n283 1w4o 5.22 75.319096\n284 1o0h 5.92 81.719061\n285 1u1b 7.80 102.354347\n\nSummary of the scoring power: ===================================\nThe regression equation: logKa = 0.02 + 4.70 * Score\nNumber of favorable sample (N) = 285\nPearson correlation coefficient (R) = 0.460\nStandard deviation in fitting (SD) = 1.93\n=================================================================\n\nTemplate command for running the bootstrap in R program==========\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_processed_score\",header=TRUE);\naa<-c(1:nrow(data_all));\n\nmycore<-function(x,indices)\n{\ndata_1<-matrix(NA,285,2);\nfor(i in 1:285);\n {\n data_1[i,1]=data_all[x[indices][i],2];\n data_1[i,2]=data_all[x[indices][i],3];\n }\n data_2<-data.frame(data_1);\n names(data_2)<-c(\"a\",\"b\");\n cor(data_2$a,data_2$b);\n};\n\ndata.boot<-boot(aa,mycore,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=================================================================\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/ScoringPower_Deepdock_5A.out", "content": " code logKa score\n1 4llx 2.89 197.233354\n2 5c28 5.66 251.058019\n3 3uuo 7.96 486.254904\n4 3ui7 9.00 492.257487\n5 5c2h 11.09 694.232757\n6 2v00 3.66 292.964116\n7 3wz8 5.82 442.908497\n8 3pww 7.32 756.232061\n9 3prs 7.82 889.956820\n10 3uri 9.00 781.003190\n11 4m0z 5.19 492.255516\n12 4m0y 6.46 332.998681\n13 3qgy 7.80 887.931450\n14 4qd6 8.64 472.520783\n15 4rfm 10.05 738.548860\n16 4cr9 4.10 366.636156\n17 4cra 7.22 656.879161\n18 4x6p 8.30 902.862204\n19 4crc 8.72 940.315048\n20 4ty7 9.52 579.669174\n21 5aba 2.98 367.182329\n22 5a7b 3.57 330.931602\n23 4agn 3.97 385.247162\n24 4agp 4.69 421.692012\n25 4agq 5.01 426.253239\n26 3bgz 6.26 423.683472\n27 3jya 6.89 353.778250\n28 2c3i 7.60 369.200838\n29 4k18 8.96 420.589871\n30 5dwr 11.22 661.149970\n31 3mss 4.66 268.808828\n32 3k5v 6.30 396.980049\n33 3pyy 6.86 398.588108\n34 2v7a 8.30 1102.151073\n35 4twp 10.00 813.154445\n36 3wtj 6.53 301.549004\n37 3zdg 7.10 290.010054\n38 3u8k 8.66 312.651141\n39 4qac 9.40 450.012570\n40 3u8n 10.17 388.873344\n41 1a30 4.30 379.010958\n42 2qnq 6.11 739.336585\n43 1g2k 7.96 759.739930\n44 1eby 9.70 1664.056033\n45 3o9i 11.82 1456.624988\n46 4lzs 4.80 307.146675\n47 3u5j 5.61 369.934844\n48 4wiv 6.26 349.935519\n49 4ogj 6.79 427.504752\n50 3p5o 7.30 539.194137\n51 1ps3 2.28 475.086865\n52 3dx1 3.58 202.245701\n53 3d4z 4.89 463.450021\n54 3dx2 6.82 312.847427\n55 3ejr 8.57 531.551005\n56 3l7b 2.40 445.156214\n57 4eky 3.52 710.659160\n58 3g2n 4.09 649.793233\n59 3syr 5.10 619.894129\n60 3ebp 5.91 271.166476\n61 2w66 4.05 247.557605\n62 2w4x 4.85 332.583024\n63 2wca 5.60 287.748379\n64 2xj7 6.66 355.674394\n65 2vvn 7.30 439.769615\n66 3aru 3.22 250.764196\n67 3arv 5.64 295.897787\n68 3ary 6.00 232.800815\n69 3arq 6.40 366.786735\n70 3arp 7.15 449.214451\n71 4ih5 4.11 238.186919\n72 4ih7 5.24 270.116762\n73 3cj4 6.51 352.470078\n74 4eo8 8.15 504.411171\n75 3gnw 9.10 484.089769\n76 1gpk 5.37 287.001728\n77 1gpn 6.48 274.184216\n78 1h23 8.35 472.449229\n79 1h22 9.10 457.004268\n80 1e66 9.89 382.531770\n81 3f3a 4.19 294.487489\n82 3f3c 6.02 272.133674\n83 4mme 6.50 440.936232\n84 3f3d 7.16 158.875514\n85 3f3e 7.70 174.560198\n86 2wbg 4.45 539.954396\n87 2cbv 5.48 229.467824\n88 2j78 6.42 324.352667\n89 2j7h 7.19 354.756221\n90 2cet 8.02 593.895126\n91 3udh 2.85 273.033519\n92 3rsx 4.41 289.677894\n93 4djv 6.72 538.632229\n94 2vkm 8.74 1144.244950\n95 4gid 10.77 1227.010394\n96 4jfs 5.27 309.455648\n97 4j28 5.70 286.029023\n98 2wvt 6.12 244.013651\n99 2xii 7.20 466.548891\n100 4pcs 7.85 267.577345\n101 3rr4 4.55 524.312471\n102 1s38 5.15 461.739524\n103 1r5y 6.46 367.109394\n104 3gc5 7.26 752.808920\n105 3ge7 8.70 899.828687\n106 4dli 5.62 530.842444\n107 2zb1 6.32 668.220427\n108 4f9w 6.94 639.916305\n109 3e92 8.00 611.532597\n110 3e93 8.85 807.917375\n111 4owm 2.96 203.739225\n112 3twp 3.92 172.549297\n113 3r88 4.82 220.097849\n114 4gkm 5.17 438.412713\n115 3qqs 5.82 373.886119\n116 3gv9 2.12 264.277443\n117 3gr2 2.52 207.701501\n118 4kz6 3.10 286.859459\n119 4jxs 4.74 441.754199\n120 2r9w 5.10 375.001757\n121 2hb1 3.80 357.737793\n122 1bzc 4.92 560.535567\n123 2qbr 6.33 622.023217\n124 2qbq 7.44 601.601343\n125 2qbp 8.40 726.436379\n126 1q8t 4.76 533.876580\n127 1ydr 5.52 691.864498\n128 1q8u 5.96 654.069187\n129 1ydt 7.32 606.264484\n130 3ag9 8.05 959.778304\n131 3fcq 2.77 261.566777\n132 1z9g 5.64 351.198771\n133 1qf1 7.32 549.829597\n134 5tmn 8.04 663.053904\n135 4tmn 10.17 670.221535\n136 4ddk 2.29 190.441475\n137 4ddh 3.32 241.866013\n138 3ivg 4.30 862.173041\n139 3coz 5.57 604.822351\n140 3coy 6.02 522.536776\n141 3pxf 4.43 372.975170\n142 4eor 6.30 1095.223609\n143 2xnb 6.83 862.726307\n144 1pxn 7.15 908.877949\n145 2fvd 8.52 730.478679\n146 4k77 6.63 687.084837\n147 4e5w 7.66 911.083642\n148 4ivb 8.72 969.394381\n149 4ivd 9.52 953.439662\n150 4ivc 10.00 880.921661\n151 4f09 6.70 827.605522\n152 4gfm 7.22 569.011929\n153 4hge 7.92 390.523195\n154 4e6q 8.36 832.164304\n155 4jia 9.22 779.674577\n156 2brb 4.86 995.299274\n157 2br1 5.14 982.523283\n158 3jvr 5.72 303.528057\n159 3jvs 6.54 348.266371\n160 1nvq 8.25 1092.741702\n161 3acw 4.76 387.654902\n162 4ea2 6.44 416.695352\n163 2zcr 6.87 578.867561\n164 2zy1 7.40 417.607811\n165 2zcq 8.82 320.537961\n166 1bcu 3.28 226.226152\n167 3bv9 5.36 596.000536\n168 1oyt 7.24 699.576308\n169 2zda 8.40 700.007886\n170 3utu 10.92 931.742760\n171 3u9q 4.38 262.889663\n172 2yfe 6.63 436.540983\n173 3fur 8.00 502.377524\n174 3b1m 8.48 546.200129\n175 2p4y 9.00 471.202897\n176 3uo4 6.52 911.202099\n177 3up2 7.40 812.448555\n178 3e5a 8.23 972.567305\n179 2wtv 8.74 1077.929841\n180 3myg 10.70 881.233327\n181 3kgp 2.57 233.406668\n182 1c5z 4.01 362.506797\n183 1o5b 5.77 618.621199\n184 1owh 7.40 544.601926\n185 1sqa 9.21 665.119456\n186 4jsz 2.30 186.574898\n187 3kwa 4.08 224.150727\n188 2weg 6.50 415.324477\n189 3ryj 7.80 465.382959\n190 3dd0 9.00 493.105983\n191 2xdl 3.10 213.951017\n192 3b27 5.16 522.241097\n193 1yc1 6.17 756.516481\n194 3rlr 7.52 743.407530\n195 2yki 9.46 796.925630\n196 1z95 7.12 535.897024\n197 3b68 8.40 548.367077\n198 3b5r 8.77 445.835735\n199 3b65 9.27 388.599125\n200 3g0w 9.52 460.543595\n201 4u4s 2.92 364.090758\n202 1p1q 4.89 299.502614\n203 1syi 5.44 391.151667\n204 1p1n 6.80 377.341754\n205 2al5 8.40 291.680552\n206 3g2z 2.36 196.328825\n207 3g31 2.89 172.796893\n208 4de2 4.12 397.235318\n209 4de3 5.52 367.534619\n210 4de1 5.96 385.239804\n211 1vso 4.72 351.375628\n212 4dld 5.82 401.926742\n213 3gbb 6.90 17.112259\n214 3fv2 8.11 378.844418\n215 3fv1 9.30 336.511617\n216 4mgd 4.69 320.807036\n217 2qe4 7.96 397.852826\n218 1qkt 9.04 395.661525\n219 2pog 9.54 279.662608\n220 2p15 10.30 507.606175\n221 2y5h 5.79 616.987968\n222 1lpg 7.09 947.198748\n223 2xbv 8.43 711.534934\n224 1z6e 9.72 971.792454\n225 1mq6 11.15 583.597499\n226 1nc3 5.00 248.993669\n227 1nc1 6.12 512.188730\n228 1y6r 10.11 654.948638\n229 4f2w 11.30 639.494471\n230 4f3c 11.82 734.852173\n231 1uto 2.27 244.950064\n232 4abg 3.57 440.297888\n233 3gy4 5.10 420.380260\n234 1k1i 6.58 677.473897\n235 1o3f 7.96 778.559612\n236 2yge 5.06 560.565460\n237 2fxs 6.06 623.347144\n238 2iwx 6.68 573.124530\n239 2wer 7.05 614.858911\n240 2vw5 8.52 506.665848\n241 4kzq 6.10 921.271895\n242 4kzu 6.50 550.663325\n243 4j21 7.41 425.676593\n244 4j3l 7.80 506.474100\n245 3kr8 8.10 936.816671\n246 2ymd 3.16 186.700586\n247 2wnc 6.32 320.953030\n248 2xys 7.42 407.848986\n249 2wn9 8.52 318.306834\n250 2x00 11.33 414.303029\n251 3ozt 4.13 597.186337\n252 3ozs 5.33 656.621739\n253 3oe5 6.88 604.021183\n254 3oe4 7.47 655.527901\n255 3nw9 9.00 860.599174\n256 3ao4 2.07 361.757745\n257 3zt2 2.84 487.815858\n258 3zsx 3.28 480.032641\n259 4cig 3.67 492.191299\n260 3zso 5.12 569.575882\n261 3n7a 3.70 256.833547\n262 4ciw 4.82 360.845823\n263 3n86 5.64 577.707651\n264 3n76 6.85 542.567371\n265 2xb8 7.59 533.433690\n266 4bkt 3.62 276.772659\n267 4w9c 4.65 414.549991\n268 4w9l 5.02 633.153524\n269 4w9i 5.96 508.119832\n270 4w9h 6.73 448.120085\n271 3nq9 4.03 207.309272\n272 3ueu 5.24 267.424769\n273 3uev 5.89 302.369822\n274 3uew 6.31 317.950103\n275 3uex 6.92 343.009848\n276 3lka 2.82 235.125420\n277 3ehy 5.85 372.632018\n278 3tsk 7.17 654.802868\n279 3nx7 8.10 398.138890\n280 4gr0 9.55 815.519387\n281 3dxg 2.40 288.641855\n282 3d6q 3.76 291.370082\n283 1w4o 5.22 359.613391\n284 1o0h 5.92 378.504199\n285 1u1b 7.80 578.457269\n\nSummary of the scoring power: ===================================\nThe regression equation: logKa = 0.00 + 4.08 * Score\nNumber of favorable sample (N) = 285\nPearson correlation coefficient (R) = 0.527\nStandard deviation in fitting (SD) = 1.85\n=================================================================\n\nTemplate command for running the bootstrap in R program==========\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_processed_score\",header=TRUE);\naa<-c(1:nrow(data_all));\n\nmycore<-function(x,indices)\n{\ndata_1<-matrix(NA,285,2);\nfor(i in 1:285);\n {\n data_1[i,1]=data_all[x[indices][i],2];\n data_1[i,2]=data_all[x[indices][i],3];\n }\n data_2<-data.frame(data_1);\n names(data_2)<-c(\"a\",\"b\");\n cor(data_2$a,data_2$b);\n};\n\ndata.boot<-boot(aa,mycore,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=================================================================\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/ScoringPower_Deepdock_7A.out", "content": " code logKa score\n1 4llx 2.89 479.909528\n2 5c28 5.66 782.650931\n3 3uuo 7.96 1338.555604\n4 3ui7 9.00 1309.679226\n5 5c2h 11.09 1884.047986\n6 2v00 3.66 904.173295\n7 3wz8 5.82 1523.695507\n8 3pww 7.32 2463.998894\n9 3prs 7.82 2592.672663\n10 3uri 9.00 2505.470325\n11 4m0z 5.19 1032.467764\n12 4m0y 6.46 1095.226762\n13 3qgy 7.80 2245.775569\n14 4qd6 8.64 1517.743913\n15 4rfm 10.05 1969.522222\n16 4cr9 4.10 894.939216\n17 4cra 7.22 1698.451314\n18 4x6p 8.30 2138.372522\n19 4crc 8.72 2173.940609\n20 4ty7 9.52 1624.440545\n21 5aba 2.98 1112.148116\n22 5a7b 3.57 1475.946961\n23 4agn 3.97 1298.261280\n24 4agp 4.69 1439.942438\n25 4agq 5.01 1488.256079\n26 3bgz 6.26 1153.532649\n27 3jya 6.89 807.635180\n28 2c3i 7.60 1077.844758\n29 4k18 8.96 1376.762662\n30 5dwr 11.22 1606.684881\n31 3mss 4.66 840.064238\n32 3k5v 6.30 1068.862375\n33 3pyy 6.86 1095.172905\n34 2v7a 8.30 2541.927026\n35 4twp 10.00 1924.286875\n36 3wtj 6.53 788.191225\n37 3zdg 7.10 555.746413\n38 3u8k 8.66 706.512276\n39 4qac 9.40 1128.066276\n40 3u8n 10.17 807.045973\n41 1a30 4.30 1418.717343\n42 2qnq 6.11 2278.096505\n43 1g2k 7.96 2380.311361\n44 1eby 9.70 4067.073188\n45 3o9i 11.82 3566.159549\n46 4lzs 4.80 868.387751\n47 3u5j 5.61 1137.825125\n48 4wiv 6.26 1241.087278\n49 4ogj 6.79 1383.405636\n50 3p5o 7.30 1676.999748\n51 1ps3 2.28 1077.867781\n52 3dx1 3.58 449.729029\n53 3d4z 4.89 998.940233\n54 3dx2 6.82 702.101464\n55 3ejr 8.57 1327.178039\n56 3l7b 2.40 1097.351432\n57 4eky 3.52 1595.015082\n58 3g2n 4.09 1383.235553\n59 3syr 5.10 1316.484261\n60 3ebp 5.91 1150.958841\n61 2w66 4.05 600.737992\n62 2w4x 4.85 872.037574\n63 2wca 5.60 945.141791\n64 2xj7 6.66 795.018193\n65 2vvn 7.30 918.204915\n66 3aru 3.22 969.556646\n67 3arv 5.64 1262.767688\n68 3ary 6.00 881.171489\n69 3arq 6.40 1474.105634\n70 3arp 7.15 1625.524454\n71 4ih5 4.11 658.239942\n72 4ih7 5.24 787.775905\n73 3cj4 6.51 970.169107\n74 4eo8 8.15 1387.125072\n75 3gnw 9.10 1839.554423\n76 1gpk 5.37 815.182838\n77 1gpn 6.48 834.558990\n78 1h23 8.35 1392.997792\n79 1h22 9.10 1416.485234\n80 1e66 9.89 1035.403572\n81 3f3a 4.19 684.828810\n82 3f3c 6.02 372.002974\n83 4mme 6.50 1043.367315\n84 3f3d 7.16 219.481095\n85 3f3e 7.70 246.142593\n86 2wbg 4.45 1214.413274\n87 2cbv 5.48 467.187318\n88 2j78 6.42 636.592823\n89 2j7h 7.19 607.441239\n90 2cet 8.02 1336.245592\n91 3udh 2.85 860.157259\n92 3rsx 4.41 1094.763440\n93 4djv 6.72 1515.636450\n94 2vkm 8.74 3028.524945\n95 4gid 10.77 3178.594927\n96 4jfs 5.27 938.819081\n97 4j28 5.70 848.882913\n98 2wvt 6.12 559.609070\n99 2xii 7.20 1365.694736\n100 4pcs 7.85 812.384150\n101 3rr4 4.55 1305.737186\n102 1s38 5.15 954.193877\n103 1r5y 6.46 919.797849\n104 3gc5 7.26 1603.389054\n105 3ge7 8.70 2033.202850\n106 4dli 5.62 1227.198169\n107 2zb1 6.32 1640.817805\n108 4f9w 6.94 1734.352473\n109 3e92 8.00 1512.301594\n110 3e93 8.85 2074.273735\n111 4owm 2.96 645.942319\n112 3twp 3.92 559.367473\n113 3r88 4.82 750.268403\n114 4gkm 5.17 1230.990309\n115 3qqs 5.82 1033.164024\n116 3gv9 2.12 707.298443\n117 3gr2 2.52 767.133194\n118 4kz6 3.10 817.486887\n119 4jxs 4.74 1233.304376\n120 2r9w 5.10 1406.438538\n121 2hb1 3.80 828.660700\n122 1bzc 4.92 1354.775325\n123 2qbr 6.33 1513.782772\n124 2qbq 7.44 1534.853140\n125 2qbp 8.40 1862.613576\n126 1q8t 4.76 1139.851676\n127 1ydr 5.52 1445.524005\n128 1q8u 5.96 1516.627665\n129 1ydt 7.32 1493.537411\n130 3ag9 8.05 2854.781539\n131 3fcq 2.77 638.857338\n132 1z9g 5.64 887.886177\n133 1qf1 7.32 1321.944954\n134 5tmn 8.04 1792.568660\n135 4tmn 10.17 1800.080304\n136 4ddk 2.29 453.358212\n137 4ddh 3.32 697.539553\n138 3ivg 4.30 2002.873849\n139 3coz 5.57 1366.660406\n140 3coy 6.02 1295.540411\n141 3pxf 4.43 1072.848143\n142 4eor 6.30 2460.617992\n143 2xnb 6.83 2010.894657\n144 1pxn 7.15 1931.945703\n145 2fvd 8.52 1835.023583\n146 4k77 6.63 1483.005244\n147 4e5w 7.66 2020.412361\n148 4ivb 8.72 2138.813562\n149 4ivd 9.52 2259.728956\n150 4ivc 10.00 2079.026164\n151 4f09 6.70 1850.402545\n152 4gfm 7.22 1292.905568\n153 4hge 7.92 1228.461037\n154 4e6q 8.36 1951.801075\n155 4jia 9.22 2028.269822\n156 2brb 4.86 2259.615207\n157 2br1 5.14 2349.564799\n158 3jvr 5.72 887.414408\n159 3jvs 6.54 1126.409731\n160 1nvq 8.25 2766.019353\n161 3acw 4.76 1016.225868\n162 4ea2 6.44 1067.783301\n163 2zcr 6.87 1454.929494\n164 2zy1 7.40 1083.958702\n165 2zcq 8.82 967.075991\n166 1bcu 3.28 831.672782\n167 3bv9 5.36 1914.592494\n168 1oyt 7.24 1906.450134\n169 2zda 8.40 1763.022333\n170 3utu 10.92 2544.104586\n171 3u9q 4.38 538.560544\n172 2yfe 6.63 1237.032669\n173 3fur 8.00 1543.722549\n174 3b1m 8.48 1637.217855\n175 2p4y 9.00 1760.421600\n176 3uo4 6.52 2182.021239\n177 3up2 7.40 1951.460952\n178 3e5a 8.23 2572.958311\n179 2wtv 8.74 2486.572911\n180 3myg 10.70 2147.788322\n181 3kgp 2.57 526.410463\n182 1c5z 4.01 651.234014\n183 1o5b 5.77 1181.488303\n184 1owh 7.40 1394.087711\n185 1sqa 9.21 1821.445911\n186 4jsz 2.30 577.167906\n187 3kwa 4.08 575.164360\n188 2weg 6.50 836.246592\n189 3ryj 7.80 1121.549367\n190 3dd0 9.00 1144.211428\n191 2xdl 3.10 652.181533\n192 3b27 5.16 1301.736058\n193 1yc1 6.17 1835.956447\n194 3rlr 7.52 1701.024209\n195 2yki 9.46 1845.594699\n196 1z95 7.12 1054.411654\n197 3b68 8.40 1026.328769\n198 3b5r 8.77 818.404994\n199 3b65 9.27 730.792877\n200 3g0w 9.52 806.647518\n201 4u4s 2.92 892.126281\n202 1p1q 4.89 461.567189\n203 1syi 5.44 625.698625\n204 1p1n 6.80 899.948106\n205 2al5 8.40 433.054046\n206 3g2z 2.36 606.905070\n207 3g31 2.89 614.981542\n208 4de2 4.12 1048.918049\n209 4de3 5.52 944.975124\n210 4de1 5.96 1018.115700\n211 1vso 4.72 1213.521073\n212 4dld 5.82 1083.160146\n213 3gbb 6.90 224.560401\n214 3fv2 8.11 663.391807\n215 3fv1 9.30 637.992859\n216 4mgd 4.69 636.179141\n217 2qe4 7.96 1120.974663\n218 1qkt 9.04 959.894559\n219 2pog 9.54 884.731562\n220 2p15 10.30 1093.606144\n221 2y5h 5.79 1586.831522\n222 1lpg 7.09 2263.616812\n223 2xbv 8.43 1776.776076\n224 1z6e 9.72 2106.499921\n225 1mq6 11.15 1525.287950\n226 1nc3 5.00 513.166305\n227 1nc1 6.12 1034.108337\n228 1y6r 10.11 1229.393367\n229 4f2w 11.30 1166.342974\n230 4f3c 11.82 1401.240428\n231 1uto 2.27 557.640589\n232 4abg 3.57 971.349910\n233 3gy4 5.10 773.429088\n234 1k1i 6.58 1734.973486\n235 1o3f 7.96 1779.243988\n236 2yge 5.06 1701.084307\n237 2fxs 6.06 1532.497788\n238 2iwx 6.68 1468.442924\n239 2wer 7.05 1513.293210\n240 2vw5 8.52 1640.214818\n241 4kzq 6.10 1751.853974\n242 4kzu 6.50 1256.828186\n243 4j21 7.41 1120.612067\n244 4j3l 7.80 1496.212159\n245 3kr8 8.10 1793.390666\n246 2ymd 3.16 513.621619\n247 2wnc 6.32 1189.065858\n248 2xys 7.42 1284.115921\n249 2wn9 8.52 944.858190\n250 2x00 11.33 1550.590614\n251 3ozt 4.13 1718.285169\n252 3ozs 5.33 1781.337611\n253 3oe5 6.88 1800.201598\n254 3oe4 7.47 1843.529713\n255 3nw9 9.00 2310.500260\n256 3ao4 2.07 985.111360\n257 3zt2 2.84 1372.521523\n258 3zsx 3.28 1583.636476\n259 4cig 3.67 1594.211590\n260 3zso 5.12 1842.247782\n261 3n7a 3.70 574.558838\n262 4ciw 4.82 596.550857\n263 3n86 5.64 930.955926\n264 3n76 6.85 839.654207\n265 2xb8 7.59 1160.282931\n266 4bkt 3.62 764.513756\n267 4w9c 4.65 1227.660427\n268 4w9l 5.02 1841.323739\n269 4w9i 5.96 1506.143586\n270 4w9h 6.73 1371.962689\n271 3nq9 4.03 516.987080\n272 3ueu 5.24 623.577655\n273 3uev 5.89 633.925347\n274 3uew 6.31 715.332949\n275 3uex 6.92 751.292837\n276 3lka 2.82 717.969710\n277 3ehy 5.85 1015.156281\n278 3tsk 7.17 1831.067703\n279 3nx7 8.10 1130.532443\n280 4gr0 9.55 2236.823057\n281 3dxg 2.40 910.998445\n282 3d6q 3.76 1021.173594\n283 1w4o 5.22 994.004223\n284 1o0h 5.92 1135.625068\n285 1u1b 7.80 1874.659728\n\nSummary of the scoring power: ===================================\nThe regression equation: logKa = 0.00 + 4.14 * Score\nNumber of favorable sample (N) = 285\nPearson correlation coefficient (R) = 0.494\nStandard deviation in fitting (SD) = 1.89\n=================================================================\n\nTemplate command for running the bootstrap in R program==========\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_processed_score\",header=TRUE);\naa<-c(1:nrow(data_all));\n\nmycore<-function(x,indices)\n{\ndata_1<-matrix(NA,285,2);\nfor(i in 1:285);\n {\n data_1[i,1]=data_all[x[indices][i],2];\n data_1[i,2]=data_all[x[indices][i],3];\n }\n data_2<-data.frame(data_1);\n names(data_2)<-c(\"a\",\"b\");\n cor(data_2$a,data_2$b);\n};\n\ndata.boot<-boot(aa,mycore,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=================================================================\n" }, { "path": "Validation_CASF2016/ScoringPower_Deepdock/ScoringPower_Deepdock_all.out", "content": " code logKa score\n1 4llx 2.89 488.486124\n2 5c28 5.66 799.979502\n3 3uuo 7.96 1365.436134\n4 3ui7 9.00 1336.729527\n5 5c2h 11.09 1928.731622\n6 2v00 3.66 939.756819\n7 3wz8 5.82 1551.189749\n8 3pww 7.32 2524.535444\n9 3prs 7.82 2646.552284\n10 3uri 9.00 2565.410193\n11 4m0z 5.19 1044.953879\n12 4m0y 6.46 1130.363675\n13 3qgy 7.80 2300.881520\n14 4qd6 8.64 1563.709415\n15 4rfm 10.05 2014.549744\n16 4cr9 4.10 919.809954\n17 4cra 7.22 1734.068823\n18 4x6p 8.30 2188.206183\n19 4crc 8.72 2225.481374\n20 4ty7 9.52 1674.056225\n21 5aba 2.98 1150.580869\n22 5a7b 3.57 1529.209833\n23 4agn 3.97 1334.547508\n24 4agp 4.69 1486.240442\n25 4agq 5.01 1534.064118\n26 3bgz 6.26 1175.878691\n27 3jya 6.89 829.527908\n28 2c3i 7.60 1114.419309\n29 4k18 8.96 1410.016386\n30 5dwr 11.22 1639.747820\n31 3mss 4.66 873.286760\n32 3k5v 6.30 1098.757143\n33 3pyy 6.86 1119.541408\n34 2v7a 8.30 2594.910330\n35 4twp 10.00 1976.344617\n36 3wtj 6.53 811.561874\n37 3zdg 7.10 565.142841\n38 3u8k 8.66 728.185226\n39 4qac 9.40 1154.769090\n40 3u8n 10.17 826.009208\n41 1a30 4.30 1449.344253\n42 2qnq 6.11 2330.286273\n43 1g2k 7.96 2436.416147\n44 1eby 9.70 4150.246507\n45 3o9i 11.82 3643.071889\n46 4lzs 4.80 891.826958\n47 3u5j 5.61 1158.040762\n48 4wiv 6.26 1277.014781\n49 4ogj 6.79 1415.517616\n50 3p5o 7.30 1713.640279\n51 1ps3 2.28 1095.834040\n52 3dx1 3.58 462.391913\n53 3d4z 4.89 1019.998996\n54 3dx2 6.82 715.470592\n55 3ejr 8.57 1361.745616\n56 3l7b 2.40 1118.147011\n57 4eky 3.52 1626.755454\n58 3g2n 4.09 1410.316609\n59 3syr 5.10 1336.492298\n60 3ebp 5.91 1183.581340\n61 2w66 4.05 617.275613\n62 2w4x 4.85 897.742313\n63 2wca 5.60 972.527205\n64 2xj7 6.66 812.854764\n65 2vvn 7.30 935.366656\n66 3aru 3.22 997.762327\n67 3arv 5.64 1300.666881\n68 3ary 6.00 908.373139\n69 3arq 6.40 1514.021653\n70 3arp 7.15 1663.651554\n71 4ih5 4.11 674.956659\n72 4ih7 5.24 814.755215\n73 3cj4 6.51 993.915946\n74 4eo8 8.15 1418.270078\n75 3gnw 9.10 1883.315869\n76 1gpk 5.37 825.253277\n77 1gpn 6.48 849.313718\n78 1h23 8.35 1417.132903\n79 1h22 9.10 1447.391786\n80 1e66 9.89 1056.173728\n81 3f3a 4.19 698.863489\n82 3f3c 6.02 373.497874\n83 4mme 6.50 1059.853321\n84 3f3d 7.16 220.592495\n85 3f3e 7.70 247.427831\n86 2wbg 4.45 1232.268849\n87 2cbv 5.48 477.744354\n88 2j78 6.42 643.203777\n89 2j7h 7.19 614.881797\n90 2cet 8.02 1363.628776\n91 3udh 2.85 895.606775\n92 3rsx 4.41 1127.076041\n93 4djv 6.72 1559.009083\n94 2vkm 8.74 3089.809864\n95 4gid 10.77 3247.984639\n96 4jfs 5.27 966.567439\n97 4j28 5.70 878.955627\n98 2wvt 6.12 571.367631\n99 2xii 7.20 1405.294439\n100 4pcs 7.85 834.013267\n101 3rr4 4.55 1339.629877\n102 1s38 5.15 975.403447\n103 1r5y 6.46 947.872840\n104 3gc5 7.26 1641.660683\n105 3ge7 8.70 2079.157945\n106 4dli 5.62 1250.930513\n107 2zb1 6.32 1679.831195\n108 4f9w 6.94 1766.484025\n109 3e92 8.00 1553.386854\n110 3e93 8.85 2132.106964\n111 4owm 2.96 677.015938\n112 3twp 3.92 582.905750\n113 3r88 4.82 781.502981\n114 4gkm 5.17 1255.932975\n115 3qqs 5.82 1065.886733\n116 3gv9 2.12 730.223725\n117 3gr2 2.52 787.773695\n118 4kz6 3.10 834.626666\n119 4jxs 4.74 1269.114061\n120 2r9w 5.10 1459.498528\n121 2hb1 3.80 842.176732\n122 1bzc 4.92 1389.229641\n123 2qbr 6.33 1557.176565\n124 2qbq 7.44 1563.400902\n125 2qbp 8.40 1903.326061\n126 1q8t 4.76 1157.631999\n127 1ydr 5.52 1468.756757\n128 1q8u 5.96 1550.541544\n129 1ydt 7.32 1516.480018\n130 3ag9 8.05 2913.831086\n131 3fcq 2.77 651.839027\n132 1z9g 5.64 907.330800\n133 1qf1 7.32 1345.900802\n134 5tmn 8.04 1831.986614\n135 4tmn 10.17 1829.725255\n136 4ddk 2.29 465.834840\n137 4ddh 3.32 711.133014\n138 3ivg 4.30 2043.792205\n139 3coz 5.57 1387.256846\n140 3coy 6.02 1315.120464\n141 3pxf 4.43 1101.902905\n142 4eor 6.30 2525.929250\n143 2xnb 6.83 2067.151766\n144 1pxn 7.15 1972.508746\n145 2fvd 8.52 1878.525016\n146 4k77 6.63 1512.373026\n147 4e5w 7.66 2059.429875\n148 4ivb 8.72 2191.426325\n149 4ivd 9.52 2314.576552\n150 4ivc 10.00 2136.098303\n151 4f09 6.70 1906.874339\n152 4gfm 7.22 1317.510172\n153 4hge 7.92 1269.047892\n154 4e6q 8.36 2012.751103\n155 4jia 9.22 2077.843682\n156 2brb 4.86 2316.325904\n157 2br1 5.14 2406.981372\n158 3jvr 5.72 908.099630\n159 3jvs 6.54 1158.291770\n160 1nvq 8.25 2838.234807\n161 3acw 4.76 1035.342260\n162 4ea2 6.44 1094.332977\n163 2zcr 6.87 1485.663969\n164 2zy1 7.40 1108.484599\n165 2zcq 8.82 988.437807\n166 1bcu 3.28 853.524085\n167 3bv9 5.36 1963.294763\n168 1oyt 7.24 1945.689561\n169 2zda 8.40 1802.362163\n170 3utu 10.92 2596.198936\n171 3u9q 4.38 547.177267\n172 2yfe 6.63 1255.421214\n173 3fur 8.00 1572.445720\n174 3b1m 8.48 1669.582146\n175 2p4y 9.00 1796.916551\n176 3uo4 6.52 2236.888745\n177 3up2 7.40 2009.315695\n178 3e5a 8.23 2647.425475\n179 2wtv 8.74 2552.184188\n180 3myg 10.70 2196.868630\n181 3kgp 2.57 547.806531\n182 1c5z 4.01 660.250071\n183 1o5b 5.77 1211.728638\n184 1owh 7.40 1423.692915\n185 1sqa 9.21 1859.822971\n186 4jsz 2.30 598.189732\n187 3kwa 4.08 585.895797\n188 2weg 6.50 855.302976\n189 3ryj 7.80 1148.372072\n190 3dd0 9.00 1167.993927\n191 2xdl 3.10 669.483279\n192 3b27 5.16 1331.236309\n193 1yc1 6.17 1872.665546\n194 3rlr 7.52 1732.353764\n195 2yki 9.46 1880.708168\n196 1z95 7.12 1063.621309\n197 3b68 8.40 1034.488375\n198 3b5r 8.77 822.917974\n199 3b65 9.27 735.693474\n200 3g0w 9.52 809.880126\n201 4u4s 2.92 913.998692\n202 1p1q 4.89 463.358569\n203 1syi 5.44 630.234685\n204 1p1n 6.80 919.188890\n205 2al5 8.40 434.793257\n206 3g2z 2.36 620.192114\n207 3g31 2.89 634.027496\n208 4de2 4.12 1075.858529\n209 4de3 5.52 969.169913\n210 4de1 5.96 1043.952730\n211 1vso 4.72 1244.081176\n212 4dld 5.82 1106.063430\n213 3gbb 6.90 234.221420\n214 3fv2 8.11 667.508766\n215 3fv1 9.30 642.617723\n216 4mgd 4.69 638.906726\n217 2qe4 7.96 1137.895146\n218 1qkt 9.04 979.852692\n219 2pog 9.54 903.980986\n220 2p15 10.30 1102.480016\n221 2y5h 5.79 1625.330392\n222 1lpg 7.09 2303.193832\n223 2xbv 8.43 1814.559449\n224 1z6e 9.72 2140.331660\n225 1mq6 11.15 1555.962590\n226 1nc3 5.00 521.268999\n227 1nc1 6.12 1061.644961\n228 1y6r 10.11 1253.082903\n229 4f2w 11.30 1181.068999\n230 4f3c 11.82 1421.772872\n231 1uto 2.27 567.579135\n232 4abg 3.57 988.583035\n233 3gy4 5.10 791.527538\n234 1k1i 6.58 1765.391554\n235 1o3f 7.96 1823.110781\n236 2yge 5.06 1741.829959\n237 2fxs 6.06 1562.592980\n238 2iwx 6.68 1516.195572\n239 2wer 7.05 1547.726302\n240 2vw5 8.52 1671.438840\n241 4kzq 6.10 1791.931833\n242 4kzu 6.50 1282.939664\n243 4j21 7.41 1145.349871\n244 4j3l 7.80 1531.245920\n245 3kr8 8.10 1829.251447\n246 2ymd 3.16 530.838729\n247 2wnc 6.32 1221.607741\n248 2xys 7.42 1313.155975\n249 2wn9 8.52 964.183100\n250 2x00 11.33 1585.698115\n251 3ozt 4.13 1758.962472\n252 3ozs 5.33 1822.794974\n253 3oe5 6.88 1844.641024\n254 3oe4 7.47 1883.051991\n255 3nw9 9.00 2354.522193\n256 3ao4 2.07 1008.055592\n257 3zt2 2.84 1407.206185\n258 3zsx 3.28 1632.169884\n259 4cig 3.67 1627.079472\n260 3zso 5.12 1893.207889\n261 3n7a 3.70 586.097883\n262 4ciw 4.82 599.451836\n263 3n86 5.64 938.969658\n264 3n76 6.85 844.332758\n265 2xb8 7.59 1183.263474\n266 4bkt 3.62 783.666163\n267 4w9c 4.65 1256.538586\n268 4w9l 5.02 1882.992904\n269 4w9i 5.96 1547.957659\n270 4w9h 6.73 1399.898449\n271 3nq9 4.03 528.896593\n272 3ueu 5.24 632.590881\n273 3uev 5.89 643.085848\n274 3uew 6.31 734.389217\n275 3uex 6.92 775.588591\n276 3lka 2.82 752.296220\n277 3ehy 5.85 1042.760975\n278 3tsk 7.17 1857.441237\n279 3nx7 8.10 1163.434369\n280 4gr0 9.55 2278.343254\n281 3dxg 2.40 936.398780\n282 3d6q 3.76 1057.540748\n283 1w4o 5.22 1019.908614\n284 1o0h 5.92 1160.276661\n285 1u1b 7.80 1917.716108\n\nSummary of the scoring power: ===================================\nThe regression equation: logKa = 0.00 + 4.15 * Score\nNumber of favorable sample (N) = 285\nPearson correlation coefficient (R) = 0.491\nStandard deviation in fitting (SD) = 1.89\n=================================================================\n\nTemplate command for running the bootstrap in R program==========\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Deepdock_processed_score\",header=TRUE);\naa<-c(1:nrow(data_all));\n\nmycore<-function(x,indices)\n{\ndata_1<-matrix(NA,285,2);\nfor(i in 1:285);\n {\n data_1[i,1]=data_all[x[indices][i],2];\n data_1[i,2]=data_all[x[indices][i],3];\n }\n data_2<-data.frame(data_1);\n names(data_2)<-c(\"a\",\"b\");\n cor(data_2$a,data_2$b);\n};\n\ndata.boot<-boot(aa,mycore,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Deepdock-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n=================================================================\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_10A/ForwardScreeningPower_DeepDock_10A.out", "content": " Target 1 2 3 4 5 6 7 8 9 10 11 \\\n1 5c2h 3uri 3ag9 3pww 3prs 1u1b 2vkm 1eby 4gid 3utu 3bv9 1nvq \n2 3uri 3uri 3ag9 3prs 1eby 2vkm 1u1b 3pww 4gid 3bv9 3utu 4gr0 \n3 4rfm 3uri 1nvq 1u1b 3pww 3prs 3ag9 2v7a 3gnw 1eby 4gid 3utu \n4 4ty7 3uri 3ag9 3pww 1u1b 3utu 4x6p 1eby 3bv9 1lpg 3prs 4crc \n5 4agq 3uri 3ag9 1eby 1u1b 1g2k 3prs 4gid 3pww 3utu 3bv9 3gnw \n6 5dwr 3uri 3ag9 3pww 1u1b 1eby 3prs 3utu 1g2k 1nvq 3bv9 3o9i \n7 4twp 3uri 2v7a 3ag9 3pww 3bv9 3prs 1u1b 1eby 4w9l 2vkm 4gid \n8 3u8n 3ag9 3uri 1u1b 3pww 3utu 1eby 3prs 1g2k 3o9i 3bv9 3gnw \n9 3o9i 3ag9 3uri 3o9i 3prs 1u1b 3pww 1eby 4gid 2qnq 3utu 2vkm \n10 3p5o 3ag9 3uri 1u1b 3utu 3prs 1eby 3pww 3gnw 3o9i 3bv9 2qnq \n11 3ejr 1eby 3uri 3ag9 3utu 1u1b 3pww 3bv9 1nvq 3gnw 3prs 3zso \n12 3ebp 3uri 3ag9 1u1b 3prs 1eby 3bv9 3pww 1g2k 3utu 3gnw 3o9i \n13 2vvn 3pww 1u1b 3uri 3ag9 2yge 4x6p 3gnw 4w9l 3bv9 1eby 2qnq \n14 3arp 3uri 3ag9 1u1b 3utu 3pww 1eby 3prs 2vkm 3bv9 4gid 3gnw \n15 3gnw 3uri 3ag9 3prs 1u1b 3pww 1eby 1g2k 2vkm 3utu 3bv9 4gid \n16 1e66 3uri 3ag9 1u1b 3bv9 3pww 1eby 3prs 3gnw 1g2k 3utu 2vkm \n17 3f3e 3uri 3ag9 1u1b 1eby 3utu 3bv9 4gid 3prs 2vkm 3o9i 3pww \n18 2cet 3uri 3ag9 3prs 3pww 1eby 1u1b 3utu 3bv9 4x6p 4gid 4w9l \n19 4gid 3uri 3ag9 4gid 2vkm 1u1b 3pww 1eby 3prs 3bv9 4gr0 3utu \n20 4pcs 3uri 1u1b 1eby 3utu 3ag9 1g2k 3prs 3pww 2y5h 4crc 4w9l \n21 3ge7 3ag9 3uri 1u1b 1eby 3utu 4ogj 3pww 4x6p 4gid 3prs 3o9i \n22 3e93 3uri 3ag9 1u1b 3utu 3prs 1eby 3pww 2vkm 3bv9 1g2k 4gid \n23 3qqs 3uri 3ag9 1eby 3pww 3prs 3utu 3bv9 1u1b 3gnw 1g2k 4gid \n24 2r9w 3uri 3ag9 1u1b 3prs 3pww 3bv9 1eby 3utu 3o9i 3gnw 2vkm \n25 2qbp 3uri 3ag9 3prs 3pww 1u1b 4crc 1eby 3utu 4x6p 3tsk 3bv9 \n26 3ag9 3ag9 3uri 1nvq 1u1b 4crc 1eby 3pww 3utu 4x6p 3prs 3bv9 \n27 4tmn 3uri 3ag9 3pww 1u1b 1eby 3prs 2vkm 3utu 4gid 3bv9 3o9i \n28 3coy 3ag9 3uri 1eby 3prs 1u1b 1g2k 3pww 3bv9 3gnw 3utu 4gid \n29 2fvd 4ogj 1nvq 2v7a 3uri 3ag9 1eby 1u1b 3prs 3pww 3qgy 1g2k \n30 4ivc 1nvq 3ag9 3uri 4ogj 3prs 1eby 3o9i 1u1b 4gid 3pww 4ivd \n31 4jia 1nvq 3ag9 3uri 4ogj 2wtv 2v7a 3pww 1eby 2br1 1u1b 3prs \n32 1nvq 1nvq 3ag9 3uri 1u1b 1eby 2v7a 4gid 3pww 1lpg 3utu 4ivd \n33 2zcq 3ag9 3uri 3pww 1u1b 1eby 3prs 2vkm 3utu 3bv9 4gid 1g2k \n34 3utu 3utu 3ag9 3uri 1u1b 1lpg 1eby 1k1i 3pww 4gid 2qnq 3bv9 \n35 2p4y 3uri 3ag9 3pww 1u1b 1eby 3prs 4gid 3bv9 3o9i 3utu 3gnw \n36 3myg 3uri 3ag9 2v7a 1nvq 4ogj 1u1b 1eby 3pww 3myg 3prs 2br1 \n37 1sqa 3ag9 3uri 1eby 3utu 1u1b 1lpg 3pww 3o9i 3gnw 4x6p 3bv9 \n38 3dd0 3uri 1eby 3ag9 3utu 3pww 1u1b 2qnq 3prs 1g2k 3o9i 3zso \n39 2yki 3uri 3ag9 3prs 1u1b 3pww 3utu 1eby 3o9i 3bv9 4gr0 3gnw \n40 3g0w 3uri 3bv9 1u1b 3gnw 1eby 3utu 3ag9 3prs 1nvq 3zso 3o9i \n41 2al5 1u1b 3uri 3utu 3prs 3pww 3ag9 3zso 4ogj 3zsx 3o9i 3bv9 \n42 4de1 3uri 3prs 3ag9 3pww 4gid 3bv9 1eby 3utu 1u1b 4gr0 3gnw \n43 3fv1 3ag9 3uri 1u1b 3bv9 4gid 3gnw 1eby 3utu 3o9i 3pww 3zso \n44 2p15 3uri 1u1b 3ag9 3gnw 4gid 3bv9 3o9i 1eby 3utu 3prs 1g2k \n45 1mq6 3ag9 3uri 3pww 1eby 3utu 1u1b 3prs 1k1i 3o9i 2vkm 4gid \n46 4f3c 3uri 1u1b 3ag9 1eby 3prs 3bv9 3utu 4gid 2vkm 3pww 3gnw \n47 1o3f 3uri 1u1b 3utu 4crc 3o9i 4x6p 3ag9 3prs 1lpg 1eby 1o3f \n48 2vw5 3uri 3ag9 3pww 3prs 1eby 3utu 4gid 1g2k 3bv9 1u1b 3o9i \n49 3kr8 3ag9 3uri 1u1b 3o9i 1eby 2v7a 1g2k 3utu 3bv9 3prs 3pww \n50 2x00 3uri 3ag9 1u1b 1eby 3pww 3prs 3utu 3bv9 4gid 2vkm 3gnw \n51 3nw9 1u1b 3uri 3ag9 3nw9 3pww 3prs 3bv9 3utu 1eby 3gnw 4gid \n52 3zso 3uri 3ag9 1eby 1u1b 3pww 3bv9 3prs 3utu 1g2k 3gnw 4gr0 \n53 2xb8 3uri 3ag9 1eby 1u1b 3utu 3bv9 1g2k 3pww 2vkm 3gnw 3o9i \n54 4w9h 3ag9 3uri 1u1b 3utu 3bv9 3pww 3prs 4gr0 4gid 4w9l 1lpg \n55 3uex 3ag9 3uri 3pww 1eby 3prs 3utu 1u1b 4gr0 4gid 3bv9 1g2k \n56 4gr0 3uri 3ag9 3pww 3prs 3utu 1u1b 4gid 1eby 1g2k 2vkm 3o9i \n57 1u1b 3ag9 3uri 1u1b 3prs 1eby 3pww 3utu 3bv9 1g2k 4gr0 4gid \n\n 12 13 14 15 16 17 18 19 20 21 22 23 \\\n1 4w9l 4ogj 3zso 1lpg 1g2k 4gr0 2qnq 2v7a 4x6p 3o9i 3gnw 2yge \n2 1g2k 3o9i 2qnq 4w9l 3gnw 3zso 4x6p 1lpg 4tmn 3tsk 3nw9 2p4y \n3 2vkm 3bv9 2brb 1g2k 4rfm 3qgy 3o9i 2br1 3zso 3myg 4w9l 4gr0 \n4 1g2k 3o9i 3gnw 2vkm 2qnq 4gid 4cra 1k1i 3zso 3nw9 4gr0 4ty7 \n5 2vkm 4ogj 4w9l 3o9i 3zso 1z6e 1k1i 2qnq 2p4y 1nvq 4gr0 4x6p \n6 2vkm 4gid 3gnw 2qnq 4gr0 3zso 1lpg 4w9l 2yge 2p4y 1z6e 4ogj \n7 4ogj 3utu 1g2k 3qgy 3gnw 3o9i 4gr0 3e93 3zso 2wtv 2qnq 4rfm \n8 3zso 1nvq 2vkm 4gid 4w9l 2yge 4x6p 2qnq 4gr0 3arq 3b1m 1lpg \n9 3bv9 1g2k 4gr0 4x6p 1z6e 1lpg 3zso 4w9l 2qbp 4crc 4cra 3tsk \n10 1g2k 2vkm 4gid 2yge 3zso 3tsk 4crc 2p4y 4w9l 1nvq 3p5o 1lpg \n11 3o9i 4gid 4e5w 2vkm 1g2k 1lpg 3nw9 4crc 4ty7 2yge 2qnq 4gr0 \n12 4gid 3zso 2qnq 4gr0 4x6p 2vkm 1nvq 2p4y 4w9l 2qbp 1lpg 1z6e \n13 3utu 4gr0 3prs 2vkm 3nw9 3zso 1g2k 3arq 1k1i 4gid 1nvq 2x00 \n14 1g2k 4gr0 3o9i 4w9l 3zso 2qnq 3nw9 4x6p 1lpg 2p4y 2xbv 4crc \n15 3o9i 3gnw 2qnq 4gr0 4crc 3zso 4x6p 4w9l 1lpg 2yge 3b1m 3tsk \n16 4gid 2qnq 4w9l 3o9i 3zso 4gr0 2yge 1nvq 3arq 3nw9 4cig 2p4y \n17 3nw9 4gr0 2qbp 4tmn 2yge 4w9l 3zso 1h23 2vw5 3coy 1nvq 1g2k \n18 3gnw 4gr0 3o9i 3zso 2qnq 2vkm 1g2k 3b1m 1k1i 2yge 1nvq 4ty7 \n19 1g2k 3gnw 3zso 3o9i 2qnq 1lpg 4w9l 3nw9 2p4y 4x6p 1z6e 3b1m \n20 3gnw 3bv9 3arq 3o9i 2qnq 3zso 2yge 4ogj 4gid 4eky 2vkm 2xii \n21 3bv9 3zso 2vkm 3ge7 1g2k 3gnw 2yge 4w9l 2qnq 4ivd 1lpg 4crc \n22 3o9i 4gr0 3tsk 1nvq 1z6e 3zso 3gnw 4crc 4w9l 4x6p 3e93 1lpg \n23 2vkm 3zso 3o9i 1lpg 4w9l 2qnq 4gr0 4cig 3nw9 3b1m 1nvq 3arq \n24 4gid 1g2k 2qnq 4x6p 3zso 4gr0 4w9l 1lpg 2p4y 1z6e 4cig 4crc \n25 4gr0 2vkm 4gid 1g2k 1nvq 2qbp 3zso 3o9i 3nw9 1lpg 3gnw 1z6e \n26 4gid 2vkm 4ogj 3o9i 1g2k 4gr0 4e5w 3zso 3gnw 3nw9 4ivc 4ivb \n27 1g2k 4w9l 3zso 2qnq 4rfm 4x6p 4tmn 4gr0 3nw9 3gnw 4cra 1lpg \n28 3zso 3o9i 2vkm 2qnq 4x6p 4gr0 2yge 4w9l 4crc 1lpg 3arq 4cig \n29 3utu 3uo4 3bv9 3e5a 1lpg 4eor 4ivd 4crc 3o9i 4gid 4ivc 4w9l \n30 2v7a 4ivb 2br1 4ivc 4x6p 3utu 3bv9 4e5w 1lpg 1g2k 2vkm 4e6q \n31 3qgy 3bv9 1g2k 3utu 4gid 4eor 3o9i 2vkm 4w9l 3uo4 4gr0 1lpg \n32 4e5w 3prs 3bv9 1g2k 3qgy 2vkm 3up2 2wtv 4eor 4x6p 3nw9 4ivc \n33 3o9i 4gr0 2qnq 3gnw 4w9l 3zso 1lpg 3tsk 4crc 2p4y 4cra 4x6p \n34 3prs 2vkm 3gnw 3o9i 1g2k 3nw9 2br1 3zso 2yge 4w9l 4cra 2zda \n35 2vkm 1g2k 3zso 1lpg 2qnq 4gr0 4w9l 4x6p 1z6e 2yge 2p4y 3b1m \n36 3utu 4eor 1g2k 4gid 3bv9 2xnb 2yge 4rfm 2wtv 4ivd 2qnq 2brb \n37 4w9l 1k1i 2p4y 3prs 4gid 1z6e 1g2k 2qnq 2vkm 3zso 3qgy 4gr0 \n38 2yge 4gid 3bv9 2vkm 4crc 1lpg 4x6p 1k1i 4tmn 3gnw 2qbp 3nw9 \n39 2vkm 4gid 1g2k 1lpg 2qnq 4w9l 3nw9 4x6p 4crc 3zso 1k1i 3tsk \n40 3pww 4gid 1g2k 4gr0 2vkm 2qnq 4cig 4w9l 4tmn 3arq 2yge 1k1i \n41 2yge 1nvq 1eby 3nw9 1g2k 3gnw 2vw5 2qnq 4tmn 1k1i 3ge7 3oe4 \n42 1g2k 2vkm 1lpg 4w9l 3zso 3o9i 2qnq 4cig 2p4y 3b1m 2x00 2v7a \n43 2vkm 3prs 3nw9 1g2k 1nvq 2qnq 4w9l 2yge 5tmn 4gr0 2qbp 4w9h \n44 2vkm 3pww 2qnq 3zso 1nvq 1k1i 3arq 4w9l 4tmn 4cig 3nw9 1lpg \n45 3bv9 1z6e 2xbv 1g2k 2qnq 3gnw 4w9l 4gr0 1lpg 3zso 2br1 4cra \n46 3o9i 3nw9 1g2k 3zso 1z6e 4x6p 1k1i 4w9h 4gr0 2yge 2qnq 3tsk \n47 1z6e 1k1i 3gnw 3pww 3bv9 1sqa 1g2k 3coz 3nw9 2qbp 1nvq 4gid \n48 2vkm 3gnw 2qnq 2yge 4w9l 4gr0 4x6p 3zso 1k1i 1nvq 4ogj 4crc \n49 4gr0 4ogj 2qnq 4w9l 4gid 1nvq 3qgy 2vkm 1lpg 3gnw 2xnb 3zso \n50 3o9i 1g2k 4gr0 3zso 4w9l 1lpg 2p4y 2qnq 4x6p 3e93 2xbv 1nvq \n51 2vkm 1g2k 2qnq 3zso 3o9i 4gr0 4x6p 3e93 1lpg 4w9l 3tsk 3oe4 \n52 4gid 3zso 3o9i 2vkm 2qnq 4w9l 3tsk 1lpg 4x6p 4crc 3nw9 2p4y \n53 3prs 4x6p 4w9l 1lpg 2yge 4gid 3zso 4gr0 2qnq 3arq 2qbp 2p4y \n54 2vkm 1eby 3o9i 3zso 4crc 1g2k 3nw9 3gnw 3tsk 2p4y 2qbp 2qnq \n55 3o9i 3gnw 3zso 2vkm 2qnq 3tsk 4w9l 1lpg 4x6p 3nw9 3b1m 1nvq \n56 4gr0 4w9l 3gnw 3bv9 2qnq 4x6p 3tsk 1lpg 4crc 3nw9 2v7a 4ogj \n57 2vkm 3gnw 3o9i 1nvq 1lpg 4x6p 3zso 3nw9 4crc 2qnq 1z6e 4ogj \n\n 24 25 26 27 28 29 \n1 3tsk 4crc 3nw9 2p4y 3e93 4qd6 \n2 4crc 1nvq 1z6e 4cra 2qbp 4ogj \n3 4ogj 4qd6 4eor 3b1m 2qnq 4ivc \n4 1z6e 1nvq 4w9l 3coz 3tsk 2p4y \n5 2yge 3b1m 3arq 4crc 1lpg 3nw9 \n6 4crc 4x6p 4tmn 4cra 3arq 3tsk \n7 4x6p 4cra 2xnb 3tsk 1nvq 2p4y \n8 4cra 4crc 3nw9 2x00 3tsk 2p4y \n9 3gnw 1k1i 3nw9 1nvq 2p4y 1h23 \n10 4ogj 4gr0 4tmn 4x6p 1z6e 2vw5 \n11 4x6p 2p4y 3coy 1k1i 4cig 4w9l \n12 2yge 4cig 1k1i 2wtv 2x00 3arq \n13 2p4y 3o9i 4ty7 1z6e 3tsk 4cig \n14 3tsk 4rfm 3e93 2qbp 2yge 1nvq \n15 2p4y 3arq 1nvq 4rfm 4cra 1z6e \n16 3tsk 5tmn 1lpg 1z6e 1k1i 4ogj \n17 2qnq 3gnw 1ydt 1k1i 4ogj 3tsk \n18 4cra 4tmn 3tsk 2x00 3nw9 2p4y \n19 3tsk 1nvq 4ogj 4crc 4cra 3e93 \n20 4ivb 1lpg 4ivd 4gr0 4eor 1k1i \n21 3arq 4gr0 1nvq 4ivc 3nw9 2p4y \n22 3nw9 2qnq 4ogj 2p4y 4cra 3b1m \n23 2p4y 2yge 2x00 4x6p 3tsk 4crc \n24 3b1m 3nw9 2yge 3arq 1nvq 4rfm \n25 2qnq 2p4y 4w9l 4tmn 2xbv 3e93 \n26 2qnq 1yc1 4eor 4ivd 2qbp 4e6q \n27 3tsk 4crc 2p4y 4w9i 2xbv 1mq6 \n28 2p4y 1k1i 1nvq 3nw9 4ogj 3tsk \n29 2brb 3myg 2vkm 4e5w 4ivb 3gnw \n30 3gnw 3zso 4w9l 4eor 3nw9 2qnq \n31 3zso 3gnw 4ivd 3up2 2qnq 4e5w \n32 2qbp 3zso 3o9i 4ivb 4ogj 2br1 \n33 1nvq 1z6e 4cig 1k1i 3b1m 3arq \n34 1oyt 1z6e 4gr0 4crc 1nvq 4e5w \n35 4crc 3nw9 4ogj 3tsk 4cra 4rfm \n36 2vkm 2p4y 3zso 3gnw 4e5w 4x6p \n37 3e5a 3p5o 4crc 1sqa 4cig 3arq \n38 1nvq 4w9l 4gr0 3coz 3ivg 3e5a \n39 2yge 4cra 2yki 2p4y 3b1m 2xbv \n40 3tsk 2qbp 2wtv 1lpg 4x6p 3b1m \n41 1lpg 2wtv 1o0h 4gid 2vkm 2qbp \n42 3arq 1z6e 2yge 3tsk 3nw9 1nvq \n43 4tmn 4w9i 1k1i 2qbr 3e5a 4ogj \n44 4gr0 2yge 5tmn 3b1m 4x6p 3zsx \n45 3nw9 3arq 4crc 1mq6 3tsk 4x6p \n46 3b1m 3arq 4cra 4w9l 1nvq 4cig \n47 4cra 4ty7 3ivg 2xbv 3zso 3arq \n48 3arq 2br1 1lpg 4eor 2p4y 3nw9 \n49 1z6e 4rfm 4eor 2yge 2p4y 4x6p \n50 3nw9 3tsk 4cra 4crc 4ty7 2qbp \n51 4cra 2xbv 1z6e 4crc 4tmn 1k1i \n52 4cig 2yge 1z6e 4cra 3b1m 2qbp \n53 4ogj 1nvq 4cra 4crc 3nw9 4cig \n54 2v7a 3e93 4x6p 2xbv 4ogj 3ozs \n55 2x00 2yge 2p4y 4crc 4ogj 4tmn \n56 1z6e 4cra 2qbp 3zso 2yge 3e93 \n57 3e93 4rfm 4tmn 4w9l 2p4y 3tsk \n\nSummary of the forward screening power: =========================================================\nAverage enrichment factor among top 1% = 2.90\nAverage enrichment factor among top 5% = 2.12\nAverage enrichment factor among top 10% = 2.02\nThe best ligand is found among top 1% candidates for 7 cluster(s); success rate = 12.3%\nThe best ligand is found among top 5% candidates for 13 cluster(s); success rate = 22.8%\nThe best ligand is found among top 10% candidates for 25 cluster(s); success rate = 43.9%\n================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Forward_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Forward_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_10A/ReverseScreeningPower_DeepDock_10A.out", "content": " code 1 2 3 4 5 6\n1 4llx 3nw9 2p4y 3o9i 4agq 5c2h 4gr0\n2 5c28 3o9i 3nw9 3e93 4gid 4agq 3kr8\n3 3uuo 2fvd 4jia 3myg 3o9i 3ebp 4agq\n4 3ui7 4jia 2fvd 3o9i 3myg 4gid 1nvq\n5 5c2h 4ivc 3ge7 4gid 3kr8 3o9i 4twp\n6 2v00 3e93 4agq 2p4y 3o9i 4ivc 3nw9\n7 3wz8 2p4y 4gid 3o9i 3e93 4jia 2fvd\n8 3pww 3o9i 4gid 4jia 2p4y 5c2h 3e93\n9 3prs 3o9i 4gid 2p4y 3e93 4jia 5c2h\n10 3uri 4gid 2p4y 3o9i 3qqs 3e93 3arp\n11 4m0z 4ivc 1sqa 3ge7 3myg 3nw9 4jia\n12 4m0y 3kr8 4ivc 4jia 3ge7 3nw9 4agq\n13 3qgy 4jia 2fvd 1nvq 3kr8 4ivc 4twp\n14 4qd6 4gid 2p4y 4jia 4rfm 5c2h 3qqs\n15 4rfm 4jia 4gid 3myg 3o9i 2p4y 4rfm\n16 4cr9 4ivc 3o9i 4jia 3myg 3kr8 3utu\n17 4cra 3o9i 4gid 3e93 2p4y 2yki 3nw9\n18 4x6p 3o9i 4gid 3ge7 4ivc 2p4y 3ag9\n19 4crc 3ag9 3o9i 2fvd 4gid 3e93 2p4y\n20 4ty7 4gid 3o9i 4jia 2p4y 3ge7 2x00\n21 5aba 2p4y 4gid 3qqs 3o9i 3e93 4agq\n22 5a7b 4gid 3e93 3o9i 5c2h 2p4y 4jia\n23 4agn 3o9i 3kr8 3e93 2p4y 4gid 4jia\n24 4agp 4gid 3e93 3o9i 2p4y 5c2h 2fvd\n25 4agq 4gid 3o9i 3e93 2p4y 5c2h 3kr8\n26 3bgz 4ivc 2yki 3ge7 4jia 3o9i 2fvd\n27 3jya 3o9i 3ge7 4gid 2fvd 2p4y 3e93\n28 2c3i 3kr8 4jia 1nvq 4twp 2fvd 4rfm\n29 4k18 2fvd 4ivc 3kr8 1nvq 4agq 4jia\n30 5dwr 4jia 3o9i 2fvd 4gid 2p4y 3qqs\n31 3mss 4gid 4agq 2p4y 2fvd 4ivc 3e93\n32 3k5v 4gid 3o9i 2p4y 2fvd 3qqs 4jia\n33 3pyy 4gid 3nw9 3e93 2fvd 4ivc 3ebp\n34 2v7a 2fvd 4jia 3myg 4twp 1nvq 3kr8\n35 4twp 4twp 1nvq 2p4y 4jia 3myg 4gid\n36 3wtj 3nw9 4agq 4gid 3o9i 4ivc 4jia\n37 3zdg 4agq 3e93 4gid 3nw9 3o9i 2p4y\n38 3u8k 4agq 3e93 3nw9 3o9i 4gid 4ivc\n39 4qac 2p4y 4agq 4gid 3nw9 3e93 3o9i\n40 3u8n 4agq 3e93 4gid 4jia 3nw9 3o9i\n41 1a30 4gid 3qqs 3o9i 2p4y 2yki 4jia\n42 2qnq 3o9i 4gid 2p4y 4jia 3e93 2yki\n43 1g2k 4gid 3o9i 4jia 2p4y 3e93 3qqs\n44 1eby 3o9i 4gid 4jia 2p4y 3e93 2fvd\n45 3o9i 3o9i 2p4y 4ivc 4gid 4jia 3e93\n46 4lzs 4jia 3myg 2fvd 1nvq 3ge7 4ivc\n47 3u5j 3nw9 3utu 3myg 4rfm 4gid 4agq\n48 4wiv 4jia 3o9i 4gid 2fvd 3ge7 4twp\n49 4ogj 2fvd 4jia 4ivc 3myg 3ge7 4gid\n50 3p5o 3ge7 1sqa 3p5o 3o9i 4gid 4rfm\n51 1ps3 3kr8 1nvq 4ivc 3ag9 3ejr 3nw9\n52 3dx1 3o9i 3e93 2fvd 2p4y 3ge7 3ag9\n53 3d4z 3kr8 2fvd 3ejr 4jia 3o9i 3ag9\n54 3dx2 3e93 3kr8 4gid 2p4y 3ag9 3o9i\n55 3ejr 3ge7 4ivc 1nvq 3kr8 4gid 4jia\n56 3l7b 3nw9 4jia 2fvd 3ag9 4ivc 4gid\n57 4eky 3nw9 3kr8 3ge7 4pcs 3myg 3dd0\n58 3g2n 4jia 3ag9 3ge7 3utu 3nw9 2yki\n59 3syr 3ejr 4jia 3nw9 3utu 2yki 3ge7\n60 3ebp 4ivc 4jia 2fvd 3kr8 3myg 4gid\n61 2w66 3e93 2p4y 4gid 3o9i 4jia 4agq\n62 2w4x 4gid 4agq 3e93 3qqs 3o9i 2p4y\n63 2wca 2fvd 4agq 4gid 4jia 3qqs 3ge7\n64 2xj7 3o9i 3nw9 3e93 3ge7 4pcs 4gid\n65 2vvn 3ge7 3nw9 3e93 3o9i 4agq 2p4y\n66 3aru 4gid 4agq 3ge7 3nw9 3kr8 3o9i\n67 3arv 4agq 3qqs 3e93 2r9w 3ge7 3o9i\n68 3ary 3nw9 4agq 2fvd 3ge7 3ebp 3u8n\n69 3arq 3ge7 2p4y 4jia 3qqs 3o9i 4gid\n70 3arp 3o9i 4gid 3e93 5c2h 2p4y 3qqs\n71 4ih5 4ivc 3ge7 3nw9 4agq 3utu 3kr8\n72 4ih7 4gid 2fvd 3u8n 3e93 1nvq 4agq\n73 3cj4 3o9i 3e93 3ge7 4jia 4gid 3qqs\n74 4eo8 4gid 3e93 2p4y 3qqs 3o9i 4jia\n75 3gnw 2p4y 4gid 3qqs 2x00 2yki 4jia\n76 1gpk 3e93 3o9i 2p4y 4gid 4jia 3nw9\n77 1gpn 3o9i 3e93 2p4y 4jia 2yki 3myg\n78 1h23 3o9i 5c2h 2p4y 3e93 4gid 4jia\n79 1h22 4gid 3e93 3o9i 2p4y 3qqs 2yki\n80 1e66 2yki 4agq 3kr8 4jia 3myg 1sqa\n81 3f3a 3e93 4agq 3qqs 4gid 3u8n 2p4y\n82 3f3c 4gid 2p4y 3e93 4agq 3o9i 2fvd\n83 4mme 3e93 4gid 4agq 3qqs 2p4y 3o9i\n84 3f3d 4gid 3o9i 4agq 3qqs 2p4y 3e93\n85 3f3e 4gid 3e93 3nw9 3qqs 3o9i 2p4y\n86 2wbg 3ge7 3utu 3myg 3ejr 2fvd 4jia\n87 2cbv 2p4y 3e93 3o9i 2yki 4gid 3ag9\n88 2j78 3kr8 3ejr 3ge7 4agq 3myg 4ivc\n89 2j7h 3kr8 3ejr 3nw9 4gid 3ag9 4agq\n90 2cet 4jia 2yki 3ejr 2fvd 4ivc 3nw9\n91 3udh 4jia 3e93 2p4y 4gid 4twp 3ge7\n92 3rsx 4agq 3o9i 3ge7 3nw9 4ivc 2fvd\n93 4djv 3ge7 4ivc 4agq 4gid 4jia 3nw9\n94 2vkm 4gid 3o9i 3e93 2p4y 5c2h 4jia\n95 4gid 4gid 3o9i 2p4y 4ivc 4jia 3e93\n96 4jfs 4agq 3e93 3o9i 4gid 3qqs 4ivc\n97 4j28 4gid 3e93 3nw9 4agq 3qqs 2p4y\n98 2wvt 4gid 2p4y 3e93 3o9i 3coy 3kr8\n99 2xii 4jia 4twp 3kr8 4agq 2yki 3o9i\n100 4pcs 4agq 4gid 3ebp 3qqs 4ivc 3ge7\n101 3rr4 4jia 3ge7 3kr8 1nvq 4agq 4ivc\n102 1s38 3nw9 4ivc 4jia 4agq 2fvd 3ag9\n103 1r5y 3ge7 3ag9 4ivc 4jia 3kr8 1nvq\n104 3gc5 3ge7 1nvq 4ivc 3kr8 2fvd 3myg\n105 3ge7 3ge7 4ivc 4jia 1nvq 3myg 2yki\n106 4dli 4agq 3o9i 3nw9 4ivc 2fvd 4gid\n107 2zb1 3o9i 3nw9 4gid 2p4y 4twp 4agq\n108 4f9w 2fvd 4agq 3o9i 3e93 4jia 4gid\n109 3e92 3o9i 4gid 3ge7 4ivc 2p4y 4agq\n110 3e93 3e93 4gid 3o9i 3nw9 2x00 4twp\n111 4owm 3kr8 3ag9 3ejr 3nw9 4gid 4agq\n112 3twp 4gid 4agq 2p4y 3nw9 3e93 3kr8\n113 3r88 3e93 3o9i 3qqs 2p4y 4gid 4ivc\n114 4gkm 3e93 3qqs 3o9i 2p4y 4agq 4jia\n115 3qqs 3e93 3nw9 3qqs 4agq 2p4y 3ejr\n116 3gv9 3nw9 3o9i 4gid 4ivc 3zso 3e93\n117 3gr2 3e93 3o9i 3qqs 2p4y 4twp 4agq\n118 4kz6 4gid 3e93 3nw9 2p4y 3o9i 2yki\n119 4jxs 4ivc 3e93 4agq 3o9i 2p4y 4gid\n120 2r9w 3qqs 2p4y 3e93 4gid 2fvd 3o9i\n121 2hb1 4gid 3o9i 3utu 4jia 2p4y 3e93\n122 1bzc 3o9i 3e93 4gid 2p4y 4ivc 4agq\n123 2qbr 3o9i 4gid 2fvd 1nvq 4jia 3ge7\n124 2qbq 3o9i 4ivc 4jia 3ge7 3e93 4gid\n125 2qbp 3o9i 1nvq 4jia 4gid 3e93 2p4y\n126 1q8t 4jia 3ge7 3nw9 4ivc 2fvd 1nvq\n127 1ydr 4ivc 1nvq 3ge7 3myg 3ag9 3kr8\n128 1q8u 4jia 2fvd 1nvq 3nw9 3ag9 3myg\n129 1ydt 4jia 4ivc 1nvq 2fvd 3myg 3o9i\n130 3ag9 3o9i 2p4y 4gid 3ag9 3qqs 3e93\n131 3fcq 2p4y 3o9i 4agq 3e93 4gid 3qqs\n132 1z9g 3e93 4agq 4gid 3qqs 2p4y 3o9i\n133 1qf1 4gid 2p4y 3e93 3qqs 4agq 3o9i\n134 5tmn 3o9i 4gid 5c2h 2p4y 3qqs 4jia\n135 4tmn 3o9i 2p4y 3e93 4gid 4jia 3nw9\n136 4ddk 3o9i 4gid 3e93 4agq 3qqs 2p4y\n137 4ddh 4agq 4gid 3o9i 3e93 2p4y 3u8n\n138 3ivg 3o9i 4jia 4ivc 3myg 3utu 3ge7\n139 3coz 4jia 3ge7 4ivc 3o9i 4gid 3nw9\n140 3coy 4jia 3myg 4ivc 3o9i 3nw9 4twp\n141 3pxf 3e93 3o9i 3qqs 4agq 2yki 3nw9\n142 4eor 4jia 2fvd 3myg 1nvq 4ivc 3kr8\n143 2xnb 3myg 2fvd 4jia 3kr8 4twp 4ivc\n144 1pxn 4jia 3myg 2fvd 1nvq 4twp 3ag9\n145 2fvd 2p4y 2fvd 1nvq 4gid 3o9i 4twp\n146 4k77 4jia 2fvd 4ivc 3nw9 1nvq 3ge7\n147 4e5w 1nvq 4ivc 4jia 2fvd 3myg 3ag9\n148 4ivb 4ivc 2fvd 1nvq 4jia 3myg 3ag9\n149 4ivd 4ivc 1nvq 4jia 2fvd 3myg 3ge7\n150 4ivc 4ivc 2fvd 4jia 1nvq 3myg 3ge7\n151 4f09 2fvd 4ivc 4jia 3myg 1nvq 3ag9\n152 4gfm 3nw9 2fvd 4ivc 4jia 3ejr 3dd0\n153 4hge 4jia 4rfm 3myg 1nvq 4ivc 3ag9\n154 4e6q 4jia 4ivc 1nvq 3ge7 2fvd 3myg\n155 4jia 2fvd 3kr8 4gid 4jia 4ivc 2p4y\n156 2brb 2fvd 3myg 4rfm 1nvq 4jia 3ag9\n157 2br1 4jia 4ivc 3myg 1nvq 4rfm 2fvd\n158 3jvr 4gid 2p4y 3e93 3qqs 3ge7 3o9i\n159 3jvs 3o9i 2p4y 4gid 3e93 3qqs 3nw9\n160 1nvq 4jia 1nvq 2fvd 4ivc 3myg 4rfm\n161 3acw 4agq 2p4y 4gid 4jia 2fvd 3e93\n162 4ea2 4gid 2p4y 3o9i 3e93 4jia 3ge7\n163 2zcr 4gid 3o9i 2p4y 3e93 2yki 4jia\n164 2zy1 3nw9 4agq 3o9i 2p4y 4gid 4jia\n165 2zcq 4gid 4agq 2p4y 3e93 3o9i 3qqs\n166 1bcu 4agq 3e93 3qqs 4gid 3ge7 3o9i\n167 3bv9 4gid 3o9i 2p4y 4jia 3e93 3qqs\n168 1oyt 3ge7 4gid 4jia 4ivc 3utu 3o9i\n169 2zda 3utu 4twp 4gid 3ge7 3o9i 3nw9\n170 3utu 3e93 3o9i 3utu 4gid 2p4y 3qqs\n171 3u9q 4agq 3e93 3u8n 4gid 3qqs 3nw9\n172 2yfe 3qqs 4gid 3e93 4jia 2p4y 3o9i\n173 3fur 4gid 3ge7 3o9i 2p4y 3e93 4ivc\n174 3b1m 4gid 2p4y 3e93 3o9i 3qqs 4agq\n175 2p4y 4gid 4jia 2p4y 3o9i 3e93 3myg\n176 3uo4 4jia 2fvd 1nvq 4gid 3myg 4twp\n177 3up2 4jia 1nvq 4ivc 2fvd 3ag9 3myg\n178 3e5a 2fvd 4jia 4gid 4ivc 3o9i 2p4y\n179 2wtv 4jia 1nvq 3myg 4gid 2p4y 3o9i\n180 3myg 3myg 2fvd 4jia 4rfm 4gid 3kr8\n181 3kgp 4gid 4agq 3nw9 3e93 5c2h 3o9i\n182 1c5z 3nw9 3utu 4jia 1o3f 4ivc 1sqa\n183 1o5b 4ivc 1sqa 3myg 1o3f 4jia 1nvq\n184 1owh 4jia 3o9i 4gid 1sqa 1o3f 2yki\n185 1sqa 3o9i 4gid 4jia 1sqa 3ge7 4ivc\n186 4jsz 3o9i 4agq 3nw9 3ejr 1sqa 4gid\n187 3kwa 3e93 2p4y 4agq 4gid 3qqs 3o9i\n188 2weg 3kr8 3nw9 3o9i 1nvq 4agq 3ge7\n189 3ryj 3nw9 4jia 3ge7 4agq 4ivc 4twp\n190 3dd0 4ivc 3nw9 3dd0 2fvd 3ge7 4agq\n191 2xdl 3o9i 3e93 4gid 4twp 3qqs 2fvd\n192 3b27 4ivc 2fvd 3ge7 3kr8 3o9i 2yki\n193 1yc1 4ivc 4jia 2fvd 3ag9 4rfm 3myg\n194 3rlr 1nvq 2yki 3ge7 4ivc 3e93 4gid\n195 2yki 3e93 2yki 4gid 3o9i 4jia 1nvq\n196 1z95 3o9i 2p4y 3qqs 3e93 4gid 2fvd\n197 3b68 3o9i 4gid 3e93 2p4y 3qqs 3nw9\n198 3b5r 3o9i 2p4y 3qqs 4agq 3e93 4gid\n199 3b65 3e93 4gid 3nw9 3qqs 2p4y 3o9i\n200 3g0w 3nw9 4jia 4agq 4ivc 3o9i 4gid\n201 4u4s 3o9i 4gid 2p4y 3e93 4agq 4jia\n202 1p1q 3e93 3nw9 4gid 3ejr 2p4y 4tmn\n203 1syi 4gid 3e93 2p4y 3qqs 3o9i 4ivc\n204 1p1n 2p4y 2yki 3e93 3ge7 4agq 3qqs\n205 2al5 4gid 4agq 2p4y 3e93 3nw9 2yki\n206 3g2z 4gid 4agq 3e93 3o9i 3nw9 2p4y\n207 3g31 3o9i 3e93 4jia 2yki 2p4y 3qqs\n208 4de2 3nw9 3ge7 4jia 4gid 3o9i 3utu\n209 4de3 3ge7 4ivc 3nw9 4agq 4jia 2p4y\n210 4de1 4jia 3nw9 1nvq 4twp 4agq 4ivc\n211 1vso 2p4y 3e93 3qqs 4gid 4agq 3o9i\n212 4dld 4ivc 3e93 4jia 4gid 2fvd 4agq\n213 3gbb 2p4y 3e93 4gid 3o9i 3nw9 3qqs\n214 3fv2 3o9i 3e93 4agq 2p4y 4gid 3nw9\n215 3fv1 3e93 2p4y 3o9i 3nw9 1e66 4gid\n216 4mgd 4agq 4gid 2fvd 4jia 3e93 3o9i\n217 2qe4 4jia 2fvd 3ge7 3nw9 1nvq 4gid\n218 1qkt 4jia 2fvd 4agq 3ge7 4ivc 3e93\n219 2pog 4jia 2fvd 3nw9 4ivc 1nvq 3ge7\n220 2p15 3o9i 3nw9 4jia 2p4y 4gid 4twp\n221 2y5h 2p4y 4gid 3o9i 5c2h 4jia 3nw9\n222 1lpg 4gid 3o9i 2p4y 1nvq 3utu 4jia\n223 2xbv 4jia 4gid 3o9i 4ivc 2p4y 3e93\n224 1z6e 3o9i 4gid 3e93 4jia 2p4y 4agq\n225 1mq6 4jia 3o9i 2fvd 2p4y 4gid 3e93\n226 1nc3 3nw9 4agq 3qqs 3e93 3o9i 3ge7\n227 1nc1 4ivc 4jia 2fvd 3nw9 3ag9 3myg\n228 1y6r 2fvd 4ivc 4jia 3nw9 3myg 3ag9\n229 4f2w 4ivc 4jia 1nvq 3ge7 3ag9 3nw9\n230 4f3c 4ivc 4jia 2fvd 1nvq 3ge7 3nw9\n231 1uto 3nw9 4agq 3kr8 3e93 3utu 4jia\n232 4abg 1sqa 3nw9 3utu 4agq 3e93 4ivc\n233 3gy4 3nw9 3ag9 3utu 1sqa 4ivc 1o3f\n234 1k1i 3o9i 3utu 4jia 4agq 2fvd 3myg\n235 1o3f 1o3f 3ge7 3nw9 4ivc 4jia 1sqa\n236 2yge 3ge7 4jia 2p4y 3myg 4gid 3e93\n237 2fxs 4jia 2fvd 4ivc 1nvq 3ag9 5c2h\n238 2iwx 2yki 1nvq 3kr8 4ivc 4agq 4jia\n239 2wer 2yki 4rfm 3ag9 1sqa 3kr8 4ivc\n240 2vw5 4ivc 4jia 3o9i 2p4y 4gid 3e93\n241 4kzq 3kr8 4ivc 4jia 3myg 3ag9 2fvd\n242 4kzu 3kr8 3myg 1nvq 4jia 4twp 2fvd\n243 4j21 3kr8 3myg 3ag9 4ivc 4jia 3nw9\n244 4j3l 3kr8 4ivc 3ge7 3myg 4gid 4jia\n245 3kr8 3kr8 2fvd 1nvq 3myg 4jia 4ivc\n246 2ymd 3o9i 4agq 3utu 4jia 3myg 2fvd\n247 2wnc 3e93 4agq 3nw9 4jia 3kr8 3ge7\n248 2xys 3e93 4jia 4gid 2p4y 3qqs 3ge7\n249 2wn9 3qqs 3o9i 3nw9 4gid 3e93 3ge7\n250 2x00 3e93 3qqs 2p4y 3o9i 3myg 4jia\n251 3ozt 4gid 2p4y 3o9i 3e93 3nw9 3qqs\n252 3ozs 3o9i 4gid 3nw9 4ivc 2p4y 3kr8\n253 3oe5 4gid 4jia 3o9i 3kr8 3e93 3myg\n254 3oe4 3o9i 3nw9 4gid 3e93 3kr8 4jia\n255 3nw9 3nw9 4gid 4jia 3o9i 3e93 2p4y\n256 3ao4 3nw9 4agq 3ge7 3o9i 4gid 3u8n\n257 3zt2 3qqs 4ivc 3e93 4agq 3o9i 4twp\n258 3zsx 3o9i 2p4y 4gid 3ge7 3nw9 4jia\n259 4cig 3qqs 3o9i 4jia 3e93 4gid 3ge7\n260 3zso 4gid 2p4y 3o9i 3e93 4jia 3ge7\n261 3n7a 3kr8 3nw9 4agq 3ejr 2p4y 2yki\n262 4ciw 3nw9 3kr8 3utu 3ge7 3o9i 3e93\n263 3n86 2yki 3ge7 1nvq 3o9i 3nw9 4jia\n264 3n76 4agq 4ivc 3o9i 3nw9 3kr8 3ge7\n265 2xb8 3kr8 3nw9 2yki 4jia 3e93 1sqa\n266 4bkt 4agq 3ejr 3kr8 4jia 3ge7 4rfm\n267 4w9c 4jia 3o9i 2p4y 4ivc 4gid 1nvq\n268 4w9l 4gid 4jia 3o9i 2p4y 5c2h 3e93\n269 4w9i 3o9i 4gid 2p4y 3e93 3qqs 4ivc\n270 4w9h 4gid 4jia 2p4y 3o9i 1nvq 3myg\n271 3nq9 4agq 3e93 3o9i 4gid 2p4y 4twp\n272 3ueu 4agq 3o9i 3qqs 4gid 2p4y 4twp\n273 3uev 4agq 3e93 3ge7 4gid 2p4y 3o9i\n274 3uew 4agq 2p4y 3e93 3qqs 4gid 4ivc\n275 3uex 2p4y 3qqs 4gid 3o9i 4jia 3e93\n276 3lka 3nw9 3o9i 4jia 2fvd 3ag9 3dd0\n277 3ehy 4gid 3e93 4agq 3nw9 4jia 3qqs\n278 3tsk 3e93 4gid 3o9i 2p4y 5c2h 4jia\n279 3nx7 3e93 4agq 3o9i 4gid 3nw9 3ge7\n280 4gr0 4gid 3o9i 3e93 4jia 2p4y 2yki\n281 3dxg 3e93 4gid 2yki 2p4y 3nw9 3ge7\n282 3d6q 3kr8 3ge7 1nvq 2fvd 3e93 3myg\n283 1w4o 3o9i 3nw9 3kr8 2p4y 3ge7 3e93\n284 1o0h 4jia 4ivc 3kr8 3ge7 1sqa 2fvd\n285 1u1b 4gid 3o9i 3e93 2p4y 3nw9 4jia\n\nSummary of the reverse screening power: =========================================================\nThe best target is found among top 1% candidates for 24 ligand(s); success rate = 8.4%\nThe best target is found among top 5% candidates for 56 ligand(s); success rate = 19.6%\nThe best target is found among top 10% candidates for 81 ligand(s); success rate = 28.4%\n=================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Reverse_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Reverse_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_3A/ForwardScreeningPower_DeepDock_3A.out", "content": " Target 1 2 3 4 5 6 7 8 9 10 11 \\\n1 5c2h 5c2h 3ivg 3wz8 2p4y 3rlr 3jvs 1sqa 1u1b 1nvq 3qgy 4qd6 \n2 3uri 2vkm 4gid 1g2k 3pww 3uri 1eby 4tmn 3o9i 2p4y 4djv 3e93 \n3 4rfm 3myg 2brb 4hge 3qgy 4rfm 2v7a 2br1 4kzu 4ivc 4eor 4kzq \n4 4ty7 1o3f 3utu 4x6p 4crc 4cra 1sqa 3nw9 2zda 1z6e 3ivg 1lpg \n5 4agq 4k18 4jia 3arq 5c2h 4dli 3aru 2p4y 3b68 4hge 4gfm 3g2n \n6 5dwr 1nvq 5dwr 4qac 2r9w 2yge 1yc1 3cj4 3zt2 1z95 3arq 1o0h \n7 4twp 2v7a 4kzu 3qgy 1pxn 4twp 4ogj 3up2 2xnb 2c3i 3ge7 4kzq \n8 3u8n 4ddh 3jvr 3pyy 3b68 4dli 1bcu 3g2z 1nc3 3zt2 3cj4 3ao4 \n9 3o9i 3o9i 2qnq 3pww 4cra 3prs 1g2k 4crc 1eby 1u1b 3coz 2br1 \n10 3p5o 3p5o 3utu 3arq 4eky 2p4y 4m0z 4hge 3k5v 3ebp 1sqa 3qgy \n11 3ejr 2wbg 2cet 4f3c 3d4z 4e6q 2j78 1ydt 4e5w 1ps3 3syr 1y6r \n12 3ebp 4gfm 3dd0 1o3f 3uuo 4eor 4eky 4ih5 2cet 4dli 4k77 3syr \n13 2vvn 2xj7 2vvn 2wca 4mme 1w4o 3nw9 4j28 3cj4 3ao4 3b65 3nx7 \n14 3arp 1lpg 2xbv 1z6e 3utu 4eor 1mq6 3tsk 3ivg 3jvs 4x6p 3ozs \n15 3gnw 3utu 3ge7 3zso 1eby 4ivd 1o3f 2y5h 4f09 1z6e 1o0h 4eky \n16 1e66 3b68 3zso 3aru 3jvr 3pyy 3arq 5c2h 3arp 3wz8 2wn9 3cj4 \n17 3f3e 3twp 3qqs 4gkm 4owm 4ddk 3f3c 3f3a 1syi 3kgp 3gr2 3uex \n18 2cet 4e6q 2cet 3g2n 2wbg 3syr 1ydt 3d4z 1ps3 3l7b 1o3f 3n86 \n19 4gid 4gid 2vkm 3nw9 1eby 2zda 2p4y 3ivg 3utu 1g2k 3zso 3b1m \n20 4pcs 3g2n 4eky 2xii 3l7b 3d4z 2cet 4e6q 3syr 3kr8 4ivc 1r5y \n21 3ge7 3ge7 3gc5 4ivc 4e6q 1r5y 4ivd 4ivb 4e5w 2fxs 3rlr 4kzu \n22 3e93 3e93 3tsk 3jvs 3nw9 3zso 3b68 3ivg 3oe4 4x6p 4cra 2yki \n23 3qqs 3zt2 4ddh 3b68 3syr 3pxf 4ih5 3jvr 1yc1 2wn9 4dld 4gkm \n24 2r9w 4jxs 2r9w 3pyy 3g2n 4ih5 4pcs 3up2 3ejr 4j28 4ih7 4eky \n25 2qbp 4crc 4eky 2qbp 2qbr 3syr 2cet 4de2 2qbq 2hb1 3ge7 4de3 \n26 3ag9 1nvq 3ag9 2brb 4e5w 4crc 4ivc 4ivd 4ivb 4eor 3qgy 2fxs \n27 4tmn 4rfm 4jia 3nw9 4tmn 5c2h 1z6e 4crc 3kr8 4kzu 1sqa 1qf1 \n28 3coy 3nw9 2xbv 3ivg 3fur 1sqa 3ag9 3utu 3jvs 1u1b 3coy 1owh \n29 2fvd 2v7a 4eor 2brb 4ogj 3qgy 4ivb 4ivc 4f09 4ivd 1nvq 3myg \n30 4ivc 4ivc 4ivb 4ivd 4f09 4ogj 4e6q 3ge7 4e5w 2v7a 1nvq 2br1 \n31 4jia 2v7a 1nvq 4eor 2br1 4ogj 4ivd 2wtv 3qgy 3up2 1pxn 4ivc \n32 1nvq 1nvq 4ivd 2v7a 4ivb 4e5w 3up2 3qgy 4eor 4ivc 4kzu 4e6q \n33 2zcq 3tsk 4gr0 3zso 4cra 3ag9 4agp 3b68 1g2k 3zsx 4w9l 2zcr \n34 3utu 3utu 2zda 1k1i 1lpg 1sqa 1o3f 3coz 1z6e 2wbg 1oyt 1nc1 \n35 2p4y 3nw9 1eby 3ivg 1u1b 3coy 4cra 3ag9 3oe5 4crc 3utu 1s38 \n36 3myg 3myg 2brb 2br1 2v7a 4eor 2xnb 3ge7 4hge 4ivb 4ivd 4kzu \n37 1sqa 1sqa 3utu 1k1i 1lpg 1o3f 2zda 1o0h 1owh 4m0y 1z6e 4wiv \n38 3dd0 4f3c 1o3f 2cet 1nc1 3coy 4eky 3coz 3g2n 3syr 3nw9 4gfm \n39 2yki 2yki 3rlr 1r5y 3ge7 4eor 1owh 2wer 3g2n 1lpg 4j3l 3n86 \n40 3g0w 3arv 3g0w 3aru 2wn9 3b68 4jxs 1nc3 3zso 4dli 3pyy 3b65 \n41 2al5 1syi 4ddk 4ddh 4gkm 3qqs 3jya 4ih5 3r88 3lka 3f3a 3n76 \n42 4de1 4de3 4de2 1o3f 3mss 3n86 3zso 3g2n 3e92 3ejr 3coz 1o0h \n43 3fv1 4jxs 4de3 3zsx 4de2 3bgz 1syi 3zso 3dxg 3zt2 3f3a 3r88 \n44 2p15 3wz8 3gnw 3b68 3fur 3b5r 3b65 1g2k 3jvr 1z95 3k5v 3b1m \n45 1mq6 1k1i 3gc5 3ge7 2br1 1z6e 1r5y 2xbv 4m0y 1sqa 3utu 2y5h \n46 4f3c 1y6r 4f2w 1u1b 1nc1 1z6e 3coz 4eky 4f3c 3nw9 4lzs 3ag9 \n47 1o3f 1o3f 3coz 1sqa 1k1i 2zda 1o5b 3utu 1lpg 1o0h 1owh 3ge7 \n48 2vw5 4eor 3ge7 3rlr 4ivd 2br1 2brb 3up2 1yc1 4kzu 3qgy 4hge \n49 3kr8 4kzq 3kr8 4kzu 3gc5 4j3l 1r5y 3ge7 2xnb 3qgy 4j21 2br1 \n50 2x00 3e92 4cig 2zb1 2p15 1u1b 1g2k 2yki 2p4y 3k5v 1o0h 3b68 \n51 3nw9 3nw9 3coz 4k77 3ag9 1o3f 3oe4 3coy 4f2w 1u1b 1q8u 3ryj \n52 3zso 3zso 3zt2 4cig 3zsx 2qbp 3e93 2yki 4gr0 2zcq 2zcr 1u1b \n53 2xb8 3g2n 2xb8 3n76 2cet 3n86 3kr8 2xii 4gkm 3gc5 3ge7 4ih5 \n54 4w9h 3arp 4gid 3tsk 2xbv 4gr0 2vkm 3arq 3fur 3wz8 3b1m 3k5v \n55 3uex 3b68 1bzc 3b65 3tsk 3fur 1ydt 5a7b 3n76 4gr0 3ivg 1sqa \n56 4gr0 4gr0 3tsk 4gid 2xbv 3utu 3e93 2yki 2zcr 1lpg 1z6e 2vkm \n57 1u1b 1u1b 4x6p 3utu 3coy 3gc5 1z6e 1w4o 3ozs 3nw9 4eor 3ag9 \n\n 12 13 14 15 16 17 18 19 20 21 22 23 \\\n1 4cig 2yki 1o0h 3nw9 5tmn 1lpg 3ebp 4w9c 3tsk 3b68 2v7a 3jvr \n2 1lpg 1nvq 2qnq 2xbv 5tmn 3k5v 4crc 3zso 4eor 4cra 3gnw 1z6e \n3 2wer 1yc1 3gc5 3kr8 1nvq 3rr4 1pxn 4ogj 2fvd 4ivb 4ivd 4jia \n4 1owh 3coz 4ty7 3b68 3coy 3oe5 3ag9 1k1i 2qbr 3b65 4eky 3gc5 \n5 4ih5 4f9w 3coy 3qgy 3gc5 3arp 3pxf 4k77 4cig 3ivg 1o0h 1z6e \n6 3b68 4eky 3coz 4dli 3ebp 3ao4 2vw5 2p4y 4twp 3ivg 3aru 2qe4 \n7 5c2h 4k18 3uo4 3rr4 4k77 4rfm 4e6q 4eor 2fvd 2wtv 3ebp 5dwr \n8 2wn9 2xii 3ary 4dld 3pxf 4gfm 4qac 3b65 3g0w 3b5r 3u8n 3ivg \n9 1k1i 1nvq 1z6e 3nw9 3ivg 2vkm 4x6p 3coy 1sqa 3oe4 2brb 2qbr \n10 4dli 4qac 4ogj 3zso 3rlr 3ivg 1yc1 4djv 2qbr 2yge 3gc5 3pyy \n11 1q8u 1ydr 3g2n 4f2w 4wiv 3ejr 3coy 1nc1 1o0h 4ivd 3gc5 3n86 \n12 3g2n 1r5y 3kr8 3ebp 1z6e 3ryj 4jia 3n76 3ge7 4k18 4wiv 5dwr \n13 4gkm 3arq 1u1b 3u8k 1mq6 1y6r 3l7b 3d6q 1nc1 3coz 3ehy 3ge7 \n14 1g2k 4w9l 3e92 3arp 3b68 2p4y 1o0h 1z95 4gid 1u1b 2fxs 1y6r \n15 4x6p 1owh 3o9i 4e5w 1sqa 4j3l 4jia 3aru 3coz 4ih5 4hge 3oe5 \n16 3g0w 2p15 2r9w 2vkm 4cig 3ivg 2p4y 3b65 3e92 4gkm 3uew 4ddh \n17 1h23 3fcq 4gid 3jvr 4kz6 3uev 1uto 3gbb 3f3d 3g2z 3uew 3f3e \n18 2fxs 4e5w 4x6p 2j78 2xii 3ejr 4f2w 3n76 1y6r 1o0h 4ih5 4f3c \n19 3jvr 3b65 3tsk 4gr0 4cra 2xbv 3arp 1u1b 3oe5 3prs 5tmn 4crc \n20 3ge7 2y5h 4ih5 1u1b 4f09 4crc 2j78 1s38 1nc1 4ivb 4e5w 3gc5 \n21 3coz 1o3f 1o0h 4f09 4k77 4jia 4x6p 4ogj 1ydr 3coy 4k18 4f3c \n22 3b1m 3fur 3utu 2xbv 3b65 4crc 1u1b 3ozt 2zb1 3ozs 1z6e 3oe5 \n23 1nc3 3n86 3b65 2r9w 3pyy 3ao4 1k1i 3f3a 3qqs 5dwr 4hge 3g0w \n24 3b65 3syr 3rsx 4k18 4ddh 2wca 3e92 3bgz 4gkm 2zy1 1w4o 4de3 \n25 4ivd 4wiv 1bzc 3g2n 3nw9 2xii 1ydt 4e5w 3d4z 3rlr 1nc1 3dd0 \n26 4e6q 4kzq 3ge7 2br1 1q8u 4hge 2v7a 1ydr 1o0h 4kzu 1yc1 4f2w \n27 4eor 3jvs 4w9i 1yc1 1mq6 4qd6 3e5a 3gc5 2xbv 3oe4 3utu 2fvd \n28 3coz 1ydt 3oe4 4crc 4w9i 1z6e 1lpg 4x6p 4cra 4f2w 1eby 3b1m \n29 3up2 3uo4 4e5w 2xnb 4crc 1pxn 4kzq 3kr8 3gc5 2fvd 2br1 4kzu \n30 3up2 4eor 4kzq 1yc1 3gc5 1ydr 4hge 3qgy 1ydt 2brb 4k77 4kzu \n31 2brb 3myg 3ge7 4ivb 1yc1 4e5w 4hge 4f09 4e6q 4kzq 3uo4 2xnb \n32 4f09 3ge7 2brb 2br1 4hge 3gc5 3rlr 3kr8 2wtv 1pxn 2fxs 1yc1 \n33 3arp 3b1m 3wz8 5a7b 3pww 3e92 3e93 3utu 2xbv 2yki 3bv9 4gid \n34 1u1b 1s38 4ih5 1o0h 3syr 3ivg 2cet 4e5w 2xii 4f3c 4gfm 4f2w \n35 2yki 3fur 3d6q 3ozs 3b1m 3dxg 2zda 3jvr 3qqs 3oe4 3b68 4gid \n36 3qgy 4ogj 4kzq 1pxn 4ivc 3kr8 4f09 1yc1 4e5w 3rr4 3gc5 4e6q \n37 3ivg 3gc5 3ge7 4m0z 1nc1 3ryj 3qgy 1u1b 1o5b 4abg 3kr8 1s38 \n38 3d4z 3gc5 1ydt 4f2w 1u1b 4ivc 3utu 3ryj 3u5j 3ge7 3rlr 3n76 \n39 4e5w 2xb8 1sqa 1z6e 3oe4 4ciw 1yc1 4crc 2xii 2cet 3nw9 1o3f \n40 3e92 4ih5 3bgz 3b1m 3pxf 4j21 4eky 3g2n 1qkt 4gfm 1bcu 3fur \n41 3ao4 2ymd 2al5 1h22 4kz6 3gbb 3gy4 1uto 1p1q 4ciw 2hb1 3f3c \n42 2yki 4qd6 1owh 1w4o 2wca 4k18 5c2h 4eky 3rr4 4w9c 3ivg 3kr8 \n43 4dld 4ddh 2hb1 4eky 2al5 1qf1 2cet 1gpk 3nx7 1vso 3mss 3g2n \n44 1k1i 2r9w 4cig 3ivg 3utu 4k18 3zsx 5a7b 3zso 3arp 3bv9 2yfe \n45 1mq6 4ivc 2zda 2brb 1s38 4kzu 4e6q 2wbg 4ivd 4j3l 3rr4 1u1b \n46 1o3f 4m0y 1ydr 4ivb 2cet 4ivd 1o0h 4twp 4ih5 1q8u 4m0z 2y5h \n47 4f3c 4x6p 1u1b 3d4z 4de1 1z6e 1q8u 3ivg 3nw9 3dd0 2wbg 4j3l \n48 3kr8 3nw9 4f3c 3d6q 1nvq 4ogj 4ivb 1e66 2wer 1nc1 1mq6 2yge \n49 2v7a 4eor 4m0y 3rr4 4ivc 3myg 1o0h 4ivb 4hge 2brb 2cet 4ogj \n50 3arv 4k18 4w9i 2yge 3pxf 3b65 3b1m 4dld 3coz 5dwr 3jvr 5c2h \n51 1nc1 4f3c 4gfm 1s38 1o0h 1y6r 3gc5 2zda 3b68 3utu 4m0z 1r5y \n52 2qbr 2zb1 1h22 1yc1 3e92 1k1i 2qbq 4djv 3uri 1qf1 4eo8 2p4y \n53 4eky 3qqs 3syr 4kzq 4ciw 4wiv 1r5y 3bgz 3ejr 2wbg 1nc1 3d6q \n54 4qac 4w9c 3b68 3zso 3jvr 1z95 3pyy 4agq 4k18 3b5r 4w9l 5a7b \n55 3uex 4crc 4agp 4f9w 3b5r 1owh 3k5v 3mss 1o3f 4qac 4k18 3coy \n56 4w9l 3gnw 3ag9 4crc 4x6p 1h23 1sqa 4cra 4twp 4w9h 3mss 3arp \n57 3zso 1yc1 3d6q 3ivg 3fur 3up2 3coz 3ebp 3oe4 3o9i 4e5w 3dxg \n\n 24 25 26 27 28 29 \n1 4w9h 2c3i 2fxs 3e93 3gnw 3p5o \n2 1mq6 3oe5 4gr0 3oe4 4w9l 3ivg \n3 4twp 4qd6 3up2 2xnb 4k18 3u5j \n4 1bzc 2xii 3jvs 1u1b 3zso 3syr \n5 3cj4 5dwr 3ebp 4twp 4e6q 1w4o \n6 3tsk 3ag9 3fur 2zb1 1u1b 4k18 \n7 3coy 3b27 3rlr 3p5o 1q8u 3coz \n8 4mme 3aru 4f9w 4ih5 3arp 1k1i \n9 2yki 1lpg 3ozs 3tsk 3utu 2y5h \n10 3bgz 2br1 4m0y 4jia 3b1m 4k18 \n11 4ivb 4gfm 2j7h 3n76 4ih5 4k77 \n12 3coz 1o0h 2br1 4kzu 1u1b 3ui7 \n13 3f3a 4qac 3ary 3jvr 1z95 3ozs \n14 1sqa 1o3f 4eky 3fur 5a7b 1k1i \n15 3arq 4crc 1r5y 3g2n 1lpg 2p4y \n16 1e66 3g2n 3b1m 3tsk 3gnw 4hge \n17 3jya 3gy4 3arp 2vkm 2ymd 1h22 \n18 4ciw 3u5j 3rlr 2xb8 2j7h 3oe5 \n19 3arq 1z6e 3e92 3k5v 3b68 4k18 \n20 4kzq 2xb8 4gkm 3qqs 3u5j 2hb1 \n21 4crc 3uuo 1nc1 4gfm 4ih5 4eky \n22 1sqa 4jia 3b5r 3jvr 4hge 3o9i \n23 3g2z 1u1b 3tsk 1z95 2xdl 2fxs \n24 1gpk 4jia 2p4y 3jvr 2cet 2xii \n25 2wbg 4de1 4f09 4gfm 4x6p 3l7b \n26 4ogj 4f09 1nc1 3oe5 1pxn 4x6p \n27 5tmn 4cra 4w9h 3ivg 3zso 2wca \n28 1o3f 3b68 2vkm 3arq 4w9h 3arp \n29 2fxs 1yc1 3ge7 4e6q 4hge 4x6p \n30 3ebp 4f2w 4f3c 1r5y 2fxs 1y6r \n31 3gc5 4kzu 2c3i 3e5a 3kr8 4jia \n32 4kzq 1ydr 2xnb 4twp 2c3i 4rfm \n33 3gnw 4crc 2wtv 3uri 2qnq 3fur \n34 3u5j 3nw9 3ge7 1r5y 3ryj 4k77 \n35 3wz8 2vkm 1lpg 4f3c 2qbq 4x6p \n36 1nvq 2wtv 4rfm 4j3l 4twp 4j21 \n37 3n86 4de1 3coz 4x6p 3gy4 4k77 \n38 3dd0 4wiv 1o0h 2fxs 4kzu 2wbg \n39 4e6q 3e5a 3oe5 3zso 4w9i 2p4y \n40 3k5v 4k18 2zy1 3cj4 1h22 2zb1 \n41 3gr2 4jxs 4owm 3kgp 4jsz 3twp \n42 3zt2 3zsx 3pyy 4de1 2zy1 4gr0 \n43 3uri 1yc1 1z9g 3fv1 3coy 4ih7 \n44 5c2h 3pyy 4w9c 2vkm 4eo8 3jvs \n45 1yc1 3kr8 1y6r 4ivb 3coz 1o3f \n46 4ivc 2zda 3ge7 2yki 3rlr 3arq \n47 4crc 3coy 4gfm 2cet 4f2w 1nc1 \n48 3l7b 3gc5 4ivc 3ag9 4f09 3b27 \n49 4eky 4k18 3uuo 1pxn 1ydr 2c3i \n50 4w9c 4agp 3uex 3tsk 3ebp 4j3l \n51 4ih5 3g2n 4wiv 1z6e 4eky 3dd0 \n52 1h23 4de2 4dld 3f3a 2zy1 3uev \n53 4jxs 3pyy 4f2w 4j21 3ozs 4x6p \n54 3utu 3jvs 4agp 1u1b 1lpg 3b65 \n55 3b1m 4agq 1o0h 3jvr 2zcr 3uew \n56 3oe4 4djv 3uri 3arq 1eby 4w9i \n57 1eby 3ozt 2y5h 3b1m 3b65 5c2h \n\nSummary of the forward screening power: =========================================================\nAverage enrichment factor among top 1% = 16.41\nAverage enrichment factor among top 5% = 7.36\nAverage enrichment factor among top 10% = 5.16\nThe best ligand is found among top 1% candidates for 25 cluster(s); success rate = 43.9%\nThe best ligand is found among top 5% candidates for 35 cluster(s); success rate = 61.4%\nThe best ligand is found among top 10% candidates for 47 cluster(s); success rate = 82.5%\n================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Forward_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Forward_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_3A/ReverseScreeningPower_DeepDock_3A.out", "content": " code 1 2 3 4 5 6\n1 4llx 3kr8 4f3c 1o3f 3utu 2qbp 3ejr\n2 5c28 3kr8 3ge7 4f3c 3nw9 1mq6 4pcs\n3 3uuo 3kr8 3ge7 4ivc 1nvq 3ebp 4jia\n4 3ui7 3kr8 1nvq 4jia 4ivc 3ge7 3nw9\n5 5c2h 5c2h 4twp 1nvq 4ivc 3kr8 3ge7\n6 2v00 4f3c 3g0w 3fv1 2yki 2xb8 3u8n\n7 3wz8 5c2h 2p15 1e66 4w9h 2p4y 3e93\n8 3pww 3o9i 3uri 3nw9 5c2h 4gid 4tmn\n9 3prs 4f3c 3o9i 4gid 3kr8 3coy 2qbp\n10 3uri 4f3c 2yki 2qbp 4ivc 3kr8 2xb8\n11 4m0z 4ivc 4f3c 1nvq 3nw9 3kr8 3ge7\n12 4m0y 3kr8 4f3c 1mq6 4ivc 4jia 3ge7\n13 3qgy 4jia 3kr8 1nvq 2fvd 4rfm 4twp\n14 4qd6 4rfm 4jia 1nvq 3myg 5c2h 4tmn\n15 4rfm 4rfm 4jia 3kr8 1nvq 3myg 4twp\n16 4cr9 3kr8 4ivc 4jia 3myg 3ge7 3utu\n17 4cra 4ty7 3ge7 3e93 4f3c 3utu 3nw9\n18 4x6p 3ge7 3kr8 4ty7 2fvd 3e93 1o3f\n19 4crc 2fvd 3ag9 3ge7 2qbp 4ty7 4jia\n20 4ty7 3kr8 4ty7 4f3c 4jia 3ge7 3utu\n21 5aba 1e66 3u8n 3ge7 4f3c 3nw9 5c2h\n22 5a7b 2p15 4w9h 2p4y 4gid 3coy 3u8n\n23 4agn 3ge7 3kr8 1nvq 3e93 1e66 4agq\n24 4agp 3ge7 1e66 3kr8 4w9h 4gid 5c2h\n25 4agq 1e66 4w9h 3ge7 5c2h 3kr8 2p15\n26 3bgz 4ivc 3ge7 1nvq 4f3c 2xb8 3fv1\n27 3jya 3ge7 2al5 3u8n 3kr8 3ebp 4f3c\n28 2c3i 4jia 3kr8 4twp 1nvq 4ivc 2fvd\n29 4k18 3kr8 4ivc 1nvq 3ge7 4twp 4jia\n30 5dwr 5dwr 4twp 3ebp 3nw9 2fvd 4ivc\n31 3mss 3fv1 2yki 4de1 3g0w 3u8n 4gid\n32 3k5v 4f3c 3coy 2p15 3g0w 4gid 1e66\n33 3pyy 3u8n 1e66 3g0w 2xb8 4f3c 3ebp\n34 2v7a 4jia 4twp 1nvq 2fvd 3myg 4ivc\n35 4twp 4twp 3kr8 1nvq 4f3c 4jia 3myg\n36 3wtj 4f3c 1mq6 3nw9 3kr8 3ebp 3utu\n37 3zdg 4f3c 3ge7 2vvn 3u8n 3ebp 2al5\n38 3u8k 2vvn 3u8n 2al5 4f3c 3ebp 1e66\n39 4qac 3u8n 5dwr 4w9h 3nw9 2vvn 1e66\n40 3u8n 3u8n 2al5 1e66 3ebp 4agq 4f3c\n41 1a30 4f3c 3fv1 2xb8 3kr8 3g0w 3u8n\n42 2qnq 3o9i 3nw9 3kr8 3coy 2yki 4f3c\n43 1g2k 4gid 2p15 3o9i 3coy 1e66 3g0w\n44 1eby 4gid 2p4y 3kr8 3coy 3gnw 4f3c\n45 3o9i 3o9i 4f3c 3e93 3kr8 4gid 3nw9\n46 4lzs 4f3c 3kr8 4jia 3ge7 4ivc 3utu\n47 3u5j 3kr8 3utu 3nw9 4f3c 2cet 3ge7\n48 4wiv 4ivc 3kr8 3nw9 3ejr 3ge7 3utu\n49 4ogj 4jia 4ivc 2fvd 3myg 3kr8 4twp\n50 3p5o 3ge7 1mq6 4twp 4jia 3p5o 3utu\n51 1ps3 3kr8 2cet 3ejr 3utu 3nw9 4ivc\n52 3dx1 2cet 3ejr 4pcs 2qbp 2al5 2xb8\n53 3d4z 3kr8 2cet 3ejr 4pcs 1o3f 4ivc\n54 3dx2 2cet 3ejr 3kr8 2al5 4pcs 2xb8\n55 3ejr 4f3c 3ejr 2cet 2yki 2xb8 1o3f\n56 3l7b 3kr8 4f3c 2cet 4pcs 3ge7 3utu\n57 4eky 3kr8 4f3c 4pcs 3ge7 2qbp 3nw9\n58 3g2n 2cet 4pcs 2xb8 3kr8 2yki 3nw9\n59 3syr 2cet 3utu 3ejr 3kr8 4pcs 2qbp\n60 3ebp 4ivc 3kr8 4jia 1nvq 2fvd 3myg\n61 2w66 2vvn 1e66 3u8n 2al5 2xb8 4ty7\n62 2w4x 4f3c 3kr8 3u8n 2al5 2vvn 2xb8\n63 2wca 4f3c 2vvn 3kr8 1mq6 3ge7 4tmn\n64 2xj7 2vvn 4f3c 3ge7 3kr8 3nw9 4pcs\n65 2vvn 2vvn 3ge7 4f3c 4tmn 3nw9 3kr8\n66 3aru 3ge7 1e66 3g0w 3kr8 4f3c 3nw9\n67 3arv 3g0w 3u8n 1e66 3ebp 2xb8 4agq\n68 3ary 3kr8 3nw9 3u8n 3ge7 3ebp 1mq6\n69 3arq 4f3c 3ge7 1e66 3kr8 3coy 3nw9\n70 3arp 4w9h 1e66 3nw9 4f3c 3coy 3u8n\n71 4ih5 4f3c 3utu 3ge7 3kr8 4ivc 3nw9\n72 4ih7 3kr8 2al5 3u8n 3fv1 1nvq 3e93\n73 3cj4 3u8n 1e66 4f3c 2vvn 3g0w 3ebp\n74 4eo8 3u8n 2p15 2vvn 2xb8 1e66 4f3c\n75 3gnw 2p15 4f3c 1e66 3e93 4gid 5c2h\n76 1gpk 4f3c 3kr8 3fv1 2al5 4ivc 2xb8\n77 1gpn 4f3c 3kr8 3fv1 1nvq 2xb8 4twp\n78 1h23 4f3c 2qbp 2yki 3g0w 2xb8 3ge7\n79 1h22 4f3c 2al5 2yki 3g0w 1e66 3u8n\n80 1e66 3kr8 3myg 1mq6 4f3c 2yki 2vw5\n81 3f3a 2al5 3u8n 3fv1 2vvn 1e66 4f3c\n82 3f3c 2al5 3u8n 4pcs 3fv1 3ejr 2cet\n83 4mme 2vvn 3u8n 4f3c 1e66 3g0w 3nw9\n84 3f3d 2vvn 2cet 2al5 3fv1 4pcs 3ejr\n85 3f3e 2cet 2xb8 4pcs 3ejr 2al5 2yki\n86 2wbg 3ejr 2cet 3utu 3kr8 1mq6 3ge7\n87 2cbv 3utu 4pcs 2cet 3ejr 2yki 2al5\n88 2j78 3kr8 3ejr 2cet 4pcs 3utu 4ivc\n89 2j7h 3ejr 3kr8 2cet 3utu 4pcs 1mq6\n90 2cet 3kr8 2cet 4f3c 3ejr 4ivc 3utu\n91 3udh 3u8n 4gid 2p15 4f3c 1e66 4w9h\n92 3rsx 3ge7 3kr8 4f3c 3utu 3g0w 3u8n\n93 4djv 3g0w 4f3c 4gid 2yki 3coy 3nw9\n94 2vkm 4gid 3uri 3coy 1e66 4w9h 2p4y\n95 4gid 4gid 4w9h 3utu 4gr0 3uri 3coy\n96 4jfs 3g0w 2xb8 1e66 4f3c 2vvn 4pcs\n97 4j28 2vvn 3kr8 1e66 3u8n 1mq6 4f3c\n98 2wvt 4pcs 3kr8 3utu 2cet 2xb8 3ejr\n99 2xii 4pcs 3kr8 3utu 2xb8 2cet 2yki\n100 4pcs 2xb8 3fv1 4f3c 2cet 3g0w 4pcs\n101 3rr4 3kr8 3myg 4jia 4rfm 1nvq 4ivc\n102 1s38 3kr8 3utu 3nw9 3ge7 1mq6 4ivc\n103 1r5y 3kr8 3ge7 1mq6 4ivc 4jia 2yki\n104 3gc5 3ge7 3kr8 4ivc 1nvq 4jia 1mq6\n105 3ge7 3ge7 4ivc 4jia 3kr8 3myg 1nvq\n106 4dli 3kr8 3u8n 4f3c 3ebp 3g0w 3ge7\n107 2zb1 3e93 4f3c 3g0w 5c2h 4twp 1nvq\n108 4f9w 3u8n 3kr8 3ge7 2xb8 2fvd 3ebp\n109 3e92 4f3c 3utu 3g0w 1e66 3e93 4gid\n110 3e93 3e93 3kr8 4twp 4gr0 5c2h 3nw9\n111 4owm 3kr8 3utu 3ejr 2cet 2al5 2p4y\n112 3twp 2al5 3kr8 3f3e 3nw9 4f3c 2xb8\n113 3r88 2al5 3fv1 4f3c 3u8n 3kr8 2xb8\n114 4gkm 2xb8 2al5 4f3c 3kr8 3ebp 1e66\n115 3qqs 2al5 2xb8 4f3c 3kr8 4pcs 2p4y\n116 3gv9 2xb8 3kr8 2al5 2qbp 3fv1 1o3f\n117 3gr2 3u8n 2al5 1e66 3qqs 2vvn 3f3e\n118 4kz6 2al5 2xb8 3ebp 3u8n 2qbp 4f3c\n119 4jxs 3fv1 3g0w 2xb8 4f3c 2al5 2qbp\n120 2r9w 1e66 2p15 5dwr 3g0w 2fvd 3u8n\n121 2hb1 2qbp 3utu 3kr8 4pcs 2al5 1o3f\n122 1bzc 2qbp 2yki 3e93 3ebp 4ty7 3ge7\n123 2qbr 2qbp 4f3c 3ge7 2yki 1mq6 4ty7\n124 2qbq 4f3c 2qbp 3ge7 4ivc 2yki 3nw9\n125 2qbp 2qbp 1nvq 3nw9 4f3c 3utu 3e93\n126 1q8t 3ge7 3utu 4ivc 3nw9 3kr8 1nvq\n127 1ydr 4ivc 3kr8 1nvq 4f3c 3ge7 3ag9\n128 1q8u 4jia 1nvq 4f3c 3nw9 3ag9 3kr8\n129 1ydt 4ivc 4jia 2cet 1nvq 3ejr 2fvd\n130 3ag9 3ag9 3nw9 4f3c 3coy 4ivc 2p4y\n131 3fcq 2xb8 2al5 3u8n 2p4y 3qqs 3ebp\n132 1z9g 3fv1 4f3c 3e93 2xb8 3kr8 3u8n\n133 1qf1 4tmn 3u8n 3fv1 3e93 1e66 3kr8\n134 5tmn 4gid 5c2h 4tmn 1mq6 3kr8 3coy\n135 4tmn 4tmn 3coy 1mq6 1e66 3uri 2p15\n136 4ddk 2al5 3u8n 4f3c 3f3e 2xb8 3g0w\n137 4ddh 3u8n 2al5 1e66 3fv1 3qqs 2xb8\n138 3ivg 3coy 3utu 3ge7 4f3c 3kr8 3e93\n139 3coz 4f3c 3nw9 3ge7 3utu 4ivc 3kr8\n140 3coy 3nw9 3ge7 4ivc 4jia 3coy 3utu\n141 3pxf 3u8n 3g0w 3ebp 1e66 2xb8 3qqs\n142 4eor 4jia 3myg 2fvd 1nvq 4ivc 3kr8\n143 2xnb 3kr8 3myg 4jia 2fvd 4twp 1nvq\n144 1pxn 4jia 4twp 3myg 3kr8 1nvq 2fvd\n145 2fvd 2fvd 3kr8 1nvq 4rfm 4twp 4ivc\n146 4k77 4ivc 3nw9 3ge7 4jia 1nvq 3kr8\n147 4e5w 1nvq 4ivc 4jia 3ge7 2fvd 3ag9\n148 4ivb 4ivc 1nvq 4jia 2fvd 3myg 3ge7\n149 4ivd 4ivc 1nvq 4jia 2fvd 3myg 3ge7\n150 4ivc 4ivc 4jia 1nvq 3ge7 2fvd 3kr8\n151 4f09 4ivc 4jia 1nvq 2fvd 3myg 3kr8\n152 4gfm 3nw9 3ge7 4f3c 4ivc 3utu 3ebp\n153 4hge 4jia 4rfm 3myg 4ivc 1nvq 3kr8\n154 4e6q 4ivc 1nvq 4jia 3ge7 2cet 3myg\n155 4jia 4jia 3ge7 4ivc 1nvq 3kr8 2fvd\n156 2brb 4jia 3myg 4rfm 2fvd 1nvq 3kr8\n157 2br1 4jia 3myg 4ivc 3kr8 1nvq 4rfm\n158 3jvr 3u8n 1e66 4gid 4f3c 3e93 2p15\n159 3jvs 3e93 3coy 5c2h 4tmn 4ty7 3kr8\n160 1nvq 1nvq 4jia 4ivc 2fvd 3ag9 3kr8\n161 3acw 4w9h 3u8n 4gid 3g0w 4f3c 2p15\n162 4ea2 3coy 3u8n 1e66 4w9h 3ge7 4ty7\n163 2zcr 4gr0 2yki 2zcq 4w9h 3g0w 3zso\n164 2zy1 4f3c 3g0w 3utu 2xb8 2qbp 2al5\n165 2zcq 3g0w 2yki 3u8n 4gid 4w9h 3fv1\n166 1bcu 3u8n 3g0w 1e66 2al5 3ebp 2vvn\n167 3bv9 4f3c 1mq6 3utu 3kr8 2p15 4gid\n168 1oyt 3utu 4f3c 3ge7 1mq6 1o3f 3nw9\n169 2zda 3utu 4f3c 1o3f 1mq6 3nw9 4gid\n170 3utu 3utu 1mq6 4ty7 3nw9 1o3f 1sqa\n171 3u9q 2al5 3u8n 3fv1 1e66 3g0w 2xb8\n172 2yfe 3u8n 2p15 3g0w 4gid 2p4y 4w9h\n173 3fur 3coy 3ge7 3e93 3kr8 4f3c 3nw9\n174 3b1m 3e93 3coy 2yki 4f3c 4gid 3g0w\n175 2p4y 3kr8 5c2h 4gid 2yki 3ge7 1e66\n176 3uo4 4jia 2fvd 1nvq 4twp 3kr8 3myg\n177 3up2 4jia 1nvq 4ivc 2fvd 4twp 3kr8\n178 3e5a 4jia 3kr8 4ivc 2fvd 1mq6 2yki\n179 2wtv 4jia 1nvq 3myg 2fvd 4twp 3kr8\n180 3myg 3myg 4jia 4rfm 3kr8 2fvd 1nvq\n181 3kgp 2al5 4f3c 3utu 3u8n 3ebp 1o3f\n182 1c5z 3utu 1mq6 1o3f 3nw9 4f3c 3kr8\n183 1o5b 3kr8 1o3f 4ivc 4f3c 3utu 3ge7\n184 1owh 2yki 1o3f 3coy 1mq6 4ty7 3nw9\n185 1sqa 3utu 1mq6 1sqa 1o3f 3ge7 3coy\n186 4jsz 4f3c 3utu 3nw9 2al5 3kr8 3dd0\n187 3kwa 2al5 1e66 3f3e 2vvn 3u8n 4f3c\n188 2weg 4f3c 3kr8 3nw9 3utu 3ge7 3ebp\n189 3ryj 3nw9 3kr8 3utu 3ge7 3ebp 4f3c\n190 3dd0 3ge7 3kr8 3ebp 3nw9 4f3c 1o3f\n191 2xdl 3u8n 3qqs 3g0w 2al5 4f3c 1e66\n192 3b27 3kr8 4ivc 2fvd 1nvq 3ge7 4twp\n193 1yc1 4jia 4ivc 3myg 1nvq 4rfm 2fvd\n194 3rlr 2yki 1nvq 3ge7 4ivc 4jia 4f3c\n195 2yki 2yki 4f3c 3e93 3ge7 3nw9 3kr8\n196 1z95 2p15 4f3c 2vvn 3g0w 4w9h 3u8n\n197 3b68 4f3c 3nw9 3e93 1e66 3u8n 3g0w\n198 3b5r 3u8n 2p15 4f3c 3e93 1e66 3g0w\n199 3b65 3e93 3u8n 3g0w 4f3c 4gid 2p15\n200 3g0w 3g0w 3u8n 1e66 3nw9 3ebp 3ge7\n201 4u4s 3u8n 1e66 3nw9 3ebp 4agq 5c2h\n202 1p1q 2al5 3ejr 2yki 3dd0 2xb8 3fv1\n203 1syi 2al5 3fv1 4f3c 2qbp 3u8n 2xb8\n204 1p1n 2qbp 2al5 2cet 3ejr 2yki 3fv1\n205 2al5 2al5 3fv1 3utu 3ge7 4ivc 2cet\n206 3g2z 3u8n 4f3c 3kr8 3utu 3ebp 4pcs\n207 3g31 2al5 3u8n 3qqs 1e66 3fv1 2yki\n208 4de2 3kr8 3ge7 2qbp 4f3c 4ivc 3fv1\n209 4de3 3ge7 4f3c 3fv1 3kr8 2qbp 4de1\n210 4de1 4ivc 1o3f 3nw9 3ge7 3kr8 1nvq\n211 1vso 2al5 3fv1 3u8n 2xb8 3kr8 1e66\n212 4dld 4ivc 3u8n 3fv1 1mq6 4f3c 1e66\n213 3gbb 2al5 3fv1 2qbp 2cet 2xb8 4f3c\n214 3fv2 4f3c 3fv1 2al5 2cet 2qbp 2xb8\n215 3fv1 3fv1 2al5 4f3c 2cet 1o3f 2xb8\n216 4mgd 4f3c 3g0w 3nw9 3ebp 3coy 3u8n\n217 2qe4 3ge7 4f3c 1nvq 4ivc 3ebp 2yki\n218 1qkt 3g0w 3ge7 3utu 2al5 4ivc 3u8n\n219 2pog 3nw9 4ivc 4f3c 3ge7 1nvq 3ebp\n220 2p15 1e66 4f3c 2qbp 3u8n 3nw9 4ty7\n221 2y5h 1mq6 4f3c 4pcs 1o3f 3ge7 3ebp\n222 1lpg 3utu 1o3f 2yki 1sqa 3arp 1mq6\n223 2xbv 1mq6 3coy 3arp 3e93 3nw9 4f3c\n224 1z6e 4f3c 1mq6 3utu 3kr8 3nw9 2yki\n225 1mq6 1mq6 4f3c 3myg 3ebp 4tmn 2vw5\n226 1nc3 3u8n 3g0w 4f3c 3nw9 3ge7 1e66\n227 1nc1 4f3c 3kr8 4ivc 3utu 3nw9 3ge7\n228 1y6r 4f3c 4ivc 3nw9 3ge7 3ejr 1mq6\n229 4f2w 4f3c 4ivc 3kr8 3nw9 4jia 1nvq\n230 4f3c 4f3c 4ivc 3ge7 1nvq 3nw9 4jia\n231 1uto 2al5 3utu 3f3e 4pcs 4f3c 3kr8\n232 4abg 4f3c 3utu 3kr8 1mq6 1o3f 1sqa\n233 3gy4 3utu 4f3c 1o3f 2al5 3ge7 1sqa\n234 1k1i 1mq6 3utu 1o3f 1sqa 4f3c 3u8n\n235 1o3f 1o3f 3nw9 3ge7 4f3c 3utu 3kr8\n236 2yge 3ge7 1nvq 4f3c 2vw5 3g0w 3kr8\n237 2fxs 3ge7 1nvq 4ivc 4jia 3ag9 2fvd\n238 2iwx 3kr8 4ivc 4jia 1nvq 2yki 3ag9\n239 2wer 4rfm 3kr8 4f3c 2yki 4ivc 1nvq\n240 2vw5 3ge7 4f3c 3kr8 4ivc 3g0w 1e66\n241 4kzq 3kr8 4ivc 4jia 3myg 1nvq 2fvd\n242 4kzu 3kr8 1nvq 4twp 3myg 4jia 4ivc\n243 4j21 3kr8 3myg 4ivc 3ge7 2fvd 1mq6\n244 4j3l 3kr8 3ge7 4ivc 3myg 1mq6 2yki\n245 3kr8 3kr8 3myg 1nvq 4jia 2fvd 4ivc\n246 2ymd 2al5 4f3c 3u8n 3utu 3ebp 3ge7\n247 2wnc 3kr8 4f3c 3u8n 3g0w 3nw9 1e66\n248 2xys 3u8n 2p15 1e66 4f3c 4gid 3g0w\n249 2wn9 3g0w 3u8n 1e66 4f3c 3ebp 3qqs\n250 2x00 1e66 4f3c 4w9h 2p15 3g0w 3u8n\n251 3ozt 3ge7 1mq6 3kr8 3ag9 4f3c 2yki\n252 3ozs 3kr8 4ivc 3nw9 4f3c 3e93 3utu\n253 3oe5 3kr8 3ag9 4ivc 2yki 3myg 3nw9\n254 3oe4 3nw9 4f3c 3kr8 3e93 2yki 3coy\n255 3nw9 3nw9 4f3c 3coy 4ivc 3e93 4gid\n256 3ao4 4f3c 3ge7 3u8n 3nw9 2al5 2vvn\n257 3zt2 3u8n 3fv1 3qqs 1e66 3g0w 3zso\n258 3zsx 4f3c 3kr8 3fv1 3e93 3ge7 2p15\n259 4cig 1e66 5c2h 3coy 2p15 3u8n 4f3c\n260 3zso 3e93 1e66 2yki 3g0w 4f3c 4gid\n261 3n7a 3kr8 3ejr 2xb8 2yki 3nw9 3ge7\n262 4ciw 3kr8 2yki 3utu 2cet 2xb8 3ge7\n263 3n86 2cet 2yki 3ge7 2xb8 3kr8 3ejr\n264 3n76 3kr8 3ge7 2xb8 2cet 4ivc 3ejr\n265 2xb8 3kr8 2xb8 2yki 2cet 4pcs 1mq6\n266 4bkt 3kr8 2qbp 3ge7 2cet 4f3c 3ejr\n267 4w9c 4f3c 3kr8 3g0w 3utu 5c2h 4w9h\n268 4w9l 4f3c 3kr8 2p4y 3ge7 2yki 3arp\n269 4w9i 3kr8 3coy 2yki 4f3c 4tmn 1mq6\n270 4w9h 4f3c 3coy 4tmn 3kr8 5c2h 1nvq\n271 3nq9 2al5 3u8n 2xb8 2vvn 3fv1 3qqs\n272 3ueu 3fv1 2al5 3g0w 1e66 2xb8 4f3c\n273 3uev 2al5 3fv1 1e66 3g0w 3u8n 2xb8\n274 3uew 1e66 2al5 3g0w 3fv1 2xb8 4w9h\n275 3uex 2al5 3g0w 3fv1 3u8n 2xb8 1e66\n276 3lka 4f3c 2al5 3nw9 3dd0 3utu 3ebp\n277 3ehy 4f3c 3nw9 3u8n 2vvn 1e66 2xb8\n278 3tsk 3e93 4gr0 4f3c 4gid 3coy 4w9h\n279 3nx7 4f3c 2vvn 3nw9 3utu 3fv1 1o3f\n280 4gr0 4gr0 4gid 4w9h 3coy 2zcq 3e93\n281 3dxg 3ge7 3kr8 4f3c 3fv1 3nw9 2p4y\n282 3d6q 3kr8 1nvq 4f3c 2fvd 4ivc 2vw5\n283 1w4o 4f3c 3kr8 3ge7 2vvn 3nw9 3u8n\n284 1o0h 3kr8 3ge7 4f3c 4ivc 3utu 3nw9\n285 1u1b 4f3c 3kr8 3nw9 3utu 1mq6 3coy\n\nSummary of the reverse screening power: =========================================================\nThe best target is found among top 1% candidates for 68 ligand(s); success rate = 23.9%\nThe best target is found among top 5% candidates for 112 ligand(s); success rate = 39.3%\nThe best target is found among top 10% candidates for 145 ligand(s); success rate = 50.9%\n=================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Reverse_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Reverse_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_5A/ForwardScreeningPower_DeepDock_5A.out", "content": " Target 1 2 3 4 5 6 7 8 9 10 11 \\\n1 5c2h 1nvq 5c2h 1u1b 2v7a 3qgy 3e93 4ogj 3prs 4eor 3pww 3wz8 \n2 3uri 2vkm 3uri 1eby 4gid 3o9i 3ag9 2p4y 1g2k 3pww 4gr0 3e93 \n3 4rfm 3myg 2brb 3qgy 4rfm 2v7a 4hge 2br1 1nvq 4ivc 4eor 1yc1 \n4 4ty7 4x6p 1o3f 4crc 4cra 3nw9 3ag9 1z6e 1lpg 3ivg 2zda 1u1b \n5 4agq 1z6e 2p4y 1nvq 4jia 3arq 5c2h 3qgy 4k18 1u1b 4ogj 3b1m \n6 5dwr 1nvq 5dwr 3ag9 1u1b 2yge 3arq 3qgy 2p4y 4ogj 3b1m 3ebp \n7 4twp 2v7a 3qgy 1pxn 4ogj 2xnb 4twp 5c2h 4kzu 3up2 2wtv 2c3i \n8 3u8n 3zso 3b68 3qgy 3arp 2p15 3b1m 1u1b 3cj4 3pyy 3arq 3ag9 \n9 3o9i 3o9i 2qnq 1eby 3prs 3pww 2vkm 1nvq 4cra 1g2k 4gid 1z6e \n10 3p5o 3ag9 3p5o 4ogj 3utu 2yge 3gnw 2p4y 3arq 4crc 3ge7 1z6e \n11 3ejr 4e5w 2cet 1ydt 2wbg 4ivd 1q8u 3syr 1o0h 4wiv 1ydr 3coy \n12 3ebp 1o3f 3uuo 5dwr 3b68 4eky 3ebp 4k77 1nvq 1z6e 3ge7 2cet \n13 2vvn 1u1b 3ge7 3coz 3nw9 3d6q 2wca 4x6p 2vvn 1w4o 4mme 3coy \n14 3arp 1lpg 3ag9 3utu 4gid 1z6e 2xbv 3pww 1mq6 4w9l 3tsk 4cig \n15 3gnw 1eby 4crc 3ag9 3zso 1o3f 4x6p 1lpg 3utu 3gnw 1nvq 4ivd \n16 1e66 3ag9 3zso 3arq 2p4y 1u1b 2vkm 3tsk 3arp 2p15 4w9l 3jvs \n17 3f3e 5c2h 3nw9 3coy 4ea2 3ag9 3n76 1h23 3arp 5dwr 1h22 3n86 \n18 2cet 4x6p 4e6q 2wbg 2cet 3g2n 1ydt 3coy 1nc1 3ejr 3n86 4f2w \n19 4gid 4gid 2vkm 3nw9 3utu 2p4y 3ag9 1eby 4gr0 1u1b 3prs 3zso \n20 4pcs 4eky 3g2n 2cet 4ivb 2xii 4ivd 4e6q 4eor 3u5j 4ivc 3d4z \n21 3ge7 3ge7 4ivd 4ivc 4e6q 3gc5 4e5w 4ogj 1o3f 4ivb 4x6p 3coz \n22 3e93 3e93 3utu 1u1b 3nw9 3zso 3tsk 3b1m 4cra 1z6e 4crc 3o9i \n23 3qqs 3b68 1u1b 5dwr 3zt2 3zso 1h22 1k1i 2vw5 4gkm 4cig 2wn9 \n24 2r9w 2r9w 3pyy 1u1b 3ejr 2wtv 1o3f 3ag9 3up2 4jia 4cig 3b1m \n25 2qbp 4crc 4eky 3nw9 2qbp 3ag9 4x6p 1z6e 1nvq 2qbr 4ivd 3uri \n26 3ag9 3ag9 1nvq 4crc 4ivb 4e5w 4ogj 4ivc 2brb 4ivd 4x6p 3qgy \n27 4tmn 4rfm 3pww 4w9i 4tmn 4jia 3nw9 3uri 1u1b 5c2h 4gid 3myg \n28 3coy 3ag9 3nw9 3utu 1u1b 3b1m 4x6p 3ivg 1sqa 1z6e 4crc 1eby \n29 2fvd 2v7a 4ogj 1nvq 3qgy 2brb 4eor 4ivd 2xnb 4ivc 3myg 4ivb \n30 4ivc 1nvq 4ivb 4ivc 4ogj 4ivd 2br1 4e5w 4f09 4e6q 2v7a 3ge7 \n31 4jia 1nvq 2br1 2v7a 3qgy 2wtv 4eor 3up2 4ogj 4ivc 4ivd 3myg \n32 1nvq 1nvq 2v7a 3qgy 4ivd 4ivc 3up2 4ivb 4eor 4e5w 2brb 2br1 \n33 2zcq 3ag9 3tsk 4gr0 3zso 2xbv 4w9l 1u1b 3b1m 3gnw 1g2k 5a7b \n34 3utu 3utu 1lpg 1k1i 2zda 3coz 2br1 4e5w 1u1b 3nw9 3ivg 2wbg \n35 2p4y 3ag9 1eby 3utu 4crc 3nw9 4x6p 4gid 1lpg 1u1b 3b1m 2vkm \n36 3myg 2v7a 3myg 2xnb 2br1 4eor 4ogj 2brb 4ivd 4kzu 1pxn 1nvq \n37 1sqa 3qgy 1o3f 1lpg 1sqa 1k1i 1z6e 3p5o 3ge7 1o0h 3utu 1owh \n38 3dd0 2cet 1o3f 4eky 3coy 3g2n 4f3c 3n86 4ivc 4gfm 3coz 1ydt \n39 2yki 2yki 3ge7 3rlr 1o3f 3utu 3ag9 1lpg 2xii 3uri 4crc 4gid \n40 3g0w 3zso 3qgy 1o3f 3b68 3g0w 4gr0 3b1m 4w9i 1h22 3arv 5dwr \n41 2al5 1u1b 3n76 3n86 3syr 1h22 4gkm 2wbg 1syi 1y6r 3ejr 1nc1 \n42 4de1 3ge7 4de2 4de3 3zso 1o3f 4w9i 1u1b 4qd6 3ejr 2xii 3coz \n43 3fv1 1u1b 3nw9 1nvq 3zso 4w9i 1yc1 3coy 3bgz 3ivg 3coz 4jxs \n44 2p15 3b1m 3gnw 3arp 3b68 3wz8 3b5r 1g2k 2p15 4cig 3zso 3bv9 \n45 1mq6 1k1i 1z6e 2br1 2xbv 3utu 1u1b 3ge7 4e6q 1sqa 3ag9 3gc5 \n46 4f3c 1o3f 1z6e 3ag9 1u1b 4f2w 1y6r 4eky 4f3c 4w9h 3coz 3ejr \n47 1o3f 1o3f 1sqa 1lpg 4crc 4x6p 3coz 1u1b 3ge7 1z6e 4e6q 1owh \n48 2vw5 4eor 2br1 4ivd 2yge 1yc1 2brb 3rlr 4ogj 3qgy 3ge7 1nvq \n49 3kr8 3kr8 4kzq 2xnb 4kzu 4j3l 3qgy 4eor 2v7a 3gc5 3ge7 4j21 \n50 2x00 3ag9 3zso 3b1m 1u1b 2yki 2x00 1z6e 2p4y 5dwr 3gnw 3b68 \n51 3nw9 3nw9 1u1b 3oe4 3ag9 3coz 1z6e 3coy 3ozs 1o3f 1lpg 2xbv \n52 3zso 3zso 4cig 3e93 4gr0 3zsx 3ag9 3uri 2wtv 1u1b 3zt2 2qbp \n53 2xb8 3ge7 3g2n 2cet 3kr8 4x6p 4eky 2xii 2xb8 4ivb 3gc5 3n86 \n54 4w9h 3arp 4gr0 1lpg 4gid 3b1m 3utu 3b68 4w9l 3arq 3fur 3tsk \n55 3uex 3b68 3tsk 4gr0 3b1m 1lpg 1o3f 3fur 4qac 3nw9 3zso 2v7a \n56 4gr0 3utu 3tsk 4gr0 3e93 3ag9 3o9i 3uri 4gid 3gnw 2xbv 1lpg \n57 1u1b 1u1b 3ag9 3zso 1eby 3gnw 3coy 4x6p 1z6e 4eor 3utu 4gid \n\n 12 13 14 15 16 17 18 19 20 21 22 23 \\\n1 2p4y 1lpg 2yki 3ag9 3rlr 3uri 3p5o 4jia 1eby 4ivd 5tmn 3nw9 \n2 1lpg 2qnq 3zso 3prs 1nvq 3gnw 3myg 4eor 4w9l 4tmn 2br1 4cra \n3 4kzu 2wer 3kr8 4ivd 4jia 4ogj 2fvd 1pxn 4ivb 3gc5 4kzq 1z6e \n4 1sqa 4ty7 3zso 3coz 3utu 3coy 1bzc 2y5h 1k1i 3ozs 3jvs 3b68 \n5 4f9w 4cig 4e5w 3arp 4eor 3b68 1k1i 3ebp 2p15 3bv9 3wz8 2yge \n6 4k18 2vw5 3coz 1o0h 3coy 3b68 3zso 4cig 5c2h 3oe4 1z6e 4w9l \n7 2p4y 5dwr 3p5o 3uo4 4jia 3coy 3e93 3ge7 4rfm 4k77 4e6q 4eor \n8 4dld 3zt2 3nw9 2p4y 3ivg 3jvr 1k1i 1o0h 3coy 4ogj 3b5r 4dli \n9 3nw9 2p4y 3uri 1sqa 3ag9 3coz 3tsk 3ozs 1k1i 4x6p 1u1b 1lpg \n10 3ebp 3zso 1u1b 3qgy 2vkm 1lpg 2br1 3b68 3b1m 4cig 4djv 1mq6 \n11 4f3c 1o3f 1nc1 4f2w 3rlr 1y6r 3gc5 4e6q 4ivb 4f09 3ejr 3d4z \n12 3dd0 1o0h 3ui7 3g2n 3coz 3uo4 2wtv 4x6p 2p4y 3utu 1sqa 2br1 \n13 3nx7 4eor 2yge 1sqa 1nc1 1y6r 1e66 2xj7 3arq 1o3f 4gkm 1z6e \n14 3bv9 3b1m 1u1b 3uri 4gr0 4x6p 1g2k 2p4y 3ozs 3zso 1eby 3o9i \n15 4ivb 1z6e 3o9i 4ogj 4j3l 1sqa 4jia 3e5a 4w9l 2xbv 1u1b 2vkm \n16 3b68 4cig 1k1i 3b1m 3nw9 2fxs 4ogj 2yge 3ui7 3bv9 1nvq 3gnw \n17 1ydt 4gid 1u1b 2vkm 3jvr 3b68 3f3a 3ivg 3qqs 3coz 2wbg 4gkm \n18 1y6r 3u5j 2xii 1o0h 3dd0 3syr 2fxs 4f3c 3ryj 3coz 4e5w 3rlr \n19 1g2k 1z6e 3tsk 3uri 3b1m 4x6p 4w9l 1lpg 3bv9 3ozs 3pww 3gnw \n20 3syr 1u1b 3l7b 3kr8 2y5h 4crc 3ge7 3gc5 4f09 1o0h 1yc1 4kzq \n21 2yge 1ydr 2qbq 1oyt 3p5o 4jia 3ejr 3rlr 3zso 3arq 4crc 5c2h \n22 4x6p 3ag9 3fur 3jvs 1eby 4w9l 3arp 4ogj 2xbv 3gnw 3b68 2yki \n23 2r9w 3jvr 3n86 3b65 3ag9 3b1m 3pxf 3b5r 3syr 4ogj 1o0h 3zsx \n24 3g2n 4ogj 2vw5 4jxs 3n76 3zso 4eky 3p5o 3bv9 2yki 3zsx 2wca \n25 2qbq 1q8u 3prs 1u1b 4ivc 4e5w 3ge7 4f09 4ivb 1lpg 3ivg 2xii \n26 1yc1 4e6q 2br1 4eor 2fxs 4kzq 3ge7 4hge 1q8u 4f09 3up2 1ydr \n27 3utu 2vkm 3zso 4cra 3prs 1sqa 1eby 1g2k 3oe4 3ag9 4crc 1ydt \n28 1lpg 4w9i 3gnw 4w9h 3zso 1oyt 2xbv 3coy 2vkm 4gid 2p4y 1o3f \n29 3uo4 4f09 3kr8 4e5w 1yc1 3up2 1pxn 2br1 2fxs 4jia 2fvd 4kzq \n30 3up2 4eor 1yc1 3ebp 3qgy 1ydr 4kzq 3gc5 4hge 4jia 1ydt 2brb \n31 3uo4 1yc1 4ivb 1pxn 2brb 3ge7 4e5w 4hge 4f09 4e6q 4kzq 2xnb \n32 4e6q 3ge7 4kzu 3kr8 3gc5 4f09 2wtv 1pxn 2fxs 4hge 3rlr 4ogj \n33 3utu 1eby 2v7a 4agp 3ozs 4crc 2zcr 3o9i 3pww 2wtv 4agq 1lpg \n34 1z6e 1oyt 1o3f 3coy 1o0h 3u5j 3rlr 2xii 4eor 3g2n 3ge7 1nc1 \n35 3uri 4cra 3o9i 4gr0 2p4y 1g2k 3gnw 4ty7 2qbp 3tsk 4cig 2yki \n36 4ivb 4ivc 3qgy 4hge 3kr8 2wtv 4kzq 3ge7 4f09 4e5w 4e6q 4rfm \n37 2zda 3ivg 3ag9 3gc5 1ydr 4x6p 2wer 4wiv 3kr8 4ivd 4m0y 4m0z \n38 3syr 3n76 3u5j 4wiv 3ivg 4f2w 3dd0 3nw9 3gc5 1yc1 1nc1 3ge7 \n39 2p4y 1owh 4eor 2qbq 3zso 3g2n 4cra 1sqa 1eby 3nw9 2zda 4e5w \n40 3utu 4eky 2yki 4cig 1u1b 5c2h 3bgz 3ebp 3bv9 3ag9 2yge 1h23 \n41 3l7b 3qqs 5dwr 3utu 2vw5 3nw9 3oe4 4k77 4ih5 4f3c 3lka 3ge7 \n42 2v7a 3kr8 2yki 3b68 2wca 1lpg 3arq 1bzc 4ogj 4cig 3zsx 4jia \n43 4f09 3zsx 4ivd 4dld 1o3f 3gc5 3oe5 4ivc 1h23 2qbr 3rlr 2wtv \n44 3ag9 3jvr 3fur 2yfe 2r9w 4eo8 3utu 1z95 5a7b 1k1i 3b65 3e92 \n45 2zda 3o9i 1mq6 2y5h 4ivc 2wbg 4m0y 1lpg 4ivb 3zso 1yc1 3oe4 \n46 1o0h 3arq 3nw9 1nc1 1ydr 4ivb 4ivc 1q8u 2yki 2zda 4ivd 2qbq \n47 1k1i 2cet 3ivg 4ivc 1q8u 2zda 2y5h 3d4z 3utu 3nw9 4f3c 2br1 \n48 4crc 3kr8 3nw9 3up2 3e5a 4jia 4w9l 3ag9 4ivb 3arq 2vw5 1z6e \n49 4rfm 4m0y 4eky 2br1 1o0h 4jia 4ogj 1u1b 3d6q 4k18 2c3i 2brb \n50 3fur 3tsk 4w9l 2p15 2yge 3uri 3bv9 4gr0 1g2k 3utu 2v7a 4cig \n51 2yki 3bv9 4crc 3e93 3pww 3utu 4cra 1o0h 1nc1 3arq 3fur 2qbp \n52 2yki 4gid 3qgy 3tsk 3bv9 1h23 2zb1 3b1m 3e92 4cra 2zcr 5tmn \n53 4kzq 4kzu 3n76 3rlr 4ivd 3u5j 2wbg 1z6e 4ivc 4wiv 3nw9 4ogj \n54 1u1b 4agp 2xbv 3ag9 5a7b 4qac 1mq6 3k5v 3zso 3jvs 3wz8 4crc \n55 3coy 3arq 5dwr 4agp 5a7b 3ag9 3b5r 4w9l 4agq 3gnw 3b65 2zcr \n56 4w9l 1z6e 2yki 4crc 2v7a 2vkm 3prs 1eby 3pww 3b1m 4cra 2p4y \n57 3nw9 4gr0 3b1m 3tsk 3arp 2p4y 3bv9 4crc 4ty7 3qgy 3uri 2vkm \n\n 24 25 26 27 28 29 \n1 3jvs 1sqa 3myg 1o0h 1z6e 3gnw \n2 3nw9 4crc 3bv9 3utu 1u1b 2v7a \n3 4qd6 4twp 3up2 4w9c 3p5o 3oe4 \n4 4w9i 4f3c 3bv9 4e6q 2p4y 4e5w \n5 4e6q 3ge7 4agq 1oyt 2x00 3zso \n6 1mq6 3cj4 1o3f 4cra 3fur 4tmn \n7 3ebp 2fvd 2xii 3coz 1nvq 1o3f \n8 2yge 3ebp 4cig 3g0w 4hge 2vkm \n9 4crc 3coy 3ivg 3utu 4rfm 4w9l \n10 4gid 5dwr 4m0z 3rlr 4w9l 3bv9 \n11 3ge7 1nvq 3qgy 4j3l 4ivc 4gfm \n12 4eor 3qgy 3arq 4gfm 3u5j 3n76 \n13 3cj4 4f2w 4j28 3b65 4m0z 3bv9 \n14 4eor 3ivg 4ty7 3prs 4crc 3gnw \n15 3arq 2p4y 2y5h 4f09 4e5w 3bv9 \n16 2vw5 5dwr 3g0w 3utu 5c2h 3wz8 \n17 3aru 4agq 3uex 1syi 2fxs 2p15 \n18 1u1b 4gfm 1o3f 1ydr 4w9l 1k1i \n19 2wtv 1nvq 3o9i 4cra 3e5a 2xbv \n20 4e5w 1r5y 4gkm 1s38 3qqs 4ogj \n21 4f09 2wbg 1z6e 2fxs 3bgz 4f3c \n22 2p4y 3ozs 3uri 3bv9 3ivg 4jia \n23 4ih5 3coy 1yc1 2x00 3cj4 1mq6 \n24 2yge 3qgy 5dwr 3b68 1k1i 2p4y \n25 2xbv 3pww 3tsk 1sqa 4w9i 3e93 \n26 3coz 3nw9 3uri 1u1b 3utu 2xnb \n27 4w9h 4eor 3u5j 4x6p 3coy 4w9l \n28 4w9l 3o9i 3jvs 3fur 1g2k 1k1i \n29 4crc 4e6q 3ebp 3gc5 4kzu 3e5a \n30 2fxs 3coz 1o0h 3bgz 4f3c 1nc1 \n31 2c3i 3kr8 4rfm 1ydt 3ebp 1u1b \n32 1yc1 4k18 2c3i 2xnb 3coz 4rfm \n33 2p15 3e93 3prs 4cig 3bv9 4gid \n34 3syr 4gid 1sqa 4ivd 2p4y 2brb \n35 2zda 4w9l 3coy 3ivg 2xbv 3fur \n36 1yc1 3ag9 4j21 3gc5 3coy 4j3l \n37 2p4y 2br1 3n86 5dwr 3ebp 1u1b \n38 3p5o 3ryj 4e5w 2wbg 4ivb 2fxs \n39 2cet 1u1b 3tsk 3o9i 4j3l 3up2 \n40 3arp 2p4y 4k18 3arq 4dli 4w9l \n41 1o0h 4ciw 4w9i 3ui7 3gbb 3g2n \n42 3zt2 3up2 1sqa 3n86 3n76 2wtv \n43 3n76 2cet 5tmn 3fv1 3fv2 3zt2 \n44 2vkm 3arq 3k5v 3nw9 2x00 1z6e \n45 3nw9 3e5a 4j3l 4ivd 3myg 4crc \n46 3bv9 3zsx 4m0y 2cet 3b68 1mq6 \n47 4kzq 4j3l 3rlr 1o0h 1ydr 1o5b \n48 4kzu 1u1b 3myg 1o0h 1k1i 1mq6 \n49 3myg 2cet 1nvq 2xb8 3ebp 2xii \n50 1lpg 3arq 2wtv 1mq6 3arp 3e92 \n51 2zda 3ozt 1q8u 4k77 3uri 3b68 \n52 1g2k 2p4y 4ogj 2qbq 3utu 1eby \n53 4f2w 3ui7 3syr 4j21 1q8u 3ejr \n54 4w9c 3coy 3bv9 3ozs 2x00 3nw9 \n55 1sqa 3coz 2zda 3ivg 3k5v 2p4y \n56 1g2k 3arp 2qbp 3nw9 4w9h 3ozs \n57 3e93 3ebp 3ozs 1nvq 3coz 4ogj \n\nSummary of the forward screening power: =========================================================\nAverage enrichment factor among top 1% = 12.28\nAverage enrichment factor among top 5% = 6.33\nAverage enrichment factor among top 10% = 4.29\nThe best ligand is found among top 1% candidates for 20 cluster(s); success rate = 35.1%\nThe best ligand is found among top 5% candidates for 36 cluster(s); success rate = 63.2%\nThe best ligand is found among top 10% candidates for 44 cluster(s); success rate = 77.2%\n================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Forward_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Forward_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_5A/ReverseScreeningPower_DeepDock_5A.out", "content": " code 1 2 3 4 5 6\n1 4llx 3kr8 1sqa 4pcs 3ejr 4tmn 4jia\n2 5c28 3kr8 1mq6 4jia 4ivc 3nw9 1sqa\n3 3uuo 3kr8 4jia 2fvd 1nvq 3ebp 3myg\n4 3ui7 4jia 3kr8 1nvq 2xb8 4ivc 2fvd\n5 5c2h 5c2h 1nvq 4twp 4ivc 3ge7 4tmn\n6 2v00 4f3c 3g0w 2xb8 4gr0 2yki 3u8n\n7 3wz8 5c2h 2p15 4gid 2p4y 3e93 4tmn\n8 3pww 3o9i 4tmn 4gid 3nw9 5c2h 3uri\n9 3prs 3o9i 4gid 5c2h 4tmn 3coy 3e93\n10 3uri 3uri 4gid 3o9i 2yki 3ag9 4gr0\n11 4m0z 4ivc 3kr8 3ge7 2yki 1nvq 1mq6\n12 4m0y 3kr8 4ivc 4jia 1mq6 4f3c 3ge7\n13 3qgy 4jia 2fvd 1nvq 3kr8 4rfm 4twp\n14 4qd6 4jia 1nvq 4gid 4rfm 3myg 4tmn\n15 4rfm 4rfm 3kr8 4jia 4tmn 1nvq 3myg\n16 4cr9 4jia 3kr8 4ivc 3myg 3utu 4twp\n17 4cra 3e93 3o9i 2yki 2p4y 4gid 4ty7\n18 4x6p 3ag9 3ge7 2p4y 4gid 3e93 4ty7\n19 4crc 3ag9 2qbp 3e93 2p4y 2fvd 2yki\n20 4ty7 2p4y 3o9i 3coy 4ty7 3e93 4tmn\n21 5aba 2p15 4f3c 3utu 3nw9 3coy 5c2h\n22 5a7b 2p4y 2zcq 2p15 4gid 3e93 3uex\n23 4agn 1nvq 3kr8 2p15 2fvd 3ge7 4agq\n24 4agp 2zcq 5c2h 4gid 2p4y 3uex 3kr8\n25 4agq 2zcq 3kr8 3e93 5c2h 4gid 3uex\n26 3bgz 4ivc 3ge7 1nvq 4jia 4f3c 2fvd\n27 3jya 3ge7 4ivc 4f3c 2xb8 3kr8 4jia\n28 2c3i 4jia 3kr8 1nvq 4twp 2fvd 3ag9\n29 4k18 3kr8 1nvq 4ivc 2fvd 4jia 3ge7\n30 5dwr 5dwr 4jia 4twp 2fvd 4tmn 3ag9\n31 3mss 4gid 3ge7 3e93 4f3c 3uex 2yki\n32 3k5v 2p4y 3nw9 3coy 2p15 4gid 3e93\n33 3pyy 4ivc 3u8n 3g0w 3kr8 2p15 2xb8\n34 2v7a 4jia 2fvd 4twp 3myg 1nvq 4ivc\n35 4twp 4twp 1nvq 3kr8 4ivc 3myg 4f3c\n36 3wtj 1mq6 4f3c 3nw9 1sqa 4ivc 3utu\n37 3zdg 4f3c 3u8n 3ge7 3kr8 2vvn 3utu\n38 3u8k 2vvn 4f3c 3kr8 2xb8 4ivc 3g0w\n39 4qac 3uex 3coy 3e93 2p15 2zcq 3nw9\n40 3u8n 3u8n 4gid 3g0w 1e66 3ebp 2xb8\n41 1a30 3kr8 4f3c 1nvq 2xb8 2yki 4tmn\n42 2qnq 3o9i 4gid 3nw9 3coy 3uri 3kr8\n43 1g2k 4gid 3o9i 3uri 2p4y 3coy 4tmn\n44 1eby 3o9i 2p4y 4gid 3coy 3uri 3e93\n45 3o9i 3o9i 3e93 3kr8 1mq6 4gr0 3uri\n46 4lzs 4jia 4f3c 4ivc 1nvq 3utu 3ag9\n47 3u5j 3utu 3kr8 4tmn 2xb8 4pcs 2cet\n48 4wiv 4ivc 3o9i 2yki 4jia 3nw9 3ejr\n49 4ogj 4ivc 2fvd 4jia 3myg 3ag9 4twp\n50 3p5o 3ge7 1sqa 4twp 3p5o 5c2h 1mq6\n51 1ps3 3kr8 3ejr 4ivc 2cet 3ag9 2xb8\n52 3dx1 3ejr 2cet 4pcs 3utu 2qbp 3ge7\n53 3d4z 3kr8 3ejr 1o3f 4pcs 2yki 2cet\n54 3dx2 3kr8 3ejr 2cet 3utu 4pcs 4tmn\n55 3ejr 4f3c 3ge7 3kr8 2yki 4ivc 2cet\n56 3l7b 4jia 4pcs 3utu 3kr8 4ty7 2cet\n57 4eky 3kr8 4f3c 4pcs 2qbp 2xb8 3ge7\n58 3g2n 2yki 2xb8 3utu 4pcs 2cet 3ag9\n59 3syr 3utu 3ejr 2xb8 1mq6 2yki 3kr8\n60 3ebp 4ivc 4jia 2fvd 3kr8 1nvq 3myg\n61 2w66 2vvn 3u8n 1e66 4f3c 2xb8 3g0w\n62 2w4x 3kr8 4f3c 2xb8 3u8n 2vvn 4tmn\n63 2wca 4f3c 2fvd 1nvq 4ivc 3kr8 4tmn\n64 2xj7 4f3c 2vvn 3utu 3kr8 3ge7 1mq6\n65 2vvn 2vvn 3ge7 4tmn 4twp 3kr8 2xb8\n66 3aru 3kr8 3ge7 3nw9 3g0w 4ivc 1e66\n67 3arv 3g0w 2p15 1nvq 2yki 2p4y 3e93\n68 3ary 3kr8 3nw9 2xb8 3g0w 4ivc 3ge7\n69 3arq 4f3c 3ge7 3nw9 2yki 1mq6 3kr8\n70 3arp 3e93 4gid 3o9i 2p15 3nw9 4gr0\n71 4ih5 3kr8 4ivc 3utu 3ge7 4f3c 2xb8\n72 4ih7 2fvd 3u8n 4tmn 3fv1 1nvq 4f3c\n73 3cj4 4f3c 3u8n 4ivc 4jia 3ge7 1nvq\n74 4eo8 2p15 2fvd 2p4y 3coy 3nw9 4gid\n75 3gnw 3coy 4gid 3e93 4gr0 3o9i 2p4y\n76 1gpk 4f3c 3kr8 4ivc 3fv1 2xb8 3e93\n77 1gpn 3kr8 4f3c 4ivc 3o9i 3fv1 2fvd\n78 1h23 4ivc 2yki 3e93 4f3c 4gr0 2qbp\n79 1h22 2yki 3g0w 4gr0 4gid 3e93 3ge7\n80 1e66 3kr8 3myg 2yki 2vw5 1mq6 1sqa\n81 3f3a 3u8n 4tmn 3fv1 3kr8 2vvn 2xb8\n82 3f3c 4tmn 3kr8 3u8n 3fv1 2fvd 3ejr\n83 4mme 2vvn 2p15 4f3c 3u8n 3g0w 3nw9\n84 3f3d 4pcs 3ejr 2vvn 4tmn 2cet 3fv1\n85 3f3e 3kr8 2cet 3ejr 4tmn 4pcs 3dd0\n86 2wbg 3utu 1mq6 3ejr 3ge7 2cet 3kr8\n87 2cbv 4pcs 3ejr 3utu 2cet 3dd0 3kr8\n88 2j78 3kr8 3ejr 2cet 4pcs 3utu 3ge7\n89 2j7h 3kr8 3ejr 2cet 4pcs 3utu 1o3f\n90 2cet 3kr8 3ejr 2xb8 2yki 3dd0 4f3c\n91 3udh 3u8n 2p15 3coy 4f3c 4gid 3g0w\n92 3rsx 3kr8 3ge7 4ivc 3g0w 2xb8 1nvq\n93 4djv 3o9i 2yki 4f3c 3ge7 3nw9 4jia\n94 2vkm 4gid 3o9i 3uri 2p4y 4tmn 3coy\n95 4gid 4gid 3o9i 2p4y 2yki 3uri 4tmn\n96 4jfs 2xb8 3g0w 4f3c 2vvn 3u8n 2p15\n97 4j28 3kr8 2vvn 4f3c 4tmn 2xb8 3fv1\n98 2wvt 3kr8 4pcs 3utu 4tmn 2yki 3ejr\n99 2xii 3kr8 2yki 3utu 2xb8 4twp 3nw9\n100 4pcs 2xb8 4f3c 3kr8 2fvd 4ivc 3g0w\n101 3rr4 4jia 3kr8 3myg 1mq6 1nvq 4ivc\n102 1s38 3utu 4ivc 1mq6 4jia 3kr8 1sqa\n103 1r5y 3kr8 3ge7 4jia 4ivc 1mq6 2yki\n104 3gc5 3ge7 3kr8 4ivc 1nvq 2fvd 4jia\n105 3ge7 3ge7 4jia 4ivc 3kr8 1nvq 2yki\n106 4dli 4f3c 3kr8 3ge7 3g0w 2xb8 3u8n\n107 2zb1 3e93 4f3c 4twp 3o9i 3nw9 4gid\n108 4f9w 4jia 2fvd 3kr8 3ge7 2xb8 4agq\n109 3e92 4f3c 2yki 3e93 3ge7 4gid 2p15\n110 3e93 3e93 4gr0 3nw9 5c2h 4gid 4twp\n111 4owm 3ejr 3kr8 4tmn 2cet 3ag9 3utu\n112 3twp 3kr8 3ejr 3utu 1o3f 4tmn 3dd0\n113 3r88 4ivc 3fv1 4f3c 2xb8 4tmn 3kr8\n114 4gkm 3kr8 2xb8 2yki 4f3c 3ejr 4jia\n115 3qqs 3kr8 3ejr 4pcs 4tmn 2xb8 4ivc\n116 3gv9 3kr8 4ivc 2xb8 3ejr 1o3f 1mq6\n117 3gr2 3u8n 3g0w 3qqs 1e66 2yki 2vvn\n118 4kz6 2xb8 3ejr 4f3c 3kr8 3u8n 4tmn\n119 4jxs 3kr8 4f3c 2xb8 4ivc 3g0w 3fv1\n120 2r9w 2p15 3e93 2p4y 2fvd 3coy 3g0w\n121 2hb1 4jia 3utu 1o3f 3kr8 2yki 4pcs\n122 1bzc 2yki 3e93 4ty7 3kr8 4ivc 2qbp\n123 2qbr 2yki 2qbp 3utu 3o9i 1mq6 2fvd\n124 2qbq 3ge7 4ivc 2yki 3o9i 4f3c 2qbp\n125 2qbp 1nvq 2qbp 3ag9 3nw9 3e93 3o9i\n126 1q8t 3ge7 3utu 4ivc 3nw9 4twp 4jia\n127 1ydr 4ivc 3ge7 3ag9 1nvq 4f3c 1sqa\n128 1q8u 4jia 3ag9 1nvq 4f3c 3ejr 2fvd\n129 1ydt 4jia 4ivc 3ejr 2fvd 1nvq 4tmn\n130 3ag9 3ag9 2p4y 3nw9 3coy 4gid 4f3c\n131 3fcq 4tmn 3u8n 2xb8 3qqs 3e93 3ejr\n132 1z9g 3fv1 3e93 2fvd 3kr8 4tmn 4f3c\n133 1qf1 4tmn 3e93 3u8n 4gid 3coy 3kr8\n134 5tmn 5c2h 4tmn 4gid 3kr8 2vw5 1mq6\n135 4tmn 4tmn 3coy 4gid 3o9i 3uri 2yki\n136 4ddk 3u8n 2al5 3ejr 3dd0 2xb8 4f3c\n137 4ddh 3u8n 3qqs 2xb8 3g0w 3e93 3fv1\n138 3ivg 3utu 3coy 3o9i 3ge7 4ivc 3e93\n139 3coz 3utu 3nw9 4ivc 4jia 3ge7 1nvq\n140 3coy 3nw9 4jia 4ivc 3utu 3o9i 3myg\n141 3pxf 2xb8 4ivc 3g0w 3u8n 4gid 1nvq\n142 4eor 4jia 2fvd 3myg 1nvq 4ivc 3kr8\n143 2xnb 3kr8 3myg 2fvd 4jia 4twp 1nvq\n144 1pxn 4jia 3myg 4twp 2fvd 1nvq 3kr8\n145 2fvd 2fvd 1nvq 3kr8 4rfm 4twp 4tmn\n146 4k77 4ivc 4jia 3ge7 1nvq 2fvd 3nw9\n147 4e5w 4ivc 1nvq 4jia 3ag9 2fvd 3ge7\n148 4ivb 4ivc 1nvq 4jia 2fvd 3ag9 3myg\n149 4ivd 4ivc 4jia 1nvq 2fvd 3ge7 3myg\n150 4ivc 4ivc 4jia 1nvq 2fvd 3ge7 3ag9\n151 4f09 4ivc 4jia 2fvd 1nvq 3myg 3ag9\n152 4gfm 4ivc 3nw9 3utu 3dd0 4f3c 3ejr\n153 4hge 4jia 4rfm 3myg 4ivc 1nvq 3ag9\n154 4e6q 4ivc 4jia 1nvq 3ge7 3ag9 2fvd\n155 4jia 4ivc 2fvd 3kr8 4jia 1nvq 4tmn\n156 2brb 2fvd 3myg 4jia 4rfm 1nvq 3ag9\n157 2br1 4jia 4ivc 3myg 1nvq 4rfm 1mq6\n158 3jvr 2p15 3e93 4f3c 3u8n 4gid 2p4y\n159 3jvs 3e93 3coy 3kr8 3o9i 4tmn 5c2h\n160 1nvq 4jia 1nvq 4ivc 2fvd 3ag9 3myg\n161 3acw 2p15 4gid 3coy 2p4y 2zcq 3e93\n162 4ea2 3coy 4tmn 3o9i 2p15 2p4y 3ge7\n163 2zcr 2zcq 4gr0 3uex 3coy 3e93 4gid\n164 2zy1 4f3c 3nw9 3utu 2yki 3g0w 3uex\n165 2zcq 4gid 2zcq 2yki 2p15 3uex 3coy\n166 1bcu 3u8n 3g0w 4f3c 2p15 4gid 1e66\n167 3bv9 4gid 3nw9 3e93 4f3c 3o9i 2yki\n168 1oyt 3utu 3ge7 3coy 2yki 3o9i 4f3c\n169 2zda 3utu 1mq6 2yki 4f3c 3nw9 1sqa\n170 3utu 3utu 4gid 3e93 2p4y 1mq6 3coy\n171 3u9q 3u8n 3g0w 1e66 2xb8 4f3c 3kr8\n172 2yfe 2p15 2p4y 4gid 3coy 2zcq 3g0w\n173 3fur 3e93 3coy 3nw9 3ge7 3kr8 2p4y\n174 3b1m 3e93 4gid 3coy 2p15 2p4y 2yki\n175 2p4y 4gid 3o9i 2yki 3e93 4ivc 4twp\n176 3uo4 4jia 2fvd 1nvq 3ag9 4twp 4gid\n177 3up2 4jia 1nvq 4ivc 2fvd 3ag9 4twp\n178 3e5a 4jia 2fvd 4gid 1mq6 2vw5 3e93\n179 2wtv 4jia 3myg 1nvq 2fvd 4twp 4gid\n180 3myg 3myg 4jia 4rfm 2fvd 3kr8 1nvq\n181 3kgp 3u8n 3kr8 3utu 3ejr 1o3f 4f3c\n182 1c5z 3utu 1sqa 1mq6 1o3f 3kr8 4jia\n183 1o5b 4ivc 1o3f 1sqa 3utu 3kr8 4f3c\n184 1owh 2yki 1sqa 3o9i 1o3f 3coy 3nw9\n185 1sqa 3o9i 1sqa 3coy 1mq6 2yki 1o3f\n186 4jsz 1sqa 3utu 3ejr 3dd0 1mq6 3kr8\n187 3kwa 4f3c 2xb8 2al5 3fv1 3u8n 3g0w\n188 2weg 3kr8 4pcs 1mq6 3ejr 3utu 1nvq\n189 3ryj 3nw9 2yki 3ge7 3kr8 4ivc 2cet\n190 3dd0 4ivc 3ge7 3nw9 2cet 3dd0 2xb8\n191 2xdl 3u8n 3qqs 4f3c 3g0w 2p15 1e66\n192 3b27 4ivc 2fvd 3kr8 4twp 3ge7 2vw5\n193 1yc1 4jia 4ivc 2fvd 3ag9 1nvq 2vw5\n194 3rlr 1nvq 2yki 2vw5 3utu 3ge7 4ivc\n195 2yki 2yki 3nw9 3e93 4f3c 5c2h 1nvq\n196 1z95 3e93 2p15 2p4y 5c2h 4f3c 5dwr\n197 3b68 3e93 4f3c 2yki 3o9i 3nw9 2p15\n198 3b5r 2p15 3e93 4f3c 3uex 4gid 5c2h\n199 3b65 3e93 2p15 4gid 3uex 3coy 4f3c\n200 3g0w 3ge7 3g0w 3nw9 4ivc 3u8n 1e66\n201 4u4s 3u8n 2p15 3ebp 1e66 4agq 1nvq\n202 1p1q 4tmn 3ejr 3kr8 3fv1 3utu 3dd0\n203 1syi 3fv1 3kr8 2al5 2xb8 2cet 4tmn\n204 1p1n 2qbp 3kr8 2yki 3ejr 2xb8 3fv1\n205 2al5 3utu 3fv1 3kr8 4ivc 3ge7 3ejr\n206 3g2z 3u8n 3kr8 3utu 3dd0 4pcs 4f3c\n207 3g31 2yki 3g0w 3u8n 3fv1 4f3c 2xb8\n208 4de2 3ge7 3kr8 4ivc 3myg 4f3c 2yki\n209 4de3 3ge7 4f3c 2yki 1nvq 4ivc 3kr8\n210 4de1 3nw9 2yki 3ge7 4ivc 3utu 4ty7\n211 1vso 3kr8 2xb8 3fv1 3u8n 3ge7 4jia\n212 4dld 4ivc 4jia 3u8n 2fvd 2vw5 3ejr\n213 3gbb 3fv1 4f3c 2xb8 2qbp 2al5 3dd0\n214 3fv2 3fv1 4f3c 3kr8 2cet 2xb8 3ge7\n215 3fv1 3fv1 4f3c 4ivc 2qbp 2xb8 3kr8\n216 4mgd 4f3c 4jia 3g0w 1nvq 1e66 2fvd\n217 2qe4 1nvq 3ge7 2yki 4f3c 4ivc 3nw9\n218 1qkt 3g0w 3ge7 4ivc 3utu 3u8n 1nvq\n219 2pog 3nw9 4ivc 2yki 4jia 3ag9 4f3c\n220 2p15 4gid 2p15 4f3c 3nw9 2zcq 4ivc\n221 2y5h 1mq6 3o9i 4f3c 3utu 3nw9 3ge7\n222 1lpg 3utu 1sqa 3arp 2yki 4gid 3nw9\n223 2xbv 1mq6 3nw9 3e93 3coy 4gid 4gr0\n224 1z6e 1mq6 4f3c 3e93 3nw9 4gid 3o9i\n225 1mq6 1nvq 1mq6 4jia 4f3c 2fvd 4gid\n226 1nc3 3nw9 3g0w 3u8n 4f3c 2cet 3ebp\n227 1nc1 4ivc 4jia 4f3c 3ag9 3utu 3kr8\n228 1y6r 4f3c 4ivc 4jia 2fvd 3utu 3ejr\n229 4f2w 4f3c 4ivc 4jia 3kr8 3ag9 1nvq\n230 4f3c 4ivc 4f3c 3ge7 4jia 1nvq 3ejr\n231 1uto 3utu 3ejr 1sqa 4ivc 2al5 3kr8\n232 4abg 1sqa 3utu 3kr8 2xb8 4f3c 1mq6\n233 3gy4 3utu 1sqa 1o3f 1mq6 3ejr 3kr8\n234 1k1i 3utu 1mq6 1sqa 3o9i 2yki 3coy\n235 1o3f 1o3f 4f3c 3ge7 1sqa 2yki 4ivc\n236 2yge 3ge7 2vw5 1nvq 3kr8 5dwr 3utu\n237 2fxs 2fvd 1nvq 3ag9 4jia 4ivc 3ge7\n238 2iwx 3kr8 4jia 1nvq 4ivc 2yki 2vw5\n239 2wer 3kr8 4rfm 2yki 4ivc 3ag9 1sqa\n240 2vw5 4ivc 2vw5 3ge7 3kr8 4jia 4f3c\n241 4kzq 3kr8 4jia 4ivc 3myg 2fvd 3ag9\n242 4kzu 3kr8 3myg 1nvq 4jia 2fvd 4rfm\n243 4j21 3kr8 3myg 4ivc 3ag9 2xb8 1mq6\n244 4j3l 3kr8 4ivc 3myg 2yki 1mq6 3ge7\n245 3kr8 3kr8 2fvd 1nvq 3myg 4jia 4rfm\n246 2ymd 3utu 4f3c 1sqa 1mq6 4jia 4ivc\n247 2wnc 3kr8 4f3c 3g0w 2xb8 3nw9 2p15\n248 2xys 4f3c 2p15 3u8n 3g0w 3ge7 2yki\n249 2wn9 3g0w 2p15 3u8n 1e66 4f3c 4gid\n250 2x00 2p4y 4gr0 2p15 3coy 2x00 4f3c\n251 3ozt 3nw9 2yki 4gid 3ag9 3e93 3kr8\n252 3ozs 3nw9 3o9i 4gid 3e93 3kr8 3coy\n253 3oe5 3kr8 4jia 4gid 2yki 3ag9 3e93\n254 3oe4 3nw9 2yki 1mq6 3e93 4tmn 3o9i\n255 3nw9 3nw9 4gid 3coy 3e93 2p4y 3utu\n256 3ao4 3nw9 3u8n 4f3c 3kr8 3utu 3ge7\n257 3zt2 4ivc 3u8n 3g0w 1nvq 3zso 2xb8\n258 3zsx 4f3c 3kr8 2yki 4gid 3e93 3utu\n259 4cig 2p4y 3e93 4f3c 2p15 3coy 3arp\n260 3zso 3e93 4gid 2yki 3ge7 3coy 4tmn\n261 3n7a 3kr8 4tmn 3ejr 2xb8 2yki 3nw9\n262 4ciw 3utu 3kr8 3ge7 4ivc 2xb8 2cet\n263 3n86 2xb8 2yki 3dd0 2cet 3ge7 1sqa\n264 3n76 3ge7 2xb8 3kr8 4ivc 3dd0 2yki\n265 2xb8 3kr8 2xb8 2yki 4tmn 3nw9 1sqa\n266 4bkt 3kr8 3ejr 3ge7 2qbp 2cet 4jia\n267 4w9c 4jia 3utu 4rfm 3o9i 1nvq 2fvd\n268 4w9l 4gid 3e93 3o9i 3coy 4jia 3ge7\n269 4w9i 4tmn 3coy 3o9i 2yki 4gid 3kr8\n270 4w9h 4f3c 1nvq 3coy 4tmn 3o9i 4jia\n271 3nq9 3u8n 2vvn 3qqs 2xb8 3fv1 4f3c\n272 3ueu 3kr8 3uex 2yki 3g0w 3u8n 2xb8\n273 3uev 3u8n 4gid 3uex 2yki 2xb8 4f3c\n274 3uew 1e66 3e93 2yki 3uex 2xb8 2zcq\n275 3uex 2yki 3e93 4gid 3uex 3kr8 2zcq\n276 3lka 1sqa 3dd0 1mq6 3nw9 3utu 4pcs\n277 3ehy 3u8n 2vvn 4f3c 3kr8 2xb8 3utu\n278 3tsk 3e93 4gid 4gr0 3o9i 2zcq 2yki\n279 3nx7 4f3c 3kr8 2vvn 4jia 3utu 1mq6\n280 4gr0 4gid 4gr0 2zcq 2p4y 3e93 3uri\n281 3dxg 3kr8 4ivc 2vw5 4f3c 2fvd 2yki\n282 3d6q 3kr8 1nvq 2fvd 4f3c 2xb8 4ivc\n283 1w4o 3kr8 4f3c 2fvd 3ge7 1nvq 4jia\n284 1o0h 3kr8 4jia 4ivc 3utu 4f3c 3ag9\n285 1u1b 3nw9 3e93 4gid 4f3c 4jia 3utu\n\nSummary of the reverse screening power: =========================================================\nThe best target is found among top 1% candidates for 58 ligand(s); success rate = 20.4%\nThe best target is found among top 5% candidates for 104 ligand(s); success rate = 36.5%\nThe best target is found among top 10% candidates for 137 ligand(s); success rate = 48.1%\n=================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Reverse_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Reverse_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_7A/ForwardScreeningPower_DeepDock_7A.out", "content": " Target 1 2 3 4 5 6 7 8 9 10 11 \\\n1 5c2h 3uri 3ag9 3pww 3prs 1u1b 1eby 2vkm 3utu 4gid 3bv9 1nvq \n2 3uri 3uri 3ag9 1eby 3prs 2vkm 1u1b 3pww 4gid 3bv9 3utu 4gr0 \n3 4rfm 1nvq 3uri 1u1b 3prs 2v7a 3ag9 3pww 3gnw 4rfm 1eby 3qgy \n4 4ty7 3uri 3ag9 3pww 1u1b 4x6p 3utu 1eby 3bv9 1lpg 4crc 1g2k \n5 4agq 3uri 3ag9 1eby 1u1b 3prs 1g2k 3bv9 3gnw 4gid 3utu 3pww \n6 5dwr 3uri 3ag9 1u1b 3pww 1eby 1nvq 1g2k 3prs 3utu 3bv9 3o9i \n7 4twp 3uri 2v7a 3ag9 3pww 3bv9 3prs 1u1b 2vkm 1eby 4w9l 4gid \n8 3u8n 3ag9 3uri 1u1b 3pww 3utu 1eby 3prs 1g2k 3bv9 3o9i 3zso \n9 3o9i 3ag9 3uri 3o9i 3prs 1u1b 3pww 1eby 4gid 2qnq 3utu 2vkm \n10 3p5o 3ag9 3uri 1u1b 3utu 3prs 1eby 3gnw 3pww 3o9i 3bv9 2qnq \n11 3ejr 1eby 3uri 3ag9 3utu 1u1b 3bv9 1nvq 3pww 3zso 3gnw 3prs \n12 3ebp 3uri 3ag9 1u1b 3prs 3bv9 1eby 3pww 3utu 1g2k 3o9i 3gnw \n13 2vvn 3pww 1u1b 3uri 3ag9 4x6p 3gnw 2yge 4w9l 1eby 3bv9 2qnq \n14 3arp 3uri 3ag9 1u1b 3utu 3pww 1eby 3prs 2vkm 3bv9 4gid 4gr0 \n15 3gnw 3uri 3ag9 3prs 3pww 1u1b 1eby 1g2k 3utu 4gid 3bv9 2vkm \n16 1e66 3uri 3ag9 1u1b 3bv9 3pww 1eby 3gnw 3prs 1g2k 3utu 2vkm \n17 3f3e 3uri 3ag9 1u1b 1eby 3utu 3bv9 4gid 3prs 2vkm 3o9i 3pww \n18 2cet 3uri 3ag9 3prs 3pww 1eby 1u1b 3utu 4x6p 3bv9 4w9l 4gid \n19 4gid 3uri 3ag9 4gid 2vkm 1u1b 1eby 3pww 3prs 3bv9 4gr0 3utu \n20 4pcs 3uri 1u1b 1eby 3utu 3ag9 4crc 1g2k 2y5h 3arq 3prs 3pww \n21 3ge7 3ag9 3uri 1eby 1u1b 3utu 4ogj 4x6p 3pww 4gid 3o9i 3prs \n22 3e93 3uri 3ag9 1u1b 3utu 3prs 1eby 2vkm 3pww 3bv9 1g2k 4gid \n23 3qqs 3ag9 3uri 1eby 3prs 3utu 3bv9 3pww 1u1b 3gnw 1g2k 4gid \n24 2r9w 3uri 3ag9 1u1b 3utu 3bv9 3pww 1eby 3prs 3gnw 3o9i 2vkm \n25 2qbp 3uri 3ag9 3prs 3pww 1u1b 4crc 1eby 3utu 4x6p 3tsk 3bv9 \n26 3ag9 3ag9 3uri 1nvq 1u1b 4crc 1eby 3pww 3utu 4x6p 3prs 3bv9 \n27 4tmn 3uri 3ag9 3pww 1u1b 1eby 3prs 2vkm 3utu 4gid 3bv9 3o9i \n28 3coy 3ag9 3uri 3prs 1eby 1u1b 1g2k 3pww 3bv9 3gnw 3utu 4gid \n29 2fvd 1nvq 4ogj 2v7a 3uri 3ag9 1eby 1u1b 3prs 3pww 3qgy 1g2k \n30 4ivc 1nvq 3ag9 4ogj 3uri 3prs 1eby 3o9i 1u1b 4ivd 4gid 4ivb \n31 4jia 1nvq 3ag9 3uri 4ogj 2wtv 2v7a 1eby 3pww 2br1 3qgy 1u1b \n32 1nvq 1nvq 3ag9 3uri 1u1b 1eby 2v7a 4gid 4ivd 4e5w 1lpg 3utu \n33 2zcq 3ag9 3uri 3pww 1u1b 1eby 3prs 2vkm 3utu 3bv9 4gid 1g2k \n34 3utu 3utu 3ag9 3uri 1u1b 1lpg 1k1i 1eby 4gid 3pww 2qnq 3bv9 \n35 2p4y 3uri 3ag9 1eby 1u1b 3pww 3prs 3utu 3bv9 3o9i 4gid 2vkm \n36 3myg 3uri 3ag9 2v7a 1nvq 4ogj 1eby 1u1b 3myg 3pww 2br1 3prs \n37 1sqa 3ag9 3uri 1eby 3utu 1lpg 1u1b 3pww 3o9i 3gnw 4x6p 1k1i \n38 3dd0 3uri 3ag9 1eby 3utu 3pww 1u1b 3zso 3o9i 2yge 1g2k 2qnq \n39 2yki 3uri 3ag9 3prs 1u1b 3pww 3utu 1eby 3o9i 3bv9 4gr0 4gid \n40 3g0w 3uri 3bv9 1u1b 3gnw 3utu 3ag9 1eby 3prs 3zso 1nvq 3o9i \n41 2al5 1u1b 3uri 3utu 3prs 3pww 3ag9 3zso 4ogj 3zsx 3o9i 3bv9 \n42 4de1 3uri 3prs 3ag9 3pww 4gid 1eby 1u1b 3bv9 4gr0 3utu 1g2k \n43 3fv1 3ag9 3uri 1u1b 3bv9 4gid 3gnw 1eby 3utu 3pww 3o9i 3zso \n44 2p15 3uri 1u1b 3ag9 3gnw 4gid 3bv9 3utu 3o9i 1eby 3prs 2vkm \n45 1mq6 3ag9 3uri 1eby 3utu 3pww 1u1b 1k1i 3prs 3o9i 2vkm 1z6e \n46 4f3c 1u1b 3uri 3ag9 1eby 3prs 3bv9 3utu 4gid 3gnw 2vkm 3o9i \n47 1o3f 1u1b 3uri 3utu 4crc 4x6p 3o9i 1lpg 3ag9 1eby 3prs 1o3f \n48 2vw5 3uri 3ag9 3pww 1eby 3utu 3prs 4gid 1u1b 1g2k 3bv9 2vkm \n49 3kr8 3ag9 3uri 1u1b 2v7a 3o9i 1eby 3bv9 1g2k 3utu 3prs 4ogj \n50 2x00 3uri 3ag9 1u1b 3utu 3pww 1eby 3prs 3bv9 4gid 2vkm 3gnw \n51 3nw9 1u1b 3uri 3ag9 3nw9 3pww 3prs 3bv9 3utu 1eby 4gid 3gnw \n52 3zso 3uri 3ag9 1u1b 1eby 3bv9 3pww 3prs 3utu 3gnw 4gid 1g2k \n53 2xb8 3ag9 3uri 1eby 1u1b 3utu 3bv9 3gnw 2vkm 3pww 1g2k 3o9i \n54 4w9h 3ag9 3uri 1u1b 3utu 3bv9 3pww 4gr0 4gid 1lpg 4w9l 3prs \n55 3uex 3ag9 3uri 3pww 1eby 3utu 3prs 1u1b 4gr0 1g2k 4gid 3bv9 \n56 4gr0 3uri 3ag9 3utu 3prs 3pww 1u1b 4gid 3o9i 1eby 4gr0 1g2k \n57 1u1b 3uri 3ag9 1u1b 3prs 3pww 1eby 3utu 3bv9 4gr0 1g2k 4gid \n\n 12 13 14 15 16 17 18 19 20 21 22 23 \\\n1 4ogj 4w9l 2v7a 3zso 1g2k 1lpg 4gr0 2qnq 4x6p 3o9i 3gnw 2yge \n2 1g2k 3o9i 2qnq 4w9l 3gnw 3zso 4x6p 3nw9 1lpg 4tmn 2p4y 1nvq \n3 2brb 4gid 1g2k 2vkm 3bv9 3utu 3myg 2br1 4w9l 3zso 3o9i 4eor \n4 3prs 3gnw 3o9i 2vkm 2qnq 4gid 4cra 3zso 4ty7 3nw9 1z6e 1k1i \n5 2vkm 3zso 4w9l 3o9i 4ogj 2p4y 1z6e 1k1i 2qnq 1nvq 4gr0 4x6p \n6 2vkm 3gnw 4gid 2qnq 3zso 4gr0 1lpg 2yge 4w9l 2p4y 4ogj 1z6e \n7 4ogj 3utu 3qgy 1g2k 3gnw 4gr0 3e93 2wtv 3o9i 4cra 1nvq 2xnb \n8 1nvq 3gnw 4x6p 2vkm 4gid 2yge 4w9l 2qnq 3arq 4gr0 3b1m 1lpg \n9 3bv9 1g2k 1z6e 4gr0 1lpg 4x6p 3zso 4w9l 2qbp 4crc 4cra 3tsk \n10 2vkm 1g2k 4gid 2yge 3zso 3tsk 2p4y 4crc 3p5o 4w9l 1nvq 4ogj \n11 3o9i 4e5w 1lpg 3nw9 4gid 2vkm 1g2k 4crc 4ty7 2yge 3coy 2qnq \n12 2qnq 4gid 3zso 4x6p 4gr0 2vkm 1nvq 4w9l 2p4y 1z6e 2qbp 2yge \n13 3nw9 3utu 4gr0 2vkm 3prs 3zso 3arq 1g2k 1k1i 4gid 2x00 1nvq \n14 3gnw 1g2k 3o9i 4w9l 3zso 2qnq 3nw9 4x6p 2xbv 1lpg 2p4y 4crc \n15 3o9i 3gnw 4crc 4gr0 2qnq 4x6p 3zso 4w9l 1lpg 2yge 3tsk 2p4y \n16 4gid 4w9l 3zso 2qnq 3o9i 2yge 4gr0 1nvq 3arq 3nw9 3tsk 2p4y \n17 3nw9 4gr0 2qbp 4tmn 2yge 4w9l 3zso 1h23 2vw5 3coy 1nvq 2qnq \n18 4gr0 3o9i 3gnw 3zso 2qnq 2vkm 3b1m 1g2k 1k1i 2yge 4ty7 1nvq \n19 1g2k 3zso 3gnw 3o9i 2p4y 2qnq 1lpg 4w9l 3nw9 4x6p 1z6e 3b1m \n20 4w9l 3o9i 3gnw 3bv9 2qnq 4eky 4ogj 2yge 4gid 3zso 2xii 1lpg \n21 3zso 3ge7 3bv9 4w9l 2yge 3gnw 1g2k 2vkm 4ivd 2qnq 1lpg 4crc \n22 3o9i 4gr0 3tsk 1z6e 1nvq 3e93 3zso 4crc 4x6p 3gnw 4w9l 1lpg \n23 2vkm 3zso 1lpg 3o9i 4w9l 2qnq 4cig 4gr0 3nw9 2p4y 2yge 1nvq \n24 1g2k 4gid 2qnq 3zso 4x6p 4gr0 4w9l 1lpg 2p4y 4cig 1z6e 4crc \n25 4gr0 2vkm 4gid 1g2k 1nvq 2qbp 3nw9 3o9i 1lpg 3zso 3gnw 1z6e \n26 4gid 2vkm 4ogj 3o9i 4e5w 1g2k 4gr0 3zso 3gnw 3nw9 4ivc 4ivb \n27 1g2k 4w9l 3zso 2qnq 4rfm 4tmn 4x6p 3nw9 3gnw 4gr0 1lpg 4cra \n28 3o9i 3zso 2vkm 2qnq 4x6p 4gr0 2yge 4crc 1lpg 4w9l 3arq 4cig \n29 3utu 3uo4 4eor 4ivd 4ivc 1lpg 3e5a 3bv9 3myg 4crc 4gid 2brb \n30 4ivc 2br1 3pww 4e5w 2v7a 4x6p 3utu 4e6q 3bv9 1lpg 4w9l 1g2k \n31 3prs 3utu 3bv9 1g2k 4eor 4gid 3uo4 3o9i 4w9l 2vkm 3up2 4ivd \n32 3pww 3qgy 3prs 3bv9 1g2k 3up2 2vkm 4eor 4ivc 2wtv 4x6p 4ivb \n33 4gr0 3o9i 4w9l 3gnw 1lpg 3zso 2qnq 3tsk 4cra 2p4y 4crc 4x6p \n34 3prs 2vkm 3gnw 1g2k 3o9i 3nw9 2br1 2yge 4w9l 3zso 2zda 1oyt \n35 3gnw 1g2k 3zso 1lpg 2qnq 4w9l 4gr0 4x6p 1z6e 2yge 2p4y 3b1m \n36 4eor 3utu 2xnb 1g2k 4gid 3bv9 4rfm 2yge 2wtv 2brb 4ivd 2p4y \n37 4w9l 3bv9 2p4y 4gid 1z6e 3prs 2qnq 3zso 3qgy 1g2k 2vkm 3p5o \n38 4gid 3prs 3bv9 1lpg 2vkm 1k1i 4x6p 4crc 4tmn 3gnw 2qbp 3nw9 \n39 3gnw 2vkm 1g2k 1lpg 2qnq 4w9l 3nw9 3zso 4x6p 3tsk 1k1i 4crc \n40 4gid 3pww 1g2k 4gr0 4cig 2vkm 2qnq 4w9l 4tmn 3arq 2yge 1k1i \n41 2yge 1nvq 3nw9 1eby 1g2k 3gnw 2vw5 2qnq 4tmn 3ge7 1k1i 3oe4 \n42 2vkm 1lpg 3gnw 4w9l 3o9i 3zso 3b1m 2qnq 2p4y 4cig 2x00 2v7a \n43 2vkm 3prs 3nw9 1g2k 1nvq 4w9l 2qnq 2yge 5tmn 4gr0 2qbp 4w9h \n44 1g2k 3pww 2qnq 3zso 1k1i 3arq 1nvq 4w9l 4tmn 4cig 3nw9 1lpg \n45 4gid 2xbv 3bv9 1g2k 2qnq 3gnw 1lpg 4w9l 4gr0 3zso 2br1 4cra \n46 3pww 3nw9 1z6e 3zso 1g2k 4w9h 1k1i 4x6p 4gr0 2yge 3arq 4w9l \n47 1z6e 1k1i 3gnw 1sqa 3coz 1g2k 3bv9 3pww 3nw9 4cra 2qbp 1nvq \n48 3o9i 3gnw 2yge 2qnq 4w9l 4gr0 4x6p 3zso 1nvq 1k1i 4ogj 4crc \n49 4gr0 3pww 2qnq 3qgy 2xnb 4w9l 1nvq 1lpg 4gid 2vkm 3gnw 3zso \n50 3o9i 1g2k 4gr0 3zso 4w9l 1lpg 2p4y 2qnq 4x6p 3e93 1nvq 3nw9 \n51 2vkm 2qnq 1g2k 3zso 4gr0 4x6p 3o9i 3e93 1lpg 4w9l 3tsk 3oe4 \n52 4gr0 3zso 2vkm 3o9i 2qnq 4w9l 3tsk 4x6p 1lpg 2p4y 3nw9 4crc \n53 4x6p 3prs 4w9l 1lpg 4gid 2yge 3zso 4gr0 2qnq 2p4y 3arq 4ogj \n54 2vkm 3zso 1eby 3o9i 4crc 3nw9 1g2k 3tsk 3gnw 2qbp 2p4y 2v7a \n55 3o9i 3gnw 3zso 3tsk 2vkm 4w9l 2qnq 1lpg 4x6p 3nw9 3b1m 1nvq \n56 2vkm 3gnw 4w9l 3bv9 4x6p 3tsk 1lpg 2qnq 4crc 3nw9 2v7a 1z6e \n57 2vkm 3gnw 1nvq 1lpg 3o9i 4x6p 3zso 3nw9 4crc 2qnq 1z6e 4ogj \n\n 24 25 26 27 28 29 \n1 4crc 3tsk 3nw9 2p4y 3e93 1k1i \n2 4crc 3tsk 4cra 1z6e 1k1i 4ogj \n3 4qd6 4ogj 4ivc 2qnq 4gr0 3b1m \n4 4gr0 1nvq 4w9l 3coz 2p4y 3tsk \n5 2yge 3b1m 3arq 4crc 1lpg 2qbp \n6 4tmn 4x6p 4crc 4cra 3tsk 3arq \n7 2qnq 4x6p 4rfm 3zso 3tsk 2p4y \n8 4crc 4cra 3nw9 2p4y 3tsk 2x00 \n9 1k1i 3gnw 3nw9 1nvq 2p4y 1h23 \n10 1lpg 4tmn 1z6e 2vw5 3nw9 4gr0 \n11 4gr0 4cig 4x6p 2p4y 1k1i 4w9l \n12 4cig 1lpg 1k1i 3arq 2wtv 2x00 \n13 2p4y 3tsk 3o9i 1z6e 4ty7 4cig \n14 3tsk 4rfm 2qbp 3e93 1z6e 1nvq \n15 3b1m 1nvq 3arq 1z6e 3nw9 4cra \n16 4cig 5tmn 4ogj 1lpg 3b1m 1z6e \n17 3gnw 1g2k 1ydt 1k1i 5c2h 3tsk \n18 4tmn 4cra 3coy 3nw9 1lpg 2x00 \n19 1nvq 3tsk 4ogj 4crc 4cra 3e93 \n20 2vkm 4ivd 4ivb 1k1i 4eor 4gr0 \n21 3arq 4ivc 4gr0 1nvq 1oyt 3coz \n22 3nw9 4ogj 2qnq 4cra 3b1m 2p4y \n23 3b1m 3arq 2x00 4x6p 4crc 3tsk \n24 3arq 3b1m 3nw9 2yge 4rfm 1nvq \n25 2p4y 4w9l 2qnq 3e93 2xbv 4tmn \n26 1yc1 2qnq 2qbp 4ivd 4e6q 4eor \n27 4crc 3tsk 4w9i 2xbv 2p4y 3b1m \n28 2p4y 1k1i 3nw9 1nvq 2xbv 3tsk \n29 4w9l 3o9i 4e5w 2vkm 4ivb 2xnb \n30 3gnw 3nw9 4eor 2vkm 3zso 1yc1 \n31 1lpg 4gr0 4e5w 4ivc 3zso 2p4y \n32 2qbp 3nw9 4ogj 2brb 3zso 2br1 \n33 1z6e 1nvq 1k1i 4cig 2xbv 3b1m \n34 1z6e 4cra 4gr0 4e5w 4crc 3ivg \n35 4ogj 4crc 3tsk 3nw9 4cra 3arq \n36 2qnq 4e5w 4x6p 4ivc 3o9i 2vkm \n37 4gr0 3e5a 1sqa 4crc 3arq 4cig \n38 3coz 4w9l 1nvq 3ivg 1oyt 3coy \n39 2yge 2yki 4cra 2p4y 3b1m 2xbv \n40 3tsk 2qbp 2wtv 3b1m 4x6p 1lpg \n41 1lpg 2wtv 1o0h 4gid 2vkm 2zda \n42 3arq 1z6e 3nw9 2yge 3tsk 1nvq \n43 4tmn 4w9i 1k1i 2qbr 4ogj 2wtv \n44 4gr0 2yge 3b1m 4x6p 5tmn 3tsk \n45 3nw9 3arq 1mq6 4crc 3oe4 3tsk \n46 4cra 3b1m 3tsk 2qnq 1nvq 4cig \n47 4gid 3arq 3ivg 4ty7 2xbv 3zso \n48 3arq 2br1 3nw9 4eor 1lpg 2p4y \n49 1z6e 4eor 4rfm 2yge 3kr8 4cig \n50 3tsk 2xbv 4ty7 4cra 4crc 4ogj \n51 4cra 2xbv 1z6e 4crc 4tmn 1k1i \n52 4cig 2yge 1z6e 4cra 3b1m 3zsx \n53 2qbp 1nvq 4cra 3nw9 4cig 4crc \n54 4x6p 2qnq 2xbv 3e93 4ogj 4w9i \n55 2yge 2p4y 2x00 2xbv 4crc 2qbp \n56 4cra 4ogj 3zso 2qbp 3e93 2xbv \n57 3e93 4w9l 4tmn 4rfm 2p4y 3b1m \n\nSummary of the forward screening power: =========================================================\nAverage enrichment factor among top 1% = 2.74\nAverage enrichment factor among top 5% = 2.43\nAverage enrichment factor among top 10% = 2.16\nThe best ligand is found among top 1% candidates for 7 cluster(s); success rate = 12.3%\nThe best ligand is found among top 5% candidates for 16 cluster(s); success rate = 28.1%\nThe best ligand is found among top 10% candidates for 26 cluster(s); success rate = 45.6%\n================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Forward_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Forward_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_7A/ReverseScreeningPower_DeepDock_7A.out", "content": " code 1 2 3 4 5 6\n1 4llx 3nw9 3o9i 2p4y 4gr0 4agq 3ag9\n2 5c28 3o9i 3nw9 4gid 3kr8 4agq 3e93\n3 3uuo 2fvd 4jia 3myg 3o9i 3ebp 1nvq\n4 3ui7 4jia 2fvd 3o9i 4gid 3myg 1nvq\n5 5c2h 4ivc 3ge7 4gid 3o9i 3kr8 5c2h\n6 2v00 3e93 3o9i 4agq 2p4y 3nw9 4ivc\n7 3wz8 4gid 2p4y 3o9i 4jia 3e93 2fvd\n8 3pww 3o9i 4gid 2p4y 4jia 5c2h 3e93\n9 3prs 3o9i 4gid 2p4y 3e93 5c2h 4jia\n10 3uri 4gid 2p4y 3o9i 3e93 3arp 3qqs\n11 4m0z 4ivc 1sqa 3ge7 3nw9 3myg 4jia\n12 4m0y 3kr8 4ivc 4jia 3ge7 3nw9 4agq\n13 3qgy 4jia 2fvd 1nvq 3kr8 4rfm 4twp\n14 4qd6 4gid 2p4y 4jia 4rfm 5c2h 3o9i\n15 4rfm 4gid 4jia 3myg 3o9i 4rfm 2p4y\n16 4cr9 4ivc 4jia 3o9i 3myg 3kr8 3utu\n17 4cra 3o9i 4gid 3e93 2p4y 2yki 3nw9\n18 4x6p 3o9i 4gid 3ge7 3ag9 2p4y 4ivc\n19 4crc 3ag9 3o9i 4gid 3e93 2fvd 2p4y\n20 4ty7 4gid 3o9i 4jia 2p4y 3ge7 3nw9\n21 5aba 2p4y 4gid 3qqs 3o9i 3e93 4agq\n22 5a7b 4gid 3o9i 3e93 5c2h 2p4y 4jia\n23 4agn 3o9i 3kr8 2p4y 4gid 3e93 4jia\n24 4agp 4gid 3e93 3o9i 5c2h 2p4y 2fvd\n25 4agq 4gid 3o9i 3e93 5c2h 3kr8 4jia\n26 3bgz 4ivc 2yki 3ge7 4jia 3o9i 1nvq\n27 3jya 3o9i 3ge7 4gid 2fvd 2p4y 3myg\n28 2c3i 3kr8 4jia 1nvq 4twp 2fvd 4rfm\n29 4k18 2fvd 4ivc 1nvq 3kr8 4jia 4agq\n30 5dwr 4jia 3o9i 2fvd 4gid 2p4y 3ebp\n31 3mss 4gid 2p4y 4agq 3e93 2fvd 4ivc\n32 3k5v 4gid 3o9i 2p4y 2fvd 5c2h 3qqs\n33 3pyy 4gid 3nw9 2fvd 3e93 4ivc 3ebp\n34 2v7a 2fvd 4jia 3myg 4twp 1nvq 3kr8\n35 4twp 4twp 1nvq 4jia 2p4y 3myg 4gid\n36 3wtj 3nw9 4agq 4gid 3o9i 4ivc 4jia\n37 3zdg 4agq 4gid 3e93 3nw9 3o9i 2p4y\n38 3u8k 4agq 3e93 3nw9 3o9i 4gid 3kr8\n39 4qac 2p4y 3nw9 4agq 4gid 3o9i 4jia\n40 3u8n 4agq 4gid 3e93 3nw9 4jia 3o9i\n41 1a30 4gid 3o9i 2p4y 3qqs 4jia 2yki\n42 2qnq 3o9i 4gid 2p4y 4jia 3nw9 2yki\n43 1g2k 4gid 3o9i 2p4y 4jia 3e93 2fvd\n44 1eby 3o9i 4gid 2p4y 4jia 3e93 2fvd\n45 3o9i 3o9i 2p4y 4gid 4ivc 3e93 4jia\n46 4lzs 4jia 3myg 2fvd 1nvq 4ivc 3ge7\n47 3u5j 3nw9 3utu 3myg 4rfm 4gid 4agq\n48 4wiv 4jia 3o9i 4gid 4twp 2fvd 3ge7\n49 4ogj 2fvd 4jia 4ivc 3myg 3ge7 4gid\n50 3p5o 3ge7 1sqa 3p5o 3o9i 4gid 4rfm\n51 1ps3 3kr8 1nvq 4ivc 3ag9 3ejr 4jia\n52 3dx1 2fvd 3o9i 3e93 2p4y 3ge7 4gid\n53 3d4z 3kr8 3ejr 2fvd 4jia 3o9i 3ag9\n54 3dx2 3kr8 3e93 4gid 3ag9 3utu 3o9i\n55 3ejr 3ge7 4ivc 1nvq 3kr8 4gid 3nw9\n56 3l7b 3nw9 4jia 2fvd 3ag9 4gid 4ivc\n57 4eky 3kr8 3nw9 3ge7 4pcs 3myg 3dd0\n58 3g2n 4jia 3ag9 2yki 3utu 3nw9 3ge7\n59 3syr 3ejr 4jia 3nw9 3utu 2yki 3ge7\n60 3ebp 4ivc 4jia 2fvd 3kr8 3o9i 4gid\n61 2w66 3e93 2p4y 4gid 4agq 3o9i 4ivc\n62 2w4x 4gid 4agq 2p4y 3o9i 3e93 3qqs\n63 2wca 2fvd 4gid 4agq 3ge7 4jia 3o9i\n64 2xj7 3o9i 3nw9 3ge7 4gid 3e93 4pcs\n65 2vvn 3ge7 3nw9 3o9i 3e93 4agq 2p4y\n66 3aru 4gid 3ge7 3nw9 4agq 3o9i 3kr8\n67 3arv 4agq 3qqs 4gid 3o9i 3ge7 3e93\n68 3ary 3nw9 4agq 2fvd 3ge7 3ebp 3kr8\n69 3arq 2p4y 3ge7 4jia 4gid 3o9i 1nvq\n70 3arp 3o9i 4gid 3e93 5c2h 2p4y 3qqs\n71 4ih5 4ivc 3ge7 3nw9 4agq 3kr8 3utu\n72 4ih7 4gid 2fvd 3u8n 3e93 1nvq 4agq\n73 3cj4 3o9i 3e93 3ge7 4jia 4gid 2fvd\n74 4eo8 4gid 2p4y 3e93 3o9i 3qqs 4jia\n75 3gnw 4gid 2p4y 3qqs 2x00 3o9i 2yki\n76 1gpk 3o9i 3e93 2p4y 4gid 3nw9 3kr8\n77 1gpn 3o9i 3e93 2p4y 2yki 2xb8 3myg\n78 1h23 3o9i 2p4y 5c2h 4gid 3e93 4jia\n79 1h22 4gid 3o9i 3e93 2p4y 2yki 3qqs\n80 1e66 2yki 3kr8 4agq 3myg 1sqa 3nw9\n81 3f3a 3e93 4agq 4gid 3qqs 3u8n 3nw9\n82 3f3c 4gid 2p4y 3o9i 3e93 4agq 2fvd\n83 4mme 3e93 4gid 2p4y 4agq 3nw9 3o9i\n84 3f3d 4gid 3o9i 3qqs 2p4y 4agq 3e93\n85 3f3e 4gid 3e93 3o9i 3nw9 3qqs 2yki\n86 2wbg 3ge7 3utu 3ejr 3myg 2fvd 4jia\n87 2cbv 2p4y 3e93 3o9i 4gid 2yki 3ebp\n88 2j78 3kr8 3ejr 3ge7 3myg 4agq 4ivc\n89 2j7h 3kr8 3ejr 3nw9 4gid 2yki 1o3f\n90 2cet 4jia 2yki 3ejr 2fvd 3kr8 3nw9\n91 3udh 4jia 3e93 4gid 2p4y 3o9i 4twp\n92 3rsx 4agq 3o9i 3ge7 3nw9 4ivc 2fvd\n93 4djv 3ge7 4ivc 4gid 3nw9 4jia 2p4y\n94 2vkm 4gid 3o9i 3e93 2p4y 5c2h 4jia\n95 4gid 4gid 3o9i 2p4y 4jia 3e93 2x00\n96 4jfs 4agq 4gid 3e93 3o9i 3qqs 4ivc\n97 4j28 4gid 3nw9 3e93 4agq 2p4y 3o9i\n98 2wvt 3e93 2p4y 4gid 3o9i 3kr8 3nw9\n99 2xii 4twp 4jia 3kr8 4agq 3o9i 2yki\n100 4pcs 4gid 4agq 3ebp 4ivc 2p4y 2fvd\n101 3rr4 4jia 3kr8 3ge7 1nvq 4agq 4ivc\n102 1s38 3nw9 4ivc 4jia 2fvd 1nvq 3ag9\n103 1r5y 3ge7 3ag9 4ivc 4jia 3kr8 1nvq\n104 3gc5 3ge7 1nvq 4ivc 3kr8 2fvd 3myg\n105 3ge7 3ge7 4ivc 4jia 1nvq 3myg 2yki\n106 4dli 4agq 3o9i 3nw9 4ivc 4gid 2fvd\n107 2zb1 3o9i 3nw9 4gid 2p4y 4twp 4agq\n108 4f9w 2fvd 4agq 3o9i 4jia 4gid 3e93\n109 3e92 3o9i 4gid 3ge7 4ivc 2p4y 3nw9\n110 3e93 3e93 4gid 3o9i 3nw9 5c2h 2x00\n111 4owm 3kr8 3ejr 3ag9 3nw9 4gid 4agq\n112 3twp 4gid 3nw9 2p4y 4agq 3e93 3kr8\n113 3r88 3e93 3o9i 3qqs 2p4y 4gid 4ivc\n114 4gkm 3e93 3qqs 3o9i 2p4y 4agq 4jia\n115 3qqs 3e93 3nw9 3ejr 3o9i 4ivc 4agq\n116 3gv9 4gid 3nw9 3o9i 4ivc 3zso 3ag9\n117 3gr2 3o9i 3e93 3qqs 2p4y 4agq 4twp\n118 4kz6 4gid 3nw9 2p4y 3o9i 3e93 2yki\n119 4jxs 4ivc 2p4y 4agq 3o9i 4gid 3e93\n120 2r9w 2p4y 4gid 3qqs 2fvd 3o9i 3e93\n121 2hb1 4gid 3o9i 3utu 4jia 2yki 4ivc\n122 1bzc 3o9i 4gid 3e93 2p4y 4ivc 4twp\n123 2qbr 3o9i 4gid 2fvd 1nvq 4jia 3ge7\n124 2qbq 3o9i 4ivc 4jia 3ge7 4gid 3e93\n125 2qbp 3o9i 1nvq 4gid 4jia 2p4y 3e93\n126 1q8t 4jia 3nw9 3ge7 4ivc 2fvd 1nvq\n127 1ydr 4ivc 1nvq 3ge7 3ag9 3myg 3kr8\n128 1q8u 4jia 2fvd 1nvq 3nw9 3ag9 3ejr\n129 1ydt 4jia 4ivc 1nvq 2fvd 3myg 3o9i\n130 3ag9 3o9i 2p4y 3ag9 4gid 3e93 3qqs\n131 3fcq 2p4y 3o9i 4agq 4gid 3e93 3qqs\n132 1z9g 3e93 4agq 4gid 2p4y 3qqs 4ivc\n133 1qf1 4gid 2p4y 3e93 3o9i 3qqs 4agq\n134 5tmn 4gid 3o9i 5c2h 2p4y 4jia 3qqs\n135 4tmn 3o9i 2p4y 4gid 3nw9 4jia 3e93\n136 4ddk 3o9i 4gid 4agq 3e93 2p4y 3nw9\n137 4ddh 4gid 4agq 3o9i 3e93 2p4y 3u8n\n138 3ivg 3o9i 4jia 4ivc 4gid 3utu 3myg\n139 3coz 4jia 3ge7 3o9i 4ivc 3nw9 4gid\n140 3coy 4jia 3myg 3o9i 4ivc 3nw9 4gid\n141 3pxf 3o9i 3e93 4agq 3qqs 2yki 3nw9\n142 4eor 4jia 2fvd 3myg 1nvq 4ivc 3kr8\n143 2xnb 3myg 2fvd 4jia 3kr8 4twp 4ivc\n144 1pxn 4jia 3myg 2fvd 1nvq 4twp 3ag9\n145 2fvd 2p4y 2fvd 4gid 3o9i 1nvq 3kr8\n146 4k77 4jia 2fvd 4ivc 3nw9 3ge7 1nvq\n147 4e5w 1nvq 4ivc 4jia 2fvd 3ag9 3myg\n148 4ivb 4ivc 2fvd 1nvq 4jia 3ag9 3myg\n149 4ivd 4ivc 1nvq 4jia 2fvd 3ge7 3myg\n150 4ivc 4ivc 2fvd 4jia 1nvq 3myg 3ge7\n151 4f09 2fvd 4ivc 4jia 3myg 1nvq 3ag9\n152 4gfm 3nw9 2fvd 4ivc 3ejr 3dd0 4jia\n153 4hge 4jia 4rfm 3myg 4ivc 1nvq 3ag9\n154 4e6q 4jia 4ivc 1nvq 3ge7 3ag9 2fvd\n155 4jia 2fvd 3kr8 4gid 4jia 2p4y 4ivc\n156 2brb 2fvd 3myg 1nvq 4rfm 4jia 3ag9\n157 2br1 4jia 3myg 4ivc 1nvq 4rfm 2fvd\n158 3jvr 4gid 2p4y 3ge7 3o9i 3e93 3qqs\n159 3jvs 3o9i 4gid 2p4y 3e93 3nw9 4jia\n160 1nvq 4jia 1nvq 2fvd 4ivc 3myg 3ag9\n161 3acw 2p4y 4gid 4agq 3o9i 2fvd 4jia\n162 4ea2 4gid 3o9i 2p4y 3e93 3ge7 4jia\n163 2zcr 4gid 3o9i 2p4y 3e93 2yki 3nw9\n164 2zy1 3nw9 3o9i 2p4y 4agq 4gid 4jia\n165 2zcq 4gid 2p4y 3o9i 4agq 3e93 4twp\n166 1bcu 4agq 4gid 3e93 3qqs 3ge7 3o9i\n167 3bv9 4gid 3o9i 2p4y 3e93 4jia 3qqs\n168 1oyt 3ge7 4gid 4jia 3utu 3o9i 4ivc\n169 2zda 3utu 4twp 4gid 3nw9 3o9i 3ge7\n170 3utu 3e93 3utu 3o9i 4gid 2p4y 4jia\n171 3u9q 4agq 3e93 4gid 3u8n 3nw9 2p4y\n172 2yfe 4gid 2p4y 3qqs 3o9i 4jia 4agq\n173 3fur 4gid 3o9i 3ge7 2p4y 3nw9 3e93\n174 3b1m 4gid 2p4y 3e93 3o9i 3qqs 3ge7\n175 2p4y 4gid 4jia 3o9i 2p4y 3e93 3myg\n176 3uo4 4jia 2fvd 1nvq 4gid 3myg 3o9i\n177 3up2 4jia 1nvq 2fvd 4ivc 3ag9 4twp\n178 3e5a 2fvd 4jia 4gid 3o9i 4ivc 2p4y\n179 2wtv 4jia 3myg 1nvq 4gid 2p4y 3o9i\n180 3myg 3myg 2fvd 4jia 4rfm 4gid 3kr8\n181 3kgp 4gid 3nw9 4agq 3o9i 3ag9 3e93\n182 1c5z 3nw9 3utu 4jia 1o3f 1sqa 3kr8\n183 1o5b 4ivc 1sqa 3myg 1o3f 4jia 3o9i\n184 1owh 3o9i 4jia 1sqa 4gid 2yki 1o3f\n185 1sqa 3o9i 4gid 1sqa 4jia 3ge7 4ivc\n186 4jsz 3o9i 3nw9 4agq 3ejr 1sqa 3ge7\n187 3kwa 3e93 2p4y 4gid 4agq 3o9i 3qqs\n188 2weg 3kr8 3nw9 3o9i 1nvq 3ebp 3ge7\n189 3ryj 3nw9 3ge7 4jia 4agq 4ivc 4twp\n190 3dd0 3nw9 4ivc 3dd0 3ge7 2fvd 3ebp\n191 2xdl 3o9i 4gid 4twp 3e93 2p4y 3qqs\n192 3b27 4ivc 2fvd 3ge7 3kr8 3o9i 3nw9\n193 1yc1 4ivc 4jia 2fvd 3ag9 4rfm 3myg\n194 3rlr 1nvq 2yki 3ge7 4ivc 3e93 4gid\n195 2yki 2yki 4gid 3e93 3o9i 4jia 3ge7\n196 1z95 3o9i 2p4y 4gid 3qqs 3e93 3nw9\n197 3b68 3o9i 4gid 3e93 2p4y 3nw9 3ge7\n198 3b5r 3o9i 2p4y 4gid 3qqs 4agq 3e93\n199 3b65 4gid 3e93 3nw9 3o9i 2p4y 3qqs\n200 3g0w 3nw9 4jia 4agq 4gid 5c2h 3o9i\n201 4u4s 3o9i 4gid 2p4y 3e93 4agq 4jia\n202 1p1q 3nw9 3e93 4gid 3ejr 4tmn 3kr8\n203 1syi 4gid 3e93 2p4y 2fvd 3o9i 4ivc\n204 1p1n 2p4y 2yki 3ge7 3e93 4gid 3qqs\n205 2al5 4gid 2p4y 4agq 3nw9 2yki 3e93\n206 3g2z 4gid 3e93 4agq 3nw9 3o9i 2p4y\n207 3g31 3o9i 2p4y 3e93 4jia 2yki 4gid\n208 4de2 3nw9 3ge7 4jia 4gid 3o9i 3utu\n209 4de3 3ge7 3nw9 4ivc 4agq 4jia 2p4y\n210 4de1 4jia 3nw9 1nvq 5c2h 4twp 3ge7\n211 1vso 2p4y 4gid 3e93 3qqs 4ivc 3o9i\n212 4dld 4ivc 3e93 4jia 4gid 2fvd 4agq\n213 3gbb 2p4y 4gid 3o9i 3nw9 3e93 4agq\n214 3fv2 3o9i 2p4y 3e93 3nw9 4agq 4gid\n215 3fv1 2p4y 3e93 3o9i 3nw9 1e66 4gid\n216 4mgd 4agq 4gid 2fvd 4jia 4ivc 3e93\n217 2qe4 4jia 3ge7 2fvd 3nw9 1nvq 4gid\n218 1qkt 4jia 2fvd 3ge7 4agq 4ivc 4gid\n219 2pog 4jia 2fvd 3nw9 4ivc 1nvq 3ge7\n220 2p15 3o9i 3nw9 2p4y 4gid 4jia 4twp\n221 2y5h 4gid 2p4y 3o9i 5c2h 3nw9 4jia\n222 1lpg 4gid 3o9i 2p4y 3utu 1nvq 4jia\n223 2xbv 4jia 4gid 3o9i 2p4y 4ivc 3e93\n224 1z6e 3o9i 4gid 3e93 2p4y 4jia 4agq\n225 1mq6 4jia 3o9i 4gid 2p4y 2fvd 1nvq\n226 1nc3 3nw9 4agq 3qqs 3o9i 4gid 3ge7\n227 1nc1 4ivc 4jia 2fvd 3nw9 3ag9 3myg\n228 1y6r 2fvd 4ivc 4jia 3nw9 3ag9 3ejr\n229 4f2w 4ivc 4jia 1nvq 3ge7 3ag9 3nw9\n230 4f3c 4ivc 2fvd 4jia 1nvq 3ge7 3nw9\n231 1uto 3nw9 3kr8 4agq 3utu 4jia 3e93\n232 4abg 1sqa 3nw9 3utu 4agq 1o3f 4ivc\n233 3gy4 3nw9 3ag9 3utu 1sqa 3kr8 4ivc\n234 1k1i 3o9i 3utu 1mq6 4jia 2fvd 1sqa\n235 1o3f 1o3f 3ge7 3nw9 4ivc 4jia 1sqa\n236 2yge 3ge7 2p4y 4jia 3myg 4gid 2vw5\n237 2fxs 4jia 2fvd 4ivc 1nvq 3ag9 5c2h\n238 2iwx 2yki 1nvq 3kr8 4jia 4ivc 4agq\n239 2wer 2yki 4rfm 3ag9 3kr8 1sqa 4ivc\n240 2vw5 4ivc 4jia 3o9i 2p4y 4gid 3ge7\n241 4kzq 3kr8 4jia 4ivc 3myg 3ag9 2fvd\n242 4kzu 3kr8 1nvq 3myg 4jia 4twp 2fvd\n243 4j21 3kr8 3myg 3ag9 4ivc 3nw9 4jia\n244 4j3l 3kr8 4ivc 3myg 3ge7 4gid 3o9i\n245 3kr8 3kr8 2fvd 1nvq 3myg 4jia 4rfm\n246 2ymd 3o9i 4agq 3utu 4jia 3myg 2fvd\n247 2wnc 3e93 3nw9 4agq 3kr8 3ge7 4gid\n248 2xys 3e93 4gid 4jia 2p4y 3ge7 3o9i\n249 2wn9 3o9i 4gid 3qqs 3nw9 3e93 2p4y\n250 2x00 2p4y 3o9i 3e93 3qqs 4gid 3myg\n251 3ozt 4gid 3o9i 2p4y 3e93 3nw9 3myg\n252 3ozs 3o9i 4gid 3nw9 2p4y 4ivc 3kr8\n253 3oe5 4gid 3o9i 4jia 3e93 3kr8 3myg\n254 3oe4 3o9i 3nw9 4gid 3e93 4jia 3kr8\n255 3nw9 3nw9 4gid 3o9i 4jia 3e93 2p4y\n256 3ao4 3nw9 4agq 3ge7 3o9i 4gid 2fvd\n257 3zt2 4ivc 3qqs 3e93 4agq 3o9i 4gid\n258 3zsx 3o9i 2p4y 4gid 3ge7 3nw9 4jia\n259 4cig 3o9i 4jia 3qqs 4gid 3e93 3ge7\n260 3zso 4gid 2p4y 3o9i 3ge7 4jia 3e93\n261 3n7a 3kr8 3nw9 3ejr 4agq 2yki 3o9i\n262 4ciw 3nw9 3kr8 3utu 3ge7 3o9i 4ivc\n263 3n86 2yki 3ge7 1nvq 3nw9 3o9i 4jia\n264 3n76 4agq 3o9i 3nw9 4ivc 3ge7 3kr8\n265 2xb8 3kr8 3nw9 2yki 4jia 1sqa 3e93\n266 4bkt 3ejr 3kr8 4agq 4jia 3ge7 4rfm\n267 4w9c 4jia 3o9i 2p4y 4gid 4ivc 1nvq\n268 4w9l 4gid 4jia 3o9i 2p4y 3ge7 5c2h\n269 4w9i 3o9i 4gid 2p4y 3e93 2yki 3kr8\n270 4w9h 4gid 4jia 3o9i 2p4y 1nvq 3myg\n271 3nq9 4agq 4gid 3o9i 3e93 3u8n 4twp\n272 3ueu 4agq 3o9i 3qqs 4gid 2p4y 3nw9\n273 3uev 4agq 3e93 4gid 2p4y 3ge7 3o9i\n274 3uew 4gid 3e93 2p4y 4agq 3o9i 3nw9\n275 3uex 2p4y 4gid 3qqs 3o9i 4jia 3e93\n276 3lka 3nw9 3o9i 4jia 2fvd 3ag9 3dd0\n277 3ehy 4gid 3e93 3nw9 4agq 4jia 3qqs\n278 3tsk 3e93 4gid 3o9i 2p4y 2yki 5c2h\n279 3nx7 3o9i 3e93 4gid 4agq 3nw9 3ge7\n280 4gr0 4gid 3o9i 3e93 2p4y 2yki 4jia\n281 3dxg 4gid 3e93 2yki 2p4y 3nw9 3ag9\n282 3d6q 3kr8 3ge7 1nvq 2fvd 3o9i 3e93\n283 1w4o 3o9i 3nw9 3kr8 2p4y 3ge7 4gid\n284 1o0h 4jia 4ivc 3kr8 3ge7 1sqa 2fvd\n285 1u1b 4gid 3o9i 3e93 2p4y 3nw9 5c2h\n\nSummary of the reverse screening power: =========================================================\nThe best target is found among top 1% candidates for 25 ligand(s); success rate = 8.8%\nThe best target is found among top 5% candidates for 60 ligand(s); success rate = 21.1%\nThe best target is found among top 10% candidates for 80 ligand(s); success rate = 28.1%\n=================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Reverse_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Reverse_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_all/ForwardScreeningPower_DeepDock_all.out", "content": " Target 1 2 3 4 5 6 7 8 9 10 11 \\\n1 5c2h 3uri 3ag9 3pww 3prs 1u1b 2vkm 1eby 4gid 3utu 3bv9 1nvq \n2 3uri 3uri 3ag9 3prs 1eby 2vkm 1u1b 3pww 4gid 3bv9 3utu 4gr0 \n3 4rfm 3uri 1nvq 1u1b 3pww 3prs 3ag9 2v7a 3gnw 1eby 4gid 3utu \n4 4ty7 3uri 3ag9 3pww 1u1b 3utu 4x6p 1eby 3bv9 1lpg 3prs 4crc \n5 4agq 3uri 3ag9 1eby 1u1b 1g2k 3prs 4gid 3pww 3utu 3bv9 3gnw \n6 5dwr 3uri 3ag9 3pww 1u1b 1eby 3prs 3utu 1g2k 1nvq 3bv9 3o9i \n7 4twp 3uri 2v7a 3ag9 3pww 3bv9 3prs 1u1b 1eby 4w9l 2vkm 4gid \n8 3u8n 3ag9 3uri 1u1b 3pww 3utu 1eby 3prs 1g2k 3o9i 3bv9 3gnw \n9 3o9i 3ag9 3uri 3o9i 3prs 1u1b 3pww 1eby 4gid 2qnq 3utu 2vkm \n10 3p5o 3ag9 3uri 1u1b 3utu 3prs 1eby 3pww 3gnw 3o9i 3bv9 2qnq \n11 3ejr 1eby 3uri 3ag9 3utu 1u1b 3pww 3bv9 1nvq 3gnw 3prs 3zso \n12 3ebp 3uri 3ag9 1u1b 3prs 1eby 3bv9 3pww 1g2k 3utu 3gnw 3o9i \n13 2vvn 3pww 1u1b 3uri 3ag9 2yge 4x6p 3gnw 4w9l 3bv9 1eby 2qnq \n14 3arp 3uri 3ag9 1u1b 3utu 3pww 1eby 3prs 2vkm 3bv9 4gid 3gnw \n15 3gnw 3uri 3ag9 3prs 1u1b 3pww 1eby 1g2k 2vkm 3utu 3bv9 4gid \n16 1e66 3uri 3ag9 1u1b 3bv9 3pww 1eby 3prs 3gnw 1g2k 3utu 2vkm \n17 3f3e 3uri 3ag9 1u1b 1eby 3utu 3bv9 4gid 3prs 2vkm 3o9i 3pww \n18 2cet 3uri 3ag9 3prs 3pww 1eby 1u1b 3utu 3bv9 4x6p 4gid 4w9l \n19 4gid 3uri 3ag9 4gid 2vkm 1u1b 3pww 1eby 3prs 3bv9 4gr0 3utu \n20 4pcs 3uri 1u1b 1eby 3utu 3ag9 1g2k 3prs 3pww 2y5h 4crc 4w9l \n21 3ge7 3ag9 3uri 1u1b 1eby 3utu 4ogj 3pww 4x6p 4gid 3prs 3o9i \n22 3e93 3uri 3ag9 1u1b 3utu 3prs 1eby 3pww 2vkm 3bv9 1g2k 4gid \n23 3qqs 3uri 3ag9 1eby 3pww 3prs 3utu 3bv9 1u1b 3gnw 1g2k 4gid \n24 2r9w 3uri 3ag9 1u1b 3prs 3pww 3bv9 1eby 3utu 3o9i 3gnw 2vkm \n25 2qbp 3uri 3ag9 3prs 3pww 1u1b 4crc 1eby 3utu 4x6p 3tsk 3bv9 \n26 3ag9 3ag9 3uri 1nvq 1u1b 4crc 1eby 3pww 3utu 4x6p 3prs 3bv9 \n27 4tmn 3uri 3ag9 3pww 1u1b 1eby 3prs 2vkm 3utu 4gid 3bv9 3o9i \n28 3coy 3ag9 3uri 1eby 3prs 1u1b 1g2k 3pww 3bv9 3gnw 3utu 4gid \n29 2fvd 4ogj 1nvq 2v7a 3uri 3ag9 1eby 1u1b 3prs 3pww 3qgy 1g2k \n30 4ivc 1nvq 3ag9 3uri 4ogj 3prs 1eby 3o9i 1u1b 4gid 3pww 4ivd \n31 4jia 1nvq 3ag9 3uri 4ogj 2wtv 2v7a 3pww 1eby 2br1 1u1b 3prs \n32 1nvq 1nvq 3ag9 3uri 1u1b 1eby 2v7a 4gid 3pww 1lpg 3utu 4ivd \n33 2zcq 3ag9 3uri 3pww 1u1b 1eby 3prs 2vkm 3utu 3bv9 4gid 1g2k \n34 3utu 3utu 3ag9 3uri 1u1b 1lpg 1eby 1k1i 3pww 4gid 2qnq 3bv9 \n35 2p4y 3uri 3ag9 3pww 1u1b 1eby 3prs 4gid 3bv9 3o9i 3utu 3gnw \n36 3myg 3uri 3ag9 2v7a 1nvq 4ogj 1u1b 1eby 3pww 3myg 3prs 2br1 \n37 1sqa 3ag9 3uri 1eby 3utu 1u1b 1lpg 3pww 3o9i 3gnw 4x6p 3bv9 \n38 3dd0 3uri 1eby 3ag9 3utu 3pww 1u1b 2qnq 3prs 1g2k 3o9i 3zso \n39 2yki 3uri 3ag9 3prs 1u1b 3pww 3utu 1eby 3o9i 3bv9 4gr0 3gnw \n40 3g0w 3uri 3bv9 1u1b 3gnw 1eby 3utu 3ag9 3prs 1nvq 3zso 3o9i \n41 2al5 1u1b 3uri 3utu 3prs 3pww 3ag9 3zso 4ogj 3zsx 3o9i 3bv9 \n42 4de1 3uri 3prs 3ag9 3pww 4gid 3bv9 1eby 3utu 1u1b 4gr0 3gnw \n43 3fv1 3ag9 3uri 1u1b 3bv9 4gid 3gnw 1eby 3utu 3o9i 3pww 3zso \n44 2p15 3uri 1u1b 3ag9 3gnw 4gid 3bv9 3o9i 1eby 3utu 3prs 1g2k \n45 1mq6 3ag9 3uri 3pww 1eby 3utu 1u1b 3prs 1k1i 3o9i 2vkm 4gid \n46 4f3c 3uri 1u1b 3ag9 1eby 3prs 3bv9 3utu 4gid 2vkm 3pww 3gnw \n47 1o3f 3uri 1u1b 3utu 4crc 3o9i 4x6p 3ag9 3prs 1lpg 1eby 1o3f \n48 2vw5 3uri 3ag9 3pww 3prs 1eby 3utu 4gid 1g2k 3bv9 1u1b 3o9i \n49 3kr8 3ag9 3uri 1u1b 3o9i 1eby 2v7a 1g2k 3utu 3bv9 3prs 3pww \n50 2x00 3uri 3ag9 1u1b 1eby 3pww 3prs 3utu 3bv9 4gid 2vkm 3gnw \n51 3nw9 1u1b 3uri 3ag9 3nw9 3pww 3prs 3bv9 3utu 1eby 3gnw 4gid \n52 3zso 3uri 3ag9 1eby 1u1b 3pww 3bv9 3prs 3utu 1g2k 3gnw 4gr0 \n53 2xb8 3uri 3ag9 1eby 1u1b 3utu 3bv9 1g2k 3pww 2vkm 3gnw 3o9i \n54 4w9h 3ag9 3uri 1u1b 3utu 3bv9 3pww 3prs 4gr0 4gid 4w9l 1lpg \n55 3uex 3ag9 3uri 3pww 1eby 3prs 3utu 1u1b 4gr0 4gid 3bv9 1g2k \n56 4gr0 3uri 3ag9 3pww 3prs 3utu 1u1b 4gid 1eby 1g2k 2vkm 3o9i \n57 1u1b 3ag9 3uri 1u1b 3prs 1eby 3pww 3utu 3bv9 1g2k 4gr0 4gid \n\n 12 13 14 15 16 17 18 19 20 21 22 23 \\\n1 4w9l 4ogj 3zso 1lpg 1g2k 4gr0 2qnq 2v7a 4x6p 3o9i 3gnw 2yge \n2 1g2k 3o9i 2qnq 4w9l 3gnw 3zso 4x6p 1lpg 4tmn 3tsk 3nw9 2p4y \n3 2vkm 3bv9 2brb 1g2k 4rfm 3qgy 3o9i 2br1 3zso 3myg 4w9l 4gr0 \n4 1g2k 3o9i 3gnw 2vkm 2qnq 4gid 4cra 1k1i 3zso 3nw9 4gr0 4ty7 \n5 2vkm 4ogj 4w9l 3o9i 3zso 1z6e 1k1i 2qnq 2p4y 1nvq 4gr0 4x6p \n6 2vkm 4gid 3gnw 2qnq 4gr0 3zso 1lpg 4w9l 2yge 2p4y 1z6e 4ogj \n7 4ogj 3utu 1g2k 3qgy 3gnw 3o9i 4gr0 3e93 3zso 2wtv 2qnq 4rfm \n8 3zso 1nvq 2vkm 4gid 4w9l 2yge 4x6p 2qnq 4gr0 3arq 3b1m 1lpg \n9 3bv9 1g2k 4gr0 4x6p 1z6e 1lpg 3zso 4w9l 2qbp 4crc 4cra 3tsk \n10 1g2k 2vkm 4gid 2yge 3zso 3tsk 4crc 2p4y 4w9l 1nvq 3p5o 1lpg \n11 3o9i 4gid 4e5w 2vkm 1g2k 1lpg 3nw9 4crc 4ty7 2yge 2qnq 4gr0 \n12 4gid 3zso 2qnq 4gr0 4x6p 2vkm 1nvq 2p4y 4w9l 2qbp 1lpg 1z6e \n13 3utu 4gr0 3prs 2vkm 3nw9 3zso 1g2k 3arq 1k1i 4gid 1nvq 2x00 \n14 1g2k 4gr0 3o9i 4w9l 3zso 2qnq 3nw9 4x6p 1lpg 2p4y 2xbv 4crc \n15 3o9i 3gnw 2qnq 4gr0 4crc 3zso 4x6p 4w9l 1lpg 2yge 3b1m 3tsk \n16 4gid 2qnq 4w9l 3o9i 3zso 4gr0 2yge 1nvq 3arq 3nw9 4cig 2p4y \n17 3nw9 4gr0 2qbp 4tmn 2yge 4w9l 3zso 1h23 2vw5 3coy 1nvq 1g2k \n18 3gnw 4gr0 3o9i 3zso 2qnq 2vkm 1g2k 3b1m 1k1i 2yge 1nvq 4ty7 \n19 1g2k 3gnw 3zso 3o9i 2qnq 1lpg 4w9l 3nw9 2p4y 4x6p 1z6e 3b1m \n20 3gnw 3bv9 3arq 3o9i 2qnq 3zso 2yge 4ogj 4gid 4eky 2vkm 2xii \n21 3bv9 3zso 2vkm 3ge7 1g2k 3gnw 2yge 4w9l 2qnq 4ivd 1lpg 4crc \n22 3o9i 4gr0 3tsk 1nvq 1z6e 3zso 3gnw 4crc 4w9l 4x6p 3e93 1lpg \n23 2vkm 3zso 3o9i 1lpg 4w9l 2qnq 4gr0 4cig 3nw9 3b1m 1nvq 3arq \n24 4gid 1g2k 2qnq 4x6p 3zso 4gr0 4w9l 1lpg 2p4y 1z6e 4cig 4crc \n25 4gr0 2vkm 4gid 1g2k 1nvq 2qbp 3zso 3o9i 3nw9 1lpg 3gnw 1z6e \n26 4gid 2vkm 4ogj 3o9i 1g2k 4gr0 4e5w 3zso 3gnw 3nw9 4ivc 4ivb \n27 1g2k 4w9l 3zso 2qnq 4rfm 4x6p 4tmn 4gr0 3nw9 3gnw 4cra 1lpg \n28 3zso 3o9i 2vkm 2qnq 4x6p 4gr0 2yge 4w9l 4crc 1lpg 3arq 4cig \n29 3utu 3uo4 3bv9 3e5a 1lpg 4eor 4ivd 4crc 3o9i 4gid 4ivc 4w9l \n30 2v7a 4ivb 2br1 4ivc 4x6p 3utu 3bv9 4e5w 1lpg 1g2k 2vkm 4e6q \n31 3qgy 3bv9 1g2k 3utu 4gid 4eor 3o9i 2vkm 4w9l 3uo4 4gr0 1lpg \n32 4e5w 3prs 3bv9 1g2k 3qgy 2vkm 3up2 2wtv 4eor 4x6p 3nw9 4ivc \n33 3o9i 4gr0 2qnq 3gnw 4w9l 3zso 1lpg 3tsk 4crc 2p4y 4cra 4x6p \n34 3prs 2vkm 3gnw 3o9i 1g2k 3nw9 2br1 3zso 2yge 4w9l 4cra 2zda \n35 2vkm 1g2k 3zso 1lpg 2qnq 4gr0 4w9l 4x6p 1z6e 2yge 2p4y 3b1m \n36 3utu 4eor 1g2k 4gid 3bv9 2xnb 2yge 4rfm 2wtv 4ivd 2qnq 2brb \n37 4w9l 1k1i 2p4y 3prs 4gid 1z6e 1g2k 2qnq 2vkm 3zso 3qgy 4gr0 \n38 2yge 4gid 3bv9 2vkm 4crc 1lpg 4x6p 1k1i 4tmn 3gnw 2qbp 3nw9 \n39 2vkm 4gid 1g2k 1lpg 2qnq 4w9l 3nw9 4x6p 4crc 3zso 1k1i 3tsk \n40 3pww 4gid 1g2k 4gr0 2vkm 2qnq 4cig 4w9l 4tmn 3arq 2yge 1k1i \n41 2yge 1nvq 1eby 3nw9 1g2k 3gnw 2vw5 2qnq 4tmn 1k1i 3ge7 3oe4 \n42 1g2k 2vkm 1lpg 4w9l 3zso 3o9i 2qnq 4cig 2p4y 3b1m 2x00 2v7a \n43 2vkm 3prs 3nw9 1g2k 1nvq 2qnq 4w9l 2yge 5tmn 4gr0 2qbp 4w9h \n44 2vkm 3pww 2qnq 3zso 1nvq 1k1i 3arq 4w9l 4tmn 4cig 3nw9 1lpg \n45 3bv9 1z6e 2xbv 1g2k 2qnq 3gnw 4w9l 4gr0 1lpg 3zso 2br1 4cra \n46 3o9i 3nw9 1g2k 3zso 1z6e 4x6p 1k1i 4w9h 4gr0 2yge 2qnq 3tsk \n47 1z6e 1k1i 3gnw 3pww 3bv9 1sqa 1g2k 3coz 3nw9 2qbp 1nvq 4gid \n48 2vkm 3gnw 2qnq 2yge 4w9l 4gr0 4x6p 3zso 1k1i 1nvq 4ogj 4crc \n49 4gr0 4ogj 2qnq 4w9l 4gid 1nvq 3qgy 2vkm 1lpg 3gnw 2xnb 3zso \n50 3o9i 1g2k 4gr0 3zso 4w9l 1lpg 2p4y 2qnq 4x6p 3e93 2xbv 1nvq \n51 2vkm 1g2k 2qnq 3zso 3o9i 4gr0 4x6p 3e93 1lpg 4w9l 3tsk 3oe4 \n52 4gid 3zso 3o9i 2vkm 2qnq 4w9l 3tsk 1lpg 4x6p 4crc 3nw9 2p4y \n53 3prs 4x6p 4w9l 1lpg 2yge 4gid 3zso 4gr0 2qnq 3arq 2qbp 2p4y \n54 2vkm 1eby 3o9i 3zso 4crc 1g2k 3nw9 3gnw 3tsk 2p4y 2qbp 2qnq \n55 3o9i 3gnw 3zso 2vkm 2qnq 3tsk 4w9l 1lpg 4x6p 3nw9 3b1m 1nvq \n56 4gr0 4w9l 3gnw 3bv9 2qnq 4x6p 3tsk 1lpg 4crc 3nw9 2v7a 4ogj \n57 2vkm 3gnw 3o9i 1nvq 1lpg 4x6p 3zso 3nw9 4crc 2qnq 1z6e 4ogj \n\n 24 25 26 27 28 29 \n1 3tsk 4crc 3nw9 2p4y 3e93 4qd6 \n2 4crc 1nvq 1z6e 4cra 2qbp 4ogj \n3 4ogj 4qd6 4eor 3b1m 2qnq 4ivc \n4 1z6e 1nvq 4w9l 3coz 3tsk 2p4y \n5 2yge 3b1m 3arq 4crc 1lpg 3nw9 \n6 4crc 4x6p 4tmn 4cra 3arq 3tsk \n7 4x6p 4cra 2xnb 3tsk 1nvq 2p4y \n8 4cra 4crc 3nw9 2x00 3tsk 2p4y \n9 3gnw 1k1i 3nw9 1nvq 2p4y 1h23 \n10 4ogj 4gr0 4tmn 4x6p 1z6e 2vw5 \n11 4x6p 2p4y 3coy 1k1i 4cig 4w9l \n12 2yge 4cig 1k1i 2wtv 2x00 3arq \n13 2p4y 3o9i 4ty7 1z6e 3tsk 4cig \n14 3tsk 4rfm 3e93 2qbp 2yge 1nvq \n15 2p4y 3arq 1nvq 4rfm 4cra 1z6e \n16 3tsk 5tmn 1lpg 1z6e 1k1i 4ogj \n17 2qnq 3gnw 1ydt 1k1i 4ogj 3tsk \n18 4cra 4tmn 3tsk 2x00 3nw9 2p4y \n19 3tsk 1nvq 4ogj 4crc 4cra 3e93 \n20 4ivb 1lpg 4ivd 4gr0 4eor 1k1i \n21 3arq 4gr0 1nvq 4ivc 3nw9 2p4y \n22 3nw9 2qnq 4ogj 2p4y 4cra 3b1m \n23 2p4y 2yge 2x00 4x6p 3tsk 4crc \n24 3b1m 3nw9 2yge 3arq 1nvq 4rfm \n25 2qnq 2p4y 4w9l 4tmn 2xbv 3e93 \n26 2qnq 1yc1 4eor 4ivd 2qbp 4e6q \n27 3tsk 4crc 2p4y 4w9i 2xbv 1mq6 \n28 2p4y 1k1i 1nvq 3nw9 4ogj 3tsk \n29 2brb 3myg 2vkm 4e5w 4ivb 3gnw \n30 3gnw 3zso 4w9l 4eor 3nw9 2qnq \n31 3zso 3gnw 4ivd 3up2 2qnq 4e5w \n32 2qbp 3zso 3o9i 4ivb 4ogj 2br1 \n33 1nvq 1z6e 4cig 1k1i 3b1m 3arq \n34 1oyt 1z6e 4gr0 4crc 1nvq 4e5w \n35 4crc 3nw9 4ogj 3tsk 4cra 4rfm \n36 2vkm 2p4y 3zso 3gnw 4e5w 4x6p \n37 3e5a 3p5o 4crc 1sqa 4cig 3arq \n38 1nvq 4w9l 4gr0 3coz 3ivg 3e5a \n39 2yge 4cra 2yki 2p4y 3b1m 2xbv \n40 3tsk 2qbp 2wtv 1lpg 4x6p 3b1m \n41 1lpg 2wtv 1o0h 4gid 2vkm 2qbp \n42 3arq 1z6e 2yge 3tsk 3nw9 1nvq \n43 4tmn 4w9i 1k1i 2qbr 3e5a 4ogj \n44 4gr0 2yge 5tmn 3b1m 4x6p 3zsx \n45 3nw9 3arq 4crc 1mq6 3tsk 4x6p \n46 3b1m 3arq 4cra 4w9l 1nvq 4cig \n47 4cra 4ty7 3ivg 2xbv 3zso 3arq \n48 3arq 2br1 1lpg 4eor 2p4y 3nw9 \n49 1z6e 4rfm 4eor 2yge 2p4y 4x6p \n50 3nw9 3tsk 4cra 4crc 4ty7 2qbp \n51 4cra 2xbv 1z6e 4crc 4tmn 1k1i \n52 4cig 2yge 1z6e 4cra 3b1m 2qbp \n53 4ogj 1nvq 4cra 4crc 3nw9 4cig \n54 2v7a 3e93 4x6p 2xbv 4ogj 3ozs \n55 2x00 2yge 2p4y 4crc 4ogj 4tmn \n56 1z6e 4cra 2qbp 3zso 2yge 3e93 \n57 3e93 4rfm 4tmn 4w9l 2p4y 3tsk \n\nSummary of the forward screening power: =========================================================\nAverage enrichment factor among top 1% = 2.90\nAverage enrichment factor among top 5% = 2.12\nAverage enrichment factor among top 10% = 2.02\nThe best ligand is found among top 1% candidates for 7 cluster(s); success rate = 12.3%\nThe best ligand is found among top 5% candidates for 13 cluster(s); success rate = 22.8%\nThe best ligand is found among top 10% candidates for 25 cluster(s); success rate = 43.9%\n================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Forward_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/57;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Forward_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_CASF2016/ScreeningPower_DeepDock_all/ReverseScreeningPower_DeepDock_all.out", "content": " code 1 2 3 4 5 6\n1 4llx 3nw9 2p4y 3o9i 4agq 5c2h 4gr0\n2 5c28 3o9i 3nw9 3e93 4gid 4agq 3kr8\n3 3uuo 2fvd 4jia 3myg 3o9i 3ebp 4agq\n4 3ui7 4jia 2fvd 3o9i 3myg 4gid 1nvq\n5 5c2h 4ivc 3ge7 4gid 3kr8 3o9i 4twp\n6 2v00 3e93 4agq 2p4y 3o9i 4ivc 3nw9\n7 3wz8 2p4y 4gid 3o9i 3e93 4jia 2fvd\n8 3pww 3o9i 4gid 4jia 2p4y 5c2h 3e93\n9 3prs 3o9i 4gid 2p4y 3e93 4jia 5c2h\n10 3uri 4gid 2p4y 3o9i 3qqs 3e93 3arp\n11 4m0z 4ivc 1sqa 3ge7 3myg 3nw9 4jia\n12 4m0y 3kr8 4ivc 4jia 3ge7 3nw9 4agq\n13 3qgy 4jia 2fvd 1nvq 3kr8 4ivc 4twp\n14 4qd6 4gid 2p4y 4jia 4rfm 5c2h 3qqs\n15 4rfm 4jia 4gid 3myg 3o9i 2p4y 4rfm\n16 4cr9 4ivc 3o9i 4jia 3myg 3kr8 3utu\n17 4cra 3o9i 4gid 3e93 2p4y 2yki 3nw9\n18 4x6p 3o9i 4gid 3ge7 4ivc 2p4y 3ag9\n19 4crc 3ag9 3o9i 2fvd 4gid 3e93 2p4y\n20 4ty7 4gid 3o9i 4jia 2p4y 3ge7 2x00\n21 5aba 2p4y 4gid 3qqs 3o9i 3e93 4agq\n22 5a7b 4gid 3e93 3o9i 5c2h 2p4y 4jia\n23 4agn 3o9i 3kr8 3e93 2p4y 4gid 4jia\n24 4agp 4gid 3e93 3o9i 2p4y 5c2h 2fvd\n25 4agq 4gid 3o9i 3e93 2p4y 5c2h 3kr8\n26 3bgz 4ivc 2yki 3ge7 4jia 3o9i 2fvd\n27 3jya 3o9i 3ge7 4gid 2fvd 2p4y 3e93\n28 2c3i 3kr8 4jia 1nvq 4twp 2fvd 4rfm\n29 4k18 2fvd 4ivc 3kr8 1nvq 4agq 4jia\n30 5dwr 4jia 3o9i 2fvd 4gid 2p4y 3qqs\n31 3mss 4gid 4agq 2p4y 2fvd 4ivc 3e93\n32 3k5v 4gid 3o9i 2p4y 2fvd 3qqs 4jia\n33 3pyy 4gid 3nw9 3e93 2fvd 4ivc 3ebp\n34 2v7a 2fvd 4jia 3myg 4twp 1nvq 3kr8\n35 4twp 4twp 1nvq 2p4y 4jia 3myg 4gid\n36 3wtj 3nw9 4agq 4gid 3o9i 4ivc 4jia\n37 3zdg 4agq 3e93 4gid 3nw9 3o9i 2p4y\n38 3u8k 4agq 3e93 3nw9 3o9i 4gid 4ivc\n39 4qac 2p4y 4agq 4gid 3nw9 3e93 3o9i\n40 3u8n 4agq 3e93 4gid 4jia 3nw9 3o9i\n41 1a30 4gid 3qqs 3o9i 2p4y 2yki 4jia\n42 2qnq 3o9i 4gid 2p4y 4jia 3e93 2yki\n43 1g2k 4gid 3o9i 4jia 2p4y 3e93 3qqs\n44 1eby 3o9i 4gid 4jia 2p4y 3e93 2fvd\n45 3o9i 3o9i 2p4y 4ivc 4gid 4jia 3e93\n46 4lzs 4jia 3myg 2fvd 1nvq 3ge7 4ivc\n47 3u5j 3nw9 3utu 3myg 4rfm 4gid 4agq\n48 4wiv 4jia 3o9i 4gid 2fvd 3ge7 4twp\n49 4ogj 2fvd 4jia 4ivc 3myg 3ge7 4gid\n50 3p5o 3ge7 1sqa 3p5o 3o9i 4gid 4rfm\n51 1ps3 3kr8 1nvq 4ivc 3ag9 3ejr 3nw9\n52 3dx1 3o9i 3e93 2fvd 2p4y 3ge7 3ag9\n53 3d4z 3kr8 2fvd 3ejr 4jia 3o9i 3ag9\n54 3dx2 3e93 3kr8 4gid 2p4y 3ag9 3o9i\n55 3ejr 3ge7 4ivc 1nvq 3kr8 4gid 4jia\n56 3l7b 3nw9 4jia 2fvd 3ag9 4ivc 4gid\n57 4eky 3nw9 3kr8 3ge7 4pcs 3myg 3dd0\n58 3g2n 4jia 3ag9 3ge7 3utu 3nw9 2yki\n59 3syr 3ejr 4jia 3nw9 3utu 2yki 3ge7\n60 3ebp 4ivc 4jia 2fvd 3kr8 3myg 4gid\n61 2w66 3e93 2p4y 4gid 3o9i 4jia 4agq\n62 2w4x 4gid 4agq 3e93 3qqs 3o9i 2p4y\n63 2wca 2fvd 4agq 4gid 4jia 3qqs 3ge7\n64 2xj7 3o9i 3nw9 3e93 3ge7 4pcs 4gid\n65 2vvn 3ge7 3nw9 3e93 3o9i 4agq 2p4y\n66 3aru 4gid 4agq 3ge7 3nw9 3kr8 3o9i\n67 3arv 4agq 3qqs 3e93 2r9w 3ge7 3o9i\n68 3ary 3nw9 4agq 2fvd 3ge7 3ebp 3u8n\n69 3arq 3ge7 2p4y 4jia 3qqs 3o9i 4gid\n70 3arp 3o9i 4gid 3e93 5c2h 2p4y 3qqs\n71 4ih5 4ivc 3ge7 3nw9 4agq 3utu 3kr8\n72 4ih7 4gid 2fvd 3u8n 3e93 1nvq 4agq\n73 3cj4 3o9i 3e93 3ge7 4jia 4gid 3qqs\n74 4eo8 4gid 3e93 2p4y 3qqs 3o9i 4jia\n75 3gnw 2p4y 4gid 3qqs 2x00 2yki 4jia\n76 1gpk 3e93 3o9i 2p4y 4gid 4jia 3nw9\n77 1gpn 3o9i 3e93 2p4y 4jia 2yki 3myg\n78 1h23 3o9i 5c2h 2p4y 3e93 4gid 4jia\n79 1h22 4gid 3e93 3o9i 2p4y 3qqs 2yki\n80 1e66 2yki 4agq 3kr8 4jia 3myg 1sqa\n81 3f3a 3e93 4agq 3qqs 4gid 3u8n 2p4y\n82 3f3c 4gid 2p4y 3e93 4agq 3o9i 2fvd\n83 4mme 3e93 4gid 4agq 3qqs 2p4y 3o9i\n84 3f3d 4gid 3o9i 4agq 3qqs 2p4y 3e93\n85 3f3e 4gid 3e93 3nw9 3qqs 3o9i 2p4y\n86 2wbg 3ge7 3utu 3myg 3ejr 2fvd 4jia\n87 2cbv 2p4y 3e93 3o9i 2yki 4gid 3ag9\n88 2j78 3kr8 3ejr 3ge7 4agq 3myg 4ivc\n89 2j7h 3kr8 3ejr 3nw9 4gid 3ag9 4agq\n90 2cet 4jia 2yki 3ejr 2fvd 4ivc 3nw9\n91 3udh 4jia 3e93 2p4y 4gid 4twp 3ge7\n92 3rsx 4agq 3o9i 3ge7 3nw9 4ivc 2fvd\n93 4djv 3ge7 4ivc 4agq 4gid 4jia 3nw9\n94 2vkm 4gid 3o9i 3e93 2p4y 5c2h 4jia\n95 4gid 4gid 3o9i 2p4y 4ivc 4jia 3e93\n96 4jfs 4agq 3e93 3o9i 4gid 3qqs 4ivc\n97 4j28 4gid 3e93 3nw9 4agq 3qqs 2p4y\n98 2wvt 4gid 2p4y 3e93 3o9i 3coy 3kr8\n99 2xii 4jia 4twp 3kr8 4agq 2yki 3o9i\n100 4pcs 4agq 4gid 3ebp 3qqs 4ivc 3ge7\n101 3rr4 4jia 3ge7 3kr8 1nvq 4agq 4ivc\n102 1s38 3nw9 4ivc 4jia 4agq 2fvd 3ag9\n103 1r5y 3ge7 3ag9 4ivc 4jia 3kr8 1nvq\n104 3gc5 3ge7 1nvq 4ivc 3kr8 2fvd 3myg\n105 3ge7 3ge7 4ivc 4jia 1nvq 3myg 2yki\n106 4dli 4agq 3o9i 3nw9 4ivc 2fvd 4gid\n107 2zb1 3o9i 3nw9 4gid 2p4y 4twp 4agq\n108 4f9w 2fvd 4agq 3o9i 3e93 4jia 4gid\n109 3e92 3o9i 4gid 3ge7 4ivc 2p4y 4agq\n110 3e93 3e93 4gid 3o9i 3nw9 2x00 4twp\n111 4owm 3kr8 3ag9 3ejr 3nw9 4gid 4agq\n112 3twp 4gid 4agq 2p4y 3nw9 3e93 3kr8\n113 3r88 3e93 3o9i 3qqs 2p4y 4gid 4ivc\n114 4gkm 3e93 3qqs 3o9i 2p4y 4agq 4jia\n115 3qqs 3e93 3nw9 3qqs 4agq 2p4y 3ejr\n116 3gv9 3nw9 3o9i 4gid 4ivc 3zso 3e93\n117 3gr2 3e93 3o9i 3qqs 2p4y 4twp 4agq\n118 4kz6 4gid 3e93 3nw9 2p4y 3o9i 2yki\n119 4jxs 4ivc 3e93 4agq 3o9i 2p4y 4gid\n120 2r9w 3qqs 2p4y 3e93 4gid 2fvd 3o9i\n121 2hb1 4gid 3o9i 3utu 4jia 2p4y 3e93\n122 1bzc 3o9i 3e93 4gid 2p4y 4ivc 4agq\n123 2qbr 3o9i 4gid 2fvd 1nvq 4jia 3ge7\n124 2qbq 3o9i 4ivc 4jia 3ge7 3e93 4gid\n125 2qbp 3o9i 1nvq 4jia 4gid 3e93 2p4y\n126 1q8t 4jia 3ge7 3nw9 4ivc 2fvd 1nvq\n127 1ydr 4ivc 1nvq 3ge7 3myg 3ag9 3kr8\n128 1q8u 4jia 2fvd 1nvq 3nw9 3ag9 3myg\n129 1ydt 4jia 4ivc 1nvq 2fvd 3myg 3o9i\n130 3ag9 3o9i 2p4y 4gid 3ag9 3qqs 3e93\n131 3fcq 2p4y 3o9i 4agq 3e93 4gid 3qqs\n132 1z9g 3e93 4agq 4gid 3qqs 2p4y 3o9i\n133 1qf1 4gid 2p4y 3e93 3qqs 4agq 3o9i\n134 5tmn 3o9i 4gid 5c2h 2p4y 3qqs 4jia\n135 4tmn 3o9i 2p4y 3e93 4gid 4jia 3nw9\n136 4ddk 3o9i 4gid 3e93 4agq 3qqs 2p4y\n137 4ddh 4agq 4gid 3o9i 3e93 2p4y 3u8n\n138 3ivg 3o9i 4jia 4ivc 3myg 3utu 3ge7\n139 3coz 4jia 3ge7 4ivc 3o9i 4gid 3nw9\n140 3coy 4jia 3myg 4ivc 3o9i 3nw9 4twp\n141 3pxf 3e93 3o9i 3qqs 4agq 2yki 3nw9\n142 4eor 4jia 2fvd 3myg 1nvq 4ivc 3kr8\n143 2xnb 3myg 2fvd 4jia 3kr8 4twp 4ivc\n144 1pxn 4jia 3myg 2fvd 1nvq 4twp 3ag9\n145 2fvd 2p4y 2fvd 1nvq 4gid 3o9i 4twp\n146 4k77 4jia 2fvd 4ivc 3nw9 1nvq 3ge7\n147 4e5w 1nvq 4ivc 4jia 2fvd 3myg 3ag9\n148 4ivb 4ivc 2fvd 1nvq 4jia 3myg 3ag9\n149 4ivd 4ivc 1nvq 4jia 2fvd 3myg 3ge7\n150 4ivc 4ivc 2fvd 4jia 1nvq 3myg 3ge7\n151 4f09 2fvd 4ivc 4jia 3myg 1nvq 3ag9\n152 4gfm 3nw9 2fvd 4ivc 4jia 3ejr 3dd0\n153 4hge 4jia 4rfm 3myg 1nvq 4ivc 3ag9\n154 4e6q 4jia 4ivc 1nvq 3ge7 2fvd 3myg\n155 4jia 2fvd 3kr8 4gid 4jia 4ivc 2p4y\n156 2brb 2fvd 3myg 4rfm 1nvq 4jia 3ag9\n157 2br1 4jia 4ivc 3myg 1nvq 4rfm 2fvd\n158 3jvr 4gid 2p4y 3e93 3qqs 3ge7 3o9i\n159 3jvs 3o9i 2p4y 4gid 3e93 3qqs 3nw9\n160 1nvq 4jia 1nvq 2fvd 4ivc 3myg 4rfm\n161 3acw 4agq 2p4y 4gid 4jia 2fvd 3e93\n162 4ea2 4gid 2p4y 3o9i 3e93 4jia 3ge7\n163 2zcr 4gid 3o9i 2p4y 3e93 2yki 4jia\n164 2zy1 3nw9 4agq 3o9i 2p4y 4gid 4jia\n165 2zcq 4gid 4agq 2p4y 3e93 3o9i 3qqs\n166 1bcu 4agq 3e93 3qqs 4gid 3ge7 3o9i\n167 3bv9 4gid 3o9i 2p4y 4jia 3e93 3qqs\n168 1oyt 3ge7 4gid 4jia 4ivc 3utu 3o9i\n169 2zda 3utu 4twp 4gid 3ge7 3o9i 3nw9\n170 3utu 3e93 3o9i 3utu 4gid 2p4y 3qqs\n171 3u9q 4agq 3e93 3u8n 4gid 3qqs 3nw9\n172 2yfe 3qqs 4gid 3e93 4jia 2p4y 3o9i\n173 3fur 4gid 3ge7 3o9i 2p4y 3e93 4ivc\n174 3b1m 4gid 2p4y 3e93 3o9i 3qqs 4agq\n175 2p4y 4gid 4jia 2p4y 3o9i 3e93 3myg\n176 3uo4 4jia 2fvd 1nvq 4gid 3myg 4twp\n177 3up2 4jia 1nvq 4ivc 2fvd 3ag9 3myg\n178 3e5a 2fvd 4jia 4gid 4ivc 3o9i 2p4y\n179 2wtv 4jia 1nvq 3myg 4gid 2p4y 3o9i\n180 3myg 3myg 2fvd 4jia 4rfm 4gid 3kr8\n181 3kgp 4gid 4agq 3nw9 3e93 5c2h 3o9i\n182 1c5z 3nw9 3utu 4jia 1o3f 4ivc 1sqa\n183 1o5b 4ivc 1sqa 3myg 1o3f 4jia 1nvq\n184 1owh 4jia 3o9i 4gid 1sqa 1o3f 2yki\n185 1sqa 3o9i 4gid 4jia 1sqa 3ge7 4ivc\n186 4jsz 3o9i 4agq 3nw9 3ejr 1sqa 4gid\n187 3kwa 3e93 2p4y 4agq 4gid 3qqs 3o9i\n188 2weg 3kr8 3nw9 3o9i 1nvq 4agq 3ge7\n189 3ryj 3nw9 4jia 3ge7 4agq 4ivc 4twp\n190 3dd0 4ivc 3nw9 3dd0 2fvd 3ge7 4agq\n191 2xdl 3o9i 3e93 4gid 4twp 3qqs 2fvd\n192 3b27 4ivc 2fvd 3ge7 3kr8 3o9i 2yki\n193 1yc1 4ivc 4jia 2fvd 3ag9 4rfm 3myg\n194 3rlr 1nvq 2yki 3ge7 4ivc 3e93 4gid\n195 2yki 3e93 2yki 4gid 3o9i 4jia 1nvq\n196 1z95 3o9i 2p4y 3qqs 3e93 4gid 2fvd\n197 3b68 3o9i 4gid 3e93 2p4y 3qqs 3nw9\n198 3b5r 3o9i 2p4y 3qqs 4agq 3e93 4gid\n199 3b65 3e93 4gid 3nw9 3qqs 2p4y 3o9i\n200 3g0w 3nw9 4jia 4agq 4ivc 3o9i 4gid\n201 4u4s 3o9i 4gid 2p4y 3e93 4agq 4jia\n202 1p1q 3e93 3nw9 4gid 3ejr 2p4y 4tmn\n203 1syi 4gid 3e93 2p4y 3qqs 3o9i 4ivc\n204 1p1n 2p4y 2yki 3e93 3ge7 4agq 3qqs\n205 2al5 4gid 4agq 2p4y 3e93 3nw9 2yki\n206 3g2z 4gid 4agq 3e93 3o9i 3nw9 2p4y\n207 3g31 3o9i 3e93 4jia 2yki 2p4y 3qqs\n208 4de2 3nw9 3ge7 4jia 4gid 3o9i 3utu\n209 4de3 3ge7 4ivc 3nw9 4agq 4jia 2p4y\n210 4de1 4jia 3nw9 1nvq 4twp 4agq 4ivc\n211 1vso 2p4y 3e93 3qqs 4gid 4agq 3o9i\n212 4dld 4ivc 3e93 4jia 4gid 2fvd 4agq\n213 3gbb 2p4y 3e93 4gid 3o9i 3nw9 3qqs\n214 3fv2 3o9i 3e93 4agq 2p4y 4gid 3nw9\n215 3fv1 3e93 2p4y 3o9i 3nw9 1e66 4gid\n216 4mgd 4agq 4gid 2fvd 4jia 3e93 3o9i\n217 2qe4 4jia 2fvd 3ge7 3nw9 1nvq 4gid\n218 1qkt 4jia 2fvd 4agq 3ge7 4ivc 3e93\n219 2pog 4jia 2fvd 3nw9 4ivc 1nvq 3ge7\n220 2p15 3o9i 3nw9 4jia 2p4y 4gid 4twp\n221 2y5h 2p4y 4gid 3o9i 5c2h 4jia 3nw9\n222 1lpg 4gid 3o9i 2p4y 1nvq 3utu 4jia\n223 2xbv 4jia 4gid 3o9i 4ivc 2p4y 3e93\n224 1z6e 3o9i 4gid 3e93 4jia 2p4y 4agq\n225 1mq6 4jia 3o9i 2fvd 2p4y 4gid 3e93\n226 1nc3 3nw9 4agq 3qqs 3e93 3o9i 3ge7\n227 1nc1 4ivc 4jia 2fvd 3nw9 3ag9 3myg\n228 1y6r 2fvd 4ivc 4jia 3nw9 3myg 3ag9\n229 4f2w 4ivc 4jia 1nvq 3ge7 3ag9 3nw9\n230 4f3c 4ivc 4jia 2fvd 1nvq 3ge7 3nw9\n231 1uto 3nw9 4agq 3kr8 3e93 3utu 4jia\n232 4abg 1sqa 3nw9 3utu 4agq 3e93 4ivc\n233 3gy4 3nw9 3ag9 3utu 1sqa 4ivc 1o3f\n234 1k1i 3o9i 3utu 4jia 4agq 2fvd 3myg\n235 1o3f 1o3f 3ge7 3nw9 4ivc 4jia 1sqa\n236 2yge 3ge7 4jia 2p4y 3myg 4gid 3e93\n237 2fxs 4jia 2fvd 4ivc 1nvq 3ag9 5c2h\n238 2iwx 2yki 1nvq 3kr8 4ivc 4agq 4jia\n239 2wer 2yki 4rfm 3ag9 1sqa 3kr8 4ivc\n240 2vw5 4ivc 4jia 3o9i 2p4y 4gid 3e93\n241 4kzq 3kr8 4ivc 4jia 3myg 3ag9 2fvd\n242 4kzu 3kr8 3myg 1nvq 4jia 4twp 2fvd\n243 4j21 3kr8 3myg 3ag9 4ivc 4jia 3nw9\n244 4j3l 3kr8 4ivc 3ge7 3myg 4gid 4jia\n245 3kr8 3kr8 2fvd 1nvq 3myg 4jia 4ivc\n246 2ymd 3o9i 4agq 3utu 4jia 3myg 2fvd\n247 2wnc 3e93 4agq 3nw9 4jia 3kr8 3ge7\n248 2xys 3e93 4jia 4gid 2p4y 3qqs 3ge7\n249 2wn9 3qqs 3o9i 3nw9 4gid 3e93 3ge7\n250 2x00 3e93 3qqs 2p4y 3o9i 3myg 4jia\n251 3ozt 4gid 2p4y 3o9i 3e93 3nw9 3qqs\n252 3ozs 3o9i 4gid 3nw9 4ivc 2p4y 3kr8\n253 3oe5 4gid 4jia 3o9i 3kr8 3e93 3myg\n254 3oe4 3o9i 3nw9 4gid 3e93 3kr8 4jia\n255 3nw9 3nw9 4gid 4jia 3o9i 3e93 2p4y\n256 3ao4 3nw9 4agq 3ge7 3o9i 4gid 3u8n\n257 3zt2 3qqs 4ivc 3e93 4agq 3o9i 4twp\n258 3zsx 3o9i 2p4y 4gid 3ge7 3nw9 4jia\n259 4cig 3qqs 3o9i 4jia 3e93 4gid 3ge7\n260 3zso 4gid 2p4y 3o9i 3e93 4jia 3ge7\n261 3n7a 3kr8 3nw9 4agq 3ejr 2p4y 2yki\n262 4ciw 3nw9 3kr8 3utu 3ge7 3o9i 3e93\n263 3n86 2yki 3ge7 1nvq 3o9i 3nw9 4jia\n264 3n76 4agq 4ivc 3o9i 3nw9 3kr8 3ge7\n265 2xb8 3kr8 3nw9 2yki 4jia 3e93 1sqa\n266 4bkt 4agq 3ejr 3kr8 4jia 3ge7 4rfm\n267 4w9c 4jia 3o9i 2p4y 4ivc 4gid 1nvq\n268 4w9l 4gid 4jia 3o9i 2p4y 5c2h 3e93\n269 4w9i 3o9i 4gid 2p4y 3e93 3qqs 4ivc\n270 4w9h 4gid 4jia 2p4y 3o9i 1nvq 3myg\n271 3nq9 4agq 3e93 3o9i 4gid 2p4y 4twp\n272 3ueu 4agq 3o9i 3qqs 4gid 2p4y 4twp\n273 3uev 4agq 3e93 3ge7 4gid 2p4y 3o9i\n274 3uew 4agq 2p4y 3e93 3qqs 4gid 4ivc\n275 3uex 2p4y 3qqs 4gid 3o9i 4jia 3e93\n276 3lka 3nw9 3o9i 4jia 2fvd 3ag9 3dd0\n277 3ehy 4gid 3e93 4agq 3nw9 4jia 3qqs\n278 3tsk 3e93 4gid 3o9i 2p4y 5c2h 4jia\n279 3nx7 3e93 4agq 3o9i 4gid 3nw9 3ge7\n280 4gr0 4gid 3o9i 3e93 4jia 2p4y 2yki\n281 3dxg 3e93 4gid 2yki 2p4y 3nw9 3ge7\n282 3d6q 3kr8 3ge7 1nvq 2fvd 3e93 3myg\n283 1w4o 3o9i 3nw9 3kr8 2p4y 3ge7 3e93\n284 1o0h 4jia 4ivc 3kr8 3ge7 1sqa 2fvd\n285 1u1b 4gid 3o9i 3e93 2p4y 3nw9 4jia\n\nSummary of the reverse screening power: =========================================================\nThe best target is found among top 1% candidates for 24 ligand(s); success rate = 8.4%\nThe best target is found among top 5% candidates for 56 ligand(s); success rate = 19.6%\nThe best target is found among top 10% candidates for 81 ligand(s); success rate = 28.4%\n=================================================================================================\n\nTemplate command for running the bootstrap in R program=========================================\n\nrm(list=ls());\nrequire(boot);\ndata_all<-read.table(\"Reverse_DeepDock_Top1.results\",header=TRUE);\ndata<-as.matrix(data_all[,2]);\nmymean<-function(x,indices) sum(x[indices])/285;\ndata.boot<-boot(aa,mymean,R=10000,stype=\"i\",sim=\"ordinary\");\nsink(\"Reverse_DeepDock_Top1-ci.results\");\na<-boot.ci(data.boot,conf=0.9,type=c(\"bca\"));\nprint(a);\nsink();\n\n===============================================================================================\n\n" }, { "path": "Validation_Docking/DockingResults_CASF2016_CoreSet.csv", "content": "x,fun,nfev,nit,message,success,num_MixOfGauss,rmsd,pdb_id,score_real_mol,pkx,num_atoms,num_rotbonds,rotbonds\n\"[ 1.50630673 0.21337044 1.5088427 -18.41747031 -33.6385602\n 1.92812724 -0.88265131 3.04713196 -1.00948303 -0.93209668\n 1.72233247]\",[-70.16544232],38392,237,Optimization terminated successfully.,True,409,2.0997267997096682,4k18,64.2537435522761,,29,5,\"[(7, 6, 5, 0), (8, 7, 6, 5), (11, 13, 16, 17), (19, 18, 16, 13), (20, 19, 18, 16)]\"\n\"[ -3.13185302 -0.73194959 3.08979934 -51.39989706 -46.1855399\n 30.40841204 -2.22170657 1.69405024 1.61840752]\",[-97.24881674],15747,98,Optimization terminated successfully.,True,375,1.293287641539268,4qac,83.28442070134905,,24,3,\"[(8, 7, 6, 0), (15, 14, 13, 8), (16, 17, 18, 19)]\"\n\"[-2.8373757 1.92041568 -2.23459049 43.76015782 -3.34776541 31.32148577\n -0.20297719 0.61134384 1.5312007 ]\",[-168.1547285],22725,144,Optimization terminated successfully.,True,262,1.463299883545157,1o3f,187.71326702585253,,25,3,\"[(1, 0, 6, 7), (13, 12, 11, 9), (20, 19, 16, 15)]\"\n\"[ 1.73940992 -2.88909189 0.39477207 -9.05198221 9.16334351 10.42801264\n 0.87581831 -0.42654982]\",[-46.61066364],13594,85,Optimization terminated successfully.,True,234,1.207122324608385,4ih7,35.6304196142714,,17,2,\"[(8, 7, 6, 1), (10, 12, 13, 14)]\"\n[ 0.28002705 -1.90413525 1.38049866 31.81468251 65.70093529 8.60641078],[-63.59384325],7992,45,Optimization terminated successfully.,True,165,0.00020402786670014762,3dx1,49.944775371881875,,9,0,[]\n\"[ 3.00548447 0.35067146 -1.04249415 19.47587817 12.44211931 58.22259611\n -0.95901147 1.97404574 -1.6686502 ]\",-127.30512728276194,9390,59,Optimization terminated successfully.,True,317,0.6486810667111529,1syi,116.93983400535697,,17,3,\"[(2, 1, 0, 12), (1, 0, 12, 13), (0, 12, 13, 14)]\"\n\"[-2.42261724 0.73040352 0.41797131 20.85280965 5.54164319 16.56407882\n -0.57318858 -1.39286529 -1.16486765 -1.58748447 2.29446502 -2.14831929\n -0.02516166 2.19991553 -2.26573589]\",[-122.46311548],30878,196,Optimization terminated successfully.,True,638,2.1935441325821636,2p4y,57.904670509878464,,40,9,\"[(0, 5, 12, 13), (30, 9, 6, 2), (17, 11, 8, 3), (18, 17, 11, 8), (5, 12, 13, 14), (18, 19, 24, 25), (19, 24, 25, 26), (24, 25, 27, 28), (34, 35, 38, 39)]\"\n\"[ -2.86653081 2.10506141 -0.19649786 -2.99570578 -3.80410522\n -15.0621265 -2.77624608 -2.50317943 -0.72725774 -1.21412735\n -2.36273577 3.00165757]\",-50.338394625079076,54873,349,Optimization terminated successfully.,True,181,1.0151245707916547,3nq9,33.47588236205134,,10,6,\"[(8, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[ -0.78091809 1.42203134 1.38019551 30.69832151 -27.01186061\n -26.8897809 0.08092168 0.33397104]\",-56.80600913878408,21317,138,Optimization terminated successfully.,True,252,1.0675717687951338,3wtj,49.56687506029057,,16,2,\"[(8, 7, 6, 0), (9, 8, 7, 6)]\"\n\"[ 1.81192162 1.1534862 2.09383652 15.64392913 51.54201177 91.0148867\n 0.45825931 1.43285348 1.12540298 0.19097724 -1.31604058 2.77605537\n -1.20221479 0.13473364]\",[-122.75271369],69479,445,Optimization terminated successfully.,True,455,2.2478773170542397,4w9i,96.53535488083777,,33,8,\"[(4, 3, 1, 0), (3, 8, 9, 10), (12, 11, 9, 8), (11, 16, 17, 18), (16, 17, 19, 20), (21, 20, 19, 17), (22, 21, 20, 19), (28, 27, 26, 23)]\"\n\"[-2.28502695 0.06015762 -1.49844542 26.94881738 -0.98335418 3.64321766\n 0.6626889 2.98116401 2.18422795 0.38085919 -2.89331999 2.96333529]\",-132.40409017747072,78429,500,Maximum number of iterations has been exceeded.,False,439,3.8504277456454257,3b65,83.67248622422251,,25,6,\"[(0, 8, 9, 10), (8, 9, 10, 11), (9, 10, 12, 13), (10, 12, 15, 16), (17, 16, 15, 12), (18, 17, 16, 15)]\"\n\"[ 0.6140573 1.00806303 -1.70880219 4.54988878 6.22608487 14.89966126\n 0.45529607 -0.58849222 0.14286248 0.57779556 -1.52969827 2.8263496\n -2.06975567 -1.41505178 -0.65140145 1.6097038 2.4395073 0.80318299\n -0.62986776 0.85580753 1.34139685 -1.33609397]\",[-74.3091469],78166,500,Maximum number of iterations has been exceeded.,False,633,3.8769632230808244,3pww,109.47359694057508,,49,16,\"[(2, 3, 0, 1), (1, 0, 12, 13), (0, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (13, 14, 23, 22), (13, 16, 17, 18), (21, 20, 22, 23), (31, 32, 20, 21), (20, 22, 23, 14), (25, 24, 22, 20), (26, 25, 24, 22), (33, 31, 32, 20), (31, 33, 34, 35), (33, 34, 44, 45), (34, 44, 45, 46)]\"\n\"[ 3.09722232 0.95394872 -1.17114626 16.25083416 51.1940165 85.4641682\n 0.71691796 -1.24303368 -2.75584362 1.75216911 1.37839971 0.84438291\n 1.16209691 2.93613356]\",[-102.43003508],78489,500,Maximum number of iterations has been exceeded.,False,446,2.6933196761774134,4w9c,76.86426707869747,,28,8,\"[(0, 1, 4, 5), (1, 4, 5, 6), (8, 7, 5, 4), (7, 12, 13, 14), (12, 13, 15, 16), (17, 16, 15, 13), (18, 17, 16, 15), (24, 23, 22, 19)]\"\n\"[-2.49261384 2.37123599 1.12266 -6.08806646 3.94327518 17.76881278\n -2.33110898 -1.35771116 0.47356723 -2.13670364 -0.22704733 -0.41825556\n 1.01394526 -1.04781627 1.91609358 2.22086467 1.89737474]\",-61.510608278690896,77031,500,Maximum number of iterations has been exceeded.,False,283,2.5601830356929725,3kwa,30.99372640906072,,14,11,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13)]\"\n\"[-0.68698351 -2.73586331 -1.44717653 14.04210152 -8.10678593 23.01349502\n 0.59039622 0.21467938 -1.75977574]\",[-88.35771599],32199,202,Optimization terminated successfully.,True,475,2.053077410263435,3arq,41.46591400520039,,36,3,\"[(27, 12, 11, 10), (28, 27, 12, 11), (13, 14, 16, 17)]\"\n\"[-1.92393664 2.04409088 1.12098456 36.18163369 -1.01302719 14.33094894\n -0.09982788 1.37743547 -2.52301938]\",[-71.58549861],12571,76,Optimization terminated successfully.,True,332,1.378295340177376,3d6q,52.573049623685364,,22,3,\"[(13, 18, 3, 2), (12, 11, 10, 7), (13, 12, 11, 10)]\"\n\"[ -0.74417705 -1.91640033 -1.76150536 -9.91384802 -11.53976935\n 8.51675389 3.02332811 2.92715996 0.09444921 0.27320243\n -1.79347093]\",-77.32196741442947,17346,110,Optimization terminated successfully.,True,298,1.250355455159175,2w4x,65.65662635691125,,18,5,\"[(2, 4, 5, 6), (1, 10, 11, 12), (10, 11, 12, 13), (11, 12, 14, 15), (12, 14, 16, 17)]\"\n\"[ 1.11606953 -2.8327625 0.60359525 -1.21953936 10.9519614 9.05556598\n -0.71447907]\",[-107.86888303],7848,47,Optimization terminated successfully.,True,191,0.5512547438433811,2j7h,97.90037518949626,,10,1,\"[(1, 6, 7, 8)]\"\n\"[-2.90605090e+00 1.49919654e+00 -2.01316540e+00 8.78337897e+00\n 6.61982702e+01 6.39672785e+00 -2.37380947e+00 -9.63290573e-01\n 5.06953609e-01 1.93132043e+00 -2.77983007e-03 -1.37264985e+00\n -1.04695862e-01 -4.33592095e-01 -5.90108258e-01]\",[-106.39402654],76222,500,Maximum number of iterations has been exceeded.,False,522,3.1626119195673827,2xbv,173.30575035929002,,36,9,\"[(1, 0, 5, 9), (0, 1, 6, 7), (2, 3, 32, 33), (11, 10, 5, 0), (18, 7, 6, 1), (19, 18, 7, 6), (12, 11, 10, 5), (25, 24, 20, 21), (3, 32, 33, 34)]\"\n\"[-0.42261683 -1.86215368 0.0772872 0.05370992 6.46210631 12.50769274\n -1.82068875 -2.27324961 -0.646874 2.66244628]\",-159.8585312269443,32781,216,Optimization terminated successfully.,True,320,2.167332660117954,2cet,148.89337797867108,,22,4,\"[(3, 2, 1, 0), (10, 11, 14, 15), (16, 15, 14, 11), (17, 16, 15, 14)]\"\n\"[ 2.06939167e-01 1.73458073e+00 -2.65422450e+00 5.97323889e-01\n 4.51927852e+01 2.64734391e+01 -2.92146089e+00 2.81961446e+00\n -2.62337386e-01 -1.52787309e+00 1.70076963e+00 1.01659237e+00\n 3.04638970e+00 -1.96224866e-02 1.74626527e+00 1.58774026e+00\n 1.03169505e+00 -1.68158955e+00 -1.15612082e+00 1.16036796e-01\n -1.71868007e-01 -1.73395085e+00 -2.20615569e+00 -1.69801995e-03\n -1.05135145e+00 -1.87693175e+00 3.03364856e-01 1.40739964e+00\n -1.39805739e+00 -2.42577035e-01 -2.60916498e-01 -9.32451331e-01\n 2.25012817e-01 2.80771476e+00 -2.18050412e-01 -1.85734128e+00\n -1.99486350e+00 -2.67741270e-01 1.77064271e+00 6.55299061e-01]\",-72.87921502740426,81021,500,Maximum number of iterations has been exceeded.,False,881,6.762219229251188,3uri,108.93185408358636,,65,34,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (12, 11, 8, 7), (8, 9, 17, 18), (13, 12, 11, 8), (9, 17, 18, 19), (17, 18, 19, 20), (17, 18, 21, 22), (18, 19, 25, 26), (18, 21, 22, 23), (19, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 31, 32), (27, 31, 32, 33), (34, 33, 32, 31), (31, 32, 40, 41), (35, 34, 33, 32), (32, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 44), (41, 42, 47, 48), (42, 43, 44, 45), (43, 44, 45, 46), (42, 47, 49, 50), (47, 49, 50, 51), (49, 50, 51, 52), (50, 51, 54, 55), (51, 54, 55, 56), (54, 55, 56, 57), (59, 58, 55, 54), (60, 59, 58, 55)]\"\n\"[-1.6292859 0.92343003 -1.60610072 13.39169266 54.93077812 87.3222008\n 0.33580966 -1.73243555 1.13758522 1.43660484 -1.85258321 -2.76705218\n -2.20371915 2.32919824 2.49229679 2.54908665 0.30019416 -0.61444722\n 1.66179861 1.61872893]\",[-84.81651914],83835,500,Maximum number of iterations has been exceeded.,False,546,3.7232487664054923,4w9l,109.21986874141085,,41,14,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (3, 4, 9, 10), (4, 9, 11, 12), (9, 11, 12, 13), (11, 12, 13, 14), (11, 12, 17, 18), (20, 19, 17, 12), (19, 24, 25, 26), (24, 25, 27, 28), (29, 28, 27, 25), (30, 29, 28, 27), (36, 35, 34, 31)]\"\n\"[-2.74456173e+00 -2.95410248e+00 1.96122466e+00 2.62178347e+01\n 1.43351644e+01 6.02186778e+01 3.62307494e-01 1.22533022e+00\n 7.37254011e-01 -3.04123235e+00 1.02656090e+00 5.76676236e-01\n 3.27502465e-01 2.87997473e+00 3.45819933e-02 6.90847954e-01\n -2.46842347e-02]\",[-64.63922798],77769,500,Maximum number of iterations has been exceeded.,False,453,3.0127850292500695,3wz8,70.19070984688861,,33,11,\"[(0, 1, 2, 3), (12, 11, 1, 0), (1, 2, 3, 4), (5, 4, 3, 2), (6, 5, 4, 3), (13, 12, 11, 1), (12, 14, 23, 24), (17, 16, 15, 14), (14, 23, 25, 26), (27, 26, 25, 23), (28, 27, 26, 25)]\"\n\"[-2.76139102 1.60349174 1.09389968 46.34073348 2.44795314 0.10133064\n -1.67716381 -1.56256218 -2.8420783 1.20272458 -2.77060117 0.0809737\n 1.1837407 -2.82775432 -1.12389712 0.57148407]\",-90.86566840639306,80517,500,Maximum number of iterations has been exceeded.,False,451,2.572215807771218,2qbp,129.9832928196872,,37,10,\"[(0, 1, 5, 6), (1, 2, 15, 16), (9, 8, 4, 0), (21, 20, 10, 9), (2, 15, 16, 17), (15, 16, 17, 18), (22, 21, 20, 10), (23, 24, 27, 28), (31, 30, 27, 24), (32, 31, 30, 27)]\"\n\"[ -2.4599009 -0.83592633 -1.02767885 -19.66550881 54.77623998\n 16.85582638 1.36963404 -1.69117147 -2.08494805 -1.78561316\n -0.82334594 -1.29073058 0.87425749 -0.29560902 -1.2721491 ]\",[-178.37232012],20860,129,Optimization terminated successfully.,True,452,2.1274786211209573,1bzc,142.20844556256986,,29,9,\"[(6, 4, 0, 3), (5, 6, 4, 0), (9, 10, 15, 17), (10, 15, 17, 18), (15, 17, 18, 22), (17, 18, 22, 23), (17, 18, 19, 21), (18, 22, 23, 24), (22, 23, 24, 26)]\"\n\"[-0.9123834 0.18154264 -2.69014161 12.17815433 38.86556286 78.22033838\n -0.36811495 -2.64492418 -3.0699012 -3.13259647]\",-78.85228693819319,18981,124,Optimization terminated successfully.,True,242,0.5372764009700544,4lzs,60.47179222090679,,15,4,\"[(1, 0, 4, 7), (0, 1, 9, 8), (1, 2, 5, 11), (2, 5, 11, 14)]\"\n\"[ 0.26423792 -0.83351095 0.83675851 18.64861809 -2.1054633 9.34183578\n -2.35725656 2.65324043 2.90715049 -2.95604944 2.92661209]\",[-227.93077945],22162,132,Optimization terminated successfully.,True,303,0.9058251866393098,2brb,225.09635116779737,,25,5,\"[(3, 2, 1, 14), (15, 17, 16, 23), (17, 16, 23, 22), (8, 21, 20, 1), (24, 22, 23, 16)]\"\n\"[-2.72736351e+00 3.81474513e-02 -9.58728768e-01 5.54972241e+01\n 2.08405587e+00 3.90067930e+00 5.22534650e-01 6.93678177e-01]\",-112.09268418039761,12197,78,Optimization terminated successfully.,True,441,1.71671504389927,3g0w,104.25703108105134,,24,2,\"[(2, 7, 20, 21), (10, 9, 8, 5)]\"\n\"[-2.83565165e+00 8.76830368e-01 4.33670226e-01 5.02325525e+01\n 3.48973697e+01 2.79634516e+01 -4.46203847e-02 1.55950328e+00\n 2.10086912e+00 1.91724009e+00 1.66341160e-01 9.19389210e-01]\",[-157.69221247],64103,402,Optimization terminated successfully.,True,430,1.287881138223616,2zb1,138.56446905165217,,26,6,\"[(0, 1, 2, 3), (8, 7, 1, 0), (4, 3, 2, 1), (5, 4, 3, 2), (14, 13, 12, 9), (21, 20, 19, 17)]\"\n[ 2.70642667 -2.25396582 0.84378089 9.17504608 21.25116928 50.29958754],[-36.55812018],8980,57,Optimization terminated successfully.,True,228,6.743495761743046e-07,1bcu,30.14918183870211,,16,0,[]\n\"[-0.18420901 0.18426888 -2.59384216 26.60476568 25.80208463 -4.17719349\n 2.86594169 -0.41522344 0.92584231 0.83388729 2.1955118 -1.2566215 ]\",[-176.44620121],60411,373,Optimization terminated successfully.,True,468,1.499783585955041,3n86,170.6651382985876,,23,6,\"[(18, 7, 6, 16), (7, 6, 16, 0), (8, 18, 7, 6), (19, 15, 16, 0), (12, 19, 15, 16), (1, 17, 22, 5)]\"\n\"[-1.52264044e+00 -1.85214518e+00 7.44193338e-01 3.80470486e+01\n -7.22633960e+00 1.24232316e+01 1.85665568e+00 5.06145743e-02\n -6.04688974e-01 2.14606322e+00 -8.99044666e-01 -4.88299850e-01\n -1.48700412e-01 8.05953349e-01 -9.59293476e-01 1.66994426e-02\n -2.50626023e+00 2.33951995e+00 -4.91641965e-01 1.05733476e+00\n -7.69287279e-02 -2.06459379e+00 1.32769554e+00 -1.97763058e-01\n -1.79513217e-01]\",[-108.09063942],77438,500,Maximum number of iterations has been exceeded.,False,731,4.267497997205599,4gid,282.8068267330399,,47,19,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 7, 8), (5, 7, 8, 9), (5, 7, 11, 12), (7, 11, 12, 13), (11, 12, 13, 14), (15, 14, 13, 12), (12, 13, 21, 22), (16, 15, 14, 13), (13, 21, 22, 23), (25, 24, 22, 21), (26, 27, 28, 29), (27, 28, 30, 31), (25, 35, 36, 37), (35, 36, 38, 39), (36, 38, 39, 40), (42, 41, 39, 38)]\"\n\"[-3.62840827e-02 -4.85938869e-01 -2.72179204e+00 1.38819531e+01\n -9.41044635e-01 5.12658052e+01 -1.59177633e+00 2.61857949e+00]\",[-199.29518971],8883,53,Optimization terminated successfully.,True,364,0.6320832035434315,3rlr,175.6772396474315,,23,2,\"[(2, 13, 6, 8), (8, 10, 20, 17)]\"\n\"[ 0.66756079 2.1638463 1.02502743 -1.57429416 14.54652612 16.9652371\n -0.09559657]\",[-121.80856609],6266,36,Optimization terminated successfully.,True,184,1.0104371667045862,3gy4,111.29249085562421,,10,1,\"[(5, 3, 2, 0)]\"\n\"[-2.17472859 -0.28506508 -0.16804963 20.92437929 62.06400081 28.77237558\n -0.14703235 2.80483411 0.71687092]\",[-91.27167849],10505,64,Optimization terminated successfully.,True,303,1.3810772497865191,2al5,82.93404282521553,,15,3,\"[(1, 0, 9, 10), (0, 9, 10, 11), (9, 10, 12, 13)]\"\n\"[-3.10939776 2.43860681 -1.29230045 12.61605211 55.35587037 43.71968348\n 1.36978222 2.14272404 0.1883537 -0.42127323 1.8297886 2.18929039\n 2.03667624 1.77407689 -2.19127009 -1.11081447]\",[-109.91889931],50865,310,Optimization terminated successfully.,True,413,1.4411974677581052,2zcr,89.45297565836829,,28,10,\"[(0, 1, 2, 3), (4, 3, 2, 1), (5, 4, 3, 2), (11, 10, 9, 6), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (18, 19, 24, 25)]\"\n\"[-1.97280295 -0.84550871 -2.38891898 78.6055294 5.96199822 29.57160933\n -0.11046532 -2.38734717 -2.26226832 2.93284615]\",[-67.27545907],19959,127,Optimization terminated successfully.,True,216,1.8823951561949155,4kz6,43.053032702766124,,15,4,\"[(4, 5, 12, 13), (1, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11)]\"\n\"[ 2.03459827e+00 -3.13345494e+00 1.86424182e-03 1.31023943e+01\n 5.21682902e+01 5.94177711e+01 1.07308710e+00]\",-49.024241522372975,10948,69,Optimization terminated successfully.,True,294,0.43547488040406385,2pog,37.59505437061971,,21,1,\"[(15, 14, 8, 7)]\"\n\"[ -2.27010268 1.89520057 1.15002733 -34.7069052 4.31918229\n 14.96523295 -0.11650109 2.3285082 0.74023525]\",[-63.03797941],16266,101,Optimization terminated successfully.,True,185,0.9449583870142447,3gv9,51.97241972466453,,12,3,\"[(4, 3, 1, 0), (5, 4, 3, 1), (4, 8, 9, 10)]\"\n\"[-1.44215951 -0.58558402 -1.75792868 2.875981 13.00346744 23.37939688\n -0.94145794 3.01353388 -0.59773392]\",[-112.37187377],9186,51,Optimization terminated successfully.,True,283,1.0097562306297707,4ciw,106.01381345600844,,15,3,\"[(4, 5, 6, 7), (1, 11, 12, 13), (11, 12, 13, 14)]\"\n\"[ -1.92679886 -0.83795479 -1.66548992 -14.29377147 45.24234685\n 0.72736068 -0.57056772 1.79662847 1.44723513 1.75844645\n 2.4186947 -1.93751071 -0.13952991 -0.45916896 2.9331394\n -0.13338446 -0.38230989 0.35372187 -1.48870169 -1.20989819]\",[-87.73385716],81714,500,Maximum number of iterations has been exceeded.,False,659,4.182470295736067,3zso,89.34019556197234,,44,14,\"[(2, 14, 26, 35), (19, 15, 27, 37), (17, 34, 16, 5), (16, 34, 17, 7), (3, 18, 31, 36), (4, 19, 32, 36), (10, 22, 42, 29), (12, 23, 43, 30), (24, 25, 33, 36), (14, 26, 35, 34), (18, 31, 36, 32), (19, 32, 36, 31), (25, 33, 36, 31), (16, 34, 35, 26)]\"\n\"[ -1.68830702 -1.32247797 -1.3215404 91.44381828 95.39206156\n -45.34086354 0.23848672 0.66212506 0.91658038 0.46073748\n -0.91968691]\",[-93.02264674],12630,74,Optimization terminated successfully.,True,409,3.228453454759417,4agn,82.34594885342466,,24,5,\"[(2, 5, 1, 8), (1, 5, 2, 7), (11, 12, 6, 13), (12, 6, 13, 14), (12, 6, 15, 16)]\"\n\"[ -0.32528075 1.41689526 2.29821612 94.13962636 89.55083252\n -49.038399 0.70704525 2.21366254 0.78923667 1.6952743\n 0.88695629 0.84724065 -0.80270472]\",[-84.7125842],47142,295,Optimization terminated successfully.,True,462,2.504174670606459,4agq,74.29437688844331,,30,7,\"[(15, 1, 14, 13), (0, 15, 1, 14), (4, 7, 3, 10), (3, 7, 4, 9), (18, 20, 8, 22), (20, 8, 22, 23), (20, 8, 29, 21)]\"\n\"[-2.63857918 2.35314566 0.37657701 46.62559577 25.78038314 40.74793285\n 0.44713887 -0.83857533 -2.87280563]\",[-93.66174354],13848,85,Optimization terminated successfully.,True,245,1.0370719605843641,1p1q,74.86980654743941,,13,3,\"[(0, 1, 2, 3), (6, 5, 1, 0), (7, 6, 5, 1)]\"\n\"[ 2.46730471 -3.04967917 1.34194898 36.38216469 0.28991566 11.61358088\n -1.2951702 -1.01222056 -0.52303331 -1.82168752]\",[-91.54781281],12039,72,Optimization terminated successfully.,True,322,1.6594198646385545,1w4o,75.31910289171618,,21,4,\"[(11, 16, 0, 1), (11, 10, 9, 8), (10, 12, 13, 18), (12, 13, 18, 17)]\"\n\"[-2.51463876e+00 -6.89575650e-01 -1.59701377e+00 6.95694252e+00\n 5.69453077e+01 -3.37008433e-02 2.88903893e+00 1.66755733e+00]\",[-250.05922084],11369,69,Optimization terminated successfully.,True,339,0.23797688632591368,4ivb,240.88957094412265,,23,2,\"[(4, 3, 1, 0), (16, 15, 4, 3)]\"\n\"[-2.82638416 -1.95878883 1.18279658 7.90543819 39.63088125 60.52687257\n -3.03024137 -0.8334803 -1.25225384 0.87308935 -1.72681461 -3.06612067\n -0.1434967 1.58914348]\",[-137.17091449],78264,500,Maximum number of iterations has been exceeded.,False,507,4.889595875096003,5c2h,155.3981808564419,,31,8,\"[(16, 0, 18, 1), (0, 18, 1, 20), (3, 20, 1, 18), (23, 6, 22, 12), (24, 23, 6, 22), (11, 15, 12, 22), (15, 12, 22, 6), (7, 24, 23, 6)]\"\n\"[-0.41979538 -2.26509899 0.96115261 19.47954535 51.28247394 35.42262394\n -2.64362343 0.4136521 -1.54606802 1.47037674 -0.21480473 -2.42387552\n 3.09415145 -1.24206418]\",[-71.71218872],28988,181,Optimization terminated successfully.,True,349,3.7278909038878485,2zcq,41.66830118865788,,25,8,\"[(7, 6, 5, 0), (8, 7, 6, 5), (8, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (15, 16, 21, 22)]\"\n\"[-2.39610954e+00 1.72009470e+00 1.20934435e+00 -6.95165906e+00\n 3.80804139e+01 -1.23006147e+01 -2.89273167e-03]\",-265.96511117073663,11872,75,Optimization terminated successfully.,True,309,0.01656092831475661,4kzq,241.54588498255316,,18,1,\"[(11, 10, 8, 7)]\"\n\"[ -3.13922291 0.70808626 -1.99046562 6.35842969 -10.35973083\n 3.10477651 0.12079683 0.9282813 0.72500659]\",[-61.68342529],16379,102,Optimization terminated successfully.,True,275,2.2528034632212726,2w66,51.41835003139872,,16,3,\"[(4, 3, 1, 0), (5, 4, 3, 1), (9, 11, 12, 13)]\"\n\"[ 1.40837221e-02 2.25511843e+00 -1.85397072e+00 1.52847581e+01\n 1.07146424e+01 -6.49074058e+00 1.25887817e+00 1.26966797e+00\n 1.28913366e+00 1.07333636e+00 9.96765642e-01 -8.63324692e-01\n -1.80087837e-02 1.89226054e+00]\",[-143.88665922],78249,500,Maximum number of iterations has been exceeded.,False,477,4.105137436289879,3coz,127.9176737342953,,30,8,\"[(6, 7, 9, 10), (7, 9, 11, 12), (9, 11, 13, 14), (11, 13, 14, 15), (13, 14, 17, 18), (19, 18, 17, 14), (20, 19, 18, 17), (0, 26, 25, 20)]\"\n\"[ 3.07281393 -0.62701059 -1.32885036 4.63855787 4.93675425 30.58514034\n 1.49942532 0.41713833 -0.10321115 0.075143 ]\",[-250.85463825],17136,104,Optimization terminated successfully.,True,392,0.3373667519881744,1pxn,207.8112595332626,,22,4,\"[(2, 3, 4, 5), (9, 8, 6, 1), (15, 14, 11, 10), (16, 15, 14, 11)]\"\n\"[-3.01590079e+00 6.46736731e-01 -1.00394594e+00 5.10000593e+01\n 1.84428940e+01 -9.26425095e-03 -2.76678525e+00 -1.29646933e+00\n 1.89629185e+00 -1.76364784e+00 3.02578792e-01 1.18666501e+00\n 7.58267054e-01 -1.92456240e+00 -2.17762159e+00 2.16494480e-01\n -1.03729337e+00 1.41538763e+00 2.33585039e+00 1.28255757e-01\n 5.06845516e-01 1.07740089e+00]\",[-135.18849121],78879,500,Maximum number of iterations has been exceeded.,False,460,4.835089246360104,5tmn,128.01138279112433,,32,16,\"[(1, 0, 2, 3), (1, 0, 10, 11), (4, 3, 2, 0), (5, 4, 3, 2), (0, 10, 11, 12), (10, 11, 12, 13), (11, 12, 15, 16), (12, 15, 16, 19), (15, 16, 19, 20), (15, 16, 17, 18), (16, 17, 23, 24), (16, 19, 20, 21), (17, 23, 24, 27), (23, 24, 27, 28), (23, 24, 25, 26), (24, 27, 28, 29)]\"\n\"[ 1.26981126 3.13672526 1.46630375 56.73568717 14.96820849 53.03563992\n 0.39052466 1.93669502]\",-72.3747261246499,11589,74,Optimization terminated successfully.,True,278,1.5522045277981487,3acw,63.560772620779254,,21,2,\"[(6, 16, 15, 4), (8, 17, 20, 0)]\"\n\"[-2.28849551 -0.63305291 -2.52562591 8.92954718 8.87510443 3.09265952\n -1.51554414 0.24404187 0.65072497 3.12015504]\",[-126.77854451],30016,195,Optimization terminated successfully.,True,274,0.931988492174941,1q8t,114.80781257080787,,18,4,\"[(3, 2, 1, 0), (12, 11, 1, 0), (4, 5, 8, 9), (13, 12, 11, 1)]\"\n\"[ 1.01482824 0.16719276 0.65354089 26.36293316 -0.38257703 4.77453448\n -0.44963379 0.43027122 1.72530152 1.11250796 -2.59763691 -2.96001658\n -2.38089509 2.29136871 -2.53042434 -1.26094591]\",[-162.00636764],81002,494,Optimization terminated successfully.,True,544,4.500699910325767,3b68,132.18839211967733,,31,10,\"[(4, 3, 1, 0), (5, 4, 3, 1), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 15, 16), (18, 17, 15, 12), (19, 18, 17, 15), (21, 22, 23, 24), (19, 26, 27, 28)]\"\n\"[-0.36393177 -2.8789059 1.31255916 6.46014743 56.21970292 0.92201649\n -2.41401083 0.49609085 -2.0204322 1.80785418]\",-247.19562347123394,11781,76,Optimization terminated successfully.,True,355,0.9514143611818567,4ivd,230.79216559877526,,25,4,\"[(4, 3, 1, 0), (16, 15, 4, 3), (17, 18, 21, 22), (18, 21, 22, 23)]\"\n\"[-2.81847789 0.03730047 -2.58194955 23.05236884 35.62961263 25.61222078\n -2.22283045 1.4674047 0.9435743 -2.12812153 0.32231624 -0.54877536\n 0.71738097 -1.91448368 -0.0474486 -0.04685148 -0.67905253]\",[-82.30084793],76725,496,Optimization terminated successfully.,True,502,2.1445631770105433,4ogj,49.29579837560525,,37,11,\"[(0, 4, 5, 6), (4, 5, 6, 7), (8, 7, 6, 5), (9, 8, 7, 6), (15, 14, 13, 10), (16, 15, 14, 13), (23, 22, 21, 16), (24, 23, 22, 21), (24, 28, 29, 30), (28, 29, 32, 33), (29, 32, 33, 34)]\"\n\"[ -2.88957118 -2.0965687 -0.93306054 -15.75851111 45.82076565\n -4.63930471 2.81588371]\",[-90.40395427],9852,57,Optimization terminated successfully.,True,261,0.2937949641828553,4u4s,74.64816587229286,,14,1,\"[(9, 7, 11, 12)]\"\n\"[-2.04705277 -1.30782851 0.94414123 6.68514659 21.16264563 17.58782763\n 1.70476814 -2.2060171 -1.36039299 0.22680454 -2.95102414 0.58654259\n -0.9739597 ]\",-96.5052943277118,78450,500,Maximum number of iterations has been exceeded.,False,259,3.38632313662892,4qd6,78.29297099102902,,35,7,\"[(7, 6, 1, 0), (22, 15, 3, 2), (17, 16, 5, 0), (8, 7, 6, 1), (23, 22, 15, 3), (18, 17, 16, 5), (30, 29, 19, 18)]\"\n\"[ 2.10849093 0.92888007 -3.06395772 -14.36221399 -1.43264405\n 2.56889737 0.18860737]\",[-72.82989577],13194,80,Optimization terminated successfully.,True,212,0.07065307066935346,4ddk,40.87436112705068,,12,1,\"[(4, 3, 1, 0)]\"\n\"[2.57721144e+00 2.10301726e+00 6.49698669e-02 6.96776364e+01\n 5.07486420e+01 1.01935186e+01 3.11724760e-02]\",-62.425396683900985,17108,109,Optimization terminated successfully.,True,207,0.9136214761921101,3rsx,57.199775139062304,,16,1,\"[(2, 13, 3, 4)]\"\n\"[ 1.48829569 -0.38818039 -0.16642964 -6.81895792 -3.72280689\n -32.61347241 2.08411259 2.17649521 -2.70248992 -1.56543791\n 2.61791278 -0.21114148 0.12935014]\",-76.0815927594776,19794,124,Optimization terminated successfully.,True,273,1.9888166402635168,3mss,65.63473318255302,,21,7,\"[(3, 2, 1, 0), (0, 1, 17, 18), (4, 3, 2, 1), (5, 6, 9, 10), (11, 10, 9, 6), (12, 11, 10, 9), (1, 17, 19, 20)]\"\n\"[-2.46989234 1.90263188 -0.38966037 7.69723189 30.59544515 73.57469747\n 1.60754075 0.36002317 -1.51407698 -1.6351377 -1.37133225]\",[-89.61971028],36346,228,Optimization terminated successfully.,True,399,1.471703732794199,4eo8,95.61382027785413,,27,5,\"[(0, 1, 11, 12), (1, 2, 24, 25), (14, 12, 11, 1), (1, 11, 13, 22), (16, 14, 12, 11)]\"\n\"[ 1.50637712 -2.46053916 1.45765727 12.46773692 27.40100386 6.83986195\n 2.94300746 2.36004598 -0.07237252]\",[-223.3608273],41594,267,Optimization terminated successfully.,True,359,1.2411197443096893,4e6q,188.80911844754968,,25,3,\"[(19, 18, 2, 1), (7, 6, 5, 0), (20, 19, 18, 2)]\"\n\"[-2.26419245 -2.28653097 1.72205834 3.3078941 14.89549534 21.31801361\n 0.77422251 -1.70542598 -0.97673837 -2.13078953]\",[-188.24139153],36148,235,Optimization terminated successfully.,True,554,1.7733740976205667,2yki,179.45780005839103,,34,4,\"[(15, 12, 6, 3), (17, 16, 7, 21), (22, 21, 7, 16), (19, 17, 16, 7)]\"\n\"[-2.59288189e+00 1.22178149e+00 2.00350327e+00 -9.93677120e+01\n 3.63456672e+01 2.72276851e+01 2.15613521e+00 1.01592029e+00\n -5.03761212e-01 -7.14971821e-01 6.16532071e-01 -4.94622529e-02]\",-72.7647513831384,52221,332,Optimization terminated successfully.,True,232,2.588443725490011,3zdg,53.17585150123042,,13,6,\"[(3, 0, 6, 7), (7, 1, 2, 8), (2, 1, 7, 6), (1, 2, 8, 4), (11, 4, 8, 2), (0, 6, 7, 1)]\"\n\"[ 0.13957961 -1.68573169 1.25754463 66.8270976 35.30761405 26.91226146\n -0.27221819 -2.4894872 0.52218174 2.95379379 1.71912415]\",[-43.5278194],33722,214,Optimization terminated successfully.,True,281,1.9015418151954568,2xdl,25.046967726154946,,16,5,\"[(0, 1, 13, 15), (2, 3, 11, 12), (7, 8, 14, 9), (10, 9, 14, 8), (3, 11, 14, 8)]\"\n\"[-2.3297093 0.92017567 -2.76436113 -2.53289072 2.27651678 20.61189299\n 2.02129709 -2.65649606 -1.56288821]\",-121.42796916053813,23160,149,Optimization terminated successfully.,True,331,1.837985918244254,4f9w,121.31324223634113,,25,3,\"[(4, 3, 1, 0), (16, 15, 6, 5), (9, 8, 7, 6)]\"\n\"[ 2.80305082 -0.91964391 -0.51832853 55.30644621 72.9244565 20.6472942\n -0.15726671 2.44284117 -1.23736921]\",-156.04295461040735,8931,56,Optimization terminated successfully.,True,357,0.3359123462815559,1nc1,134.3321666036587,,20,3,\"[(3, 2, 1, 0), (4, 3, 2, 1), (11, 10, 9, 4)]\"\n\"[-0.15021578 -2.46597423 1.43980474 8.69677972 10.22900508 4.91762121\n -1.30922782 -2.59373368]\",[-168.53206521],14292,89,Optimization terminated successfully.,True,352,2.0559143909121644,1q8u,139.44347195867553,,22,2,\"[(4, 3, 1, 0), (12, 11, 1, 0)]\"\n\"[-0.81905965 -1.73701665 -2.73292019 29.26144604 -6.8486788 62.44681924\n -2.36277992 -0.14601965 -1.21079365]\",-66.31225381904532,21018,135,Optimization terminated successfully.,True,377,1.4911850168121656,2wn9,43.53983911987287,,22,3,\"[(2, 1, 0, 10), (1, 2, 3, 4), (17, 16, 15, 10)]\"\n\"[ -2.1153426 0.20682999 -0.77599241 37.19468089 -15.43342147\n 29.08400233 2.02728772 -1.17835651 -1.09120755 0.76381066\n -1.83122865 -2.15013534 2.71517988 -1.65645389]\",[-118.66164784],79194,500,Maximum number of iterations has been exceeded.,False,536,3.7569274733051006,4ty7,108.41095033677432,,35,8,\"[(17, 22, 0, 4), (1, 8, 2, 32), (8, 2, 32, 25), (27, 3, 25, 10), (6, 9, 24, 31), (18, 11, 10, 25), (3, 25, 10, 11), (3, 25, 32, 2)]\"\n\"[ 1.86152617 -2.03658146 1.50652938 3.78225151 12.80738187 42.37041459\n -3.03375697]\",[-62.42799557],10618,64,Optimization terminated successfully.,True,201,0.613004625420061,5c28,53.68381299494205,,12,1,\"[(4, 3, 1, 2)]\"\n\"[ 1.49471538 -1.40244366 -2.00466029 -3.88616529 7.13749987 13.37385379\n 0.49480867 1.97863543 -0.7380025 2.74632858 -0.52899651]\",[-63.12620322],55756,351,Optimization terminated successfully.,True,287,1.0429003219151352,3aru,51.940532365621166,,20,5,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5)]\"\n\"[-5.95553052e-01 -1.99834712e+00 -4.24252100e-01 4.30774520e+01\n 8.23560218e-01 -1.94624425e+01 -9.36000577e-01 -2.65225263e-01\n 1.08907454e+00 1.95374750e+00 -6.72214493e-01 2.37371332e+00\n 2.33803071e-02]\",[-125.99746058],72728,453,Optimization terminated successfully.,True,524,4.138496040408893,3ozt,133.3137825085148,,31,7,\"[(25, 6, 2, 1), (0, 4, 5, 9), (5, 9, 10, 11), (9, 10, 11, 12), (13, 12, 11, 10), (14, 13, 12, 11), (16, 17, 19, 23)]\"\n\"[ 0.19288178 -0.49887633 -2.18434123 26.54650499 2.99704728 15.48548069\n 1.48773083 -1.25026163 -0.73274671 -1.62462359 3.04439671]\",[-76.19280147],40350,254,Optimization terminated successfully.,True,354,1.0511274286917587,2r9w,66.35335768757949,,29,5,\"[(0, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (16, 15, 11, 10), (19, 20, 21, 22)]\"\n\"[ 0.57946964 1.26745477 -2.88809011 -27.63713349 -29.22454509\n 8.51137921 2.28422931 -0.27725502 -2.69952575 0.89933444]\",[-114.34260183],24749,156,Optimization terminated successfully.,True,373,1.9665449643309008,4gkm,116.54626980104119,,20,4,\"[(4, 3, 1, 0), (11, 10, 9, 3), (12, 11, 10, 9), (11, 16, 17, 18)]\"\n\"[ 0.45968195 -0.99626688 -2.0318778 30.95597136 66.07673793 8.47038862\n -0.94449753]\",-144.37108856150587,5250,32,Optimization terminated successfully.,True,232,0.9934989510837448,3d4z,117.98635777619718,,14,1,\"[(2, 5, 6, 13)]\"\n\"[ 3.02342254 2.69119737 0.61927395 47.34944054 9.88144449 7.0923657\n -1.35753206 2.52490901 0.44736075 1.99018595 -1.27245944 1.18109089\n -0.87555423 1.03270564]\",-114.69349040507694,43435,279,Optimization terminated successfully.,True,418,2.590212327035618,2qbr,122.6854867632547,,28,8,\"[(0, 1, 5, 6), (1, 2, 15, 16), (9, 8, 4, 0), (9, 10, 20, 21), (2, 15, 16, 17), (15, 16, 17, 18), (22, 21, 20, 10), (23, 22, 21, 20)]\"\n\"[ -2.436002 1.54092478 -2.48089545 -6.98473188 38.3325033\n -11.6243243 -0.61408816]\",[-157.19876369],11850,72,Optimization terminated successfully.,True,335,1.1151810008919878,4kzu,134.3687610320365,,18,1,\"[(12, 11, 10, 0)]\"\n\"[-2.15508650e-01 -7.54158508e-02 8.17797171e-02 -1.52233113e+00\n 5.11670505e+01 1.65103826e+02]\",[-72.96892203],9406,59,Optimization terminated successfully.,True,281,0.981343821985264,1qkt,62.40679158521153,,20,0,[]\n\"[-1.34763966 0.1295338 -1.1731374 -0.57353947 10.03802723 -5.90516138\n 2.55127214]\",[-98.38251376],10192,59,Optimization terminated successfully.,True,296,0.15527576426297418,3ao4,85.23848503261942,,16,1,\"[(10, 9, 1, 0)]\"\n\"[ 1.35780353 -0.64698896 -1.04744783 21.23280192 26.89848881 12.83736105\n 0.12619588 -2.07508603 0.36092629 2.91648826 -1.95515241 1.2149944\n -1.5811498 -2.87741891 1.53154638 1.16055216 -1.93866755 -1.31326621\n 2.38143672 -2.70570004 1.46590844]\",[-106.77387871],86852,500,Maximum number of iterations has been exceeded.,False,471,2.4864267248576843,3o9i,268.3783953830464,,42,15,\"[(5, 6, 9, 10), (6, 9, 12, 13), (9, 12, 13, 14), (9, 12, 17, 18), (12, 13, 14, 15), (13, 14, 15, 22), (13, 14, 16, 19), (12, 17, 18, 20), (17, 18, 21, 23), (18, 21, 23, 24), (41, 35, 21, 18), (21, 23, 24, 25), (27, 26, 24, 23), (28, 27, 26, 24), (36, 41, 35, 21)]\"\n\"[-0.59890256 1.28159602 -2.08511063 26.25726505 30.89186293 19.68682022\n -2.54143246 -0.07510758 -2.8242397 1.33565542]\",[-61.17641689],20416,131,Optimization terminated successfully.,True,177,0.6679859553094221,3f3d,45.23118975981376,,9,4,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[ 1.44802965 -1.75248255 -1.47673986 5.68787126 12.53330349 44.1775386\n 2.68885702 -1.72029307 0.89258804]\",[-105.1249547],28406,181,Optimization terminated successfully.,True,382,1.666968018392339,3ui7,90.67529200720244,,24,3,\"[(21, 17, 5, 2), (0, 7, 23, 16), (10, 21, 17, 5)]\"\n\"[ -2.61059599 1.33214745 -1.34310738 22.03027757 -25.37963496\n 6.61596539 0.70999373 -0.13578188 0.50460665 -2.69101314\n -1.44449508 -1.34031286 -0.82077218]\",[-157.94024125],79220,500,Maximum number of iterations has been exceeded.,False,637,2.3298277109982743,3oe4,145.22314982833473,,33,7,\"[(10, 6, 2, 1), (0, 4, 5, 9), (5, 9, 12, 13), (9, 12, 13, 14), (15, 14, 13, 12), (16, 15, 14, 13), (18, 19, 21, 25)]\"\n\"[ 1.50226245e+00 -2.82268026e+00 -2.22766275e+00 3.45610535e+01\n 2.32103489e+01 2.78468667e+01 -2.64762332e+00 -1.74726181e-02]\",[-86.5378207],12104,72,Optimization terminated successfully.,True,340,0.9239215405806114,3l7b,78.02045591379908,,19,2,\"[(14, 1, 0, 2), (8, 10, 12, 13)]\"\n\"[ 0.27885986 2.53894138 1.14648477 34.05821331 22.58684881 28.26610675\n -1.99011287 0.9467244 ]\",[-152.30424135],8659,52,Optimization terminated successfully.,True,357,0.646461552413378,3syr,135.98260829031065,,20,2,\"[(0, 9, 8, 10), (14, 16, 18, 19)]\"\n\"[ 0.54920072 2.97925047 -0.22371381 -42.05067431 4.12414873\n -16.23607738]\",[-51.76441808],10223,63,Optimization terminated successfully.,True,308,1.482075714951263,2xys,47.12746994564298,,25,0,[]\n\"[-2.96708298 2.59332585 0.93961806 -1.98617004 -4.08206829 -6.06002561\n -2.5316602 1.41734183 0.92919873 -2.05130783 3.08781868]\",[-86.22562098],25606,156,Optimization terminated successfully.,True,237,1.3259077417784522,3ehy,79.51969413844121,,17,5,\"[(0, 1, 3, 4), (10, 9, 1, 0), (1, 3, 4, 5), (3, 4, 6, 7), (11, 12, 15, 16)]\"\n\"[-1.43548951e+00 2.55089953e-03 -2.96648737e+00 2.36623163e+01\n 3.68406055e+01 4.14840522e+01]\",-63.85976153756959,7797,50,Optimization terminated successfully.,True,198,1.2815176845337838e-05,3udh,55.45283880677863,,14,0,[]\n\"[-2.10939866 2.86225828 -0.04446517 7.48877174 4.93291885 23.12188637\n -2.68797895 -0.13662976 0.36566719 0.15505272]\",[-139.0961348],12584,76,Optimization terminated successfully.,True,238,1.7477820690894492,4m0y,48.50354834972705,,22,4,\"[(11, 10, 9, 3), (11, 12, 18, 19), (12, 13, 15, 16), (12, 18, 19, 20)]\"\n\"[ 5.92667503e-02 2.87304177e+00 2.76692226e+00 1.01193553e+01\n 4.62877350e+01 5.91255686e+01 -5.23573584e-01 -1.47712892e+00\n -2.23384675e+00 2.01653763e-02 -1.92573987e+00 1.18741227e+00\n -2.60183786e+00]\",[-109.61696979],49778,311,Optimization terminated successfully.,True,586,2.564435920210124,3b1m,75.60004496906026,,38,7,\"[(1, 0, 20, 22), (7, 9, 16, 17), (9, 10, 15, 24), (9, 16, 17, 25), (26, 25, 17, 16), (27, 26, 25, 17), (26, 27, 36, 37)]\"\n\"[ 1.05241476 -0.15676729 -2.12206706 15.47034642 8.6949677 11.05735369\n -1.97893704]\",[-241.44684326],11280,67,Optimization terminated successfully.,True,322,0.06207528672963249,4f09,217.21852024961413,,19,1,\"[(11, 10, 9, 1)]\"\n\"[ -0.35675678 2.93999011 2.25408627 -16.9962117 11.52607049\n 32.38034364 1.09704697 0.76142925]\",[-72.1005997],15312,95,Optimization terminated successfully.,True,268,1.006768529009015,4jfs,57.51848664137127,,17,2,\"[(3, 2, 1, 0), (9, 8, 7, 4)]\"\n\"[ 7.45095332e-01 2.16153604e+00 -4.92650812e-01 -4.55195404e+00\n -2.99562430e+01 7.16191557e+00 5.22156209e-01 9.93726314e-03\n -2.03208548e+00]\",[-49.77377561],12282,73,Optimization terminated successfully.,True,273,0.7263908247102746,3r88,39.31521104559173,,14,3,\"[(5, 11, 7, 0), (6, 12, 8, 1), (6, 13, 9, 3)]\"\n\"[ 3.05982595 -0.98756147 -1.38237203 56.92862224 15.57697249 49.85611377\n -0.25338351 2.51547553 -2.74258921 0.92433408 -2.7809924 2.55256921]\",[-217.17240376],20345,121,Optimization terminated successfully.,True,448,0.22266473106871762,4twp,206.6185946474958,,28,6,\"[(0, 1, 2, 3), (5, 4, 1, 0), (11, 10, 8, 4), (12, 11, 10, 8), (17, 18, 20, 21), (23, 22, 21, 20)]\"\n\"[ 2.40171298 -1.60807695 2.7678673 27.91482928 -3.33910312 19.2482003\n -0.27981959 -2.41804594 -1.49243858 -1.42217529 -1.24330519]\",-108.08637078847005,34440,221,Optimization terminated successfully.,True,373,4.0747460133042095,3jvr,57.42774800930649,,23,5,\"[(13, 14, 2, 15), (14, 2, 15, 6), (16, 9, 15, 2), (17, 16, 9, 15), (1, 13, 14, 2)]\"\n\"[ 1.35731311e+00 1.38012562e-01 2.47818568e+00 1.71732520e+01\n 5.53045117e+01 3.69994768e+01 8.28213230e-01 3.01521857e+00\n -2.43510951e+00 2.31337563e+00 4.96722665e-01 2.21971974e+00\n 2.70082089e-02 -2.80472360e+00 -4.39820218e-01]\",[-95.56927055],53454,348,Optimization terminated successfully.,True,364,2.0854635608113155,2zy1,56.243978453381416,,24,9,\"[(7, 6, 5, 0), (8, 7, 6, 5), (8, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 19, 20), (17, 19, 20, 21)]\"\n\"[ 0.46426437 -0.15553447 -1.7081617 4.30580052 -18.60518392\n -13.24017835 -1.29002085 2.02249274 -0.12384547 2.07775373]\",[-193.48171978],8402,49,Optimization terminated successfully.,True,344,0.795120818363812,4f2w,179.3348172204937,,20,4,\"[(7, 6, 5, 4), (8, 7, 6, 5), (11, 10, 9, 8), (1, 11, 10, 9)]\"\n\"[ 2.57280092 -0.5477905 3.10691754 25.53726929 49.75715541 -1.09114309\n 0.09241271 -0.74459132 1.60864042 -2.01155532 -0.82615964 -1.504828 ]\",-90.38343405410045,18057,113,Optimization terminated successfully.,True,496,3.5924511601003175,3p5o,84.9554392211109,,30,6,\"[(8, 7, 6, 3), (12, 13, 14, 15), (8, 23, 24, 25), (23, 24, 25, 26), (24, 25, 27, 28), (25, 27, 28, 29)]\"\n\"[ 0.57382809 1.48030282 0.52015601 -0.52108988 6.16434846 17.17301283\n 1.86611833 1.06490728 1.91947826 2.03627689 1.33128139 -2.51620169\n -1.48043133 -1.0197345 -1.66587193 -1.47333798 -2.27737431 -1.51401421]\",[-74.37965123],83917,500,Maximum number of iterations has been exceeded.,False,284,1.333847605829929,3uev,58.537905115090844,,16,12,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15)]\"\n\"[ 2.08643514 -2.9800589 -2.19277453 22.88146662 50.70978273 -1.21996392\n 2.63814108 -2.49926633 -2.93831223 -2.55687693 -0.62982702]\",-68.42215747486728,51534,332,Optimization terminated successfully.,True,356,1.9930243020670382,2c3i,55.99472907172593,,23,5,\"[(0, 2, 3, 4), (5, 4, 3, 2), (6, 5, 4, 3), (15, 14, 13, 9), (15, 19, 20, 21)]\"\n[ 0.26853609 -0.87168184 -0.53099703 3.80217519 67.28128682 63.21441473],-68.83930682191591,6897,44,Optimization terminated successfully.,True,278,2.235924090567855,1gpk,51.90402658875173,,18,0,[]\n\"[ -1.7724868 -1.6447333 -0.9909589 -11.90499294 3.34216374\n 10.27828849 -0.42696364]\",[-112.18003102],8934,54,Optimization terminated successfully.,True,305,0.8802603462602414,4j21,70.45708295379094,,20,1,\"[(4, 13, 2, 12)]\"\n\"[ 1.70167639 0.68608791 -0.85686922 3.02039344 4.66556602 11.11716019\n -0.2406502 -2.99601311 0.01805495 -1.9249906 -1.8140592 1.75518143\n 2.09639409]\",-148.0989850696509,9186,56,Optimization terminated successfully.,True,372,1.106073101343041,2wbg,132.81087268905299,,22,7,\"[(12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21)]\"\n\"[ 2.57619473 -2.57499136 0.20927984 -26.06340032 -30.00406417\n 8.87078737 -1.86088502 2.30789664 -0.97694228 1.72143631\n 2.28340454 -2.54436894 2.95970878 -2.68966032 0.12192938\n 0.081045 0.25570533 -2.65027596 2.59910985 -1.10748113]\",[-94.86021725],81567,500,Maximum number of iterations has been exceeded.,False,540,4.897100383613229,1u1b,102.35433416933012,,51,14,\"[(1, 0, 3, 22), (1, 0, 7, 4), (23, 22, 3, 0), (5, 4, 7, 0), (36, 37, 4, 5), (28, 29, 8, 9), (24, 25, 12, 13), (24, 23, 22, 3), (23, 28, 29, 8), (32, 31, 30, 38), (31, 30, 38, 39), (33, 32, 31, 30), (43, 42, 34, 33), (32, 36, 37, 4)]\"\n\"[-3.27223964e-01 2.48964705e+00 -1.98880934e+00 1.48314807e+01\n 9.17296724e+00 -3.59035138e+01 5.80458869e-01 -2.54577839e+00\n 5.21591877e-04]\",-97.59555738314639,22395,144,Optimization terminated successfully.,True,371,1.6649058036364799,3pyy,84.93204872009814,,25,3,\"[(11, 14, 10, 3), (15, 17, 11, 9), (9, 19, 12, 5)]\"\n\"[ 1.6460641 -0.48582311 0.32674934 11.650608 40.23570159 5.85300819\n 2.81916949 -3.03082926 1.30489547 0.60189803]\",-3.460366946261603,75381,500,Maximum number of iterations has been exceeded.,False,262,1.7504450676895718,3gbb,0.06890529996038502,,18,4,\"[(0, 1, 3, 4), (6, 5, 3, 1), (7, 6, 5, 3), (5, 6, 8, 9)]\"\n\"[-1.36648923 -2.98514227 0.88875563 11.94875548 8.00916606 7.73353331\n -1.0565458 -1.109773 ]\",[-54.07695083],12370,76,Optimization terminated successfully.,True,241,1.0061544019074948,2ymd,33.902777739979825,,13,2,\"[(6, 7, 10, 11), (7, 10, 11, 12)]\"\n\"[-3.07186001 -1.9970688 -1.46063317 20.37666412 -7.39845794 10.32716318\n -2.61514086 1.66826955 -1.98839206 -1.654873 0.51464964 1.71570248]\",[-171.46881184],67184,425,Optimization terminated successfully.,True,543,2.5283739264008944,4rfm,170.94172152466462,,36,6,\"[(5, 6, 7, 8), (10, 9, 7, 6), (11, 10, 9, 7), (16, 15, 13, 12), (17, 16, 15, 13), (25, 24, 15, 13)]\"\n\"[ 0.40277677 -2.46706764 0.88754979 3.0720808 29.07046358 5.46032623\n -2.39469452 1.74751027 3.04404097 -3.04124776 -2.92335019 1.45996237\n -1.10519175]\",[-188.38583256],33902,206,Optimization terminated successfully.,True,481,1.9078867980952157,3up2,176.67443946077793,,28,7,\"[(1, 6, 2, 8), (9, 8, 2, 6), (0, 5, 3, 15), (16, 15, 3, 5), (8, 13, 24, 14), (13, 24, 14, 25), (17, 18, 21, 22)]\"\n\"[ 2.75533786 -1.96093125 -0.54467004 5.79009249 23.92605911 -5.12216027\n -0.39729353]\",[-55.34514521],10456,63,Optimization terminated successfully.,True,480,1.3044277266028854,2x00,35.55255393229335,,37,1,\"[(8, 7, 3, 2)]\"\n\"[ 2.14221411 -2.71719098 1.27698547 8.90465776 1.16466152 24.96550577\n -3.11875228]\",[-116.53861291],9578,56,Optimization terminated successfully.,True,182,1.0699091003779475,1c5z,114.1846138796525,,9,1,\"[(1, 0, 6, 7)]\"\n\"[-0.69291401 1.64359604 0.82369932 20.76192554 26.73684059 18.54842048\n -0.21254363 -1.08209124 -2.01768026 2.10194848 -2.57000593 1.47545086\n -1.07760803 0.60937988]\",[-137.76441307],78819,500,Maximum number of iterations has been exceeded.,False,445,3.347308890410374,3e5a,207.45620062234738,,33,8,\"[(8, 7, 3, 2), (14, 13, 9, 8), (21, 20, 11, 10), (15, 14, 13, 9), (22, 21, 20, 11), (23, 24, 27, 28), (24, 27, 28, 29), (31, 30, 28, 27)]\"\n\"[-1.39984227 0.3783334 -0.10406445 18.15277258 -1.98077165 11.29215579\n -1.06518203 -2.05432728 -2.79341572 -1.71241113 2.50917114 0.09743896\n -2.10728416]\",[-229.57290096],15942,95,Optimization terminated successfully.,True,320,0.9631353758412291,2br1,203.16009257715018,,29,7,\"[(3, 2, 1, 0), (9, 8, 7, 4), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (22, 21, 20, 8), (23, 24, 25, 26)]\"\n\"[ 1.67901886 0.39885062 -0.82083554 -22.58377246 3.61047261\n 15.83103334 2.62805971 -3.1270361 ]\",[-137.03986263],18074,114,Optimization terminated successfully.,True,195,0.06119292235323284,4abg,112.16333266670281,,15,2,\"[(1, 4, 11, 14), (6, 12, 5, 2)]\"\n\"[ 1.15724601e+00 -1.17903722e+00 -1.90366683e+00 -1.88554014e+01\n 3.69982969e+01 -1.76943511e+00 -2.30006220e+00 2.85066364e-02\n -3.13462667e-01]\",[-88.22336979],21735,134,Optimization terminated successfully.,True,316,0.7006773736495289,3bgz,75.06064319939541,,24,3,\"[(16, 15, 1, 8), (6, 5, 3, 0), (10, 9, 8, 1)]\"\n\"[ 2.50558921e-01 1.15500380e+00 1.10455553e+00 3.65430099e+01\n 2.53731157e+01 3.51083926e+01 -4.08831737e-01 1.51164248e+00\n -6.81224353e-01 -3.03381980e+00 1.12732221e+00 -1.98417645e-02]\",[-94.74726419],78572,500,Maximum number of iterations has been exceeded.,False,526,2.9240400589774014,3e93,169.42244379565528,,37,6,\"[(3, 2, 1, 0), (16, 15, 1, 0), (4, 3, 2, 1), (10, 9, 5, 4), (23, 22, 20, 18), (32, 31, 29, 25)]\"\n\"[ 2.76259418 2.48232781 1.07497772 4.29299012 68.18578171 65.87799223\n 2.19534395]\",[-102.68165994],9792,59,Optimization terminated successfully.,True,347,2.2764148572133798,1e66,84.86469073285716,,21,1,\"[(8, 9, 19, 11)]\"\n\"[ 2.16199224 0.84436617 -2.77886793 15.01153394 10.26975403 -1.25708568\n 0.80382672 -0.20384258 2.56034656]\",[-49.23389761],8407,48,Optimization terminated successfully.,True,254,0.710663329699046,4ddh,43.686818730269636,,15,3,\"[(2, 3, 5, 6), (3, 5, 6, 7), (10, 11, 13, 14)]\"\n\"[ 0.37849497 -3.05381698 0.30709343 -5.34275488 53.2561622 12.66115286\n -0.6813632 -0.43294141]\",[-60.5127512],13364,81,Optimization terminated successfully.,True,211,0.6731064945857362,3g2z,36.095931885005754,,13,2,\"[(8, 7, 3, 2), (9, 8, 7, 3)]\"\n\"[-1.45607179 0.3427741 2.07439606 -9.13110374 35.25092127 -0.31375814\n 2.3644858 -0.645781 1.97228913 -2.91661989 1.65097666]\",-62.80904077166912,29820,191,Optimization terminated successfully.,True,299,2.387663278102528,4bkt,49.77733622274265,,19,5,\"[(3, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5), (7, 8, 9, 10), (8, 9, 10, 11)]\"\n\"[ -2.21958825 -0.52348699 -1.08781019 -13.89157647 41.64508261\n 1.28340793 3.11735284 -1.6728257 0.25277454 -2.6288133\n 0.97944724 -2.00801126 2.94174123 -2.25887661 1.10011592\n -0.3684937 0.63781789]\",[-72.07374552],78795,500,Maximum number of iterations has been exceeded.,False,423,3.2119278836849703,3zsx,86.11972939238133,,34,11,\"[(5, 11, 20, 27), (15, 12, 21, 29), (6, 13, 23, 27), (8, 14, 24, 28), (9, 15, 25, 28), (18, 19, 26, 28), (11, 20, 27, 23), (13, 23, 27, 20), (14, 24, 28, 25), (15, 25, 28, 24), (19, 26, 28, 24)]\"\n[ 2.36236257 -2.42158237 -0.25975569 56.84121591 77.53462732 -5.08514772],[-171.49120595],8151,49,Optimization terminated successfully.,True,295,4.854067992306109e-05,2iwx,134.22200917344588,,24,0,[]\n\"[ 2.93885553 1.22485172 -2.9369277 78.21568218 4.97280902 32.68865159\n -1.69721433 0.44049984 0.09840472 1.22622695 1.25941131 0.40201439]\",[-95.4031131],24817,152,Optimization terminated successfully.,True,318,1.8850961097114505,4jxs,97.51338361595454,,22,6,\"[(1, 2, 3, 4), (0, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (15, 14, 11, 10), (14, 18, 19, 20)]\"\n[ 1.89652487 -1.92264172 -0.04648075 17.31863698 16.94088076 21.63638622],[-127.8954216],7641,47,Optimization terminated successfully.,True,285,1.2103660938589904e-05,1r5y,110.20269494565066,,13,0,[]\n\"[ -2.16995767 -1.1246567 -2.43923866 89.7427224 95.02357862\n -43.50413507 -2.98921839 -0.13427678 2.82973855 -2.04192742\n 1.60072985 -1.04328494 1.33576071]\",[-82.54268765],48568,301,Optimization terminated successfully.,True,425,1.9213624075525362,4agp,72.65662804792781,,30,7,\"[(5, 4, 3, 2), (25, 5, 4, 3), (7, 10, 6, 13), (6, 10, 7, 12), (16, 17, 11, 18), (17, 11, 18, 19), (17, 11, 20, 21)]\"\n\"[ 1.12094547 1.61457442 0.11903762 9.56207837 4.66661096 27.75740095\n 2.02948254 0.37690113 -1.19930536 0.6618168 2.83923359]\",-100.543750950093,52766,340,Optimization terminated successfully.,True,552,1.9338379239820431,3fur,97.4076974189855,,31,5,\"[(1, 7, 8, 9), (12, 11, 8, 7), (13, 12, 11, 8), (21, 20, 16, 14), (22, 21, 20, 16)]\"\n\"[ 2.26106771 0.70740518 -1.17307632 25.87318922 31.58390851 18.62694376\n -1.90361075 -1.62287384 1.33103857]\",[-60.60727159],14384,87,Optimization terminated successfully.,True,168,0.9892374554907433,3f3e,49.10201064265689,,9,3,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 6)]\"\n\"[-2.0869935 0.29451169 -0.40074486 26.60223684 0.13526827 30.21944985\n -1.89673278 -1.20583737 0.11254586 -0.687894 -0.28863593 1.20271243]\",[-89.91949562],57499,360,Optimization terminated successfully.,True,617,3.3094489543055428,3gnw,80.69404889084569,,44,6,\"[(3, 2, 1, 0), (10, 9, 1, 0), (30, 29, 13, 9), (32, 33, 36, 37), (38, 37, 36, 33), (39, 38, 37, 36)]\"\n\"[ 0.3349322 2.72370367 2.26893433 58.68785772 37.81303837 20.13189742\n 1.32185411 -1.48147347]\",[-94.69128127],11119,67,Optimization terminated successfully.,True,365,1.2366666586355683,1nc3,46.86509667458969,,19,2,\"[(11, 10, 9, 3), (13, 15, 17, 18)]\"\n\"[ 1.62434658 -1.96906275 0.14656924 17.6697319 17.45713165 20.44642364\n 0.71427677 -2.79743224]\",[-167.74639207],7836,47,Optimization terminated successfully.,True,360,0.19290439986426897,3rr4,159.92455759124095,,18,2,\"[(0, 2, 11, 3), (14, 7, 15, 16)]\"\n\"[ 0.98705045 -1.97395801 -0.93716822 6.70122305 28.83591485 8.01420016\n -1.39854785 -0.33172325 -1.78240941 1.01281075 -0.65557719 1.84907211\n -1.40167323 -1.6640577 -0.62318758 0.51219786 0.2188883 -2.69398751\n 0.07067342 1.18078402]\",[-99.81267626],63739,387,Optimization terminated successfully.,True,394,3.5545669646187625,1a30,53.96165823758106,,26,14,\"[(4, 1, 2, 3), (2, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (13, 10, 11, 12), (11, 10, 13, 14), (10, 11, 17, 18), (10, 13, 14, 15), (11, 17, 18, 19), (21, 18, 19, 25), (19, 18, 21, 22), (18, 21, 22, 24)]\"\n\"[ -2.56503719 -3.00378223 0.6456525 93.68013093 97.04301603\n -44.31104124 -0.63382943 -1.52848008 -2.79277389]\",-83.93555717063444,14898,95,Optimization terminated successfully.,True,397,1.5030531366279165,5aba,71.4961561006094,,23,3,\"[(18, 17, 0, 1), (4, 7, 3, 9), (3, 7, 4, 8)]\"\n\"[-2.32228264 0.85479161 0.24275434 -6.2495392 54.66178407 17.02386793\n 0.25482433 -0.12420202 -2.60187744 -1.29989762]\",[-99.33099188],21738,136,Optimization terminated successfully.,True,338,0.31794350133295707,4de1,87.42884407129367,,23,4,\"[(3, 2, 1, 0), (12, 11, 1, 0), (13, 12, 11, 1), (19, 18, 17, 13)]\"\n\"[ 1.01757699 0.24544638 -2.95202382 -37.42596409 4.0150479\n 11.19198922 -1.91727397 -1.73581583]\",[-44.02508433],14649,92,Optimization terminated successfully.,True,214,0.6838123614619371,3gr2,27.788877916344262,,14,2,\"[(1, 2, 3, 4), (10, 9, 8, 1)]\"\n\"[-2.38957264 -0.08720747 -1.84572448 -0.89431945 41.64620923 23.63398148\n 0.97438045 -0.46898029]\",-33.84063417742958,15541,100,Optimization terminated successfully.,True,199,1.7191090066458135,3g31,18.029261908862765,,17,2,\"[(1, 2, 3, 4), (2, 3, 4, 5)]\"\n\"[ 0.420505 1.64242202 1.55031464 2.81495997 27.45710735 6.14216843\n -1.90253487 -0.33551695 1.5364149 0.46061117 0.27870774 0.959111\n -3.064759 0.86320305 -2.50283991 -0.39551242 -2.37917981 -1.63218191\n -1.77986461 1.01955765 -2.7152748 -0.51372489 1.26749364]\",[-131.98984275],65495,390,Optimization terminated successfully.,True,594,2.9606169968523814,3tsk,118.59160331510947,,40,17,\"[(0, 2, 3, 4), (0, 2, 21, 22), (18, 4, 3, 2), (5, 18, 4, 3), (1, 9, 7, 6), (13, 12, 11, 10), (2, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 30, 31), (22, 25, 26, 27), (25, 26, 27, 28), (23, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 34, 35, 36), (34, 35, 36, 37)]\"\n\"[-1.16828786 -2.3590814 2.92776442 31.02119731 65.84735627 8.1158748\n -0.62600926]\",[-95.767127],7686,42,Optimization terminated successfully.,True,216,0.18404155630050903,3dx2,77.62261362113867,,12,1,\"[(4, 3, 1, 0)]\"\n\"[ 1.99632289 -0.05889553 0.23597078 -26.01434022 3.48088166\n 27.22556257 -3.02388949 -1.61351057]\",[-59.85866439],9859,58,Optimization terminated successfully.,True,214,1.1214329768492732,2wvt,45.55129502548696,,13,2,\"[(4, 6, 7, 8), (1, 10, 11, 12)]\"\n\"[-3.04948945 -0.90136605 0.42775685 43.21429152 6.77859698 -1.45720344\n 0.58630822 -1.36886139 -2.70970481 -0.75478537 2.04964189 -0.04326372\n 0.70608597]\",[-145.89042102],50478,318,Optimization terminated successfully.,True,419,2.083434017691254,2qbq,120.7962450471284,,31,7,\"[(0, 1, 5, 6), (1, 2, 15, 16), (9, 8, 4, 0), (21, 20, 10, 9), (2, 15, 16, 17), (15, 16, 17, 18), (22, 21, 20, 10)]\"\n[ 1.5380044 1.2387573 -0.28390333 7.08947594 81.96974416 0.83542188],[-79.29626454],7292,45,Optimization terminated successfully.,True,267,2.3203897591774824e-05,3jya,84.33426265514461,,16,0,[]\n\"[-0.14146503 -0.6599795 -0.26281022 37.24064684 38.80339562 -7.32046899\n 0.52632046 2.31048761 0.51437639 2.23325627 2.66491574 -2.55805914\n -0.06771271 -2.16565718 -2.10604861 0.6620635 -1.76143953 -1.38181529\n 0.68770076]\",[-130.42475237],77952,500,Maximum number of iterations has been exceeded.,False,401,1.6089377264632334,1qf1,118.92669822864738,,26,13,\"[(0, 1, 7, 9), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (1, 7, 9, 10), (7, 9, 10, 18), (9, 10, 18, 20), (12, 11, 10, 9), (14, 12, 11, 10), (10, 18, 20, 21), (18, 20, 21, 23), (20, 21, 23, 25)]\"\n\"[-1.79947606 2.75880179 1.13041543 34.28158978 24.1625137 28.11273745\n 1.11677227 -2.55613185 1.66683139]\",[-174.17960348],8960,49,Optimization terminated successfully.,True,439,0.812415739993805,4eky,156.04736802785231,,24,3,\"[(14, 11, 0, 1), (9, 10, 12, 13), (18, 20, 22, 23)]\"\n\"[-2.76803435e+00 4.90937897e-01 1.88221637e-01 1.36208857e+01\n 2.00647698e+01 -3.78712192e+01 1.68486659e+00 -6.86714741e-01\n 3.90826055e-01 -1.43016637e-01 -2.43690495e+00 -3.61989546e-02\n 2.93225207e+00 1.66241260e+00 -2.82819974e+00]\",[-179.95602315],79918,500,Maximum number of iterations has been exceeded.,False,509,5.032240680136932,4x6p,230.74065458002744,,40,9,\"[(4, 5, 1, 0), (16, 15, 14, 31), (15, 14, 31, 30), (0, 16, 15, 14), (18, 17, 15, 14), (19, 18, 17, 15), (11, 25, 29, 30), (13, 27, 26, 8), (29, 30, 31, 14)]\"\n\"[-1.97671651e+00 1.42692655e+00 -1.03881592e+00 3.25488682e+01\n 1.80743891e+01 1.16615137e-01 -8.80597184e-03]\",[-68.38181201],17074,108,Optimization terminated successfully.,True,377,0.1373365383572938,3u5j,61.71825566363347,,22,1,\"[(17, 16, 15, 0)]\"\n\"[ 2.1471685 1.44511143 -1.50025256 39.0096273 -11.02425506\n -11.24959602 -0.87207116 -1.49465143]\",[-259.35680965],8885,51,Optimization terminated successfully.,True,365,0.5048916826162125,3kr8,234.23974282507416,,21,2,\"[(10, 18, 1, 0), (12, 19, 20, 7)]\"\n\"[-0.99374455 -2.56988629 -3.12112599 10.60745856 27.68033213 56.43378062\n -1.93031303 0.15773388 -0.30088616 -1.97635106 -0.6164016 0.54661274\n 2.04593081 0.16918374]\",[-258.85766325],49883,316,Optimization terminated successfully.,True,517,0.6607731920246007,1z6e,251.22069774298592,,38,8,\"[(14, 15, 7, 8), (22, 9, 21, 4), (23, 22, 9, 21), (8, 17, 20, 0), (7, 19, 21, 4), (29, 28, 25, 24), (28, 32, 34, 35), (32, 34, 35, 36)]\"\n\"[ -2.81901933 1.32334916 0.17254814 -15.18457629 22.42688008\n -1.72042735 -1.78634867 -1.32978099 -0.08401931 -0.78788625\n -2.27356386 1.68401533 -3.06083633 -1.53013658 0.21616887\n -0.07332473]\",[-79.34422577],81401,500,Maximum number of iterations has been exceeded.,False,527,3.509457198890021,2qnq,122.02951741693673,,41,10,\"[(3, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5), (31, 30, 6, 5), (7, 8, 9, 10), (8, 9, 10, 11), (21, 20, 9, 8), (14, 13, 10, 9), (22, 21, 20, 9), (32, 31, 30, 6)]\"\n\"[ 2.74467145 -0.21405067 -0.5888575 54.22786922 24.09916399\n 102.05705478 1.59187803 2.59354682 2.37370718]\",-103.45300202826728,14592,93,Optimization terminated successfully.,True,340,1.4854227592460898,3u8n,90.68642851812248,,17,3,\"[(9, 10, 6, 0), (7, 12, 14, 15), (12, 14, 15, 16)]\"\n\"[ 2.79937706 -0.74456669 0.85642669 -8.09225529 58.62297644 10.52302351\n -0.47627497 -1.07147974 -2.08708639 0.51305187]\",-89.81588377483445,18381,120,Optimization terminated successfully.,True,307,1.7426039936910762,4de3,80.57387165525923,,21,4,\"[(3, 2, 1, 0), (10, 9, 1, 0), (11, 10, 9, 1), (17, 16, 14, 13)]\"\n\"[ -0.68667141 -1.93553067 1.79933707 -37.59178663 -59.30248559\n -47.6073712 -2.81144305 0.99957755 -1.59856903 -3.0247036\n -2.52922935]\",-163.37518721484685,28896,185,Optimization terminated successfully.,True,405,1.3768596242354294,3n76,141.73380877730935,,22,5,\"[(0, 1, 3, 4), (5, 6, 12, 13), (12, 13, 14, 15), (16, 15, 14, 13), (17, 16, 15, 14)]\"\n\"[-0.38287966 -0.49420963 -0.37693911 -2.20504269 22.5691508 20.82626776\n 1.19885053 0.62285508 -1.99515307 1.17021067 -2.12546156 -0.75904368\n -1.29748438 -1.56137799 1.28085489]\",[-140.9267279],77102,500,Maximum number of iterations has been exceeded.,False,379,3.531748989513731,1k1i,144.29177956095032,,36,9,\"[(2, 0, 9, 10), (1, 5, 6, 8), (0, 9, 10, 22), (9, 10, 22, 23), (13, 11, 10, 9), (17, 13, 11, 10), (13, 14, 19, 21), (26, 23, 22, 10), (31, 26, 23, 22)]\"\n\"[ 3.08237126 1.86007837 1.23473484 -0.89042125 -10.27810546\n 36.10775693 -0.26713862 1.39414952 -2.49159143 1.99393081\n 2.30043341 3.11048393 -2.11217899]\",[-214.97108597],32044,194,Optimization terminated successfully.,True,451,1.270821174961611,3ivg,206.88983079853278,,29,7,\"[(1, 3, 0, 2), (21, 1, 3, 0), (21, 16, 17, 27), (1, 21, 16, 17), (16, 17, 27, 5), (9, 20, 18, 4), (15, 22, 27, 5)]\"\n\"[ 0.62858485 0.12828184 -0.31253312 -7.82514094 15.28074015 20.16247603\n 2.3702182 2.96899479 2.38245731 -0.76976096]\",[-97.2336187],19206,120,Optimization terminated successfully.,True,329,1.9864376411842595,3fv2,89.06429740586682,,20,4,\"[(0, 1, 3, 4), (6, 5, 3, 1), (3, 5, 6, 7), (5, 6, 7, 8)]\"\n\"[ 0.39842202 1.57020027 2.06257619 1.61134076 -10.46697766\n -8.28144543 -1.32455358 0.17779211 -2.12513672 -0.27707216\n -2.8268271 1.14647107]\",[-129.26293015],63271,397,Optimization terminated successfully.,True,425,2.1431540094866235,4j3l,93.7285806149324,,26,6,\"[(11, 0, 10, 9), (10, 0, 11, 1), (13, 2, 1, 11), (2, 1, 11, 0), (8, 9, 10, 0), (4, 15, 14, 3)]\"\n\"[ -0.53482331 2.5625495 2.70873281 -48.70543585 -14.99950482\n -19.76227884 0.69276959 -0.43843585 -0.11751747 -2.98851008\n 1.96803605 1.7043602 2.58864578 0.94162084 -1.54846843\n -2.48403013 -2.29284689]\",[-173.31466653],78957,500,Maximum number of iterations has been exceeded.,False,487,2.9842487773057114,4crc,220.48465103825652,,39,11,\"[(1, 0, 2, 3), (1, 0, 16, 17), (5, 4, 3, 2), (11, 10, 9, 4), (0, 16, 17, 18), (16, 17, 18, 19), (21, 20, 17, 16), (28, 27, 18, 17), (22, 21, 20, 17), (29, 28, 27, 18), (35, 34, 31, 30)]\"\n\"[-2.7546607 1.27515219 -2.71498851 27.25159422 33.17175852 21.1894166\n 2.59847843 1.25947988 0.91920171]\",[-97.5514532],18244,107,Optimization terminated successfully.,True,277,1.3693571540495622,3f3c,81.40270235514018,,13,3,\"[(0, 1, 2, 3), (6, 5, 1, 0), (7, 6, 5, 1)]\"\n\"[-0.60404028 3.089384 2.81244707 28.64908437 68.2841451 10.11332945\n 2.74703201 -0.52056214 -2.47804835 1.94029509]\",[-123.00312372],25788,163,Optimization terminated successfully.,True,356,1.1846451724225169,3ejr,113.52815788435143,,25,4,\"[(3, 2, 1, 0), (13, 12, 1, 0), (4, 5, 6, 7), (14, 13, 12, 1)]\"\n\"[ 1.9455934 -0.91880619 -2.93875459 83.83170938 71.5050824\n -10.6988985 -1.01570342 -0.30011085 0.77954534]\",[-86.08116055],10149,62,Optimization terminated successfully.,True,307,1.1047160157044074,3u8k,53.869444778627944,,16,3,\"[(9, 10, 5, 4), (7, 8, 13, 14), (8, 13, 14, 15)]\"\n\"[ 2.59508035e+00 -2.00783063e+00 2.05575532e+00 1.04030982e+01\n 2.35579532e+01 -1.34990836e-02 9.47723500e-01 -2.38915185e+00\n -7.18460308e-01 -7.70488100e-01 -1.45748210e-01 -5.62260846e-01\n 1.61226221e+00 8.42506667e-01 -2.01625516e+00 -1.41216557e+00\n -2.52216611e+00 -2.15888680e+00]\",[-74.36220227],82188,500,Maximum number of iterations has been exceeded.,False,598,3.2855443297435336,1g2k,125.52621934398167,,45,12,\"[(8, 7, 0, 6), (23, 22, 2, 1), (2, 3, 40, 15), (0, 6, 31, 32), (13, 8, 7, 0), (9, 10, 41, 43), (3, 40, 15, 16), (21, 16, 15, 40), (28, 23, 22, 2), (33, 32, 31, 6), (38, 33, 32, 31), (10, 41, 43, 44)]\"\n\"[-2.48569717 1.97847499 0.0951723 -2.70693901 10.09905435 22.76432624\n 2.97612984 -0.43482363 1.45884401 2.15865894 2.03589175 -1.41883362]\",[-181.05316923],30459,188,Optimization terminated successfully.,True,419,1.256822536647663,2y5h,151.75528229345,,31,6,\"[(7, 6, 5, 3), (12, 11, 10, 7), (19, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28)]\"\n\"[ 3.06546667 2.67258928 1.14399999 3.37135477 -7.89833047 -2.56454206\n -2.52817667 -0.59144055 -0.55358956 -2.87933886]\",[-274.25410578],12375,76,Optimization terminated successfully.,True,425,0.42106919161045536,2wtv,237.52399446147996,,34,4,\"[(2, 22, 1, 6), (13, 12, 10, 9), (17, 16, 15, 14), (18, 17, 16, 15)]\"\n\"[ 0.03676759 2.24722173 -0.43789952 25.420425 11.14247741 33.03224227\n 0.1345444 0.64036803 -1.17889804 1.60871078 -1.14048588]\",[-117.88498072],59828,373,Optimization terminated successfully.,True,291,2.211392884487433,1owh,113.99327019152851,,24,5,\"[(4, 3, 1, 0), (7, 8, 13, 14), (16, 15, 13, 8), (17, 16, 15, 13), (18, 19, 22, 23)]\"\n\"[-1.16276854 2.43093467 -2.13055305 -5.60090752 34.02638073 79.91243576\n -2.78423927 2.11707799 -0.51479267 -3.03793403 -2.42300581 3.10068177\n 1.92319809 2.85524708]\",-222.20350659246458,35735,229,Optimization terminated successfully.,True,438,2.002477584296812,3myg,201.52248623212293,,30,8,\"[(7, 14, 0, 16), (12, 10, 1, 20), (3, 20, 1, 10), (25, 8, 17, 22), (23, 22, 17, 8), (8, 17, 24, 26), (13, 23, 22, 17), (17, 24, 26, 2)]\"\n\"[-0.5780486 -1.83199142 0.88838387 3.8362684 2.94448217 18.24567655\n 1.57917866 2.77374974 1.40248173 -0.18446849 0.48345499 -2.03434522\n 2.87068328 -1.75024024]\",[-76.8001031],47765,304,Optimization terminated successfully.,True,250,3.743184697469291,3u9q,66.34464264525326,,12,8,\"[(1, 0, 2, 3), (0, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10)]\"\n\"[ 1.12219466 1.01601177 1.76854496 40.13727935 29.80806731 29.77521251\n -1.96712136 1.28503522 -1.52835584 -0.23954618 -1.31515307]\",[-161.31608632],27542,172,Optimization terminated successfully.,True,452,0.9256376952481284,3e92,151.93727402603668,,26,5,\"[(1, 3, 21, 19), (10, 9, 8, 5), (17, 16, 15, 11), (17, 18, 19, 20), (3, 21, 19, 18)]\"\n\"[3.45247775e-03 2.66670948e+00 2.23528433e+00 4.90389355e+00\n 5.92637208e+00 1.73531185e+01 2.46927154e+00 8.66821011e-01]\",[-252.10570875],7875,44,Optimization terminated successfully.,True,460,1.7086334029167072,1nvq,238.16092987546804,,36,2,\"[(28, 29, 30, 31), (25, 32, 33, 34)]\"\n[ 0.77040252 1.22689224 2.80053452 -0.97090764 11.06041967 9.38610855],[-93.46739885],6560,39,Optimization terminated successfully.,True,206,1.3188062516537924,2cbv,49.675354632756225,,12,0,[]\n\"[-0.59712192 0.83327941 -1.6744977 -4.7401589 12.5036441 25.87579412\n -0.65182288 0.39406307 -2.71532449 -0.57008541 1.06369261 -0.79062628\n -0.43518143 2.29870713 1.04684054 -2.6872795 ]\",[-54.37270099],71352,439,Optimization terminated successfully.,True,291,4.5602926093844145,3ueu,40.289995753275484,,14,10,\"[(0, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13)]\"\n\"[-0.62305948 0.2049912 -0.33665828 6.78861764 7.96555551 27.2642311\n 0.65473468 0.49399608 0.86215718 -2.98470154 2.33372123 -1.32443667\n 2.9557911 -1.63437782 -1.5787201 -1.26952874]\",[-153.61823301],82030,500,Maximum number of iterations has been exceeded.,False,533,2.0587361949657024,1mq6,127.43887116990253,,36,10,\"[(1, 0, 7, 8), (0, 7, 8, 9), (11, 10, 8, 7), (10, 11, 19, 20), (11, 12, 17, 18), (11, 19, 20, 21), (23, 22, 20, 19), (24, 25, 28, 29), (25, 28, 29, 30), (32, 31, 29, 28)]\"\n[-2.01683024 1.50480366 -0.14696051 16.90078799 17.00690688 21.32242431],[-166.12517128],5971,34,Optimization terminated successfully.,True,249,3.0900315768609284e-05,1s38,145.8351641772973,,13,0,[]\n\"[-1.42477122 -0.38272417 -1.4626455 18.26767483 19.49855416 27.47255863\n -0.95077119 -1.28214944 1.3742757 -1.34782852 -1.36104005 0.42682899\n -0.03033846]\",[-149.49990836],50238,310,Optimization terminated successfully.,True,395,1.6149416086583632,1sqa,136.5628216999017,,31,7,\"[(3, 2, 1, 0), (4, 5, 6, 7), (5, 6, 7, 8), (10, 9, 7, 6), (13, 12, 11, 10), (14, 13, 12, 11), (20, 21, 26, 27)]\"\n[ 1.00151554 0.99154153 -2.17697165 3.88156386 54.33284639 -4.83635129],[-148.34192095],6306,36,Optimization terminated successfully.,True,330,4.7785840346647944e-05,2wer,129.09557991643328,,25,0,[]\n\"[ -1.23902546 -2.85747117 -0.47773981 6.74816755 -13.59928277\n 25.03502766 1.25688772 -2.10064248 1.2352587 1.9651171\n 1.45422172 1.36516057 0.25843333 -2.38962723 -1.02442597\n 0.26956246]\",[-103.98902983],80823,500,Maximum number of iterations has been exceeded.,False,542,2.8962097986373974,3arp,73.4317398189366,,34,10,\"[(4, 9, 29, 28), (11, 12, 20, 21), (12, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29)]\"\n\"[ 1.4708981 -2.27384588 2.82762221 -8.8850989 -23.35378148\n 22.62844921 -0.07932232 0.99396725 2.9010953 -1.41852152\n 0.1097383 -0.1789026 ]\",[-273.0755095],25883,154,Optimization terminated successfully.,True,423,1.4355763246624729,4eor,244.28851186991886,,28,6,\"[(23, 22, 0, 14), (4, 3, 2, 16), (15, 16, 2, 3), (9, 10, 25, 13), (14, 15, 16, 2), (12, 23, 22, 0)]\"\n\"[ 2.03336761 2.06904558 -1.28478055 29.14947234 -28.77644086\n 3.8020105 -0.65061 2.23657457 -1.77396316 1.68934252\n -1.87598277 -2.84304652 2.10490254 0.22294432 0.54678518\n 0.2060844 0.23837078]\",[-77.97238374],77805,500,Maximum number of iterations has been exceeded.,False,500,4.114371603877811,4cig,85.95337895002996,,37,11,\"[(2, 10, 18, 28), (14, 11, 19, 30), (5, 12, 23, 28), (3, 13, 24, 29), (4, 14, 25, 29), (11, 16, 35, 21), (8, 17, 36, 22), (10, 18, 28, 23), (12, 23, 28, 18), (13, 24, 29, 25), (14, 25, 29, 24)]\"\n[-0.21357602 -0.99673409 -0.1381618 4.48295802 67.44741819 63.62321336],-57.33626212458816,7047,45,Optimization terminated successfully.,True,289,2.1809396777730896,1gpn,45.62710081128508,,19,0,[]\n\"[-1.50084548 -0.12642791 -1.70458182 2.55204556 5.13788949 26.93755988\n -0.03259894 -2.49862047 -0.98421105 1.54853486 -0.50975094 1.43074595\n -2.53034562 1.8782841 1.93442345 1.44448592 1.00966708]\",[-97.34507537],77211,500,Maximum number of iterations has been exceeded.,False,634,3.696057103051051,1lpg,193.221493056016,,41,11,\"[(1, 0, 33, 34), (15, 9, 7, 3), (6, 8, 10, 11), (17, 15, 9, 7), (8, 10, 11, 12), (13, 12, 11, 10), (27, 13, 12, 11), (20, 16, 21, 22), (24, 25, 29, 30), (35, 34, 33, 0), (36, 35, 34, 33)]\"\n\"[ 1.2232927 2.96540257 1.89633541 -40.74825169 2.28457246\n 5.09237415 0.84591116 0.56144902 -0.28836765 2.1100038\n -0.97799679]\",[-107.98616911],61066,390,Optimization terminated successfully.,True,448,3.2876350471126,5dwr,125.11777405086184,,32,5,\"[(22, 3, 21, 4), (6, 5, 4, 20), (3, 21, 4, 5), (11, 10, 9, 8), (28, 27, 26, 3)]\"\n\"[ 4.54643064e-01 -2.74024132e+00 -1.31647263e+00 2.67872508e+01\n 3.41160610e+01 2.77858831e+01 -2.97150610e-02 -1.01042833e-01\n -2.49760700e-01 -5.00789110e-04]\",[-250.65261977],12618,73,Optimization terminated successfully.,True,420,1.7784645301654378,2xnb,191.58485834253145,,27,4,\"[(7, 6, 5, 0), (13, 12, 11, 8), (14, 13, 12, 11), (20, 19, 18, 14)]\"\n\"[ 1.63289879 1.96985552 0.51009921 11.25438446 20.63436722 -4.32953608\n -0.43423731 -0.26085063 -0.83391581 1.0046616 0.31132132 -0.81442435\n 1.05991786 -1.19165535 -0.46256527 -1.08501742 0.53751109 1.03441231\n -0.65895462 2.50538294 -1.90068043]\",[-119.22503163],84828,500,Maximum number of iterations has been exceeded.,False,656,2.9786084927016496,1eby,302.5288276846096,,48,15,\"[(1, 0, 22, 21), (7, 6, 12, 13), (6, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (13, 14, 25, 26), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (16, 17, 21, 22), (38, 20, 18, 17), (39, 38, 20, 18), (0, 22, 21, 17), (28, 27, 25, 14), (29, 28, 27, 25)]\"\n\"[ 0.5827452 -0.3770837 -1.5538821 9.75805094 2.17545782 13.34317274\n -0.37032434 -2.7808982 ]\",[-136.32366431],10986,65,Optimization terminated successfully.,True,234,1.6230162200691698,3b27,118.77863394289344,,16,2,\"[(3, 2, 1, 0), (10, 9, 8, 3)]\"\n\"[ 1.45109925 1.11809868 3.02503632 -34.34718585 2.05921824\n 18.960863 -0.80062029 -0.88186502 1.47302012]\",[-90.02892344],18205,114,Optimization terminated successfully.,True,522,0.613204579675201,2p15,68.51993971121817,,32,3,\"[(1, 18, 20, 21), (23, 22, 21, 20), (22, 27, 28, 29)]\"\n\"[ -2.73755482 -0.17617811 -0.13061254 19.26672137 -29.73086849\n 13.71895009 -2.57682752 0.64854666 -1.32878669 -1.963633\n -0.2697198 1.35902737 -2.55326777 -0.69821513]\",[-146.21690623],78024,500,Maximum number of iterations has been exceeded.,False,589,5.443096080462264,3oe5,138.49601558214076,,31,8,\"[(10, 6, 2, 1), (0, 4, 5, 9), (26, 10, 6, 2), (5, 9, 11, 12), (9, 11, 12, 13), (14, 13, 12, 11), (15, 14, 13, 12), (17, 18, 20, 24)]\"\n\"[-1.05361494 -2.23060912 1.73224621 18.97294832 16.66802789 50.32347237\n -0.2164374 0.33760342 -3.0838052 0.16823561 -2.97007902 -0.16215888\n 0.64433705]\",-67.40839145522523,54738,348,Optimization terminated successfully.,True,358,2.454897760729268,2yfe,68.40220988326412,,25,7,\"[(5, 4, 3, 1), (6, 5, 4, 3), (5, 6, 8, 9), (10, 12, 13, 14), (7, 16, 17, 18), (19, 18, 17, 16), (20, 19, 18, 17)]\"\n\"[ 4.51286716e-01 -1.39783430e+00 -2.41720555e+00 7.60722366e-01\n 6.64807821e+01 6.48769528e+01 -2.22610772e-01 -1.50568318e+00\n -2.07050486e+00 2.54573174e+00 5.23366365e-01 6.96623113e-01\n -5.68089829e-01 8.72456561e-01 -8.03936580e-01 -2.88716639e-02\n -2.72704478e+00 2.08866406e+00 2.11935052e-01]\",[-73.57479473],78992,500,Maximum number of iterations has been exceeded.,False,471,5.614264337889011,1h22,77.06853582349702,,34,13,\"[(3, 8, 11, 12), (8, 11, 12, 26), (11, 12, 26, 27), (22, 21, 24, 25), (21, 24, 25, 33), (24, 25, 33, 32), (12, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 25)]\"\n\"[ 1.67228765e+00 -2.66381738e+00 7.82511488e-01 3.71925077e+01\n -1.27173887e+00 1.16312170e+01 -1.82280653e+00 1.14457973e+00\n 1.73608835e-02 -1.09329164e+00]\",-69.23257115893841,15381,100,Optimization terminated successfully.,True,241,2.0466171923423344,3dxg,58.19802553014336,,21,4,\"[(9, 8, 0, 1), (11, 12, 15, 16), (12, 15, 16, 17), (15, 16, 17, 18)]\"\n\"[ -2.23897042 -1.17708613 2.01615115 123.33590882 136.02055264\n 64.75157273 -3.00249555 -0.92985835 0.52345101]\",-70.9037046940169,21171,136,Optimization terminated successfully.,True,290,2.0041731381653753,3pxf,64.95796223302773,,21,3,\"[(12, 8, 0, 1), (13, 12, 8, 0), (7, 10, 9, 18)]\"\n\"[ -0.68036959 -0.8457377 -1.99759516 -18.25231107 -33.32706527\n 16.78841114 0.99754297]\",[-58.77114119],10134,58,Optimization terminated successfully.,True,201,0.8644291917794127,4owm,48.905652039976445,,11,1,\"[(4, 3, 1, 0)]\"\n\"[-1.62853789 2.12763045 -2.74803411 -3.66502772 -4.02318714 22.7905948\n 1.32331658 -0.36284807 -1.49612002]\",-67.41883589852029,21630,139,Optimization terminated successfully.,True,270,1.7775619929817035,4mgd,62.414925787192516,,19,3,\"[(0, 6, 7, 8), (6, 7, 8, 9), (13, 12, 7, 6)]\"\n\"[ 2.13986603 -2.74969684 -1.59483612 12.93676242 0.97044556 38.49656043\n -0.20850749 2.51930274 -1.07303256 1.5784907 ]\",[-119.84107247],16590,103,Optimization terminated successfully.,True,374,1.3818560501708206,2xb8,107.56119296391364,,22,4,\"[(3, 2, 1, 0), (9, 8, 7, 4), (10, 9, 8, 7), (9, 17, 18, 19)]\"\n\"[-1.29795707 -0.91203115 -3.07830468 15.8479378 2.20169251 15.62554688\n 1.22487922 2.77176958 0.03942506 -1.32017165]\",-92.68251445751832,8631,55,Optimization terminated successfully.,True,248,1.480097079683711,1p1n,74.77397037587319,,15,4,\"[(0, 4, 10, 11), (4, 5, 6, 8), (5, 6, 8, 12), (1, 7, 9, 3)]\"\n\"[-2.48471948 2.89423564 2.09692112 17.70623457 3.81696514 12.85534568\n 1.879529 -2.03951773 2.99276505 -1.84873996 2.55959043]\",[-131.25714051],28910,178,Optimization terminated successfully.,True,274,1.395621941227726,3ryj,85.4854681217078,,18,5,\"[(4, 6, 0, 14), (13, 1, 9, 2), (9, 1, 13, 15), (5, 3, 9, 1), (1, 13, 15, 10)]\"\n\"[ 1.48541547 0.3647821 -1.91047792 27.83410662 -5.04443306 19.456712\n 2.98858911 1.63607342 -0.6837983 1.70176208 3.11313107 0.07614008\n 3.06250335 1.36604118]\",[-78.39695618],78174,500,Maximum number of iterations has been exceeded.,False,399,4.819696385491829,3jvs,53.342911076744045,,30,8,\"[(0, 3, 1, 17), (3, 1, 17, 2), (17, 4, 7, 19), (7, 4, 17, 1), (4, 7, 19, 5), (21, 23, 10, 8), (21, 20, 19, 5), (23, 25, 26, 27)]\"\n\"[-1.34173519 -0.58258 -2.03973531 6.76607208 56.0078176 -0.24352944\n 2.80505805 2.51413142 2.72757516]\",[-245.74214192],13978,85,Optimization terminated successfully.,True,385,0.20946135948739306,4ivc,220.5312775141466,,24,3,\"[(4, 3, 1, 0), (16, 15, 4, 3), (17, 18, 21, 22)]\"\n\"[ 1.7117857 2.38301963 1.30909302 -22.37200382 13.98979017\n -16.0019967 -0.78770418 -0.13022313 0.70864557 0.68964129\n 0.11238852 -1.04300729 0.11672159]\",[-88.15397202],76202,482,Optimization terminated successfully.,True,318,1.4325779092713642,3cj4,76.92800768121491,,25,7,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (8, 7, 5, 4), (9, 8, 7, 5), (8, 14, 15, 16), (18, 17, 15, 14)]\"\n\"[ 2.49557868e+00 -2.28654498e+00 -1.83618850e+00 1.80002638e+01\n -1.70163366e+01 2.21929227e+01 -1.62427555e-01 2.55739463e+00\n 2.88573500e+00 3.39618415e-01 1.66551288e-01 -1.04700022e-02\n 1.46570117e+00 -4.23100262e-01 1.28062011e+00]\",[-93.78296769],77150,500,Maximum number of iterations has been exceeded.,False,448,1.883624954811029,2zda,165.4996477100599,,29,9,\"[(1, 0, 18, 19), (0, 1, 2, 3), (1, 2, 4, 5), (6, 5, 4, 2), (7, 6, 5, 4), (8, 9, 10, 11), (0, 18, 19, 20), (23, 21, 19, 18), (24, 23, 21, 19)]\"\n[ 2.83998255 0.54311013 -2.06726788 31.74304881 7.55748806 57.2306727 ],[-68.53549354],8021,50,Optimization terminated successfully.,True,216,1.0060200462279822,4pcs,60.93093575304732,,16,0,[]\n\"[-1.75158618 0.53694502 -2.55306256 -3.02752579 -5.44177008 -6.06656159\n -0.20879441 -0.8840309 -1.30189587 1.82236831 1.11901527 -2.77063828\n 0.66847525 -1.40661308]\",[-91.36813701],29806,183,Optimization terminated successfully.,True,262,2.4004253388878998,3nx7,72.72375009386013,,20,8,\"[(0, 1, 3, 4), (13, 12, 1, 0), (1, 3, 4, 5), (1, 3, 9, 10), (3, 4, 5, 6), (4, 5, 7, 8), (3, 9, 10, 11), (14, 15, 18, 19)]\"\n\"[ 1.83532211 0.84890386 -0.94271659 4.48573796 13.20143532 45.00310285\n -0.25770277 -0.92473192]\",[-79.07720355],21956,138,Optimization terminated successfully.,True,286,0.7573924167957771,3uuo,60.621356410299256,,23,2,\"[(10, 20, 6, 2), (0, 7, 22, 16)]\"\n\"[ 2.23230459 2.84182915 -1.29509139 21.31772941 -14.45753681\n -7.21579353 2.48055471 2.69820573 0.35893916]\",[-113.18275607],28716,181,Optimization terminated successfully.,True,349,1.5869529720095499,4dli,111.24484858525298,,21,3,\"[(10, 19, 1, 0), (20, 17, 5, 0), (15, 20, 17, 5)]\"\n\"[-0.84679032 -1.50567566 0.93856081 -0.52020519 31.43110106 -4.1951103\n 0.09154172 -0.21633894 -0.51528201 -2.52502021]\",-179.1482001697516,9381,60,Optimization terminated successfully.,True,379,1.060113462338563,1yc1,150.7796323373391,,27,4,\"[(10, 9, 8, 0), (9, 10, 11, 12), (18, 17, 15, 9), (18, 19, 20, 21)]\"\n\"[ 2.12064242 -0.15621332 -0.92422126 -4.80330226 9.34210995 14.02978157\n -2.14027209 2.60064425 -0.43708342 0.90168781 -0.62663237]\",[-145.26460004],9990,56,Optimization terminated successfully.,True,448,1.2304893942025612,4m0z,125.05635647660287,,24,5,\"[(13, 12, 0, 1), (1, 2, 9, 10), (2, 3, 5, 6), (3, 5, 6, 7), (19, 20, 22, 23)]\"\n\"[ -0.18131926 -0.97523117 -0.73962017 -28.04971257 -3.72611284\n -19.92942966 -1.7962751 1.76185779 -0.56573654]\",[-77.65039694],11902,73,Optimization terminated successfully.,True,287,1.4322327549435396,3f3a,60.302242857013766,,15,3,\"[(5, 4, 1, 0), (0, 1, 2, 3), (6, 5, 4, 1)]\"\n\"[ 1.14153085 -1.69979645 -0.48722422 16.53580951 -8.73102141 19.20500861\n -2.97134979 -1.40506291 2.92679774 -0.21291155]\",[-121.96332211],31053,197,Optimization terminated successfully.,True,396,1.744082864197658,1oyt,133.76828613931303,,30,4,\"[(4, 3, 2, 1), (5, 4, 3, 2), (21, 20, 19, 15), (22, 23, 26, 27)]\"\n\"[ 2.14655291 2.79959536 0.55125914 5.70649795 8.85087613 1.32019526\n 1.96125143 -0.25460644 2.31513717 -0.22270426 -0.90980717 0.11127605\n 1.64110647 -0.1797598 ]\",[-184.56746366],35967,227,Optimization terminated successfully.,True,488,4.1895303248720035,1ydt,115.24936768017473,,27,8,\"[(9, 0, 10, 13), (0, 10, 13, 14), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (26, 20, 19, 18)]\"\n\"[ 0.43698825 0.59685898 -2.68265981 -23.74943558 -53.5615479\n -12.01315957 -1.52217781 -1.49639068 -0.42910404 2.39439715\n 0.77413904 1.46327431 0.68793897 1.2614665 -2.35790967]\",[-160.26169282],76110,500,Maximum number of iterations has been exceeded.,False,493,5.333104080915645,4cra,136.72215622783187,,38,9,\"[(3, 2, 0, 1), (1, 0, 14, 15), (0, 14, 15, 16), (14, 15, 16, 17), (19, 18, 15, 14), (15, 16, 37, 36), (20, 19, 18, 15), (28, 29, 36, 37), (29, 36, 37, 16)]\"\n[-1.69019933 -1.07722169 -0.97885185 3.8447106 13.92934182 44.78886827],[-66.39654117],8801,51,Optimization terminated successfully.,True,182,0.0006575943825826782,4llx,46.00681905502064,,9,0,[]\n\"[-1.47457988 2.44319846 -1.90454134 36.0701572 41.11027997 -2.87927568\n -1.70430725 -0.98299193 1.05311777]\",[-78.46793199],12814,77,Optimization terminated successfully.,True,229,1.3590596109564799,3fcq,42.252296413253035,,14,3,\"[(3, 2, 1, 0), (4, 3, 2, 1), (3, 9, 10, 11)]\"\n\"[ 1.9228144 1.98530481 -0.40091096 15.38707575 -12.47827948\n 20.47605791 -2.885195 0.07706447 -1.31319524 1.06163967\n 0.16562078 -0.3429053 0.83710125 -2.67909378 -2.78558777\n 2.99134581 -2.61502118 -2.97512939 -2.91213075 -2.15631729\n -2.29449195 -2.38840144]\",[-133.45563624],80098,500,Maximum number of iterations has been exceeded.,False,598,2.9114743294974477,3utu,225.23874785173234,,47,16,\"[(8, 2, 0, 6), (2, 0, 13, 24), (10, 5, 4, 3), (14, 12, 24, 13), (30, 29, 12, 14), (0, 13, 24, 12), (17, 16, 15, 28), (16, 15, 28, 26), (12, 24, 25, 26), (24, 25, 26, 27), (25, 26, 28, 15), (29, 30, 31, 32), (30, 31, 36, 37), (38, 37, 36, 31), (39, 38, 37, 36), (40, 41, 42, 43)]\"\n\"[ 1.88536751 -2.31030069 2.25641026 44.39209248 6.6837202 26.10199385\n 1.90597346]\",[-66.54415983],9356,57,Optimization terminated successfully.,True,267,1.5957269288429616,3n7a,57.976764848778394,,12,1,\"[(0, 11, 7, 8)]\"\n\"[ 0.77687629 2.34924145 2.64112027 33.73334129 -13.08119914\n 6.35106099 -1.43560433 -3.01874056 -0.251457 ]\",[-148.69045707],22689,142,Optimization terminated successfully.,True,300,1.4166125374990755,4gfm,125.98788938686847,,18,3,\"[(1, 0, 4, 9), (5, 9, 4, 0), (6, 5, 9, 4)]\"\n\"[ 1.68000012e+00 -1.61662373e+00 3.02689635e+00 1.76151478e+01\n 1.68112595e+01 1.85627879e+01 -1.72201253e+00 1.07100256e-02\n 6.07700426e-01 2.41249114e+00 2.43333620e+00 1.08295157e+00]\",[-229.91366102],41405,256,Optimization terminated successfully.,True,444,2.724228660605535,3ge7,231.22455539767822,,26,6,\"[(6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (12, 11, 10, 9), (13, 12, 11, 10), (18, 19, 20, 21)]\"\n[-2.44611209 -0.12904555 0.17595033 12.90999453 -9.95049024 21.28300151],[-48.23941548],9069,54,Optimization terminated successfully.,True,341,1.1186888350383896e-05,3arv,42.80070996009695,,25,0,[]\n\"[ 1.71095477 -2.10017965 1.404506 -5.36231452 26.36683479 -3.4753273\n 2.44185282 -1.6514714 2.89271092 -1.32286581 -2.31539085 1.2945996\n 1.3398376 0.11138608 -2.11460234 -2.30935612 -0.83400155 -1.88223961\n -0.63728074 0.03946997]\",[-96.3655052],81504,500,Maximum number of iterations has been exceeded.,False,586,2.6142817941661236,4gr0,173.93985279645779,,44,14,\"[(0, 3, 4, 5), (0, 3, 33, 34), (14, 5, 4, 3), (3, 4, 22, 23), (2, 14, 5, 4), (9, 8, 7, 1), (17, 21, 11, 10), (4, 22, 23, 24), (27, 26, 23, 22), (3, 33, 34, 35), (33, 34, 35, 36), (34, 35, 38, 39), (35, 38, 39, 40), (38, 39, 40, 41)]\"\n\"[-1.20746074 -0.51655247 3.13232669 39.12301743 34.87558594 29.61998247\n -1.208924 -0.18528876]\",[-112.19921357],9623,60,Optimization terminated successfully.,True,379,1.4298443399320646,3ebp,36.45759984564445,,28,2,\"[(8, 7, 4, 3), (21, 20, 10, 9)]\"\n\"[ 0.05050931 -2.60210576 1.02443655 15.88999797 3.95835747 15.71858584\n -0.87934889]\",[-133.69163465],6550,38,Optimization terminated successfully.,True,191,1.062718201086333,2weg,105.70536316503154,,11,1,\"[(2, 3, 6, 7)]\"\n\"[ 0.29427893 -1.91237175 0.3657702 -8.73469423 53.33327302 15.30625246\n 1.74673951 -2.64811664 -1.8372342 -1.45540096 3.08513 1.36307142]\",-102.78923569126107,29757,188,Optimization terminated successfully.,True,341,2.1841890083726563,4de2,82.62482066207644,,24,6,\"[(3, 2, 1, 0), (13, 12, 1, 0), (5, 6, 7, 8), (6, 7, 8, 9), (14, 13, 12, 1), (20, 19, 15, 14)]\"\n\"[ 2.03497773 0.99669926 1.56862697 -19.55331423 25.07821912\n 10.7554589 -3.10581515 2.92635133 -0.30354318 -0.28912869\n 0.64168187 -2.62896263 2.35811831 1.78636399]\",-122.23602836411983,77469,500,Maximum number of iterations has been exceeded.,False,641,2.904252858226575,3ozs,135.9734688925483,,33,8,\"[(10, 6, 2, 1), (0, 4, 5, 9), (5, 9, 15, 16), (11, 12, 14, 28), (9, 15, 16, 17), (18, 17, 16, 15), (19, 18, 17, 16), (21, 22, 24, 31)]\"\n\"[ 0.87866946 -1.29364037 -1.02124539 6.64893937 24.93648666 14.96227963\n 2.78603674 2.4525123 -2.94948847 1.20812135 -0.80049768 -3.06409214\n 0.39289374 0.16518249 -1.33979212 -1.56851587 -0.03101834 -0.94022262\n -2.43570093 -1.06548142 2.00004057 -0.95239691]\",[-80.11019305],79086,500,Maximum number of iterations has been exceeded.,False,528,3.780040338690598,3bv9,92.78521904804435,,47,16,\"[(0, 1, 2, 3), (0, 1, 9, 10), (1, 2, 3, 4), (3, 4, 5, 6), (12, 11, 9, 1), (11, 12, 13, 14), (23, 22, 13, 12), (22, 23, 24, 25), (23, 24, 29, 30), (24, 29, 30, 31), (29, 30, 32, 33), (30, 32, 45, 34), (36, 35, 34, 42), (35, 34, 42, 44), (35, 34, 45, 32), (37, 36, 35, 34)]\"\n\"[-7.73080989e-01 6.02338391e-01 -1.45095458e+00 1.22404556e+01\n 5.32287217e+01 8.41262446e+01 -5.60492905e-01 4.34092328e-02\n -2.14869042e+00 1.62613224e+00 1.21314163e+00 -2.28335297e+00\n 3.26721589e-01 2.82867575e-01 1.98403554e-01 -9.44765484e-01]\",[-70.62685375],81520,500,Maximum number of iterations has been exceeded.,False,389,2.961311910442974,4w9h,88.9414948271559,,33,10,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (3, 4, 9, 10), (12, 11, 9, 4), (11, 16, 17, 18), (16, 17, 19, 20), (21, 20, 19, 17), (22, 21, 20, 19), (28, 27, 26, 23)]\"\n\"[ -2.78587555 0.06629627 1.33089516 -16.50000287 10.41504087\n 31.99474567 -2.44424106]\",[-86.24317882],9404,57,Optimization terminated successfully.,True,285,0.8953857463813831,4j28,57.71788240362489,,17,1,\"[(9, 8, 7, 1)]\"\n\"[-2.68290471 1.05575366 -1.57670693 -3.21237369 16.36796864 19.07379942\n 1.8666844 0.25022372 1.45334265 -1.1296704 -1.76116448 2.16597157\n 2.39435031 -3.13963506 -0.78067807 0.79829915 0.55752289 0.24342246\n -0.55502022 1.76904581 -0.62908305 3.04981872]\",[-48.36098064],78028,500,Maximum number of iterations has been exceeded.,False,354,4.408103526551573,3uex,48.97672383220039,,20,16,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[-1.82108358 2.59274691 0.4241039 -0.54970211 11.31534371 8.79851922\n -2.62054182]\",[-117.86981323],5090,28,Optimization terminated successfully.,True,225,0.6573618610688956,2j78,93.42419209385497,,13,1,\"[(3, 10, 11, 12)]\"\n\"[ 2.01941659 0.87503454 -2.54951576 6.69372829 -10.52769019\n 4.13062085 1.46008494 1.21628938 1.9378895 ]\",[-119.77860245],8902,53,Optimization terminated successfully.,True,297,1.2220713895443822,2vvn,121.25873414626828,,16,3,\"[(3, 4, 5, 13), (8, 6, 12, 15), (6, 12, 15, 7)]\"\n\"[-0.58153773 -2.81327099 0.33589823 -7.63218554 -6.08468461 3.5643624\n -1.19110976 -0.85471631 -0.70712728 2.9680923 -0.16064676 0.20227683\n -2.80938229 2.65906889 0.59927952]\",[-79.5367147],76110,500,Maximum number of iterations has been exceeded.,False,376,2.886565302446979,2wca,60.14132898193205,,27,9,\"[(0, 1, 2, 3), (1, 2, 3, 4), (6, 5, 3, 2), (7, 6, 5, 3), (9, 11, 12, 13), (15, 16, 17, 18), (16, 17, 18, 19), (21, 20, 18, 17), (22, 21, 20, 18)]\"\n\"[-0.12067975 1.22057592 -0.38661665 27.60360787 0.81275379 5.71879581\n -2.49617096 3.12368807 -1.37284241 2.30468727 0.61415738 0.53053556\n -1.26196146]\",[-116.26239715],79402,500,Maximum number of iterations has been exceeded.,False,449,4.297907993600214,3b5r,85.1403844418949,,28,7,\"[(0, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 13, 14), (16, 15, 13, 10), (17, 16, 15, 13), (17, 23, 24, 25)]\"\n\"[ -1.12955461 1.43626576 -0.67454585 -31.92556328 -8.34993815\n 11.17445912 -2.98461408 -1.61857633 -0.58918124]\",-84.52074777960345,38919,252,Optimization terminated successfully.,True,288,1.9665087979777196,4ih5,42.65884057904971,,17,3,\"[(2, 0, 11, 12), (1, 5, 12, 11), (5, 12, 11, 0)]\"\n\"[ 1.29008797e+00 -1.33518471e-02 -3.02710888e+00 -7.25562045e+00\n 1.51143902e+01 1.94919016e+01 -1.18590694e+00 -1.51898604e+00\n -1.77588364e+00 -1.18064792e-01 -7.18724183e-03]\",[-88.68623493],15420,95,Optimization terminated successfully.,True,367,1.514066693971103,3fv1,67.7849803014591,,21,5,\"[(3, 2, 1, 0), (8, 11, 12, 13), (8, 11, 15, 16), (11, 15, 16, 17), (15, 16, 17, 18)]\"\n\"[ 2.91809469e+00 2.96833333e+00 1.36355707e+00 2.59877744e-02\n 3.60873128e+01 1.03673977e+02 -9.15794782e-01 -1.72786852e+00\n -2.55154668e+00 1.62886686e+00 -1.65603154e+00 -2.45310224e+00\n 8.23123997e-01]\",[-110.49215259],16884,104,Optimization terminated successfully.,True,373,2.0718787178377602,4dld,90.63003651700863,,21,7,\"[(2, 3, 0, 13), (11, 4, 5, 8), (1, 11, 4, 5), (4, 5, 8, 7), (16, 17, 6, 18), (17, 6, 18, 19), (11, 16, 17, 6)]\"\n\"[ -0.96474359 -0.74716159 -0.6462749 23.88136998 -11.54299184\n 10.67153927 0.04524889 -0.78701768 2.13985348 2.402601 ]\",[-191.4676359],37252,245,Optimization terminated successfully.,True,379,3.1684890161005765,3qgy,180.134754101348,,30,4,\"[(8, 7, 6, 4), (19, 18, 17, 15), (20, 19, 18, 17), (20, 24, 25, 26)]\"\n\"[-1.55583286 2.35464978 0.91546012 32.703396 -0.66032884 5.84828266\n -2.26824733 2.75924014 0.88827156 -2.0238024 1.29757335 -2.34082909\n -2.37863893]\",[-90.54282725],79346,500,Maximum number of iterations has been exceeded.,False,458,1.7335400234935148,1z95,109.98618235344968,,29,7,\"[(0, 6, 7, 8), (6, 7, 10, 11), (7, 10, 11, 12), (10, 11, 14, 15), (17, 16, 14, 11), (18, 17, 16, 14), (18, 24, 25, 26)]\"\n\"[ 3.068191 2.11361337 1.08929287 22.2068305 -34.81421578\n -4.61279285 2.80353837 0.52460005 1.84583122 -0.67240772\n -0.71722555]\",[-116.17488253],12926,76,Optimization terminated successfully.,True,404,0.477867043107215,2yge,79.25611411443597,,40,5,\"[(0, 5, 24, 25), (8, 9, 27, 28), (13, 14, 32, 33), (14, 15, 36, 37), (14, 32, 33, 34)]\"\n\"[-2.31497624 2.73164761 2.2565096 -8.59773554 24.63723247 15.01943185\n 0.52220579 -2.69420974 -1.12217376 0.21558701 2.56362077 -1.6411409\n -0.22920817]\",[-217.14335656],80116,500,Maximum number of iterations has been exceeded.,False,678,6.456368902714842,3nw9,192.4340723785423,,38,7,\"[(8, 9, 0, 1), (3, 5, 13, 14), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (20, 19, 17, 16), (24, 23, 21, 20)]\"\n\"[ 1.44226827 -1.84980635 0.44795361 17.41574752 16.82853873 19.6661525\n -1.26121717 1.60618748 0.10001834]\",[-283.95029902],8207,48,Optimization terminated successfully.,True,392,0.6110236081262789,3gc5,240.42627633101952,,20,3,\"[(6, 7, 8, 9), (7, 8, 9, 10), (12, 13, 14, 15)]\"\n\"[ 0.43209317 0.66595727 -2.55636222 14.0353064 -6.57142714\n -10.12234643 -2.96976852 -1.81789977 -2.21938698 1.99272267]\",[-86.45483606],17775,112,Optimization terminated successfully.,True,386,0.9294498374350965,4wiv,54.85300656671094,,27,4,\"[(7, 6, 2, 1), (13, 14, 8, 10), (8, 10, 22, 23), (10, 22, 23, 24)]\"\n\"[ -2.76573211 2.55610113 1.1555514 -32.00714355 31.40817033\n 0.69972602 -0.75374397 0.59976782]\",-112.21595774054865,8853,56,Optimization terminated successfully.,True,322,0.6797673211008912,3zt2,104.25770814777016,,23,2,\"[(12, 14, 7, 3), (7, 8, 15, 18)]\"\n\"[ 1.9341334 -0.07362343 -1.74268736 8.71748782 2.01649918 25.26560787\n 2.87462647]\",[-171.52305703],8234,48,Optimization terminated successfully.,True,227,0.16457185330167656,1o5b,160.93469205410895,,13,1,\"[(4, 1, 0, 2)]\"\n\"[-2.80099623e+00 -9.20896211e-03 4.64206848e-01 9.94174043e+00\n -2.45101781e+01 -1.83244083e+01 2.68480255e+00 9.43860648e-02\n -2.74852021e+00 -2.89256831e+00 -1.29595900e+00]\",[-173.40099727],22032,137,Optimization terminated successfully.,True,465,2.54637021894686,4jia,158.9077214320048,,31,5,\"[(3, 2, 1, 0), (9, 8, 7, 4), (18, 17, 12, 11), (19, 18, 17, 12), (25, 24, 21, 20)]\"\n\"[ 1.40688981 0.56318694 -0.62195769 0.5824367 -31.50976302\n 34.969136 -0.29403737 1.82299322]\",[-99.62380094],11564,72,Optimization terminated successfully.,True,272,0.2299253764704817,2xj7,85.49194721625213,,16,2,\"[(4, 3, 1, 0), (5, 4, 3, 1)]\"\n\"[ 0.0613748 -1.10857654 -1.62756831 44.81952074 20.11187141 50.99753406\n -1.83826831 2.86704427]\",[-81.83156205],13113,80,Optimization terminated successfully.,True,153,0.7357534489341482,1uto,61.8233526799134,,9,2,\"[(1, 0, 6, 7), (0, 6, 7, 8)]\"\n\"[ 1.27500055 -2.47735004 0.75996755 8.03130334 54.2021871 0.80606438\n 1.59931881 0.72281223 1.52393527 1.53458051]\",-225.71946156832905,14331,93,Optimization terminated successfully.,True,463,2.070777334586476,4e5w,214.52904610134948,,28,4,\"[(7, 6, 1, 4), (0, 8, 2, 9), (11, 10, 2, 8), (17, 16, 13, 12)]\"\n\"[-4.36644408e-03 1.23735443e-01 -5.83289130e-01 -2.62543499e+01\n -7.93249034e+00 -1.42421570e+00 2.67817306e+00 -2.00388956e+00\n -8.06634604e-01 4.43981763e-01 9.78118680e-01 3.56281358e-01\n -5.94891322e-01 3.11343491e+00 -4.95361868e-01]\",-60.750661967627366,75486,500,Maximum number of iterations has been exceeded.,False,423,3.7211758426391772,4ea2,46.92482122239994,,24,9,\"[(17, 3, 5, 9), (18, 4, 6, 15), (3, 5, 9, 18), (4, 6, 15, 7), (15, 7, 8, 16), (8, 7, 15, 6), (23, 16, 8, 7), (5, 9, 18, 2), (21, 23, 16, 8)]\"\n\"[ 1.18858484 2.183656 1.15566857 94.69505993 93.28307261\n -41.27142345 -1.39936493 -2.47002839 -1.1852056 -2.74178225\n 1.97325893 1.26314509 -1.27077767]\",[-75.53175044],42578,267,Optimization terminated successfully.,True,456,2.2678890088750077,5a7b,38.46179005854023,,31,7,\"[(15, 1, 14, 13), (17, 15, 1, 14), (4, 7, 3, 10), (3, 7, 4, 9), (18, 20, 8, 21), (20, 8, 21, 22), (20, 8, 23, 24)]\"\n\"[ 0.59890378 1.78130826 -2.00603251 35.98703817 43.03859135 -5.79615939\n 0.58271343 -2.31316697 0.34397423 1.78630411 3.08097198 -2.86950428\n -1.09402709]\",[-92.77930832],39356,245,Optimization terminated successfully.,True,297,1.8874898917308593,1z9g,66.76294054914545,,17,7,\"[(0, 1, 2, 3), (4, 3, 2, 1), (1, 2, 12, 10), (5, 4, 3, 2), (11, 10, 12, 2), (11, 10, 13, 14), (10, 13, 14, 15)]\"\n\"[ 1.28067662 -0.36061766 1.10728461 37.67041541 -10.15271589\n 34.70087763 1.519729 -1.27516521 0.59666231]\",-77.11165047574184,11532,73,Optimization terminated successfully.,True,455,3.3035670925125675,2vw5,58.165925200267395,,36,3,\"[(20, 21, 22, 23), (7, 31, 32, 33), (31, 32, 33, 34)]\"\n\"[ 2.05851744e+00 2.00785186e-02 9.57973157e-02 -3.80515898e+01\n -5.13540741e+01 -6.09012600e+00 -1.09778320e+00 -4.01404145e-01\n 2.76212544e+00 -1.39475679e+00 -4.14620300e-01 1.04321527e+00\n 5.46078820e-02 1.71282622e+00]\",[-225.19572633],79779,500,Maximum number of iterations has been exceeded.,False,525,2.459258657494182,2v7a,242.4107358575048,,35,8,\"[(14, 0, 24, 25), (3, 2, 4, 5), (6, 5, 4, 2), (8, 6, 5, 4), (9, 23, 16, 17), (28, 31, 24, 0), (26, 28, 31, 24), (24, 31, 34, 33)]\"\n\"[ -1.57043102 -3.06466896 -2.91062076 11.62666699 -10.17073652\n 21.26799189 -2.658756 0.77705945]\",-79.49883218336294,14933,96,Optimization terminated successfully.,True,275,1.2750896395744162,3ary,33.792438685896485,,17,2,\"[(1, 0, 14, 15), (10, 9, 7, 6)]\"\n\"[ 1.31174272 2.16197646 1.20224893 40.32008673 6.37308784 4.48659557\n 0.77686942 1.35645833 0.29601998 -0.94466161 3.11045867 1.1819466\n 0.81354318]\",[-90.61965245],38876,243,Optimization terminated successfully.,True,298,2.469100380613548,1vso,63.56576826321778,,21,7,\"[(12, 1, 3, 0), (11, 12, 1, 3), (0, 3, 4, 2), (11, 7, 10, 17), (8, 11, 7, 10), (6, 13, 9, 14), (7, 10, 17, 18)]\"\n\"[-1.86936158e+00 1.60661762e+00 1.89101611e+00 -3.67635566e+01\n -5.11390298e+00 9.78524777e+00 -1.62221206e+00 -1.07710215e+00\n -2.93478329e+00 4.41030899e-01 -2.05503045e+00 -6.40766417e-03\n 1.84362771e+00]\",[-213.98007462],21124,124,Optimization terminated successfully.,True,419,0.9429262085428038,4f3c,206.6786912376612,,23,7,\"[(5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (21, 16, 14, 13), (2, 21, 16, 14)]\"\n\"[-2.13317304e+00 1.92512995e+00 -2.00373404e+00 2.65798545e+01\n 6.79462769e+00 1.03943273e+01 -1.11672407e+00 -4.00882954e-01\n 1.28288782e+00 -2.59168573e+00 -1.06297481e-02 -1.91281540e+00\n -1.81858313e+00 2.59793839e+00 -2.66786539e+00 1.72858500e-01\n 1.28190206e+00 -2.54947410e+00 -1.94184017e+00 -5.12175883e-01\n -9.72549617e-01 1.37485589e+00 -2.10028602e+00 1.80339900e-01\n 1.85590448e+00 4.51702867e-01 9.41374063e-01 8.29993164e-01\n -8.15473501e-01 -4.93467903e-01 -6.74653077e-01 1.39403466e+00\n -1.93000070e+00 -2.41267885e+00 -8.07710540e-02 -1.11911557e+00\n -2.12885964e+00 4.89688362e-01 3.49737745e-02 1.03334529e+00\n 7.29816983e-01 2.79105880e+00 -2.65034734e+00]\",[-81.33268898],90440,500,Maximum number of iterations has been exceeded.,False,776,5.280665720968823,3ag9,183.89232489590933,,67,37,\"[(13, 18, 9, 3), (13, 17, 14, 10), (10, 14, 26, 25), (20, 19, 21, 22), (20, 19, 27, 28), (19, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 14), (19, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 43, 42), (28, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (37, 36, 38, 39), (37, 36, 44, 45), (36, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 29), (36, 44, 45, 46), (44, 45, 46, 47), (44, 45, 53, 54), (45, 46, 47, 48), (46, 47, 48, 49), (47, 48, 49, 50), (45, 53, 55, 56), (53, 55, 56, 57), (55, 56, 57, 58), (55, 56, 64, 65), (56, 57, 58, 59), (57, 58, 59, 60), (58, 59, 60, 61)]\"\n\"[ 2.52925711 -0.75882618 -0.16482651 55.86147987 73.72585938 21.08992885\n -1.82422682 -2.43437895 -0.74852859]\",[-199.6950748],10229,62,Optimization terminated successfully.,True,378,0.379449209435664,1y6r,180.90128598055497,,20,3,\"[(3, 2, 1, 0), (4, 3, 2, 1), (11, 10, 9, 4)]\"\n\"[-2.20167 0.90277953 -2.77398689 3.20220006 -7.4113171 6.89765628\n -1.90453285 -0.92921988]\",-56.04675840171012,13261,85,Optimization terminated successfully.,True,231,1.0700165028509923,3lka,46.04659472992218,,12,2,\"[(4, 6, 2, 10), (0, 9, 3, 1)]\"\n\"[-2.13814122 -2.59642555 0.76079214 30.74793392 65.89142232 8.47713221\n -2.18263348]\",[-133.48247772],8110,46,Optimization terminated successfully.,True,292,1.1026684632909076,1ps3,118.2701782430091,,16,1,\"[(0, 13, 14, 15)]\"\n\"[ 2.85909875 2.86512311 -1.07710825 59.53859972 8.84312502 5.54247637\n -2.65725669 0.2741164 -1.06268857 -1.25525516]\",[-185.37407764],23798,149,Optimization terminated successfully.,True,428,2.1097449717904477,4hge,82.63890794908136,,25,4,\"[(3, 2, 5, 21), (8, 19, 4, 10), (8, 21, 5, 2), (7, 8, 21, 5)]\"\n\"[ -0.84025632 0.30101912 0.68202938 48.06842671 19.71914175\n -13.48356969 0.49845554 1.07001021 0.67192312 -0.20999458\n -0.98926302 -1.45090279 -0.76447011 -0.7132151 2.16719719\n -2.02014739 -2.64811969 -1.2325506 0.71167707 -1.0637966\n 2.03366256 -0.53573979]\",-102.11361140015391,77637,500,Maximum number of iterations has been exceeded.,False,515,5.257404079987597,4tmn,116.1273075927425,,36,16,\"[(1, 0, 2, 3), (1, 0, 10, 11), (4, 3, 2, 0), (5, 4, 3, 2), (0, 10, 11, 12), (10, 11, 12, 13), (16, 15, 11, 10), (11, 12, 22, 23), (17, 16, 15, 11), (12, 22, 23, 26), (22, 23, 26, 27), (22, 23, 24, 25), (23, 24, 30, 31), (23, 26, 27, 28), (24, 30, 31, 34), (30, 31, 32, 33)]\"\n\"[ 0.23682522 0.63068296 0.82760802 25.73278293 10.85359146 15.508215\n 1.13184665 1.86708983 -2.37041481 -0.6206807 ]\",[-90.20081778],21671,139,Optimization terminated successfully.,True,346,1.5822367589792656,4djv,81.96154822976699,,28,4,\"[(9, 8, 2, 1), (15, 14, 2, 1), (21, 22, 18, 17), (20, 25, 26, 27)]\"\n\"[ 2.24339178 -0.26869475 -1.46844471 0.30435624 1.69580799 9.54039007\n -0.79932324 2.42645149 -0.59935879]\",[-54.60527196],31872,203,Optimization terminated successfully.,True,242,1.1669604882555944,2v00,44.07256489748731,,16,3,\"[(3, 4, 12, 14), (13, 14, 12, 4), (6, 13, 14, 12)]\"\n\"[ -3.1203396 2.19259221 1.02311064 102.74039289 22.20667462\n 35.47817212 -2.94266978]\",[-97.00295497],10496,63,Optimization terminated successfully.,True,298,0.06235312927181662,4mme,93.56852255943173,,20,1,\"[(3, 6, 7, 8)]\"\n\"[ -1.5913309 -0.2859308 -0.64686653 -30.06756514 88.24528545\n -11.12749057 -0.15495428 2.80595227]\",[-88.5878294],10653,65,Optimization terminated successfully.,True,226,0.10616299195535674,3kgp,54.88484800947943,,11,2,\"[(4, 2, 0, 1), (5, 6, 9, 3)]\"\n\"[-1.26098728e+00 2.29880017e+00 1.90766431e+00 -7.15720735e+01\n -4.77063924e+01 -7.51664435e+01 8.01479675e-03 -6.01650130e-01\n 1.88979766e+00]\",-51.36112045627535,29739,192,Optimization terminated successfully.,True,281,3.5755097343056,2wnc,37.32171273326727,,21,3,\"[(4, 0, 3, 1), (13, 5, 3, 0), (10, 13, 5, 3)]\"\n\"[ 0.38562134 1.08354061 3.05835188 34.55992948 21.73732052 27.94210504\n 2.84738739 1.94041002 1.06630864 2.45319463]\",[-146.84650921],18979,119,Optimization terminated successfully.,True,356,1.072286307880462,3g2n,128.7874833266863,,20,4,\"[(0, 5, 6, 7), (9, 8, 6, 5), (10, 9, 8, 6), (10, 11, 12, 13)]\"\n\"[-1.71157641 0.69843155 -1.62688478 -8.4486323 4.84662822 25.04600556\n -1.37538053 2.84262172 -0.97662908]\",[-63.70012385],14297,88,Optimization terminated successfully.,True,365,1.0413411094496932,2qe4,59.1831557379046,,24,3,\"[(1, 2, 20, 21), (14, 13, 5, 4), (2, 20, 21, 22)]\"\n\"[-1.94560254 0.45912685 -2.43267238 70.67388442 80.65894445 28.06888916\n -0.30302111]\",[-47.06757049],7146,40,Optimization terminated successfully.,True,187,0.16543506241898148,3twp,36.86537286152133,,10,1,\"[(4, 3, 0, 1)]\"\n\"[-0.8473933 -1.30423131 -2.44880372 -1.82027215 2.01197653 23.54897822\n -1.63093455 2.20205113 2.47016207 2.80677164 -2.31798518 -3.01101254\n 1.15203149 2.69191217 2.90206367 -2.3048069 -1.76306559 -1.13612212\n -1.73023807 -1.20318 ]\",[-74.50879828],81273,500,Maximum number of iterations has been exceeded.,False,315,1.0014351357769866,3uew,54.739583243879196,,18,14,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17)]\"\n\"[-1.08355656e-01 2.26063103e-02 -3.05623745e+00 5.09183283e+01\n 2.02109027e+01 1.18212258e+01]\",-121.4550921133983,10197,66,Optimization terminated successfully.,True,206,2.7303952295046567e-05,4cr9,98.14719464548106,,13,0,[]\n\"[-2.53581485e+00 -1.32374435e+00 -1.24900354e+00 3.08009736e+01\n -6.67618426e+00 2.91738648e+01 1.47792433e+00 -1.09630454e+00\n -9.14670599e-03 -1.37881064e+00]\",[-90.59556095],14369,89,Optimization terminated successfully.,True,366,1.0431802645354713,3qqs,85.01484698783753,,19,4,\"[(8, 15, 12, 16), (9, 16, 12, 15), (10, 17, 13, 0), (11, 18, 14, 1)]\"\n\"[-0.90683353 2.74302364 -2.70734087 16.90058122 40.99035654 5.08491711\n 2.36585559 2.25377445 -0.11049565 -2.05022565 0.67694512 0.81042819\n -1.85824818 -2.96752054]\",[-160.34604191],78864,500,Maximum number of iterations has been exceeded.,False,441,2.2033645994289404,2fxs,142.77784006225994,,28,8,\"[(0, 1, 2, 3), (5, 4, 2, 1), (4, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (18, 17, 15, 14), (19, 18, 17, 15), (20, 22, 23, 24)]\"\n\"[-1.97283255 -0.10683143 -1.02665994 45.90011442 14.65932065 3.32953084\n 1.39208124 2.04445243 1.23730918 0.49091437]\",[-144.22322688],7713,48,Optimization terminated successfully.,True,277,1.3872817287089818,2hb1,108.47848924066369,,14,4,\"[(2, 3, 5, 6), (1, 4, 7, 8), (4, 7, 8, 9), (7, 8, 9, 10)]\"\n\"[-0.71087191 -3.10498952 1.01894129 -1.17260231 -5.16857977 28.34418\n 0.650999 1.52707478 3.08783474 0.22466882 -0.25379839 -1.54976262\n 0.85477584 0.46568083 0.41303558 -1.69926014 -0.38708425 1.77220407\n -1.25951022 1.6098275 -0.93431103 1.40005082 -0.34744655]\",[-102.37863267],82941,500,Maximum number of iterations has been exceeded.,False,675,4.083766905902838,2vkm,254.91632976160537,,47,17,\"[(0, 5, 6, 7), (5, 6, 8, 9), (6, 8, 9, 10), (12, 11, 9, 8), (12, 13, 17, 18), (14, 15, 23, 24), (13, 17, 19, 20), (15, 23, 25, 26), (23, 25, 26, 27), (28, 27, 26, 25), (25, 26, 34, 35), (29, 28, 27, 26), (26, 34, 36, 37), (34, 36, 37, 38), (39, 38, 37, 36), (40, 39, 38, 37), (40, 41, 45, 46)]\"\n\"[ 0.7729322 1.93788496 1.44649448 37.60204917 10.27135195 16.39778393\n 1.85111773 -2.10368385 -0.72359964 -0.72585502 -1.26927499 1.56721255]\",[-127.19977506],43641,269,Optimization terminated successfully.,True,405,2.051239992899162,1o0h,81.71909791810475,,27,6,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 8, 9), (10, 9, 8, 4), (11, 10, 9, 8), (18, 17, 16, 11)]\"\n\"[-1.39232964 -0.27259491 -2.50971944 -4.04350866 59.49265153 63.19406088\n 2.4960326 -1.44414889 -0.94555297 2.23346316 2.73073398 1.69190256\n -0.64377656 0.12622185 0.72015795 1.28427199 2.48415347 0.12695575\n -1.12043688 -0.95512565 -0.08585718]\",[-67.79867465],85312,500,Maximum number of iterations has been exceeded.,False,590,4.336789984357405,1h23,65.35834669981658,,36,15,\"[(3, 10, 6, 7), (10, 6, 7, 12), (6, 7, 12, 27), (7, 12, 27, 28), (23, 22, 25, 26), (22, 25, 26, 35), (25, 26, 35, 34), (12, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (33, 34, 35, 26)]\"\n\"[-0.97946696 1.62066299 -1.82341145 23.69285157 11.60276103 -2.44050016\n 2.25704014 -2.17167026 0.6306458 -0.44337587 2.21061866 0.53766637\n -2.41769012 2.3126988 ]\",[-140.35489306],65639,415,Optimization terminated successfully.,True,446,2.5044131920525796,3coy,100.18053501067007,,31,8,\"[(8, 0, 2, 6), (2, 0, 8, 17), (0, 2, 6, 13), (0, 8, 17, 18), (8, 17, 20, 21), (22, 21, 20, 17), (23, 22, 21, 20), (3, 28, 26, 25)]\"\n\"[-0.49994156 -2.04822482 0.55397077 0.20800366 32.79730679 5.55137784\n -2.04666449 1.01022187 -2.62866467 -0.70365899 3.1107054 -0.27591915]\",[-231.17554306],79144,500,Maximum number of iterations has been exceeded.,False,498,1.518611181172559,3uo4,211.09337682270314,,29,6,\"[(1, 6, 2, 8), (9, 8, 2, 6), (0, 5, 3, 15), (16, 15, 3, 5), (22, 14, 13, 8), (17, 18, 21, 27)]\"\n\"[ 2.91963889 1.96332728 -1.20698893 -30.32019058 -0.07577851\n 25.35600175 2.62481614 1.60003914 0.6995815 -2.46214399]\",[-113.11237788],34659,225,Optimization terminated successfully.,True,361,2.3673955280004173,2xii,89.3350631762483,,28,4,\"[(0, 13, 14, 15), (13, 14, 16, 17), (18, 17, 16, 14), (19, 18, 17, 16)]\"\n\"[-2.61681287 -0.1497223 1.57588189 0.37241192 9.92260458 9.31505777\n 1.76915455 -1.51965762 0.70383549 -3.02745273 1.6311787 -3.02592797\n -0.77203033 -0.2275751 1.65642637 0.43152891 -0.20552734 -0.62047112\n 1.68144877 -0.19336981 -0.09407889 2.11761579 1.361975 2.5037532\n -3.05994925 0.51636761 -0.17289386 -2.12204967]\",-68.85783629353384,84777,500,Maximum number of iterations has been exceeded.,False,597,4.669067749229265,3prs,130.70732295996947,,50,22,\"[(0, 1, 5, 6), (1, 5, 6, 7), (5, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (15, 14, 10, 9), (10, 11, 12, 13), (11, 12, 13, 22), (23, 22, 13, 12), (12, 13, 29, 32), (16, 15, 14, 10), (24, 23, 22, 13), (13, 29, 32, 31), (37, 30, 31, 32), (31, 30, 37, 38), (30, 31, 32, 29), (30, 31, 34, 35), (30, 37, 38, 39), (41, 39, 38, 37), (42, 41, 39, 38), (43, 44, 46, 47)]\"\n\"[ 3.13638428 -2.6736514 0.97663365 -4.10167641 3.61081151 14.89227642\n 2.11746485 -0.96642306 -0.17197338]\",[-129.89026907],12874,77,Optimization terminated successfully.,True,199,0.9331100072363385,3dd0,104.86441536192166,,16,3,\"[(3, 4, 14, 5), (4, 14, 5, 15), (10, 9, 8, 0)]\"\n\"[ 0.56285455 1.37571964 3.05361475 22.12386591 46.30541636 54.42422229\n -0.22628565 0.67198734 -2.2730554 0.19842275 2.64837393 -0.65069165]\",-76.75296918760031,28041,177,Optimization terminated successfully.,True,370,1.6740169064381143,3k5v,65.38983374676646,,27,6,\"[(5, 4, 1, 0), (6, 5, 4, 1), (12, 11, 8, 7), (13, 12, 11, 8), (19, 18, 16, 15), (19, 20, 24, 25)]\"\n\"[ 2.77893694 -0.7088962 -1.89880226 32.56233971 0.20127037 12.93696896\n 0.21670831]\",[-61.73450272],9314,56,Optimization terminated successfully.,True,169,1.1391053054547207,4jsz,42.45551460902322,,10,1,\"[(2, 3, 6, 7)]\"\n\"[-1.84949374 2.43318611 2.0171656 9.34591129 8.58195528 4.57798349\n -0.39889234 1.96526352]\",[-158.24039539],25042,157,Optimization terminated successfully.,True,315,2.090737138919323,1ydr,158.36373637902378,,20,2,\"[(13, 10, 0, 9), (19, 13, 10, 0)]\"\n\"[ 1.04220334e+00 1.40480601e+00 7.77022837e-01 1.47786897e+01\n 7.19720482e+00 7.06075713e-04 -1.54579366e+00 -2.03661774e+00]\",[-168.74604492],20962,133,Optimization terminated successfully.,True,304,1.3976200399327838,4k77,162.22740585533143,,18,2,\"[(12, 11, 7, 6), (13, 12, 11, 7)]\"\n\"[-4.07360048e-01 2.26058759e+00 2.37466163e-01 7.15394402e-01\n 3.03360244e+01 1.13593281e+01 -1.31703258e+00 2.54589665e+00\n 3.11427979e+00 -7.46453429e-01 -8.79946979e-01 -7.44276923e-04]\",[-154.02514841],38675,241,Optimization terminated successfully.,True,443,1.6986496601320904,2fvd,148.39438993208904,,30,6,\"[(1, 0, 26, 27), (7, 6, 3, 2), (8, 7, 6, 3), (9, 10, 13, 14), (16, 15, 13, 10), (15, 20, 21, 22)]\"\n" }, { "path": "Validation_Docking/DockingResults_TestSet.csv", "content": "x,fun,nfev,nit,message,success,num_MixOfGauss,rmsd,pdb_id,score_real_mol,pkx,num_atoms,num_rotbonds,rotbonds\n\"[ 0.40687417 -3.11190338 2.66973141 -14.73409243 42.14871222\n -1.88468116 0.50687804 1.09921871 -1.09021558 -0.66186922\n 3.08624883 0.14101592 -1.10904869 -2.52624615 -3.11197537\n -0.52650182 1.08401012 -0.18798281 0.95092219 0.55266784]\",[-61.60544253],81378,500,Maximum number of iterations has been exceeded.,False,428,2.8921801540766716,3zsq,85.05890492638423,4.960000038146973,39,14,\"[(2, 10, 20, 31), (14, 11, 21, 33), (5, 12, 30, 29), (3, 13, 25, 32), (4, 14, 26, 32), (8, 17, 38, 24), (18, 19, 27, 32), (10, 20, 31, 30), (13, 25, 32, 26), (14, 26, 32, 25), (19, 27, 32, 25), (23, 28, 29, 30), (12, 30, 29, 28), (12, 30, 31, 20)]\"\n\"[-2.08600385 0.36174218 -0.82997635 13.20043794 10.90414992 12.51982003\n 2.68303673 2.72243855]\",-204.15944659985314,8093,51,Optimization terminated successfully.,True,273,2.222656992950675,6g34,192.09711865767775,8.239999771118164,20,2,\"[(3, 2, 1, 0), (6, 5, 4, 3)]\"\n\"[ 1.17283736 1.7119386 2.24642434 20.62216592 -2.01865577 3.53193118\n -1.63164356 2.8116328 0.97883126 -2.43792837 -2.38046409 1.78999797\n 3.01333392]\",[-104.11306138],21802,134,Optimization terminated successfully.,True,469,1.6672088244083934,5w99,97.6929527692555,4.679999828338623,34,7,\"[(18, 1, 0, 15), (27, 26, 2, 18), (5, 4, 6, 24), (10, 9, 8, 7), (15, 14, 11, 10), (22, 21, 20, 1), (27, 28, 31, 32)]\"\n\"[ 6.67767705e-01 -1.66139271e+00 -6.03551913e-01 4.82296185e+01\n 1.44928463e+01 2.89280797e+01 3.03888044e-02]\",[-4.35016406],33354,212,Optimization terminated successfully.,True,117,0.5699761499140273,2q7q,1.2625412926987543,5.300000190734863,9,1,\"[(3, 2, 1, 0)]\"\n\"[-1.16672806e+00 6.91757732e-04 -2.68833168e-01 -3.99793696e+00\n -3.60508092e+01 7.88711867e+01 1.73903841e+00 1.27902335e+00\n 4.31290542e-01 -3.12679830e+00 7.08206020e-01 2.49549234e+00\n -3.11643377e+00]\",[-100.44115467],33998,212,Optimization terminated successfully.,True,315,2.894430716964575,2pbw,95.07116520703579,8.25,22,7,\"[(0, 1, 3, 4), (1, 3, 5, 6), (5, 6, 7, 8), (11, 10, 8, 7), (12, 13, 14, 15), (10, 17, 18, 19), (17, 18, 19, 20)]\"\n\"[-1.39938802 -0.35142683 -1.77782447 16.33594034 2.80337437 15.36638318\n -1.86539393]\",[-87.93947463],10084,61,Optimization terminated successfully.,True,166,0.026262842570691825,5txy,74.67402251145501,5.460000038146973,13,1,\"[(7, 6, 3, 2)]\"\n\"[-0.36748193 1.6132099 -1.58398122 19.77536165 42.329983 39.2109175\n -0.3392885 -1.01980734 1.04588567 -0.75494065 3.041017 1.13365803\n -0.18959485 0.40333127 2.22953486 0.48658446]\",[-146.99100551],51195,311,Optimization terminated successfully.,True,464,2.094848508803802,4p4f,130.48155394002413,6.769999980926514,27,10,\"[(21, 0, 1, 2), (1, 0, 21, 20), (0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 24), (4, 5, 24, 25), (14, 13, 12, 7), (15, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 0)]\"\n\"[ 0.34678805 1.98139772 -0.22269325 27.97789193 -13.55086009\n -1.73635669 -0.59643336 2.33888286 -2.11506726 -0.42389938\n -0.23245248 -0.08206976 2.22440848 -0.1518301 -1.00049877\n 0.84926828 1.18829939 2.02529263]\",[-147.78064418],82720,500,Maximum number of iterations has been exceeded.,False,405,3.9490782796657813,2r5q,213.80265063818234,8.569999694824219,40,12,\"[(7, 6, 17, 18), (6, 7, 10, 11), (7, 10, 11, 12), (10, 11, 12, 13), (6, 17, 18, 19), (17, 18, 19, 21), (18, 19, 21, 23), (18, 19, 22, 33), (19, 21, 23, 24), (34, 33, 22, 19), (26, 25, 23, 21), (35, 34, 33, 22)]\"\n\"[-2.38522855 2.51845644 1.25865153 45.0439101 14.09309374 2.10649912\n -2.62990673 -0.1379018 0.45178992 -2.36075703]\",[-166.96683926],8870,53,Optimization terminated successfully.,True,335,0.8382615562315121,1c88,150.93540563607746,5.289999961853027,18,4,\"[(8, 7, 12, 13), (3, 8, 9, 11), (7, 12, 13, 17), (12, 13, 14, 16)]\"\n\"[ 2.38660062 -2.72086897 -2.90200583 0.17230246 40.90414272 12.36875841\n 0.24442993 2.63508399 -1.45938312 1.89866932 2.78926766 -2.4254019\n 2.79188604 -2.86509824 0.12851803 -0.79629543]\",-118.63004516396872,80517,500,Maximum number of iterations has been exceeded.,False,547,1.9788807872345673,2oh4,151.9822441931129,8.460000038146973,36,10,\"[(1, 0, 29, 30), (1, 2, 5, 6), (2, 5, 6, 25), (24, 25, 6, 5), (11, 12, 13, 14), (16, 15, 13, 12), (17, 16, 15, 13), (23, 22, 21, 10), (8, 23, 22, 21), (7, 24, 25, 6)]\"\n\"[ -2.76830306 2.34885126 2.12932142 15.45480377 -36.60591769\n -23.96109254 -2.00282781]\",-130.26060168172737,10794,68,Optimization terminated successfully.,True,318,0.23948703948588806,3l5r,90.07628727693417,7.420000076293945,20,1,\"[(11, 10, 8, 7)]\"\n\"[-1.05551991 -1.78361165 0.1086457 13.68162369 66.25577147 38.52026241\n 1.6006135 0.15184911 -1.74657201 -1.85812105 -1.53145785 -1.07653043\n 0.32477939 -0.53380229 0.2587174 -1.81172416 -0.45622115 -0.13416708\n 1.94432749 1.90962196 -0.7463476 ]\",-78.08280461092744,84630,500,Maximum number of iterations has been exceeded.,False,412,4.64135098435245,3o9p,66.03773036048342,6.519999980926514,27,15,\"[(0, 3, 6, 2), (9, 4, 6, 2), (6, 4, 9, 12), (20, 7, 18, 11), (18, 7, 20, 21), (4, 9, 12, 5), (4, 9, 14, 16), (9, 14, 16, 18), (14, 16, 18, 7), (7, 20, 21, 13), (7, 20, 22, 23), (20, 22, 23, 24), (22, 23, 24, 26), (23, 24, 26, 10), (17, 25, 26, 10)]\"\n\"[ 1.4147928 0.68635888 0.77574279 -14.14478225 64.73252502\n 43.70634716 1.14018782 -0.73423215 -0.29566908 1.03657063\n 1.50162913 -0.43051866 -0.92132925 -2.35120359 0.46181111\n 2.49806095 -1.84244365]\",[-124.95841669],78093,500,Maximum number of iterations has been exceeded.,False,811,5.105915839455711,1fq5,114.17711537678647,8.399999618530273,62,11,\"[(7, 8, 10, 11), (8, 10, 11, 23), (10, 11, 23, 24), (13, 12, 11, 10), (22, 13, 12, 11), (26, 25, 23, 11), (27, 26, 25, 23), (33, 34, 35, 36), (34, 35, 36, 38), (46, 45, 48, 49), (45, 48, 49, 51)]\"\n\"[-3.83661557e-01 1.87546491e+00 6.83012934e-01 2.67265058e+01\n 5.47081908e+01 3.45127547e+01 1.22604122e+00 8.19379393e-01\n 6.48799420e-01 3.47218171e-01 9.80997886e-01 6.08989500e-01\n -5.38373450e-02 6.17398597e-01 -2.06358092e+00 -8.74509986e-01\n -1.08475978e+00 -1.09700013e+00 8.78143180e-01 -2.39917176e+00\n -6.55626886e-01 9.80897678e-02 1.24125440e+00 -1.27625073e+00\n -3.84289085e-01 -2.33794629e+00 1.68543374e+00 1.54278129e+00\n -2.80372277e+00 3.69881393e-03 2.74959108e+00 5.26229451e-01\n 1.75521750e+00 8.08741773e-01 -1.48325375e+00 -3.96226741e-01\n -1.18526181e-01]\",[-57.59216182],94851,500,Maximum number of iterations has been exceeded.,False,803,7.361172500668965,6g86,56.903032997176396,4.489999771118164,69,31,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 11, 12), (6, 5, 4, 1), (2, 11, 12, 13), (11, 12, 13, 14), (12, 13, 16, 17), (13, 16, 17, 18), (16, 17, 18, 19), (17, 18, 21, 22), (18, 21, 22, 23), (21, 22, 23, 24), (27, 26, 23, 22), (26, 27, 28, 29), (27, 28, 33, 34), (28, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 41, 42), (34, 37, 38, 39), (35, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 49, 50), (42, 45, 46, 47), (43, 49, 50, 51), (49, 50, 51, 52), (55, 54, 51, 50), (54, 55, 56, 57), (62, 61, 56, 55), (61, 62, 63, 64)]\"\n\"[-1.73433602 -1.44328372 0.72799902 11.06600821 45.2298451 55.33177328\n -2.15569851 2.56665365 -2.35180924 2.58766061 2.26230801 2.1728002 ]\",[-227.93918977],34203,209,Optimization terminated successfully.,True,368,1.834553485739973,1oiu,250.90192354506905,6.679999828338623,28,6,\"[(13, 11, 0, 15), (4, 3, 2, 17), (16, 17, 2, 3), (9, 10, 25, 14), (12, 13, 11, 0), (15, 16, 17, 2)]\"\n\"[ 2.1972532 -2.82232882 2.31141236 3.52330139 13.60155882 8.8216696\n 2.19614311 1.37314373]\",-55.081814917201214,8245,52,Optimization terminated successfully.,True,159,1.2675448557800881,2vmd,51.780518835194016,3.0199999809265137,13,2,\"[(1, 0, 7, 6), (3, 4, 5, 12)]\"\n\"[ -2.13557699 -0.74958414 -0.70534333 34.68572533 17.90492576\n -15.86205322 -1.73803433]\",[-119.37510456],6996,41,Optimization terminated successfully.,True,252,1.1635801917733695,3sur,117.76425922161874,4.150000095367432,14,1,\"[(3, 4, 5, 13)]\"\n\"[-3.11958648 1.24358403 -0.13505326 17.32540354 5.81251259 -8.46184685\n 0.59005551 1.19702058 1.10883328 -2.24585211 -1.00909576 1.09474288\n -1.84224276]\",[-112.92291842],57010,357,Optimization terminated successfully.,True,554,2.3119013218708395,4n9e,112.61548754772856,7.820000171661377,33,7,\"[(2, 3, 6, 7), (9, 8, 6, 3), (15, 14, 11, 10), (16, 15, 14, 11), (21, 22, 24, 25), (27, 26, 24, 22), (28, 27, 26, 24)]\"\n\"[-0.18679445 -0.30569002 -1.44307626 52.47356012 22.56491414 29.52841351\n 0.9908649 -2.68522307 -1.84135743 -0.9942395 2.59794194 1.82641439\n 0.74340909 0.53399493 1.73844577]\",[-245.64532415],66216,435,Optimization terminated successfully.,True,491,0.9270987446178408,5g2n,227.63491563852037,7.03000020980835,35,9,\"[(0, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (10, 9, 8, 7), (11, 10, 9, 8), (10, 11, 14, 15), (13, 24, 25, 26), (24, 25, 26, 27), (29, 28, 26, 25)]\"\n\"[ 0.62240233 1.33344776 0.87062662 10.55783501 25.33510263 -0.62413374\n 1.36237726 -0.17006188 -1.45503017 -1.30255107 -0.78054244 -0.90302907\n -2.32771492 2.91310773 -1.80326149 2.65253976 -0.31508416 -1.65595869\n 2.83169946 1.34160357 -1.96925266 -1.38275645 2.02093058 -1.77908133\n 0.80919695 0.90436882]\",[-86.46501269],79560,500,Maximum number of iterations has been exceeded.,False,614,3.602093803357334,5d3c,149.97578606425424,10.399999618530273,46,20,\"[(2, 36, 4, 1), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (9, 10, 14, 15), (10, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (15, 17, 23, 24), (17, 18, 19, 20), (18, 19, 20, 21), (17, 23, 24, 25), (23, 24, 26, 27), (24, 26, 27, 28), (33, 32, 26, 24), (26, 27, 28, 29), (27, 28, 29, 30), (2, 33, 32, 26), (40, 39, 38, 0)]\"\n\"[ 1.26513895 1.53488286 -1.18858079 26.10579906 -10.71446029\n 27.08914698 1.09584728 -0.60417257]\",[-42.19232224],17208,107,Optimization terminated successfully.,True,242,0.8883372549699673,3ijz,30.495779900745582,5.21999979019165,21,2,\"[(13, 12, 8, 6), (14, 15, 18, 19)]\"\n\"[ 0.68154647 0.01431266 -2.83825402 1.5476809 0.08778911 14.05510324\n 0.1306301 0.36220828 -0.26210729 1.86930168 0.24403326 1.36719829\n 2.30793643]\",[-266.08993416],14640,88,Optimization terminated successfully.,True,351,0.8596391228376874,4i0r,253.61701914276455,7.849999904632568,27,7,\"[(2, 3, 0, 10), (6, 7, 21, 22), (10, 11, 15, 16), (11, 12, 17, 18), (12, 13, 19, 20), (7, 21, 22, 24), (21, 22, 24, 25)]\"\n\"[ 5.14525198e-01 5.66312423e-01 3.68386255e-02 2.12418387e+01\n 5.63528112e+01 8.91551543e+00 -1.29389961e+00 2.78206262e-01\n 1.98082993e+00 1.11486145e+00 -9.56858606e-01 8.08424220e-02\n -1.08341157e+00 -2.92919824e+00 2.69584854e+00]\",[-97.76214808],75982,500,Maximum number of iterations has been exceeded.,False,508,3.7448546796509428,3ia6,78.46911458589983,8.520000457763672,31,9,\"[(4, 3, 1, 0), (5, 4, 3, 1), (10, 9, 3, 1), (11, 10, 9, 3), (12, 13, 16, 17), (13, 16, 17, 18), (19, 18, 17, 16), (20, 19, 18, 17), (26, 25, 21, 20)]\"\n\"[ 1.3193348 1.9200142 -0.06264762 7.73870627 3.02041084 0.88373075\n 0.83721282 -1.35566016 2.383433 -1.34001603 -1.5780075 0.83818117\n 2.96136671 -0.17785178 -3.11451125 -1.33759897 0.39231636 1.68693327\n 1.4728373 -0.47257202 -2.86269815 -1.73107174 -1.30167037 2.69696423\n 0.24714827 -0.83668007 0.81006683 -0.19734107 -0.16933079 -2.70500116\n 0.81316938 -1.49825823 0.31709489 2.56352615 -1.78353669 0.38521409\n 0.19904016 -2.28407019 -2.30067285 -2.97439819 1.3846666 3.09353102\n 2.74081924 -2.36358289 1.23644803 0.51905062 -2.33650626 -0.07411763\n 0.05012342 -2.00991422 1.67721479 -0.78050357 3.08713928 1.56601982\n 0.3899258 0.40617931 3.03279941 -1.06054865 0.63110854 -1.30922559\n 0.28782917 0.70505803 2.67922571 -2.59391402 2.54031289 1.98911858\n -1.41070245 -0.70835474 -1.52402845 -0.77114325 -0.88225407 -2.64144364\n -0.30899579 -0.84480544 1.72721395 1.82985793 0.26819749 -0.81930019]\",[-142.93738216],82422,500,Maximum number of iterations has been exceeded.,False,1594,9.253210187164917,2rnw,63.74405587390444,2.9800000190734863,112,72,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 32, 33), (24, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (25, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 41, 42), (33, 36, 37, 38), (36, 37, 38, 39), (34, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 73, 72), (54, 57, 58, 59), (57, 58, 59, 60), (58, 59, 60, 61), (64, 65, 67, 68), (65, 67, 68, 69), (67, 68, 69, 70), (68, 69, 70, 71), (69, 70, 71, 72), (70, 71, 72, 73), (71, 72, 73, 55), (71, 72, 74, 75), (72, 74, 76, 77), (74, 76, 77, 78), (76, 77, 78, 79), (76, 77, 80, 81), (77, 78, 82, 83), (78, 82, 83, 84), (82, 83, 84, 85), (82, 83, 86, 87), (83, 84, 89, 90), (84, 89, 90, 91), (89, 90, 91, 92), (90, 91, 93, 94), (91, 93, 94, 95), (93, 94, 95, 96), (94, 95, 97, 98), (95, 97, 98, 99), (97, 98, 99, 100), (97, 98, 101, 102), (98, 99, 106, 107), (98, 101, 102, 103), (101, 102, 103, 104), (102, 103, 104, 105), (99, 106, 107, 108), (106, 107, 108, 109)]\"\n\"[ 0.69644936 1.87448721 -2.50375542 86.74565761 33.95870822 41.10424771\n -2.77962835 1.44100104 0.61863097 -2.83210228 -1.23144605 0.09295309]\",[-125.84339554],33774,210,Optimization terminated successfully.,True,334,1.1080907850387534,3w54,98.46929018824142,9.699999809265137,22,6,\"[(1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (10, 9, 8, 6), (11, 10, 9, 8), (11, 13, 14, 15)]\"\n\"[ 1.70823266 -1.2884463 0.5350856 14.40463466 20.96597214 47.89265272\n 0.41488298 1.41724051 3.04777582 -1.60365686 -2.27107291 -1.73063911\n 0.29615966]\",[-110.8573264],43374,266,Optimization terminated successfully.,True,423,1.2245032546352939,1q4x,91.29889090740184,9.479999542236328,28,7,\"[(7, 6, 5, 0), (8, 7, 6, 5), (15, 14, 13, 8), (16, 15, 14, 13), (18, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26)]\"\n\"[ 0.33656177 -0.84108514 -0.38654231 7.27363113 11.41581896 -2.39735673\n -2.75206273 -0.65690168 -2.08215502 1.70395393 2.83127115 2.02690535\n -2.09114979 -0.61146588 0.77632713]\",[-98.31769279],76926,500,Maximum number of iterations has been exceeded.,False,466,2.709033255184601,1sve,205.96072786920547,8.300000190734863,37,9,\"[(1, 2, 3, 4), (1, 9, 10, 11), (13, 12, 10, 9), (14, 17, 18, 19), (21, 20, 18, 17), (22, 21, 20, 18), (21, 27, 28, 29), (27, 28, 29, 30), (32, 31, 29, 28)]\"\n\"[-5.98675054e-01 -1.88377606e+00 -2.13218097e+00 -1.79314254e+00\n 1.25584352e+02 1.49048463e+02 6.73449469e-01 1.23493221e+00\n 1.06519114e+00 1.10860620e-01 -7.54151669e-02 1.10177095e-01\n 4.79343805e-01]\",[-44.41061807],78576,500,Maximum number of iterations has been exceeded.,False,437,4.3239744380839245,5y2f,21.54596144115659,5.150000095367432,34,7,\"[(1, 0, 16, 15), (2, 3, 21, 22), (3, 4, 6, 19), (9, 10, 15, 16), (0, 16, 15, 10), (25, 24, 21, 3), (26, 25, 24, 21)]\"\n\"[-2.44118789 -2.0389193 1.42590652 35.92467711 -5.57076227 6.4572264\n 2.66440928 -1.46709439 0.06456506 -1.06761964 0.69869105 1.65721389\n -0.25549541]\",[-101.01146253],38850,237,Optimization terminated successfully.,True,432,1.5530201021166217,3f0r,33.63298172147784,6.889999866485596,22,7,\"[(0, 3, 17, 1), (7, 8, 4, 20), (6, 5, 11, 2), (2, 11, 12, 13), (11, 12, 13, 14), (13, 14, 15, 16), (15, 16, 17, 1)]\"\n\"[ 2.34126854 2.66997297 0.33208265 27.98481919 -6.04844654 19.3026311\n -2.25497807 2.19625019]\",[-113.58082156],8703,53,Optimization terminated successfully.,True,307,0.5845632842075171,3ipx,104.56434022249586,6.920000076293945,17,2,\"[(10, 9, 3, 2), (10, 11, 15, 16)]\"\n\"[ 1.99546951 -2.00527319 1.49116418 19.00550125 -18.44395291\n -1.25893728 2.66085408 -1.25092846 1.45260349 -2.06066026\n -1.04899369 -0.69188479]\",[-146.37298862],20709,126,Optimization terminated successfully.,True,441,1.5196474745056487,4ly1,127.11550729181852,7.260000228881836,25,6,\"[(14, 0, 13, 3), (2, 1, 11, 9), (4, 5, 3, 12), (0, 13, 3, 5), (1, 11, 9, 8), (21, 20, 15, 14)]\"\n\"[ 0.97676159 -0.20536566 0.09240504 -34.64665318 -10.4838571\n 25.92154311 2.08673545 -0.86041539 -1.3508651 0.24695598\n 2.91395017 -1.33931007]\",[-216.29234566],30017,186,Optimization terminated successfully.,True,378,1.0505559471628643,5j86,199.7847825674358,8.260000228881836,31,6,\"[(1, 3, 9, 25), (14, 15, 4, 17), (4, 18, 6, 0), (3, 9, 25, 10), (27, 10, 25, 9), (13, 27, 10, 25)]\"\n\"[ 2.1496678 0.31198535 -0.21020104 26.13435297 14.62570122 -9.11804206\n -1.97224719 0.29735567 -0.13978435 2.51697126 -1.40597422 -1.49823117\n 2.08959495 2.27135531 -0.33489639 2.44517822 -1.73220517 1.81709235\n -2.94372 -0.83654843 1.45784331 -1.56295084 -0.46421807 1.71081176\n 0.16521873 1.25303754 -3.01702083 0.31805884 0.97263723 -1.55820226\n 0.87672718 2.47257841]\",[-107.38661289],84021,500,Maximum number of iterations has been exceeded.,False,1157,2.583359779599994,4os1,106.73884291502453,5.599999904632568,104,26,\"[(0, 1, 2, 3), (5, 4, 2, 1), (6, 5, 4, 2), (18, 19, 22, 23), (19, 22, 23, 24), (30, 31, 34, 35), (31, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (51, 52, 55, 56), (52, 55, 56, 57), (55, 56, 57, 58), (60, 61, 64, 65), (61, 64, 65, 66), (73, 72, 69, 68), (74, 73, 72, 69), (78, 79, 82, 83), (79, 82, 83, 84), (82, 83, 84, 85), (83, 84, 85, 86), (89, 90, 91, 92), (90, 91, 95, 96), (91, 95, 96, 97), (95, 96, 97, 98), (95, 96, 99, 100), (96, 99, 100, 101)]\"\n\"[ 1.78329256 -1.93962725 0.72106384 15.48977312 -11.50320185\n -19.81636175 0.45188499 -0.45992804 1.07438449]\",[-37.5704268],19127,118,Optimization terminated successfully.,True,167,1.5374221698871209,5ak6,18.896046400343074,3.490000009536743,11,3,\"[(1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10)]\"\n\"[ 0.70888115 1.11211354 -1.96442232 -1.57321679 -14.50358729\n -16.3200108 ]\",-52.14114578265254,11997,78,Optimization terminated successfully.,True,128,0.00014135145685806913,5mnc,38.888261201925175,1.309999942779541,7,0,[]\n[-2.60640235 0.29667271 -1.2605799 19.09643309 17.88756389 33.2121283 ],-80.67736602796505,5847,37,Optimization terminated successfully.,True,215,1.4063205785572133e-05,1fv9,65.2291374909754,5.0,11,0,[]\n\"[ 0.2577361 1.21635888 1.84392378 -2.67773366 -16.00777943\n -32.25416396 0.18170807 -1.46126777 2.23360897 -1.65382188\n -1.82188168 0.72254214 0.37544175 1.09628693 1.95099738\n -0.34313674 0.47767866 1.3714233 -0.28927067 2.23686032\n 2.00640705 2.10158942 -0.78928729 0.5044637 2.56904236\n -2.82290858 0.67226547 3.00173559 0.78986978 0.86938802\n 0.9630354 2.78076947]\",[-53.43180577],82536,500,Maximum number of iterations has been exceeded.,False,612,6.350494221595976,4tky,30.39163209370431,5.699999809265137,51,26,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (12, 11, 8, 7), (8, 9, 18, 19), (13, 12, 11, 8), (9, 18, 19, 20), (18, 19, 20, 21), (19, 20, 23, 24), (20, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 30, 31), (25, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 36, 37), (32, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 44, 45), (37, 40, 41, 42), (38, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49)]\"\n\"[ -0.23101524 -1.67989089 2.07602918 19.839807 -10.36205409\n 19.53100852 2.74389567 1.63782869 1.3422817 0.78699601\n 0.41633757 -1.91957382 1.58751806 0.11643532]\",[-76.05870351],77949,500,Maximum number of iterations has been exceeded.,False,417,2.262174288651893,3shc,131.88085774318364,5.71999979019165,27,8,\"[(0, 1, 2, 3), (5, 4, 1, 0), (12, 11, 2, 1), (6, 5, 4, 1), (11, 12, 13, 14), (12, 13, 24, 18), (23, 19, 18, 24), (19, 18, 24, 13)]\"\n\"[ 0.04132075 -1.32974556 0.04813917 19.34921459 -8.04542499 -6.84584301\n -2.44895189 0.12779927 -0.03075213 0.45400998 -2.48937883 -2.53890997\n 2.67791117 -0.88638129 1.60229595 -0.6776616 0.55497161 0.75832207\n 0.86138525 -2.27419078 1.83357034 -1.94662384 -2.16584172 0.34133477\n 1.87605231 -1.28041838 -0.50216866 1.4017434 1.42922837 1.41830237\n 0.60856207 -0.0949894 2.74278925 -0.71574619 -0.05043039 -1.12713039\n 0.50569567 0.14192746 -1.54633003 0.82965919 1.48322525 -2.0160657\n -1.50941791 0.62707361 2.26477724 3.12626671 -0.5110753 -0.96453181\n 1.77249887 1.32944207 -1.95882451 -2.23315373 -0.62317845 0.49582747\n 0.59788676 -0.55369347 -1.06992871 2.20700207]\",[-109.0587972],92425,500,Maximum number of iterations has been exceeded.,False,1117,7.672346298120097,5fb0,103.7998461660248,5.46999979019165,84,52,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 25, 26), (17, 18, 20, 21), (18, 20, 21, 22), (17, 25, 27, 28), (25, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 36, 37), (28, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (29, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 45, 46), (37, 40, 41, 42), (40, 41, 42, 43), (38, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50), (46, 47, 52, 53), (47, 52, 53, 54), (52, 53, 54, 55), (53, 54, 57, 58), (54, 57, 58, 59), (57, 58, 59, 60), (57, 58, 61, 62), (58, 59, 68, 69), (58, 61, 62, 63), (61, 62, 63, 64), (62, 63, 64, 65), (59, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 70, 77, 78), (69, 72, 73, 74), (72, 73, 74, 75), (73, 74, 75, 76), (70, 77, 78, 79), (77, 78, 79, 80), (77, 78, 81, 82)]\"\n\"[ 1.13174199e+00 4.67522549e-01 -7.72742771e-02 1.07153326e+01\n 4.91011339e+01 6.03457573e+01 4.26127152e-02]\",[-89.85699389],12604,77,Optimization terminated successfully.,True,315,0.8922574600615669,2q70,55.67267540379155,8.079999923706055,23,1,\"[(6, 19, 1, 2)]\"\n\"[ -1.08902766 -1.61112838 1.77391487 14.06013667 -139.56962867\n 13.42149106 -1.91143151 2.06508397 1.08711898 1.15043279\n 1.24868998 -1.96161309 -0.71807109 0.52407476 1.59530247\n -0.19643067 -2.76851394 1.78025605 1.24001836 1.02601735\n 0.82675503 -0.52952971 -1.68464954 -1.17651289 -2.97018088\n 0.84989005 0.64954379]\",[-80.76748765],85054,500,Maximum number of iterations has been exceeded.,False,608,4.277590870727231,4r02,113.08976281427795,7.409999847412109,45,21,\"[(0, 1, 2, 3), (0, 1, 10, 11), (4, 3, 2, 1), (5, 4, 3, 2), (1, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 16), (12, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 26, 27), (19, 22, 23, 24), (20, 26, 27, 28), (26, 27, 28, 29), (26, 27, 32, 33), (27, 28, 29, 30), (27, 32, 34, 35), (37, 36, 34, 32), (38, 37, 36, 34)]\"\n\"[-1.66549436e+00 -1.74222647e+00 1.51120883e+00 -1.86589669e+01\n -8.74538499e+00 7.51015671e+01 1.29425305e+00 1.16494454e+00\n -1.14617339e+00 -8.68864533e-01 -6.31548859e-02 1.00180663e+00\n -1.01609321e+00 2.66439950e+00]\",[-38.54023932],78414,500,Maximum number of iterations has been exceeded.,False,285,2.482610762703377,5h21,15.842246306774495,5.190000057220459,22,8,\"[(0, 1, 6, 7), (2, 3, 19, 20), (3, 4, 17, 18), (0, 5, 15, 16), (1, 6, 7, 8), (6, 7, 8, 9), (10, 9, 8, 7), (11, 10, 9, 8)]\"\n\"[ 1.43321698 0.5590527 -2.46648863 39.39361014 -23.71624921\n -14.4520288 -1.92420134 0.55868455 3.12827194 -0.51903786\n 1.75212119]\",[-93.9930927],59534,376,Optimization terminated successfully.,True,382,1.4505489581375304,4oho,94.43599861109684,7.769999980926514,32,5,\"[(0, 6, 7, 8), (11, 10, 7, 6), (20, 19, 18, 12), (21, 24, 25, 26), (24, 25, 26, 27)]\"\n\"[ 2.47494598 1.11162409 -0.47545261 71.00511857 48.91203506 10.45032068\n 0.88121265 -0.80415322]\",-158.200010880808,14933,96,Optimization terminated successfully.,True,345,0.7793046457408396,4wtu,154.851070409902,9.520000457763672,33,2,\"[(7, 6, 5, 0), (27, 26, 25, 21)]\"\n\"[-2.41282221e+00 -3.44604313e-03 -4.24592090e-02 2.12785537e+01\n 5.09149482e+00 5.72331546e+01 4.28256622e-01 3.66950061e-01\n -1.96694728e+00]\",[-51.71883034],14670,89,Optimization terminated successfully.,True,216,1.1453394626966362,5wzr,35.85641631015318,7.289999961853027,14,3,\"[(4, 3, 1, 0), (5, 4, 3, 1), (7, 9, 10, 11)]\"\n\"[ 2.28239910e+00 -7.79509989e-01 2.01178333e-02 -2.25474680e+01\n -1.29664256e+01 2.62591786e+01 -5.63514087e-01]\",-83.28014641729311,9562,60,Optimization terminated successfully.,True,273,1.210300788525671,3zpr,69.15588351719789,6.650000095367432,17,1,\"[(3, 11, 8, 0)]\"\n\"[ 0.14315478 -2.91538468 -2.27738026 14.67095397 8.21384332 21.45003629\n -1.66212837 -2.58599876 -0.84435828 -0.93003477 1.41792962 -1.56207379\n -1.08439769 1.26412584 0.50124593 0.23789339 1.02160148 -2.27189983]\",[-64.89070551],81922,500,Maximum number of iterations has been exceeded.,False,572,6.208223505912504,5o9o,89.46505278490736,4.889999866485596,51,12,\"[(0, 1, 2, 37), (40, 39, 3, 0), (4, 13, 14, 15), (13, 14, 15, 16), (17, 16, 15, 14), (18, 17, 16, 15), (23, 22, 21, 18), (25, 26, 27, 28), (33, 32, 31, 23), (34, 33, 32, 31), (41, 40, 39, 3), (41, 42, 43, 44)]\"\n\"[-2.99045425 1.27556531 -0.79199585 45.02176073 93.15199204 33.28455673\n 2.40163083 -0.39864492 -0.31146662 -1.92976562 2.83185644 3.04407413\n 2.2491956 ]\",[-132.68664677],19134,109,Optimization terminated successfully.,True,349,3.2159848504733994,3l4z,103.89162076948875,6.71999979019165,20,7,\"[(0, 3, 7, 8), (2, 4, 9, 10), (4, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (10, 11, 15, 16), (11, 15, 16, 17)]\"\n\"[-0.32577618 -0.3339083 -0.70083826 99.03982397 49.67092348 -8.73264063\n 0.37088399 2.3573383 0.12951633 1.85360692 -1.63098228 1.51115201\n -2.71876077 2.52993609 1.72367089 0.61654021 0.12727212 2.25539442\n 1.25941507 -1.71702165 -0.29307381 2.5700912 -0.78653335 1.02959682\n -2.08967261 0.31200785 1.76369555 -0.65346561 -1.20954575 -0.92112487]\",-134.91896389993568,75801,500,Maximum number of iterations has been exceeded.,False,1387,2.520153992673167,2nwn,99.2526933388932,6.300000190734863,102,24,\"[(6, 7, 10, 11), (17, 16, 13, 12), (18, 17, 16, 13), (26, 27, 30, 31), (27, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34), (41, 42, 45, 46), (42, 45, 46, 47), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (58, 59, 62, 63), (59, 62, 63, 64), (71, 70, 67, 66), (72, 71, 70, 67), (76, 77, 80, 81), (77, 80, 81, 82), (80, 81, 82, 83), (81, 82, 83, 84), (87, 88, 91, 92), (88, 91, 92, 93), (91, 92, 93, 94), (95, 96, 97, 98)]\"\n[-0.82843381 -2.82964689 1.38106712 15.91913809 2.50133705 15.7898168 ],-124.4915417413686,9597,62,Optimization terminated successfully.,True,204,7.02420016513427e-05,4cq0,110.34588688365554,5.090000152587891,13,0,[]\n\"[ 1.21806223e+00 -1.25200159e+00 -2.89128766e+00 3.27273380e+01\n 9.60517235e+00 5.99459605e+01 3.20582933e-01 -2.72569200e+00\n -3.10348676e+00 6.83909475e-01 -2.35690502e+00 -1.15285258e-01\n -1.20381126e+00 1.45451606e+00 2.19979986e+00 -2.72593875e-01\n -7.19297800e-01 -5.81675396e-01 5.43642937e-03 -2.72531598e+00\n -7.08950481e-01]\",[-132.81606568],87050,500,Maximum number of iterations has been exceeded.,False,490,3.552515943623852,2pj5,129.51963238313675,7.820000171661377,35,15,\"[(0, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 10, 11), (8, 10, 11, 12), (10, 11, 12, 13), (10, 11, 17, 18), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (11, 17, 20, 21), (17, 20, 21, 22), (20, 21, 22, 23), (26, 25, 21, 20), (26, 30, 31, 32)]\"\n\"[ 1.47289799 0.07632436 -1.85488273 36.54283999 0.06643122 12.57986758\n 2.8902797 0.64954093 -1.37470191 -2.5716361 ]\",[-112.31379995],16434,98,Optimization terminated successfully.,True,299,0.9449707781215613,1o0n,84.01439765351822,4.090000152587891,21,4,\"[(15, 20, 0, 1), (16, 17, 8, 9), (15, 14, 13, 12), (14, 16, 17, 8)]\"\n\"[-0.45531059 2.97408101 -3.03099983 41.36526314 36.93777892 37.38627495\n 1.65705208 1.48696208 2.27324896 3.07546869]\",[-113.08310682],26892,173,Optimization terminated successfully.,True,313,1.4950291846060775,1loq,83.46127556482907,3.700000047683716,21,4,\"[(0, 1, 4, 5), (6, 5, 4, 1), (7, 6, 5, 4), (14, 13, 12, 7)]\"\n\"[ -1.87934355 -0.80429486 -1.57791022 9.32272622 -23.23485336\n -3.62074488 1.70941464 -2.44248776 0.41222542 -1.91368828\n -1.21362746 0.8792411 0.54486859 -0.79348044 -1.37465768\n 0.24460208]\",[-75.27124609],76484,463,Optimization terminated successfully.,True,582,2.481140993835786,4ogn,65.94485170091184,10.0,44,10,\"[(8, 7, 6, 0), (11, 10, 9, 8), (12, 11, 10, 9), (13, 14, 15, 16), (25, 24, 23, 21), (26, 25, 24, 23), (23, 24, 28, 29), (24, 28, 29, 30), (28, 29, 32, 33), (38, 37, 36, 7)]\"\n[-0.49167619 0.11743442 -1.61594209 9.72066669 -7.94325875 14.06866042],[-30.75477209],17628,114,Optimization terminated successfully.,True,129,0.5693207817862236,3jqf,23.145517044883665,4.460000038146973,9,0,[]\n\"[-0.81353719 -0.53691927 0.78912865 -0.94826861 3.31219405 11.3508896\n -2.91164083 -2.7881582 1.80519693 -3.0477756 1.45187226 2.02350573]\",[-54.11508905],52754,325,Optimization terminated successfully.,True,155,0.9559180865081738,4ze6,23.67969233375891,2.4800000190734863,10,6,\"[(3, 0, 1, 4), (1, 0, 3, 5), (0, 1, 4, 6), (0, 3, 5, 7), (1, 4, 6, 8), (4, 6, 8, 2)]\"\n\"[ 0.62077408 -2.39539402 1.61369783 45.55834649 72.76188358 63.75504942\n -0.71190686 -1.55061147]\",[-76.85939108],16161,101,Optimization terminated successfully.,True,260,1.9925173771259888,3k99,63.58859499193037,7.21999979019165,19,2,\"[(4, 1, 0, 2), (8, 4, 1, 0)]\"\n\"[ 2.03617775 3.05692268 0.39743923 22.1912637 -15.31995152\n 5.51126565 1.6463392 0.15373703 -1.32728827]\",-57.29211648333759,17652,113,Optimization terminated successfully.,True,188,1.3224216515223064,4fci,37.5255797277381,1.2599999904632568,10,3,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 5, 6, 7)]\"\n\"[-1.85627921 -1.59311994 -1.25085815 6.77848418 -0.93857682 36.88289189\n -2.17847972 -2.85983383 -0.30573161 -0.3106257 2.83083776 -0.91646509\n 0.23507125]\",[-116.37679213],52336,323,Optimization terminated successfully.,True,381,2.7054802767768837,5twj,103.30767484033464,5.25,27,7,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 5, 6, 7), (5, 6, 7, 8), (10, 9, 7, 6), (11, 10, 9, 7), (18, 17, 16, 11)]\"\n\"[-1.71078995e+00 -1.41568734e+00 9.93768323e-01 4.96188797e+01\n 3.27308259e+01 -2.17039414e+01 -1.16080520e+00 -2.81925211e+00\n -2.49512031e+00 -1.69555091e+00 2.98313346e-02 -1.95794568e+00\n -6.98062648e-01]\",-139.9456995476723,51618,328,Optimization terminated successfully.,True,448,2.5290901489396753,3p78,139.79366467173656,6.960000038146973,33,7,\"[(4, 0, 8, 9), (4, 5, 16, 17), (5, 6, 12, 14), (28, 27, 12, 6), (5, 16, 17, 19), (21, 20, 17, 16), (22, 21, 20, 17)]\"\n\"[ 3.13943437 -1.10220908 1.45579303 -15.59577082 -9.39622986\n 5.16174805 0.33334245 0.39888466 2.53831377 1.35421568\n 2.03016001 -0.38942116]\",[-199.53761954],65364,407,Optimization terminated successfully.,True,465,3.441424746691672,3lc5,213.96924317484195,6.570000171661377,31,6,\"[(0, 2, 12, 13), (6, 7, 9, 10), (14, 13, 12, 2), (15, 14, 13, 12), (21, 20, 13, 12), (26, 25, 24, 22)]\"\n\"[-1.36336731 2.8012426 0.30556838 -3.39411308 -0.75997977 10.79015942\n -0.53714595 0.56856354]\",[-130.29740503],14900,93,Optimization terminated successfully.,True,253,0.3263859584687018,2gg3,101.91396542694937,6.239999771118164,16,2,\"[(3, 4, 7, 8), (10, 9, 8, 7)]\"\n\"[-1.18767869e+00 1.93117783e+00 -1.60176223e+00 3.42729701e+01\n 3.15805674e+01 9.58622775e+01 -3.23528337e-01 -3.07413051e+00\n 1.08116589e-01 -5.69521566e-03 -1.97719743e+00 -6.21544642e-01\n 9.30368861e-01]\",[-77.3448214],74462,473,Optimization terminated successfully.,True,618,3.632796601265694,5xmr,71.49963494713504,7.610000133514404,42,7,\"[(1, 2, 8, 9), (11, 10, 2, 1), (11, 12, 32, 33), (28, 31, 14, 13), (20, 19, 17, 16), (27, 26, 17, 16), (21, 20, 19, 17)]\"\n\"[ 1.66646362e+00 -4.12002382e-01 1.74843931e+00 -2.79853851e+01\n -2.12612387e+01 1.02697011e+01 -8.06249771e-03 1.51045077e+00\n 1.41914403e+00 4.13466666e-01 -1.08551774e+00 2.26999892e-01]\",[-87.89065274],74282,469,Optimization terminated successfully.,True,383,2.112167809676521,5two,94.12406734744098,8.09000015258789,28,6,\"[(4, 3, 0, 26), (3, 0, 26, 17), (10, 8, 6, 27), (7, 27, 6, 8), (19, 18, 17, 25), (18, 17, 26, 0)]\"\n\"[ 2.04347123 -1.36270666 -1.86896372 9.19408671 -23.57238748\n -1.8495514 -2.96790523 2.51210102 -0.5600833 0.34018728\n 0.05308058 -0.12609858 -2.06262431 1.83922835 0.22655411\n -0.28490092 0.1640223 -0.39727627 -0.49063118]\",[-58.99896044],77232,500,Maximum number of iterations has been exceeded.,False,309,3.1220760598753463,4tkj,47.120806441261074,6.039999961853027,18,13,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (14, 15, 16, 17)]\"\n\"[-2.08825699e+00 7.96694968e-01 2.63404342e+00 3.37213069e+01\n -3.08574386e+01 6.22185264e+01 -1.70804961e-02 -1.11379845e+00\n 6.53796090e-01 -1.46718043e+00 3.45293865e-02 2.71912358e+00\n -1.49262794e+00 1.98919785e+00 9.95780580e-01 -2.00914619e+00\n 2.03869581e-01 -2.69411882e+00 1.42022917e+00 -9.03949935e-01\n -2.08633119e+00 2.37920865e+00 1.12079704e+00 1.49923239e+00\n 2.79772532e+00 -1.58911999e+00 2.88530771e+00 -4.70786429e-01\n -1.84368549e+00 1.21278436e+00 3.90670973e-01 -2.58177242e+00\n -6.73932501e-01 -1.28142138e+00 1.23993623e+00 2.19384777e+00\n 2.59915700e+00 4.42197440e-01 -9.69254231e-02 -1.27788220e+00\n -2.99688064e+00 -1.79109956e+00 2.07786249e+00]\",[-101.04566912],88548,500,Maximum number of iterations has been exceeded.,False,1085,5.993052830349549,2e7l,228.24565078168865,7.539999961853027,76,37,\"[(0, 1, 4, 5), (0, 1, 2, 3), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 8), (2, 9, 10, 13), (9, 10, 13, 14), (9, 10, 11, 12), (10, 11, 17, 18), (10, 13, 14, 15), (11, 17, 18, 21), (17, 18, 21, 22), (17, 18, 19, 20), (24, 23, 19, 18), (27, 24, 25, 26), (24, 25, 30, 31), (25, 30, 31, 34), (35, 34, 31, 30), (30, 31, 32, 33), (42, 41, 32, 31), (36, 35, 34, 31), (45, 42, 43, 44), (42, 43, 48, 49), (43, 48, 49, 52), (53, 52, 49, 48), (48, 49, 50, 51), (49, 50, 59, 60), (54, 53, 52, 49), (50, 59, 60, 63), (59, 60, 63, 64), (59, 60, 61, 62), (60, 61, 67, 68), (60, 63, 64, 65), (61, 67, 68, 71), (67, 68, 71, 72), (67, 68, 69, 70), (68, 71, 72, 73)]\"\n\"[-2.76474461 0.02121551 -2.83899121 -6.47764526 -4.29765796 -5.70019651\n 0.2122061 -2.07671235 2.3905054 0.57545727 2.94940398 -2.34176429\n 0.04669164 0.76841685 -1.30551424 1.86353997 0.43547585 1.41488232]\",[-224.59305089],84753,500,Maximum number of iterations has been exceeded.,False,570,5.282183280492903,6chh,221.76488860920256,5.570000171661377,38,12,\"[(4, 9, 1, 30), (7, 5, 12, 21), (5, 12, 21, 20), (14, 15, 16, 17), (14, 15, 18, 23), (15, 18, 23, 19), (23, 19, 20, 21), (20, 19, 23, 18), (19, 20, 21, 12), (28, 29, 20, 19), (0, 33, 24, 26), (27, 28, 29, 20)]\"\n\"[-2.55409114 -1.90932657 -1.18652784 20.86535607 9.77899903 20.57332685\n -1.67757914 2.23642553 2.05947218 0.07016938 2.51133067 2.70592082\n 1.14658959 0.07441907 -2.06391717]\",[-116.13360011],76798,500,Maximum number of iterations has been exceeded.,False,537,1.9046596452378939,5a14,166.83041246530757,7.300000190734863,36,9,\"[(1, 2, 35, 12), (6, 5, 4, 0), (7, 6, 5, 4), (14, 13, 12, 34), (2, 35, 12, 13), (15, 14, 13, 12), (25, 24, 17, 16), (17, 18, 19, 20), (26, 25, 24, 17)]\"\n\"[-1.26304776 2.41858105 1.77968879 31.98407625 6.3328003 17.86145049\n -1.76944506 2.7094563 1.60025832 0.44226397 0.22740087 2.08189878\n 2.80534324 2.12950805]\",[-135.28281763],44091,278,Optimization terminated successfully.,True,512,2.106684924865368,3dv1,132.81571834440018,6.230000019073486,31,8,\"[(0, 1, 19, 20), (1, 19, 21, 22), (19, 21, 22, 23), (21, 22, 24, 25), (22, 24, 26, 27), (24, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[-1.91406176 -0.2295527 -2.5378656 -0.88845687 11.25061245 8.63089089\n -2.13828792]\",[-115.70588274],6808,39,Optimization terminated successfully.,True,203,0.6741030413711406,1oif,105.05167762951929,7.71999979019165,10,1,\"[(1, 7, 8, 9)]\"\n\"[ 0.92019266 -1.65932629 -0.88672117 5.07692647 2.39121177 14.2380101\n -0.75710056 -1.27503653 1.86394829 2.79061764 2.47690072 2.10333605\n -2.63563617 2.17370024 1.96430515 1.34413203 -2.98944341 -1.23191358\n -0.80213521 -0.70980929 -1.7747956 1.04758276 0.73318606 2.42334403\n -0.57945611 -0.08691288 2.43410551 2.50831596 0.25702397 0.82633963\n -2.45062367]\",[-95.81010364],80023,500,Maximum number of iterations has been exceeded.,False,677,5.460639336475042,1hvk,252.4565896713317,10.960000038146973,58,25,\"[(1, 0, 2, 3), (1, 0, 11, 12), (5, 4, 2, 0), (6, 5, 4, 2), (0, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 18, 19), (13, 18, 19, 20), (21, 20, 19, 18), (18, 19, 27, 28), (22, 21, 20, 19), (19, 27, 30, 32), (27, 30, 32, 33), (32, 31, 42, 41), (42, 31, 32, 30), (34, 33, 32, 30), (35, 34, 33, 32), (47, 40, 41, 42), (41, 40, 47, 48), (40, 41, 42, 43), (40, 41, 44, 45), (40, 47, 49, 50), (52, 51, 49, 47), (53, 52, 51, 49)]\"\n\"[-1.12073168 0.14238498 -1.91374337 19.6436499 0.3868643 28.14464413\n -0.07890841 -2.98388334 1.2442482 1.7611396 -0.15913232 2.89984115\n 3.12003961 0.80874717 -1.21399632]\",[-115.57943006],76270,500,Maximum number of iterations has been exceeded.,False,398,3.5351580319346465,1yyy,87.1388480791071,5.090000152587891,28,9,\"[(4, 3, 0, 1), (5, 4, 3, 0), (7, 10, 11, 12), (10, 11, 12, 13), (11, 12, 16, 17), (15, 14, 20, 17), (12, 16, 17, 18), (16, 17, 18, 19), (14, 20, 17, 16)]\"\n\"[-2.32931019 -2.51214839 0.6500373 27.86905892 10.32326684 50.35570903\n 2.63475974 0.52447518 -2.47175256 -0.33686555]\",[-153.24922734],12284,74,Optimization terminated successfully.,True,407,2.71615799004843,2bz5,110.99821359498557,6.150000095367432,30,4,\"[(1, 7, 8, 9), (12, 11, 8, 7), (13, 12, 11, 8), (20, 19, 18, 13)]\"\n\"[-1.00087695 -0.95507855 1.79713493 19.63904839 5.48684662 0.10006477\n -0.77745899 2.53444762 -3.13296157 -1.4197501 ]\",[-91.36249921],19813,125,Optimization terminated successfully.,True,365,1.066129837535466,3fr5,66.65825643908971,6.349999904632568,27,4,\"[(4, 3, 1, 0), (18, 17, 16, 4), (19, 18, 17, 16), (19, 20, 21, 22)]\"\n\"[ 1.60582238 -2.22319292 1.51243396 37.36537527 48.84545808 39.31241372\n -1.89879337 3.1200466 3.03447299 -2.12372903]\",-123.26527147349545,26631,175,Optimization terminated successfully.,True,403,0.7690630485822418,5t4f,124.76491190809004,8.0,33,4,\"[(25, 24, 2, 1), (18, 17, 3, 5), (3, 6, 13, 14), (26, 25, 24, 2)]\"\n\"[ -0.52206292 0.26184622 1.45488738 -30.18226584 -37.18630391\n -17.3773894 0.93536236 2.54016442 -0.40322235 1.81148698\n 0.32133182 -0.5644893 -0.09055396 -2.37407599 -2.24560383]\",[-94.79496182],76158,500,Maximum number of iterations has been exceeded.,False,581,3.131831320721581,3fi3,151.13010094427221,7.920000076293945,38,9,\"[(3, 24, 4, 26), (6, 27, 4, 24), (7, 16, 5, 17), (2, 6, 27, 4), (5, 16, 7, 11), (3, 21, 19, 9), (28, 29, 30, 31), (29, 32, 33, 34), (2, 35, 36, 37)]\"\n\"[ 2.33481182 -0.64217488 -1.20735895 16.44203226 -19.48088032\n 42.0244806 0.24413413 -2.20739687 2.28170195 2.58696847\n -2.3644787 2.58533272]\",[-90.77108349],18434,111,Optimization terminated successfully.,True,270,0.6641590717513232,2ya6,71.0813537928856,5.699999809265137,20,6,\"[(2, 1, 0, 12), (3, 4, 11, 9), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 18), (4, 11, 9, 10)]\"\n\"[ 0.7968695 -0.75976823 1.88589575 -19.38638615 58.77778849\n 42.21124457 -0.29992827 0.33896934 1.68002143 -0.765597\n -2.29857808 0.28272964 -2.03843257 -0.06151064 -1.23241117\n -1.2119922 1.03470159 1.23582017 -2.45940972 -0.8606949\n -1.1740121 -2.22824188 0.96607191 2.46987856 1.74839098\n -1.11878883 1.47273986 2.31170361 -0.17922616]\",[-69.46978195],89064,500,Maximum number of iterations has been exceeded.,False,696,2.6200989644291988,1fq7,118.10929465726488,5.429999828338623,49,23,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 9), (7, 8, 9, 10), (12, 11, 8, 7), (8, 9, 18, 19), (13, 12, 11, 8), (9, 18, 19, 20), (18, 19, 20, 21), (23, 22, 19, 18), (19, 20, 28, 29), (24, 23, 22, 19), (20, 28, 29, 30), (31, 30, 29, 28), (28, 29, 37, 38), (32, 31, 30, 29), (29, 37, 39, 40), (37, 39, 40, 41), (39, 40, 41, 42), (39, 40, 45, 46), (40, 41, 42, 43), (40, 45, 47, 48)]\"\n\"[ 0.51439555 1.90380202 -0.9123976 8.04895062 38.80599732 4.09121326\n 1.56800117]\",-33.9209177286888,13566,86,Optimization terminated successfully.,True,104,1.135383690951003,1w70,27.22244268273156,3.700000047683716,7,1,\"[(2, 0, 1, 3)]\"\n\"[ 1.73991343e+00 2.00414388e+00 2.40508359e+00 4.34900746e+01\n -2.26211833e+00 2.95221447e+01 -3.81917205e-02 5.77378210e-01]\",[-208.02763516],8572,49,Optimization terminated successfully.,True,255,1.4828643710635514,1o34,194.06463999129437,5.739999771118164,19,2,\"[(1, 0, 6, 7), (13, 12, 11, 9)]\"\n\"[ 1.33612129 -1.13408513 0.86005198 10.00524971 55.82800412 81.96509916\n 1.45790129 -0.18631118 0.10634698 1.37928971 -1.83686432 2.4096841\n 2.72217777 -1.09813778 -0.79341496 0.4209319 -2.51709922]\",[-123.7339932],77841,500,Maximum number of iterations has been exceeded.,False,428,4.314219411937134,5nw1,131.1967007776711,6.599999904632568,36,11,\"[(0, 3, 4, 5), (3, 4, 6, 7), (4, 6, 7, 8), (6, 7, 8, 9), (6, 7, 12, 13), (15, 14, 12, 7), (14, 19, 20, 21), (19, 20, 22, 23), (24, 23, 22, 20), (25, 24, 23, 22), (31, 30, 29, 26)]\"\n\"[ -2.0107554 1.64064281 0.39104707 25.72865599 0.42508251\n -15.9999135 -0.83550682 0.34962229 -2.76204866 -0.28236278\n -1.1004993 2.39872231 -2.24956212 -1.83322439 0.96953156\n -0.0341363 0.09734434 0.4324287 2.12923773 -1.2882713 ]\",[-87.23555657],45531,269,Optimization terminated successfully.,True,546,2.878015133835897,4bh4,58.789389477333565,1.4900000095367432,46,14,\"[(2, 1, 0, 12), (22, 27, 1, 0), (3, 4, 11, 9), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 18), (4, 11, 9, 10), (34, 42, 20, 21), (1, 27, 22, 21), (23, 24, 25, 30), (31, 32, 39, 37), (20, 42, 34, 33), (34, 35, 36, 44), (32, 39, 37, 38)]\"\n\"[ 1.59875755 -0.69745419 1.70525908 -2.45695798 7.95611641 17.00118107\n 2.82566705 -1.27270389 -1.70008815 -2.32250962 -0.68337635 -2.44520839\n -2.44064191 0.28148739 -1.96923986 -2.09578222 -1.12668739 2.4201511\n 0.94683043]\",[-76.52247929],32700,209,Optimization terminated successfully.,True,540,3.4908242621368473,3uda,46.25378365346435,5.010000228881836,41,13,\"[(3, 0, 2, 14), (1, 3, 0, 2), (30, 31, 1, 3), (17, 4, 13, 12), (3, 5, 6, 7), (5, 6, 7, 20), (8, 10, 12, 13), (10, 12, 13, 4), (26, 27, 23, 38), (26, 24, 25, 35), (24, 26, 27, 23), (1, 31, 30, 28), (30, 32, 34, 36)]\"\n\"[ -1.48895661 0.37287832 1.74319448 12.80780667 -11.71141447\n 2.41303394 1.63041738 0.22602704 0.60352943 -0.28162349\n -1.9185112 -0.46727397 -2.06832291 2.60406527 -2.14261032\n -2.91240331 2.17217302 1.73423865 -1.03376032 0.13552646\n 0.65317067 2.35163044 0.84491136 -0.66983657 1.13835966]\",[-73.28905143],76346,500,Maximum number of iterations has been exceeded.,False,608,3.690538288851874,3sjo,123.05782281202953,5.78000020980835,43,19,\"[(2, 0, 1, 3), (1, 0, 27, 28), (0, 1, 3, 4), (5, 4, 3, 1), (1, 3, 23, 11), (6, 5, 4, 3), (23, 11, 12, 13), (12, 11, 23, 3), (14, 13, 12, 11), (11, 12, 18, 19), (15, 14, 13, 12), (12, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 25), (20, 21, 25, 26), (0, 27, 28, 29), (0, 27, 31, 32), (27, 28, 29, 30), (38, 37, 29, 28)]\"\n\"[ -0.17893727 1.81843704 2.01641287 -25.90690446 -4.14218311\n 61.83579414 -0.16958158 2.87854315]\",-44.82022307045,18277,118,Optimization terminated successfully.,True,248,1.7593338560181975,4pvo,31.579899244682203,6.309999942779541,18,2,\"[(4, 3, 2, 1), (5, 4, 3, 2)]\"\n\"[ -0.88693697 -0.41171289 -0.46973747 -17.30025913 30.40731088\n 11.42979372 0.16851297 -2.21155347 1.15300606 0.74503244\n -2.08061009 -0.63200423 -1.85283337 0.97429197]\",[-218.24326733],78519,500,Maximum number of iterations has been exceeded.,False,628,4.720112326558306,5he1,208.0111161891153,6.550000190734863,41,8,\"[(3, 2, 1, 0), (13, 12, 1, 0), (4, 3, 2, 1), (21, 20, 13, 12), (21, 22, 27, 28), (22, 27, 29, 30), (31, 30, 29, 27), (32, 31, 30, 29)]\"\n\"[ -2.65660554 1.24939697 -1.33774263 -11.55029271 5.38217642\n -3.69144768 -2.11172572 2.28473861 0.47593072 0.51071892\n 1.7797205 2.1043132 -1.71571559 0.87588852 1.74278626\n -1.06217265]\",[-75.98646835],81214,500,Maximum number of iterations has been exceeded.,False,414,3.19018459630676,5dhr,55.96058377126401,4.639999866485596,37,10,\"[(10, 15, 4, 1), (9, 8, 7, 6), (10, 9, 8, 7), (4, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26), (23, 25, 26, 27), (28, 27, 26, 25), (29, 28, 27, 26)]\"\n\"[ -0.31168487 2.02985119 -1.7063547 -14.28785038 9.02389232\n -30.75258579 -1.23079513 0.3550075 -1.52685596 -0.50144358\n -2.73433874 -2.5068801 -2.40158672 -2.36859829 -0.06881886]\",[-115.52248427],23118,140,Optimization terminated successfully.,True,527,4.431874187282535,3m3c,66.7103855836791,4.059999942779541,35,9,\"[(15, 16, 0, 1), (3, 4, 5, 10), (28, 31, 12, 11), (12, 13, 14, 22), (13, 14, 22, 23), (0, 16, 15, 13), (11, 19, 20, 21), (26, 25, 32, 33), (12, 31, 28, 27)]\"\n[-1.01226458 -0.36442587 3.13001664 11.16199015 38.21462059 -1.58390832],-46.263935629338896,8397,54,Optimization terminated successfully.,True,146,0.0004964035758798284,4led,33.97047987700832,2.299999952316284,11,0,[]\n\"[ -2.6630628 -1.28420598 0.60241361 -25.74624806 29.58408903\n -16.29431732 0.42937013 0.15707949 -2.64989969 -0.59481287\n 0.08852639 0.73260013]\",[-77.09390508],31473,196,Optimization terminated successfully.,True,235,2.255937954581987,3k5x,34.45357432867651,6.409999847412109,15,6,\"[(0, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 11), (4, 5, 7, 8), (5, 7, 8, 13)]\"\n\"[-0.4110534 0.22839263 0.11624097 17.16236249 3.94002799 14.33731792\n 1.21642638]\",[-40.72479189],7472,43,Optimization terminated successfully.,True,144,0.39272755509689056,4e4a,21.215495423608772,2.049999952316284,10,1,\"[(7, 2, 1, 4)]\"\n\"[ 3.00009818 -0.28082052 -2.75845057 -23.0226455 2.110123\n -14.64390781 -0.07141319 -2.81599287 -2.4335455 -2.47454811\n 0.66969834 0.15989345]\",[-222.91654565],23153,140,Optimization terminated successfully.,True,482,0.6547050425811176,4agc,222.02307389399834,10.699999809265137,28,6,\"[(0, 1, 2, 3), (5, 4, 1, 0), (11, 10, 8, 4), (12, 11, 10, 8), (17, 18, 20, 21), (23, 22, 21, 20)]\"\n\"[ 2.53904629 -2.88202015 1.22612113 -12.80942786 11.40498541\n -11.54650958 -2.89217122 2.1925029 0.47098544]\",[-152.53984595],16013,100,Optimization terminated successfully.,True,274,1.2767773770849515,5dde,132.87290039649443,7.190000057220459,26,3,\"[(14, 13, 2, 1), (9, 8, 6, 5), (10, 9, 8, 6)]\"\n\"[ 2.36738693e-01 -1.77524379e+00 2.21652905e+00 -1.04744944e+01\n 1.23331534e+01 -2.56169040e+01 7.49522942e-01 -1.95245442e-02\n -1.55813640e+00 -1.44460890e+00 7.78833728e-01 6.04291863e-01\n -1.27130280e+00 -3.16927415e-01]\",[-230.75321346],28672,177,Optimization terminated successfully.,True,403,1.932399059837153,5ug9,227.37450210316098,8.100000381469727,32,8,\"[(0, 13, 1, 14), (20, 19, 2, 14), (3, 4, 6, 7), (0, 10, 27, 28), (8, 20, 19, 2), (20, 23, 24, 25), (10, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ 2.08985402 1.28840485 1.98799749 46.07634305 62.00183857 -3.82198861\n -0.0905339 0.8548688 0.18993048 2.58151671 -0.86274716 -1.64493553\n 0.88326914]\",[-173.31017401],54142,337,Optimization terminated successfully.,True,471,1.1620147405216932,2xyr,143.37468603946752,6.130000114440918,27,7,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 5, 6, 7), (5, 6, 7, 8), (10, 9, 7, 6), (11, 10, 9, 7), (18, 17, 16, 11)]\"\n\"[ 2.20689607 -0.60203633 -0.9381871 17.66176419 50.57680972 16.72816256\n -2.16581423 1.58827017 2.55471123 1.00601387]\",[-101.45222316],11588,72,Optimization terminated successfully.,True,243,1.2363103779197606,1zc9,75.52437976626021,3.2200000286102295,16,4,\"[(3, 5, 6, 7), (5, 8, 10, 11), (8, 10, 11, 12), (10, 11, 12, 13)]\"\n\"[ -1.2361815 0.18334843 -1.64302311 -21.31747771 -28.61344683\n -18.5542716 -1.31993638 -2.10093777]\",[-136.78666408],15372,89,Optimization terminated successfully.,True,245,1.2468049225124598,4fev,122.48545209389609,5.420000076293945,21,2,\"[(3, 0, 17, 18), (11, 10, 8, 4)]\"\n\"[ 0.60193955 0.92249149 -2.20616177 33.3157526 12.6438193 60.88364029\n 1.88746294 -0.90103552 0.59219595 -1.99569014 0.15225556 2.70004421\n -1.56870225 -0.1482336 ]\",[-110.98494362],79059,500,Maximum number of iterations has been exceeded.,False,370,2.099813917703577,2v8w,93.90209180053554,6.820000171661377,33,8,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 8, 9), (5, 8, 9, 10), (8, 9, 12, 13), (14, 13, 12, 9), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n\"[ -1.20260233 2.87878001 0.20338869 66.5125973 -10.87000399\n 21.62058577 -2.62442702 0.96792572 0.68083526]\",[-85.24961396],17367,108,Optimization terminated successfully.,True,285,0.5685657666342652,5tcj,68.52739679686255,7.380000114440918,21,3,\"[(7, 3, 0, 19), (2, 7, 4, 5), (6, 14, 12, 11)]\"\n\"[ -1.4352037 -2.39055695 -1.41433765 -29.54035121 5.49077152\n -16.08868024]\",[-52.61756764],8642,54,Optimization terminated successfully.,True,207,4.46583732186668e-05,5g45,45.678199224602295,3.299999952316284,12,0,[]\n\"[ 0.48350081 2.31291477 -0.6615711 41.07766621 30.89166232 31.84794396\n -1.50477604 -3.013188 -2.69439113]\",[-129.21047853],25509,162,Optimization terminated successfully.,True,373,1.0340105389601606,3psd,113.61804537322912,8.520000457763672,29,3,\"[(18, 5, 0, 1), (7, 6, 1, 0), (13, 12, 3, 2)]\"\n\"[ 0.99050514 2.37882618 -1.87639881 17.09913025 63.26534754 50.38648497\n 0.45073025 1.556818 -0.96269114 -0.67082949 1.48080006 0.3147731\n 1.13894396 1.50513239 -1.26729292 -1.80136131 -1.97532756 1.21654069\n -1.3420533 -0.42844525 -0.28966523 2.66684441 -2.24670989 1.25382779\n -0.08378601 2.03660437 -1.24339305 -1.86421347 -2.45574375 0.30010481\n -1.60553638 0.56776086 -1.09289083 -0.39326789]\",[-71.93631129],87165,500,Maximum number of iterations has been exceeded.,False,722,6.382238608449658,1p4u,76.79587185393008,5.300000190734863,55,28,\"[(0, 1, 4, 5), (0, 1, 2, 3), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 12), (13, 12, 9, 8), (8, 9, 10, 11), (9, 10, 19, 20), (14, 13, 12, 9), (10, 19, 20, 21), (19, 20, 21, 22), (24, 23, 21, 20), (27, 24, 25, 26), (24, 25, 30, 31), (25, 30, 31, 34), (30, 31, 34, 35), (30, 31, 32, 33), (31, 32, 38, 39), (31, 34, 35, 36), (32, 38, 39, 42), (38, 39, 42, 44), (38, 39, 40, 41), (39, 40, 45, 46), (40, 45, 46, 47), (45, 46, 47, 48), (46, 47, 49, 50), (47, 49, 50, 53), (49, 50, 51, 52)]\"\n\"[ 1.10483313e+00 -2.40009934e+00 -9.15895645e-01 -1.83147275e+01\n 2.04898240e+01 1.63133909e+01 7.33406618e-01 1.46028423e+00\n 1.94593297e-01 -1.78021391e+00 7.45677372e-01 6.18472550e-01\n -2.20353201e+00 -9.52474653e-03 -1.13188660e+00 -1.01057985e+00\n 8.95904488e-01 -1.81695307e+00]\",[-106.94712112],83024,500,Maximum number of iterations has been exceeded.,False,496,2.2930605490792177,6c0t,168.6121207923007,7.369999885559082,41,12,\"[(1, 16, 2, 31), (18, 31, 2, 16), (3, 4, 33, 5), (20, 6, 5, 33), (4, 33, 5, 6), (8, 9, 10, 36), (11, 36, 10, 9), (12, 11, 36, 10), (14, 13, 12, 11), (0, 14, 13, 12), (4, 18, 31, 2), (25, 26, 40, 27)]\"\n\"[-1.19681709e+00 -3.12165415e+00 -1.74222446e+00 -1.27592521e+01\n 1.44918710e+01 -2.12202770e+01 2.99615029e+00 8.98612090e-01\n -9.48252952e-01 1.09675657e+00 -8.80661375e-01 9.85815064e-01\n -8.26634057e-01 1.08912538e+00 -8.16598301e-03 -1.55477676e+00\n 2.18776621e+00 -1.54904756e-01 1.85842782e+00 -3.56246935e-01\n 1.71046019e+00 8.39805397e-01 -2.59826339e+00 -1.04996581e+00\n -3.43120619e-01 -8.94102635e-01 1.05153466e-01 -1.44527259e+00\n 1.38743992e+00 7.53463115e-01 6.77326786e-01 -1.29437877e+00\n 8.34533466e-01 1.02415153e+00 1.02076633e+00 3.10223273e-01\n -2.03300681e-01 9.59229889e-01 -1.82388146e-01 -1.85095934e+00\n -4.61257937e-01 -1.09476856e+00 -2.35894410e+00 3.28751668e-01\n 2.32734282e+00 -2.36493485e+00 -9.68538901e-01 1.21397196e+00\n -7.41441084e-01 1.09148834e+00 4.99207479e-01 -1.09697735e+00\n -3.08834505e+00 8.70348591e-01]\",[-63.80468077],83087,500,Maximum number of iterations has been exceeded.,False,1109,6.294972878688333,1om2,29.86433558735509,4.699999809265137,87,48,\"[(0, 1, 2, 3), (5, 4, 2, 1), (4, 5, 6, 7), (5, 6, 11, 12), (6, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 22, 23), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (13, 22, 23, 24), (22, 23, 24, 25), (22, 23, 26, 27), (23, 24, 30, 31), (23, 26, 27, 28), (24, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 36, 37), (32, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 47, 48), (37, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 44), (38, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 55, 56), (48, 51, 52, 53), (49, 55, 56, 57), (55, 56, 57, 58), (55, 56, 59, 60), (56, 57, 63, 64), (56, 59, 60, 61), (57, 63, 64, 65), (63, 64, 65, 66), (63, 64, 67, 68), (64, 65, 69, 70), (65, 69, 70, 71), (69, 70, 71, 72), (74, 73, 70, 69), (70, 71, 81, 82), (75, 74, 73, 70), (71, 81, 82, 83), (81, 82, 83, 84)]\"\n\"[-3.13714585 -0.13657132 -1.37135902 -8.32794833 0.37443929 25.22523563\n 0.35383045 -0.68917904 1.44447542]\",[-238.48431225],12861,76,Optimization terminated successfully.,True,486,3.3775923897732585,2wxi,216.18430682341665,8.149999618530273,34,3,\"[(8, 7, 6, 1), (20, 19, 18, 7), (21, 20, 19, 18)]\"\n\"[ 1.72363266 2.81402569 0.53770087 3.2609183 2.54426692\n -10.60099875 -1.70459992 0.97417426 -0.21875167 -3.10752212\n -2.85289357]\",[-151.57807492],24000,149,Optimization terminated successfully.,True,323,1.9287287557460642,1xlx,137.9207971749319,7.599999904632568,25,5,\"[(4, 3, 1, 0), (12, 11, 8, 5), (13, 14, 15, 16), (20, 19, 17, 14), (21, 20, 19, 17)]\"\n\"[ -2.60496411 1.36194268 0.48665866 9.69932092 -39.4526208\n 85.45654085 0.38830079 0.40636649 -0.49787709 -1.85408195\n 0.54171044]\",-104.07703737856504,34286,220,Optimization terminated successfully.,True,287,2.748772290775903,5tv3,62.67700996834177,8.09000015258789,24,5,\"[(5, 4, 1, 0), (6, 9, 10, 11), (14, 13, 10, 9), (15, 14, 13, 10), (15, 16, 17, 18)]\"\n\"[ 8.45865135e-01 7.74986182e-01 -1.23731943e+00 9.68026299e+01\n 2.49501306e+02 6.39727976e+00 1.96934713e-01 1.27953350e+00]\",[-52.0310105],13684,85,Optimization terminated successfully.,True,126,1.7178567944538687,5qa7,38.13884641647486,3.9600000381469727,16,2,\"[(5, 2, 0, 1), (9, 8, 7, 3)]\"\n\"[ 1.41625961 0.72047231 -0.19995788 46.80000934 60.29743281 43.02858484\n 1.84970696 -2.6619109 -0.27050181 0.06693315 2.14748041 1.52228525\n 0.94518078 -2.93733301 0.54878339]\",[-146.92828084],77022,500,Maximum number of iterations has been exceeded.,False,562,2.3856637028415877,4qtb,188.21771165517376,6.699999809265137,44,9,\"[(3, 2, 1, 0), (19, 18, 1, 0), (4, 3, 2, 1), (8, 7, 6, 5), (20, 21, 23, 24), (21, 23, 24, 25), (27, 26, 24, 23), (33, 32, 29, 28), (39, 38, 35, 34)]\"\n\"[ 0.81270141 1.99624593 -2.96848914 25.20690249 -4.19930604 1.50324685\n 1.35250739 -0.38697137 -1.46784547 -0.05323422 3.07821625 0.14457347\n 0.68484137 -1.27062584]\",[-91.09924448],25291,153,Optimization terminated successfully.,True,695,1.341812737995921,2q2n,58.19159487230227,6.480000019073486,46,8,\"[(1, 2, 41, 3), (11, 12, 43, 10), (17, 18, 20, 21), (22, 21, 20, 18), (23, 22, 21, 20), (29, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35)]\"\n\"[ 8.34608892e-01 2.86236173e+00 2.41908170e+00 3.56023236e+01\n 3.30159544e+01 6.87597520e+01 -3.92313639e-01 1.20870972e+00\n 2.29767641e-02]\",[-213.33297541],9697,58,Optimization terminated successfully.,True,274,1.4450327362767805,3hdm,197.30627425503775,7.400000095367432,24,3,\"[(5, 17, 6, 0), (4, 7, 9, 22), (8, 18, 16, 2)]\"\n\"[ 2.61080832 -2.09168334 -0.23662023 2.6087211 30.60798415\n -15.60899826 2.1658215 -1.5185303 2.11128009 2.45796071\n -1.69498134]\",[-77.26779176],19398,122,Optimization terminated successfully.,True,290,1.6224146611479795,5tg4,52.324346415842506,3.319999933242798,17,5,\"[(2, 3, 6, 7), (0, 5, 9, 10), (5, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13)]\"\n\"[ -2.8787653 1.60629995 -0.66678759 -26.30278087 19.33502031\n 18.36217868 -1.65793207 2.468288 -0.11990525 1.50246336\n -2.43518133 -0.89316758 -2.39770471 1.51198555 -1.88485909\n 1.29564671 -1.124809 -2.31445797 -1.48917734]\",[-103.55654425],77752,500,Maximum number of iterations has been exceeded.,False,263,2.2843730818755565,4zyz,153.6272040049362,7.170000076293945,29,13,\"[(4, 5, 28, 15), (16, 11, 12, 13), (12, 11, 16, 17), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 28), (5, 28, 15, 14), (11, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (18, 19, 25, 26), (19, 20, 21, 22), (20, 21, 22, 23)]\"\n\"[ 1.87412637 1.60394856 -2.21532308 38.17121339 19.07172862 59.13717698\n -2.77824011 -1.59398793 0.09667362 1.5740857 0.84575071 -0.47133993\n -1.81150762 -1.10277926 -1.27534617 2.35013502 2.43370152 -3.01934959\n 0.09068366 0.1495479 1.36724478 -2.21998643 -0.79868276 -0.9715505\n -2.8150243 -0.60872435 -2.23339905 0.78542621 -3.1036277 -0.9388208\n -0.36832548 0.98561766 0.4211586 0.36966683 2.85466482 -1.32785986]\",[-62.85603961],93658,500,Maximum number of iterations has been exceeded.,False,561,6.23070284340491,2f6j,74.54607937151178,5.570000171661377,52,30,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 9), (5, 6, 9, 10), (5, 6, 7, 8), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 20), (16, 17, 20, 22), (16, 17, 18, 19), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 30, 31), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 32), (24, 30, 35, 36), (30, 35, 36, 39), (35, 36, 39, 40), (35, 36, 37, 38), (36, 37, 44, 45), (36, 39, 40, 41), (39, 40, 41, 43), (37, 44, 45, 48), (44, 45, 48, 50), (44, 45, 46, 47)]\"\n\"[ 1.09956251 -0.6180204 0.89343584 9.20489317 -0.12841248 48.02269453\n -3.11245279 1.76358875 1.03588564 1.04438989 0.87523442 1.41731035\n 2.03070401]\",[-119.54512317],59650,375,Optimization terminated successfully.,True,445,3.4430253341446715,3zeb,54.069776992435415,6.130000114440918,21,7,\"[(3, 2, 1, 0), (0, 1, 12, 13), (4, 3, 2, 1), (3, 9, 10, 11), (1, 12, 13, 14), (15, 14, 13, 12), (16, 15, 14, 13)]\"\n\"[ 1.68783435 -1.10588311 -0.75413797 25.21038497 14.02101554 11.78858627\n 1.81528891 1.41216547]\",-43.06397333513001,14781,95,Optimization terminated successfully.,True,150,0.9487967436511096,4dst,31.341616275533653,2.9600000381469727,15,2,\"[(2, 4, 12, 13), (4, 12, 13, 14)]\"\n\"[ 1.17976922 -1.92188307 -0.0685266 -15.76848701 35.48259888\n 41.23435157]\",[-34.26881772],11245,70,Optimization terminated successfully.,True,132,0.00016630286373743724,1il5,28.429225708304642,2.6600000858306885,10,0,[]\n\"[ 5.00676403e-01 -3.08813385e-01 -1.78757205e+00 -1.41889765e+01\n 2.04872347e+02 1.10292841e+02 1.77261969e-01 2.08463108e+00\n -4.73850506e-01]\",-217.4851145674,13674,87,Optimization terminated successfully.,True,291,2.014706817783443,3ej1,193.11814529457482,6.920000076293945,19,3,\"[(1, 9, 5, 6), (13, 16, 7, 17), (7, 16, 13, 12)]\"\n\"[ -0.32362895 2.24595863 -2.39172547 -17.31648756 -46.03309459\n -17.42109603 2.98883038 -3.1271465 0.63165496 -0.7338824\n -2.0751296 0.79659003]\",[-134.79904498],31941,195,Optimization terminated successfully.,True,335,2.9952868436887155,5v5n,126.90755013282936,8.020000457763672,24,6,\"[(2, 1, 0, 18), (4, 5, 6, 19), (7, 19, 6, 5), (20, 7, 19, 6), (21, 14, 15, 16), (7, 21, 14, 15)]\"\n\"[ 2.94694599 -2.49476914 -2.5528176 5.21947706 4.76323476 -4.47951201\n 2.1670956 -0.02004052 -0.9002175 -0.19585126 1.87560756 -0.59735204\n 0.54536369 -0.50250627 -1.08921083 1.76968304 -0.05244236 -0.31098902\n 0.97717955 -1.73482341 2.00988237 2.15381905 1.84115298 2.46440381\n 0.18569828 0.47132442 -0.32580979 0.77003322 2.4311406 -1.52081225\n -0.05992581 -0.83897249 2.3276848 -2.6542709 -1.6913729 2.01656475\n 2.61340509 -1.18759381 -0.11179043]\",[-87.16456782],80916,500,Maximum number of iterations has been exceeded.,False,810,6.862168939426391,2joa,70.50696333661192,5.960000038146973,69,33,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 14, 15), (10, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (15, 16, 25, 26), (15, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (16, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 33, 34), (26, 29, 30, 32), (27, 33, 34, 35), (33, 34, 35, 36), (38, 37, 34, 33), (34, 35, 47, 48), (39, 38, 37, 34), (35, 47, 48, 49), (47, 48, 49, 50), (52, 51, 48, 47), (48, 49, 61, 62), (53, 52, 51, 48), (49, 61, 62, 63), (61, 62, 63, 64), (61, 62, 65, 66)]\"\n\"[-0.72609834 -2.89306551 2.41406927 20.09604168 59.82789229 17.15702159\n -2.5268046 -2.96919932 2.6395754 -1.52878326]\",[-119.28273695],17314,109,Optimization terminated successfully.,True,278,0.9746314788786014,3kc1,106.51667601993876,9.0,21,4,\"[(1, 2, 12, 13), (0, 5, 15, 16), (2, 12, 13, 18), (12, 13, 18, 14)]\"\n\"[ 0.30066053 0.26576292 -2.00086617 -3.4270348 -11.97322506\n 1.78477545 0.30883568 -0.37551835 -0.0586214 ]\",[-41.30306081],12159,72,Optimization terminated successfully.,True,229,1.3750525544956205,3arz,26.072673076401784,6.0,17,3,\"[(1, 0, 14, 15), (10, 9, 7, 6), (0, 14, 15, 16)]\"\n\"[ -2.18311826 2.19546507 -2.97648055 -25.11793506 -1.07489305\n -5.29311549 0.32733822 0.44683631 -1.98990354]\",[-74.27369617],20828,125,Optimization terminated successfully.,True,287,1.2394805192957654,3cfn,53.888728120342144,5.0,21,3,\"[(12, 8, 0, 1), (13, 12, 8, 0), (7, 10, 9, 18)]\"\n\"[ 6.17481942e-01 5.03091886e-01 -9.12797556e-01 -4.38007324e+00\n 2.51437537e+01 5.30089572e+00 -2.23816086e+00 -2.91008059e+00\n 5.67992316e-01 -4.99607904e-01 9.80807670e-01 1.18923316e+00\n -1.17590670e+00 1.67992593e-02 1.61506880e+00 -1.09063618e+00\n -1.99118345e+00]\",[-103.89035434],77895,500,Maximum number of iterations has been exceeded.,False,563,4.268200559728382,4wf2,161.59924028842903,8.100000381469727,37,11,\"[(1, 0, 3, 4), (1, 0, 23, 22), (5, 4, 3, 0), (6, 5, 4, 3), (13, 12, 11, 6), (24, 22, 23, 0), (23, 22, 24, 25), (22, 24, 25, 26), (24, 25, 26, 27), (28, 27, 26, 25), (29, 28, 27, 26)]\"\n[-0.55793733 -2.6505398 1.54650832 36.51237832 24.85819874 1.3602998 ],[-102.45098358],9481,56,Optimization terminated successfully.,True,227,1.7418594447068594e-05,5ii1,83.66768473573796,5.480000019073486,15,0,[]\n\"[-1.51165968 -1.55105191 -2.79662382 13.44848022 -7.54576594 -3.84043387\n 1.30459446 1.9357324 2.03831622 2.46596164 -1.88367602 2.62991261]\",[-106.13974586],71500,450,Optimization terminated successfully.,True,299,0.9493469074713853,4ajk,94.68814600252804,3.109999895095825,19,6,\"[(1, 4, 14, 7), (14, 7, 10, 11), (4, 14, 7, 10), (13, 8, 15, 11), (7, 10, 11, 15), (10, 11, 15, 8)]\"\n\"[ 2.47091171 -2.16592912 -1.55203045 19.21872189 3.03378882 40.91566903\n -0.76692984 2.88754325 2.00999591 -0.72092748 2.63960235 -2.23070631\n -0.23557508 1.35437104 -1.82058927 2.74820958 -0.35160415 0.24531136\n -0.54376189 -1.51921865 -1.68390476 -1.79963363 0.39260746 1.31359087\n 1.49363036 1.85919265 -0.97698461 1.06987181 -2.44144359 2.2168364\n 1.51609953 -2.83138189 -2.23885734 0.39671736 2.00597071 -1.88058803\n -0.50308068 1.20067592 -1.16179237 0.17492546 0.80569139 2.49954123\n 1.43652797 3.03257421 -0.57098636 2.08795088 -0.38021157 -0.63679585\n 1.73271143 -0.73919958 -2.16782802]\",[-78.96320788],78213,500,Maximum number of iterations has been exceeded.,False,1127,7.515882299933012,2w2u,59.03841310841741,4.460000038146973,91,45,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 11, 12), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 20, 21), (12, 15, 16, 17), (15, 16, 17, 18), (13, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 28, 29), (21, 24, 25, 26), (22, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (37, 36, 30, 29), (29, 32, 33, 34), (36, 37, 38, 39), (37, 38, 43, 44), (38, 43, 44, 45), (43, 44, 45, 46), (43, 44, 47, 48), (44, 45, 52, 53), (44, 47, 48, 49), (47, 48, 49, 50), (45, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (61, 60, 54, 53), (53, 56, 57, 58), (60, 61, 62, 63), (61, 62, 67, 68), (62, 67, 68, 69), (67, 68, 69, 70), (72, 71, 68, 67), (78, 77, 69, 68), (73, 72, 71, 68), (77, 78, 79, 80), (85, 84, 79, 78), (84, 85, 86, 87)]\"\n\"[ 2.00422375e-01 1.82876310e+00 3.09352509e-01 1.88722864e+01\n -1.03658981e+01 3.90639378e+01 -5.95207557e-01 -4.56939577e-01\n -1.04661808e+00 -1.24114669e+00 2.07963428e+00 1.25865448e+00\n -9.31747042e-01 1.69176776e+00 2.35913947e+00 -2.12800795e+00\n 5.12134319e-01 -2.09342998e+00 7.55075738e-01 1.60659025e+00\n -4.39373911e-02 4.00388798e-03 -4.97239648e-01 -1.29092965e+00\n -1.27596440e+00 -1.07407670e+00 8.94300385e-01 9.02321454e-01\n -1.88769875e+00 8.10125981e-01 3.05363633e-01 8.15748960e-01\n 1.76706881e+00 -4.92625725e-01 -7.08869659e-01 -1.05756756e+00]\",[-69.41721884],92178,500,Maximum number of iterations has been exceeded.,False,562,4.017532702263919,4wrq,62.972746226602354,5.340000152587891,52,30,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (7, 8, 11, 12), (8, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 14, 17), (13, 14, 17, 18), (12, 15, 21, 22), (15, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 29, 30), (22, 25, 26, 27), (23, 29, 30, 31), (29, 30, 31, 32), (29, 30, 33, 34), (30, 31, 35, 36), (31, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 43, 44), (36, 39, 40, 41), (37, 43, 44, 45), (43, 44, 45, 46), (43, 44, 47, 48), (44, 47, 48, 49)]\"\n\"[ 0.34020845 -0.21726288 2.28465439 23.426889 16.19430249 -9.37039231\n -0.56201405 -2.56821575 0.60837285 -0.14314225 0.49561191 0.41415959\n -0.58374418 0.36288108 -0.14725697 1.24140699 -0.56061762 0.21127997\n 1.15643645 -0.79064316 -0.23908298 1.72838589 -0.53424272 0.79110714\n -1.08005506 0.92650998 -0.65811791]\",-51.496917746928375,81750,500,Maximum number of iterations has been exceeded.,False,446,3.7959116830024002,4azp,35.127920222027385,5.900000095367432,25,21,\"[(1, 0, 2, 3), (1, 0, 24, 22), (0, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (23, 21, 22, 24), (21, 22, 24, 0)]\"\n\"[ 9.70617369e-01 -1.79240329e+00 8.99413218e-01 2.88199942e+01\n 4.51732213e+00 5.98001908e+01 3.73175169e-01 3.18866475e-02\n 4.09998724e-01]\",-67.46175835958412,16275,104,Optimization terminated successfully.,True,303,1.1788811503526853,3dg8,45.77421212120578,4.699999809265137,17,3,\"[(1, 0, 6, 7), (1, 2, 8, 9), (3, 4, 10, 11)]\"\n\"[ -2.39108257 1.41676419 2.47447697 34.34365224 23.83601388\n -37.31464361 2.87868046 1.72861806 -1.44568594 -0.12908355\n -2.59606493 -3.01585075]\",-62.38503863742313,44109,280,Optimization terminated successfully.,True,334,1.2590052906615028,4mq2,52.17897892651685,7.010000228881836,27,6,\"[(0, 1, 14, 2), (9, 6, 20, 18), (7, 23, 10, 24), (23, 10, 25, 26), (4, 17, 18, 19), (6, 20, 18, 17)]\"\n\"[ 0.53685994 2.55563417 -0.73806691 172.22894377 15.82799917\n 83.38866806 -1.79662465 -2.81485684 1.30562348 -1.95562629\n 2.027792 2.97255927]\",[-91.52704871],25831,157,Optimization terminated successfully.,True,287,1.3739297611024979,4zx9,68.03864179452157,7.389999866485596,19,6,\"[(8, 0, 1, 2), (1, 0, 8, 9), (14, 13, 0, 1), (0, 1, 2, 3), (1, 2, 4, 5), (0, 8, 10, 11)]\"\n\"[ 2.34937288 2.22158919 -2.26065703 -17.36028221 -31.42435901\n 9.17345712 -0.91264707 -0.84111244 -1.36414995 -0.04262166]\",[-96.22211517],20065,128,Optimization terminated successfully.,True,299,1.352449920227952,4ciy,136.6198062264133,4.570000171661377,21,4,\"[(0, 5, 6, 7), (5, 6, 7, 8), (10, 9, 7, 6), (10, 11, 12, 13)]\"\n\"[ -2.43426335 2.91953441 2.36768882 26.55049934 -46.53570362\n 148.59375984]\",[-36.83157329],13097,83,Optimization terminated successfully.,True,105,1.0262212816646106,4tz8,11.464660982574749,3.299999952316284,14,0,[]\n\"[ -0.88256471 2.09576086 1.66981594 1.72844252 -19.50575881\n -22.75374984 0.07289718 -2.93598082 2.27161449]\",[-106.91727009],10905,64,Optimization terminated successfully.,True,219,0.1544871397282769,4bi7,93.97042434271216,4.579999923706055,9,3,\"[(2, 0, 1, 5), (0, 1, 5, 6), (1, 5, 6, 7)]\"\n\"[ 1.87353601e+00 -8.13938390e-01 -2.58402190e+00 2.98613350e+01\n 1.61449033e+01 1.43375611e+01 2.88410879e-02 -2.94461220e+00\n -2.33993914e+00 -6.29745266e-01 8.45054598e-01 -2.96670658e+00\n -2.47798959e+00]\",[-131.19598724],13900,82,Optimization terminated successfully.,True,343,1.2386539428065084,2w8w,107.59301544894464,2.119999885559082,22,7,\"[(13, 0, 1, 2), (0, 1, 2, 3), (0, 1, 4, 5), (10, 12, 13, 0), (12, 14, 16, 17), (14, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[-4.82191720e-01 1.10180504e+00 2.63111561e+00 2.17861703e+02\n -7.83000924e+00 2.34609231e+01 -2.33230039e+00 -4.45242292e-03]\",-223.2748276643875,14781,95,Optimization terminated successfully.,True,296,0.3798705539288598,5am6,201.62905943183807,6.730000019073486,29,2,\"[(2, 17, 5, 9), (11, 10, 6, 7)]\"\n\"[-1.46384683 2.11656758 -3.04674633 42.39846362 30.27711811 16.51907271\n 2.82976192 -0.60571891 -3.07264384 -1.04534851 0.239179 -2.817011\n 0.08398477 -1.98482057 -0.77040235]\",[-86.29097257],51624,331,Optimization terminated successfully.,True,406,2.102556399060144,2fzk,46.78859030088109,3.5999999046325684,25,9,\"[(0, 1, 4, 5), (1, 4, 5, 6), (8, 7, 5, 4), (9, 8, 7, 5), (10, 11, 12, 13), (9, 16, 17, 18), (16, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22)]\"\n\"[-1.3411741 -0.74003602 -2.40424263 23.94915927 34.525071 17.2574832\n 2.02016259 0.85030497 -1.27821213 2.95175348 2.40997154 -2.32926281]\",-55.01751725535111,78429,500,Maximum number of iterations has been exceeded.,False,366,2.368359285786189,4p6e,53.01773927556041,5.889999866485596,29,6,\"[(0, 15, 6, 26), (11, 26, 6, 15), (8, 11, 26, 6), (3, 17, 25, 18), (20, 23, 18, 25), (17, 25, 18, 23)]\"\n\"[ 1.98615631 -1.26656083 -1.90789055 21.09922424 25.79314071 8.12861908\n 0.89446943 2.86764938 0.8892346 -0.12123297 -1.63691299 -2.15608489\n -0.35899143 3.07927611 0.05527184 1.22660075 -2.82277063 1.79250392\n -0.17433576 -1.21445998 -2.3531855 -2.2173524 -0.20170596 0.63445097\n -1.86044912 -1.33022271 1.4922395 2.90389202 0.3261131 1.42242479\n -1.0896465 -2.02920904 0.39039721 2.84263971 0.21576364 2.08229934\n -2.02956803 0.17483754 -1.11934226 -2.21430602 -1.63779087 -0.61871852\n 2.79714972 -1.51767019 1.21426247 0.79301425 -1.19722429 -3.02215259\n 1.01863534 -2.0174203 2.5954535 ]\",-122.27158942997595,77745,500,Maximum number of iterations has been exceeded.,False,1016,6.604317567935587,5ygf,93.92270753525199,6.210000038146973,77,45,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 17, 18), (9, 12, 13, 14), (12, 13, 14, 15), (10, 17, 18, 19), (17, 18, 19, 20), (18, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 32, 33), (22, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (23, 32, 33, 34), (32, 33, 34, 35), (33, 34, 36, 37), (34, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 47, 48), (37, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 44), (38, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 58, 59), (48, 51, 52, 53), (51, 52, 53, 54), (52, 53, 54, 55), (49, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (70, 69, 60, 59), (59, 62, 63, 64), (62, 63, 64, 65), (63, 64, 65, 66), (69, 70, 71, 72)]\"\n\"[ 1.69989567 1.68224529 1.10892909 22.14057155 46.84626336 52.80630297\n -0.62351254 -2.93727128 1.05923755 1.62954271 0.55976489 -1.49686905\n -0.39600676 0.50336962 0.13771715 -0.42699327 2.11954946 0.68793323\n 2.6381982 0.19600312 1.74390168 2.8253492 ]\",[-123.69241036],79615,500,Maximum number of iterations has been exceeded.,False,478,2.093934933470312,3d7h,177.88369723209868,10.220000267028809,31,16,\"[(3, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (13, 14, 18, 19), (14, 18, 19, 20), (18, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (21, 22, 26, 27), (22, 26, 27, 28), (26, 27, 28, 29)]\"\n\"[-1.04398877 1.35866406 2.18937185 31.39786309 14.40773618 26.78558713\n -1.71617303 -0.63958713 -2.63574752 -1.71516419 -0.20986545 0.34787874\n 0.68540834 -0.51499379 1.02204574 1.07734667 2.43453963]\",[-102.46794857],77859,500,Maximum number of iterations has been exceeded.,False,483,4.233686745951757,1dwd,143.33248121237764,8.180000305175781,37,11,\"[(1, 0, 8, 7), (19, 6, 7, 8), (7, 6, 19, 18), (0, 8, 7, 6), (11, 10, 7, 6), (12, 11, 10, 7), (14, 16, 34, 35), (21, 17, 18, 19), (18, 17, 21, 22), (17, 18, 19, 6), (24, 25, 21, 17)]\"\n\"[ -0.68158503 1.07406855 -1.0553616 -1.63761498 -14.81873961\n 16.0503661 ]\",-49.85938964686039,9597,62,Optimization terminated successfully.,True,137,0.3575702984012463,3rxg,40.4401879919406,2.1500000953674316,8,0,[]\n\"[-0.96680777 -3.02354303 -1.6258848 24.63755549 29.08413056 19.97451658\n 2.46338067 2.80254081 0.52118729 0.40725112]\",[-69.38316694],40762,264,Optimization terminated successfully.,True,505,2.6765524025568688,4rn2,55.7079341207754,5.820000171661377,33,4,\"[(31, 0, 1, 2), (0, 1, 2, 3), (22, 4, 3, 2), (5, 6, 7, 8)]\"\n\"[ 1.053823 1.62496073 2.70389747 50.12858179 16.34204401 34.41034866\n -2.25606778 0.87570063 1.25815671 0.92407167 -0.05043508 1.80867914\n 0.86263826 -2.07818412 0.20763924 -2.4943949 1.97231253]\",[-109.39658525],69642,441,Optimization terminated successfully.,True,440,3.4568127842664755,4zz2,94.2966364529338,8.039999961853027,31,11,\"[(6, 4, 28, 29), (11, 12, 16, 17), (11, 15, 30, 29), (12, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (18, 19, 25, 26), (19, 20, 21, 22), (20, 21, 22, 23), (4, 28, 29, 30), (15, 30, 29, 28)]\"\n\"[-2.57381454e+00 -2.25406620e+00 1.21690196e-01 4.22454272e+00\n -1.05363246e+01 3.96670296e+01 -3.34350165e-01 8.21723551e-01\n 1.16022683e-02 1.37673312e+00 4.23375171e-01]\",[-63.60284065],25572,161,Optimization terminated successfully.,True,396,3.196269966047968,1x6u,19.92824885648913,3.2200000286102295,20,5,\"[(4, 3, 0, 1), (7, 9, 11, 12), (9, 11, 13, 17), (11, 13, 17, 14), (15, 14, 17, 13)]\"\n\"[-3.38990321e-02 1.85175912e+00 2.94012861e+00 4.36856013e+01\n -2.05196871e+00 2.96957493e+01 2.88881778e+00 3.03109192e+00]\",[-224.52125648],12899,78,Optimization terminated successfully.,True,273,0.19916388998945367,1o3i,215.8023501318284,7.300000190734863,21,2,\"[(1, 0, 6, 7), (13, 12, 11, 9)]\"\n\"[-1.86822819 0.44293451 -1.74959475 6.07381515 14.74015415 15.91313569\n -1.48347519 1.59777492 -2.50901896 -1.38740304 -1.4438166 ]\",[-124.29230531],40170,254,Optimization terminated successfully.,True,488,1.1856256350626657,3c6u,120.82612479525895,8.869999885559082,28,5,\"[(7, 12, 0, 1), (3, 4, 14, 15), (0, 12, 7, 6), (16, 15, 14, 4), (17, 16, 15, 14)]\"\n\"[-9.59157625e-01 3.17957376e-01 1.17903064e+00 -8.55481189e+00\n 7.05734899e+01 8.02657513e+01 -9.77174662e-01 2.86887652e+00\n 1.18929581e+00 6.42583562e-01 -7.95210867e-01 1.42893312e+00\n 7.25670976e-02 1.55578319e+00 2.22580129e+00 1.03829632e-01\n 2.81436901e+00 -2.61281560e-01 -1.95747308e+00 2.68770610e-01\n -2.02110946e-01 2.86100854e-01 -3.14868779e-01]\",[-189.41042322],83349,500,Maximum number of iterations has been exceeded.,False,1012,6.246559095761482,2xaf,344.9692811431207,4.639999866485596,64,17,\"[(1, 0, 3, 4), (1, 0, 52, 49), (5, 4, 3, 0), (6, 5, 4, 3), (13, 12, 11, 6), (28, 29, 53, 54), (37, 38, 40, 41), (38, 40, 41, 42), (40, 41, 43, 44), (41, 43, 45, 46), (43, 45, 47, 48), (45, 47, 48, 49), (47, 48, 49, 50), (48, 49, 52, 0), (29, 53, 55, 56), (57, 56, 55, 53), (58, 57, 56, 55)]\"\n\"[ -2.08792159 -2.5271591 1.20320984 28.22140156 -56.25592375\n 17.37554504 -1.09998028 -1.11009293 1.63804134 -1.00116436\n -0.24579014 -0.14653776 -0.59525414 0.07378968 -1.85105997\n -2.39622795 0.13977148 0.77215324 1.73484172 -2.1682607\n -0.25025708 -1.60731782 -1.22726802 -0.66878643]\",[-96.60208192],87943,500,Maximum number of iterations has been exceeded.,False,476,4.4885290807947165,4fgt,48.76846017146485,5.409999847412109,36,18,\"[(0, 1, 4, 5), (0, 1, 2, 3), (1, 2, 6, 7), (2, 6, 7, 10), (6, 7, 10, 11), (6, 7, 8, 9), (7, 8, 15, 16), (7, 10, 11, 12), (10, 11, 12, 14), (8, 15, 16, 19), (15, 16, 19, 20), (15, 16, 17, 18), (16, 17, 23, 24), (16, 19, 20, 21), (17, 23, 24, 27), (28, 27, 24, 23), (23, 24, 25, 26), (29, 28, 27, 24)]\"\n\"[ -2.79862621 0.06320985 -0.03597028 -14.68532216 16.27079671\n 8.7577304 -0.5762757 -2.38180159 0.95109913 1.74576135\n 2.95958077 1.96777717 -1.59820452]\",[-99.89431076],25966,158,Optimization terminated successfully.,True,270,1.550643097922876,6eku,86.38535288606573,4.28000020980835,23,7,\"[(4, 3, 0, 1), (4, 5, 19, 20), (5, 6, 7, 8), (6, 7, 8, 9), (6, 11, 13, 14), (11, 13, 15, 16), (13, 15, 17, 18)]\"\n\"[-0.62066013 -1.04599145 2.36952463 2.68825601 19.32957461 18.465972\n 2.2993033 -1.75416478 -2.0132236 -2.7904281 -0.94999299 -2.62343415]\",[-94.90591208],51636,319,Optimization terminated successfully.,True,442,1.9076222179671514,4qt2,87.21648240082766,6.320000171661377,65,6,\"[(20, 21, 22, 62), (32, 34, 35, 63), (1, 44, 45, 46), (47, 46, 45, 44), (48, 47, 46, 45), (48, 49, 50, 64)]\"\n\"[ 1.67897747e+00 2.53180107e+00 6.90749499e-01 2.60848806e+00\n 1.64611249e+01 2.45248840e+01 -1.23417679e+00 1.27335292e+00\n 2.08308803e+00 2.42972188e+00 -3.00546866e+00 -1.61684192e-02\n -1.04103738e-01 -2.20122924e-01 -9.84709651e-01 -6.60356942e-01\n 9.17672769e-01 4.69527948e-01 2.99765213e-02 2.64542933e+00\n 1.61409396e-02 -8.51170342e-01]\",[-56.8465728],77982,500,Maximum number of iterations has been exceeded.,False,373,2.7928988589109816,2ddf,94.19032810005835,7.389999866485596,29,16,\"[(6, 0, 4, 17), (4, 0, 6, 7), (26, 3, 24, 11), (24, 3, 26, 27), (0, 4, 17, 16), (0, 6, 7, 8), (0, 6, 10, 2), (2, 10, 23, 11), (12, 11, 23, 10), (12, 11, 24, 3), (5, 13, 14, 15), (13, 14, 16, 17), (14, 16, 17, 4), (4, 17, 18, 19), (17, 18, 19, 1), (3, 26, 27, 28)]\"\n\"[ -1.15514338 -0.29479451 -2.71727089 -104.9039961 44.78436996\n 30.10307181 2.54141753 0.25256316 2.33666909]\",[-42.53210519],17184,107,Optimization terminated successfully.,True,254,1.5544278981222788,5mgm,24.730563163190617,3.299999952316284,16,3,\"[(9, 13, 2, 14), (8, 7, 5, 4), (2, 13, 9, 8)]\"\n\"[-0.4175833 1.12072465 1.22862086 7.21117344 13.38331073 65.99610271\n -3.13506457 -0.96548099 -0.56134958 0.99406418 0.53395547 3.07450421]\",[-54.05002173],29887,183,Optimization terminated successfully.,True,211,1.4744331303289344,4jkw,18.610829199887814,4.159999847412109,14,6,\"[(2, 0, 1, 6), (1, 0, 2, 3), (0, 1, 6, 7), (0, 2, 3, 4), (1, 6, 9, 10), (6, 9, 10, 11)]\"\n\"[-1.55065748e+00 4.96561507e-01 -1.07283639e+00 1.30906668e+01\n 1.53116355e+01 3.41113432e+01 -1.69767866e+00 1.93022924e+00\n -2.81709793e+00 -5.24419558e-03 -5.63601774e-01 -5.16826896e-01\n -2.27279001e-01 1.07412381e-01 1.28379818e+00]\",[-62.26074074],54892,353,Optimization terminated successfully.,True,376,3.0481174286802912,5bqh,44.41238497451894,8.520000457763672,31,9,\"[(3, 8, 7, 6), (13, 12, 10, 9), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 0), (0, 18, 19, 20), (12, 23, 24, 25), (27, 26, 24, 23), (4, 27, 26, 24)]\"\n\"[ 1.31195957e+00 -1.25967793e+00 -5.61696180e-01 1.64927368e+01\n 3.64774355e+01 7.82711214e+01 -2.53922699e-02 1.03289456e+00\n -8.22411212e-01 2.60197860e+00 -2.13071722e-01 2.10311359e+00]\",[-171.25258147],47684,300,Optimization terminated successfully.,True,529,4.809122500778723,2rgp,176.82689046562461,7.519999980926514,33,6,\"[(2, 19, 4, 23), (7, 23, 4, 19), (27, 25, 10, 9), (12, 13, 14, 30), (13, 27, 25, 10), (16, 31, 30, 14)]\"\n\"[ 1.61714386 1.99784914 -0.86068541 40.60397794 -0.80968025 13.0917012\n -2.62690155 -0.26870777 -1.85937499 1.68838075 0.35699684 -0.05459735\n -2.37170421 -1.24592161]\",[-123.42091356],78234,500,Maximum number of iterations has been exceeded.,False,399,2.624873676081958,4qms,157.46551301352343,5.130000114440918,33,8,\"[(0, 1, 2, 21), (22, 21, 2, 1), (30, 3, 15, 16), (18, 17, 8, 9), (13, 29, 10, 9), (3, 15, 16, 32), (19, 18, 17, 8), (6, 22, 21, 2)]\"\n\"[ -1.16993492 2.88073403 -1.42849464 92.08444628 95.95512853\n -42.16649207 -1.13842828 -0.76783423 2.36446895]\",-78.45954301822164,21171,136,Optimization terminated successfully.,True,241,1.562421049785887,5o1a,56.859480064512724,4.519999980926514,23,3,\"[(3, 2, 0, 5), (9, 13, 14, 15), (4, 16, 14, 13)]\"\n\"[-0.58843191 0.54366924 2.23413645 21.93967104 30.69023956 78.2756638\n 0.74716547 -1.93787258 1.88690477 1.02319963 0.12668253 0.11912516]\",[-69.23450024],44850,282,Optimization terminated successfully.,True,409,3.1841262802529573,3oe6,44.50721110937825,8.09000015258789,27,6,\"[(12, 13, 5, 14), (13, 5, 14, 7), (16, 15, 7, 14), (21, 9, 14, 5), (22, 21, 9, 14), (4, 12, 13, 5)]\"\n\"[ 1.78734064 1.12150074 2.17420308 95.24434119 7.05808993 54.81665478\n 2.00957159 1.51977482 -0.40122657 -0.34190097 -0.57998599 -2.07267376\n 1.89711691 -0.64606956]\",[-113.35496157],28863,176,Optimization terminated successfully.,True,474,1.445423267985668,3br9,99.99079542000932,7.210000038146973,36,8,\"[(4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 9, 10), (19, 18, 14, 13), (21, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (32, 31, 30, 19)]\"\n\"[ -1.69621519 -0.63228374 -1.71674465 32.53730774 7.88509926\n -18.02370297 0.10399769 -0.11118089 1.53353945 0.310745 ]\",[-128.99548088],20340,128,Optimization terminated successfully.,True,359,0.45306906437188876,2ydv,114.76082863967082,7.860000133514404,22,4,\"[(1, 0, 2, 3), (6, 5, 0, 1), (0, 2, 3, 4), (13, 12, 11, 6)]\"\n\"[-1.35952804 -2.71570182 -0.13879651 13.65059231 11.67006798 26.51580106\n -0.33467837 1.89356589 -2.04199924 -0.84220375 -1.23130132 -0.9298444\n -1.99849432 -1.95524027 0.72355055 0.57543924 -1.67991366 0.59376468\n 0.87785018 2.28886279]\",[-136.94502133],64513,390,Optimization terminated successfully.,True,429,2.5172246356778154,3m6p,119.96567098213607,8.350000381469727,27,14,\"[(5, 0, 1, 2), (1, 0, 5, 6), (0, 1, 3, 4), (0, 5, 6, 7), (0, 5, 8, 9), (5, 6, 13, 14), (5, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (6, 13, 14, 15), (13, 14, 15, 16), (13, 14, 18, 19), (21, 20, 18, 14), (20, 21, 25, 26)]\"\n\"[ 2.04036112 -2.99092314 0.0644258 29.4844604 14.14393544\n -20.85688649 0.35819492 2.56594539 -1.3818633 -2.40084881\n -2.49562423 2.72949006 0.32349476 2.26016253]\",[-146.8194614],17460,104,Optimization terminated successfully.,True,281,0.9201855743932619,3ti3,135.37316730094997,8.739999771118164,24,8,\"[(1, 0, 6, 7), (1, 2, 16, 17), (2, 3, 23, 20), (3, 4, 9, 10), (4, 9, 10, 11), (4, 9, 13, 14), (9, 10, 11, 12), (3, 23, 20, 21)]\"\n\"[ 5.04432920e-01 -2.78425707e-01 -2.96972170e+00 1.08127592e+01\n -2.69720995e+01 4.95323539e+01 -2.23466954e+00 -1.91452660e+00\n -9.39697624e-01 -9.73708069e-01 3.02328847e+00 1.59494686e+00\n 3.94769057e-02]\",[-162.60232095],15642,92,Optimization terminated successfully.,True,299,1.2574084571400852,3tic,146.56501694588894,8.869999885559082,23,7,\"[(4, 3, 0, 1), (4, 5, 19, 20), (5, 6, 7, 8), (6, 7, 8, 9), (6, 11, 13, 14), (11, 13, 15, 16), (13, 15, 17, 18)]\"\n\"[ 3.13611642 0.09401582 3.13530693 21.18833095 31.10424795 56.77095339\n -0.40327845 0.5222206 1.78751257 1.15880983]\",[-223.41923128],20728,130,Optimization terminated successfully.,True,419,0.7076575858155543,4xmo,210.86279802563183,8.699999809265137,31,4,\"[(7, 6, 5, 2), (11, 15, 16, 17), (20, 19, 16, 15), (22, 23, 24, 25)]\"\n\"[ 1.06773065 1.02935139 1.76371409 -6.95497734 -20.4942813\n 13.03218696 0.05544468 1.234714 -3.05787235 0.76250943\n 0.89809713 -2.3459614 -1.59881438 -0.48804778 -1.33145737\n -0.47320204 -2.47911513 -2.22095378 -1.07260755 -0.46649249\n 1.77806942 -0.8794771 -1.20973651 1.90541392 1.00956828\n 2.21129468 -1.42726684 1.726348 -1.90617638 -0.34866518\n 0.73858655 -1.24617827 2.1931033 -0.43520665 -0.93250866\n -0.97186482 -2.59812463 -0.97859173 -1.28463651 0.20436534\n 1.78933439 -0.75134321 2.53209754 1.04646116 1.64445964\n -2.02066955 0.77596881 1.04803944 1.42069178 2.36120507\n 0.16386534 0.64584107 -1.0905372 1.65863012 -2.16802041\n 1.88139803 -1.23305664 -1.3249334 0.25094553 1.61656866\n 0.09969716 1.64724554 -0.76851878 0.81344711 3.13141258\n -2.30745928 0.25050614 0.89776151 -0.84457854]\",[-93.65734318],114347,500,Maximum number of iterations has been exceeded.,False,1572,6.798849338112127,2pv2,145.09817342856596,5.909999847412109,116,63,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (13, 12, 9, 8), (9, 10, 19, 20), (14, 13, 12, 9), (10, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 26, 27), (21, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 34, 35), (27, 30, 31, 32), (28, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 43, 44), (35, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (36, 43, 44, 45), (43, 44, 45, 46), (48, 47, 44, 43), (44, 45, 54, 55), (49, 48, 47, 44), (45, 54, 55, 56), (54, 55, 56, 57), (59, 58, 55, 54), (55, 56, 68, 69), (60, 59, 58, 55), (56, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 70, 76, 77), (69, 72, 73, 74), (70, 76, 77, 78), (76, 77, 78, 79), (76, 77, 80, 81), (77, 78, 84, 85), (77, 80, 81, 83), (78, 84, 85, 86), (84, 85, 86, 87), (89, 88, 85, 84), (85, 86, 95, 96), (90, 89, 88, 85), (86, 95, 96, 97), (95, 96, 97, 98), (95, 96, 99, 100), (96, 97, 106, 107), (96, 99, 100, 101), (99, 100, 101, 102), (100, 101, 102, 103), (97, 106, 107, 108), (106, 107, 108, 109), (106, 107, 110, 111), (107, 110, 111, 112), (110, 111, 112, 113), (111, 112, 113, 114)]\"\n\"[ 0.0567856 1.74803277 -1.37186749 -12.22912655 16.37229852\n 2.48803727 2.71241689 -0.37582642 3.0390294 2.11877689\n -1.73312806 -0.76903631 2.40045759 1.66410397 -1.07842587\n 2.92250097 -0.13688371 1.48262051 0.06377186 -2.28015734\n -1.7977734 0.78445041 1.94792206 -0.75667001 1.69166135\n -1.74339137 -0.76442004 0.61027017 0.88577965 0.60480152\n 1.17583646 -1.59416292 -0.4856046 -2.3514254 -2.56846064\n -2.6126717 -0.24454456 -0.61916562 -1.9015389 -0.70117272]\",-87.5707018996078,81021,500,Maximum number of iterations has been exceeded.,False,770,6.160352265045892,4gzf,143.0161584569486,8.359999656677246,59,34,\"[(0, 1, 2, 3), (0, 1, 9, 10), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (1, 9, 11, 12), (9, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 18, 19), (13, 18, 19, 20), (18, 19, 20, 25), (18, 19, 21, 22), (19, 20, 25, 26), (19, 21, 22, 23), (20, 25, 26, 27), (25, 26, 27, 28), (30, 29, 26, 25), (26, 27, 36, 37), (31, 30, 29, 26), (27, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 45, 46), (37, 40, 41, 42), (40, 41, 42, 43), (38, 45, 46, 47), (45, 46, 47, 48), (46, 47, 50, 51), (47, 50, 51, 52), (50, 51, 52, 53), (50, 51, 55, 56), (51, 55, 56, 57), (55, 56, 57, 58)]\"\n\"[-1.50620378e+00 -1.43613701e+00 -4.64717716e-01 -1.65653672e+00\n 6.61539546e+00 1.98821161e+00 -9.87215626e-02 2.43400967e+00\n 7.10809315e-01 5.76936276e-03 9.19274150e-01 -2.19360680e+00\n -9.53737647e-01 -2.60306475e-02 -9.15267013e-02 -4.43527178e-01\n 7.11408955e-01 -6.48848042e-01 2.77331202e+00 -1.17513014e+00\n 2.68518068e-01 5.95009691e-01 -1.46658826e+00 1.39328077e+00]\",[-56.64378475],85968,500,Maximum number of iterations has been exceeded.,False,332,3.8354735095217602,2lbv,34.435966976495465,7.590000152587891,22,18,\"[(20, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[ 3.05962768 1.74613768 1.08416539 22.67750975 -15.64185944\n 22.34873911 -2.15504979 -1.79067519 -1.18010894 0.74556878\n -2.1556804 2.48783118 -0.3665721 0.55707579 -0.08109913\n 1.46893785 0.79397911 0.12992565 -1.33355012]\",[-86.15274337],77952,500,Maximum number of iterations has been exceeded.,False,426,3.9280427535236253,1lhg,86.64678642326396,7.099999904632568,30,13,\"[(25, 0, 1, 2), (0, 1, 2, 3), (0, 1, 21, 5), (1, 2, 3, 4), (2, 3, 4, 22), (7, 6, 5, 21), (6, 5, 21, 1), (23, 10, 12, 11), (6, 23, 10, 12), (19, 11, 12, 10), (18, 19, 11, 12), (10, 12, 24, 13), (14, 13, 24, 12)]\"\n\"[ 0.05668142 -2.8747666 2.36333538 26.42962198 20.19717259 16.11286359\n 1.40643145 2.8748966 ]\",-40.68420161499736,23749,154,Optimization terminated successfully.,True,126,1.3489298991628893,2ha3,22.490692011711143,3.0299999713897705,7,2,\"[(5, 0, 1, 6), (0, 1, 6, 2)]\"\n\"[ 0.91375012 1.79684343 -0.98604884 17.67675954 -8.04606698 35.68686317\n -1.49648438 1.11899827 -2.86092328 2.1008422 2.68798604 -1.50305189\n 1.59815926 0.2659158 2.73826303 -0.96480984 -0.35531186 -2.36629478\n -2.76323101 -0.38430179 -0.4312528 2.00660392 -1.52863454 1.29158398\n 1.99836503 -0.99443066]\",[-114.02767232],87930,500,Maximum number of iterations has been exceeded.,False,606,4.7006729620300165,4gm8,99.68220702219844,9.0,48,20,\"[(0, 1, 3, 4), (1, 3, 8, 5), (7, 5, 6, 9), (6, 5, 7, 12), (6, 5, 8, 3), (6, 5, 10, 11), (5, 6, 13, 14), (6, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (26, 24, 15, 14), (14, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (15, 24, 26, 27), (24, 26, 27, 25), (25, 27, 32, 33), (34, 33, 32, 27), (41, 34, 33, 32), (36, 35, 33, 32)]\"\n\"[ 0.7564616 0.51386916 0.87493001 -18.0699311 57.66375353\n -33.42001385 0.78229456 0.47969167]\",[-84.49508784],9517,58,Optimization terminated successfully.,True,268,1.5588048255194742,4r0a,37.355103679946325,4.260000228881836,17,2,\"[(9, 8, 0, 1), (10, 11, 15, 16)]\"\n\"[ 2.86005562e+00 -1.03162554e+00 1.16989215e+00 2.93199021e+01\n 3.58347983e+01 1.09247566e+01 -1.12005842e-01 3.08730566e+00\n 1.17569417e+00 1.82495510e+00 4.39494643e-01 1.35201323e+00\n -1.21847178e+00 -2.82526142e+00 -2.25102456e-01 2.05128476e-01\n 7.69842521e-01 1.51639462e+00 1.32129719e+00 1.21444346e+00\n 1.88170810e+00 9.62485311e-01 -2.03884803e+00 -1.40646166e+00\n -1.55680366e+00 1.43177658e-01 -2.70031440e+00 3.50408334e-01\n -2.84615422e-01 -5.50323611e-01 6.27181986e-01 6.69524604e-01\n -3.58275845e-01 5.06803720e-01 1.10146011e+00 1.35646965e+00\n -2.79431442e+00 -1.99314479e+00 -9.83316523e-01 -2.39212634e+00\n -1.19229914e-02 -1.80709425e+00 -1.71138052e+00 2.72160522e+00\n -1.57244378e+00 -4.28747436e-02 3.02436992e+00 -1.70900917e+00\n -1.25671715e+00 -2.02942179e+00]\",[-97.55054687],81219,500,Maximum number of iterations has been exceeded.,False,1140,10.181596682431524,2vr3,151.1185226137162,4.980000019073486,70,44,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (5, 6, 9, 10), (6, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 17, 18), (10, 13, 14, 15), (11, 17, 18, 19), (17, 18, 19, 20), (18, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26), (23, 25, 26, 27), (25, 26, 27, 28), (26, 27, 30, 31), (27, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 39, 40), (31, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (32, 39, 40, 41), (39, 40, 41, 42), (39, 40, 43, 44), (40, 41, 48, 49), (40, 43, 44, 45), (43, 44, 45, 46), (41, 48, 49, 50), (48, 49, 50, 51), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (54, 55, 57, 58), (55, 57, 58, 59), (57, 58, 59, 60), (58, 59, 62, 63), (59, 62, 63, 64), (62, 63, 64, 65), (62, 63, 66, 67)]\"\n\"[ 0.99858405 2.35798624 0.2838833 -1.5333734 17.36705815 -1.90327219\n -1.79826037 -2.53694945 -1.31250499 2.76884646 -3.12068506 1.33299498\n -1.46974546 0.27166714 2.63313229]\",[-67.78136715],61756,401,Optimization terminated successfully.,True,303,2.4761025484972197,6gjy,52.67544049642571,3.0,21,9,\"[(0, 1, 2, 3), (0, 1, 9, 10), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 6, 7), (4, 6, 7, 8), (1, 9, 10, 11), (14, 13, 9, 1), (15, 14, 13, 9)]\"\n\"[-0.16135258 0.52856938 2.06198841 26.60064165 3.54704462 20.9762947\n 0.26051516 0.36006583 -0.8207185 -1.77147571 2.05958257 1.25952187\n 1.63680912 1.08858693 -0.24760654 0.9565968 -0.13452903 -1.98572039\n 1.50621639]\",[-56.57848814],77232,500,Maximum number of iterations has been exceeded.,False,922,7.228418898260107,5ntk,66.30353968157928,8.010000228881836,47,13,\"[(9, 10, 13, 14), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 33), (15, 16, 34, 17), (19, 18, 17, 34), (18, 17, 34, 16), (20, 21, 35, 24), (21, 35, 24, 36), (37, 36, 24, 35), (27, 26, 25, 0), (6, 27, 26, 25), (38, 37, 36, 24)]\"\n\"[ 1.89930884 3.06871221 -0.20335042 -32.42442814 -16.427994\n -5.40226172 1.54970071 1.32500403 -2.80593769 0.45601215]\",[-134.33477333],25814,162,Optimization terminated successfully.,True,323,1.0725371848210776,5zag,112.16403921851185,6.96999979019165,26,4,\"[(1, 20, 0, 17), (9, 11, 14, 13), (3, 16, 14, 11), (4, 24, 19, 0)]\"\n\"[ 0.07547648 0.63965931 0.10168494 -15.27694701 -51.28179829\n -15.50264407 -1.71081443 0.22153343 0.28443574 2.96711501]\",[-246.16926296],15251,94,Optimization terminated successfully.,True,402,1.8460040729388745,4l52,241.13690972288916,8.399999618530273,33,4,\"[(4, 3, 1, 0), (10, 9, 6, 5), (15, 14, 11, 10), (25, 24, 22, 21)]\"\n\"[-1.28540055 1.22124598 0.43393733 9.56818116 18.64911916 39.37162685\n 1.38707888 -2.18390934 0.91063062 0.10803156 -1.82271087 -0.24654744\n 1.42161017 1.6443995 0.05325392 -0.53528875]\",[-77.14404143],81435,500,Maximum number of iterations has been exceeded.,False,431,4.616104297441997,5fah,85.5441585944551,6.150000095367432,32,10,\"[(14, 13, 0, 20), (13, 0, 20, 1), (21, 1, 20, 0), (22, 21, 1, 20), (6, 3, 2, 29), (3, 2, 29, 27), (15, 14, 13, 0), (17, 16, 30, 31), (21, 22, 27, 28), (22, 27, 29, 2)]\"\n\"[-0.74919793 -2.69704426 0.0856831 15.20967308 -4.37393992 4.02679928\n 1.31999317 0.51940074 2.84926524 2.70370138 -3.10375294]\",[-230.21687118],18218,112,Optimization terminated successfully.,True,523,0.23437855701874227,5wjj,216.89803501102676,6.619999885559082,34,5,\"[(5, 15, 0, 1), (23, 22, 5, 15), (24, 7, 25, 8), (27, 9, 8, 25), (7, 25, 8, 9)]\"\n\"[ 1.08800772 1.07203119 -1.93388453 35.35695229 61.13083877 48.02379378\n -1.74394112 2.94175254 -0.71091226 0.06980368 0.24687939 1.78362522\n 3.09036486]\",[-52.2853479],33368,205,Optimization terminated successfully.,True,461,2.5902932125400584,3tdc,16.920065088816543,8.270000457763672,36,7,\"[(6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 11, 34), (9, 11, 34, 35), (14, 13, 12, 0), (16, 14, 13, 12), (22, 21, 20, 17)]\"\n\"[ 1.69772482 1.37829377 -1.70679852 -38.63992696 -30.36379704\n 38.95489609 -0.43928663 -2.42220654 -1.40654439 -0.97815762\n -0.97487985 -2.52404757 -0.27577261 -0.4481848 1.57528617\n 1.61182184 0.16657869]\",[-99.03708583],77193,500,Maximum number of iterations has been exceeded.,False,525,4.048346890796956,1ets,96.38113280931303,8.220000267028809,37,11,\"[(5, 4, 0, 1), (1, 0, 13, 14), (0, 13, 14, 15), (13, 14, 15, 16), (14, 15, 20, 17), (20, 17, 18, 19), (18, 17, 20, 15), (22, 21, 17, 18), (32, 31, 18, 17), (23, 22, 21, 17), (25, 27, 28, 29)]\"\n\"[ 8.88922909e-01 8.27758741e-03 -2.49707550e+00 2.57646812e+01\n 5.53504893e+00 3.44912131e+01 -1.86385224e+00 1.53507449e+00\n 2.61357088e-02 1.66061193e+00 -5.94372783e-01 -2.66099677e+00\n 2.45952789e+00 9.68287270e-01 -1.49844149e+00 1.40823870e-01\n 1.22244944e+00 -1.27294960e+00]\",[-147.19166668],83689,500,Maximum number of iterations has been exceeded.,False,524,4.27151434180581,2wf2,215.52952971381953,7.590000152587891,43,12,\"[(6, 0, 1, 2), (8, 7, 0, 1), (0, 1, 2, 3), (1, 2, 3, 5), (13, 4, 2, 1), (2, 3, 5, 19), (14, 13, 4, 2), (3, 5, 19, 21), (22, 21, 19, 5), (23, 22, 21, 19), (23, 24, 28, 29), (11, 32, 37, 38)]\"\n\"[ 1.46179727 -0.96612336 -1.4615242 24.80824963 13.17351121 12.82882794\n -0.22145453 0.17114768 2.26953433]\",-57.52632856035601,18723,120,Optimization terminated successfully.,True,365,1.0517072360422053,3new,45.84184342544205,5.0,24,3,\"[(5, 11, 2, 0), (0, 3, 6, 18), (1, 4, 13, 21)]\"\n\"[-1.99460554 -2.57454074 2.62796826 14.43374965 9.66568627 13.41472781\n 1.39623854 0.19418854 1.68084436 -2.88170796 1.95975781 2.32817943\n -1.20086569]\",-176.98584695216363,36174,229,Optimization terminated successfully.,True,481,2.295079042435337,6eaa,173.24235275787467,6.090000152587891,29,7,\"[(0, 5, 6, 7), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 11), (15, 14, 9, 8), (9, 10, 12, 13), (21, 20, 19, 16)]\"\n\"[-3.34445786e-01 8.94655449e-01 -1.24760973e+00 3.93662928e+01\n 4.19195647e+01 5.99649678e+01 1.23298543e+00 -2.84333916e-01\n 3.75277332e-02 -3.33406986e-01 -1.28632766e+00 3.66394156e-01\n 1.82454527e+00]\",[-69.81961569],28538,177,Optimization terminated successfully.,True,408,2.0820258248505734,2e9d,28.49099769994673,5.889999866485596,30,7,\"[(7, 6, 5, 0), (13, 12, 11, 7), (13, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (19, 20, 25, 26)]\"\n\"[ 2.24198975 -0.94880947 -0.23566697 25.20572822 51.85810191 -2.4578748\n 2.2723037 -0.37572906 0.23969427 -0.90535781 2.75143914 2.95987891]\",[-160.66370015],19045,113,Optimization terminated successfully.,True,343,1.6729096379311261,4uiz,144.86193753861622,4.699999809265137,33,6,\"[(3, 2, 1, 0), (11, 10, 5, 4), (2, 7, 8, 9), (17, 18, 21, 22), (24, 23, 21, 18), (25, 26, 29, 30)]\"\n\"[ 0.10399301 -0.1723833 1.00020555 -25.47842103 4.39283516\n 14.34423911 -0.31813448 -0.04520712 0.59323927 2.31480453\n 1.84531018]\",-50.08778073687733,40138,258,Optimization terminated successfully.,True,318,2.5482687583871164,6cjv,13.969968628537861,5.659999847412109,23,5,\"[(6, 16, 3, 2), (0, 4, 5, 15), (8, 6, 10, 22), (3, 16, 6, 8), (7, 9, 11, 21)]\"\n\"[ 1.2251752 0.45971332 -1.18794663 91.62576208 92.85535965\n -44.3523612 -1.10391127 -1.94241521 -0.75691113]\",[-114.29921702],9108,55,Optimization terminated successfully.,True,324,0.8756846599481596,5o1c,91.94499930314595,3.950000047683716,23,3,\"[(1, 16, 0, 5), (2, 3, 4, 20), (10, 15, 12, 7)]\"\n\"[ 1.98432531 0.48665611 -0.7068718 -20.78645524 2.3340392\n -21.18017767 0.06151624 -0.64689369 -1.84410921 1.40344445\n -1.32117184]\",[-134.70408157],30088,189,Optimization terminated successfully.,True,442,1.6938774139196773,3uvp,121.58252831067335,7.460000038146973,29,5,\"[(27, 18, 21, 1), (13, 27, 18, 21), (10, 23, 19, 24), (9, 24, 19, 23), (6, 25, 21, 1)]\"\n\"[ 0.18750274 -1.76185222 -3.04947304 21.03738571 -21.24642713\n 12.69886987 2.20340033 0.06830646 0.832046 -2.30262226\n -2.13675927 -2.40169676]\",[-209.99280409],68679,430,Optimization terminated successfully.,True,398,2.5630312070822203,4acd,241.47712911566285,8.3100004196167,32,6,\"[(4, 5, 6, 7), (10, 9, 6, 5), (16, 15, 12, 11), (18, 19, 21, 22), (24, 23, 21, 19), (25, 24, 23, 21)]\"\n\"[ 0.27997604 -0.78530901 0.47939939 -11.2079016 11.81059637\n 8.14120896 1.00008654 0.44162548 -2.50730826 -0.78839273\n 0.22586105 1.50254834]\",[-194.58989636],41639,261,Optimization terminated successfully.,True,401,1.1724902048636396,3svv,146.74112016390126,6.940000057220459,26,6,\"[(9, 7, 0, 10), (23, 2, 20, 5), (1, 9, 7, 0), (1, 14, 16, 20), (13, 15, 19, 21), (14, 16, 20, 2)]\"\n\"[ 1.35954736 1.25401729 1.66140733 19.88496526 -4.06813327 56.06278499\n -1.411846 -2.07820124 -0.84829207 -1.4565931 -1.49766443]\",[-133.62636389],33254,208,Optimization terminated successfully.,True,429,1.852136230338147,5hx6,87.50062402843642,8.0,28,5,\"[(11, 10, 0, 3), (8, 9, 20, 21), (12, 11, 10, 0), (12, 13, 21, 20), (13, 21, 20, 9)]\"\n\"[ -0.97826161 1.5492145 -1.5784162 41.10255997 -10.15628354\n -8.28450251 -0.12239407 -0.32300619 -1.55534889 -0.24987667\n -1.11411607 0.62810025 -1.01913101 -0.60875136]\",[-71.11255821],40876,258,Optimization terminated successfully.,True,346,3.0880125076877767,5w12,44.05283529386374,7.28000020980835,23,8,\"[(0, 1, 7, 8), (2, 4, 3, 10), (4, 3, 10, 11), (3, 10, 11, 12), (3, 10, 22, 14), (17, 16, 14, 15), (15, 14, 22, 10), (18, 17, 16, 14)]\"\n\"[-1.84764412e+00 1.00635753e+00 -3.05822692e-02 1.54641225e+01\n 1.76101819e+00 -3.92632969e+01 2.82999952e+00 6.66397532e-01\n 6.08275148e-01 -9.88340758e-01 -5.16579585e-02 -3.03529169e+00\n -3.53009691e-01 -2.74033557e+00 1.03906069e+00]\",[-106.67601477],35772,225,Optimization terminated successfully.,True,387,1.6941324972493905,4oba,92.42610414911782,9.399999618530273,37,9,\"[(8, 7, 6, 0), (8, 9, 10, 11), (9, 10, 11, 12), (18, 17, 16, 14), (19, 18, 17, 16), (16, 17, 21, 22), (17, 21, 22, 23), (21, 22, 25, 26), (31, 30, 29, 7)]\"\n\"[ -0.68626632 0.72826984 -3.02406551 -19.7290765 3.53362385\n -32.58481074 -0.40716623 0.22263277 -2.90388553 1.11437267\n 0.81165822 1.51263261 1.06103299 1.28597556 0.11186762\n 2.48337329 -2.94723328 -2.50247153 -1.48476 -0.48215003]\",[-73.62401284],81861,500,Maximum number of iterations has been exceeded.,False,643,4.974046668273266,4z2j,85.57204068775647,6.429999828338623,51,14,\"[(1, 2, 8, 22), (3, 4, 11, 45), (2, 8, 22, 9), (4, 11, 45, 46), (12, 13, 14, 10), (10, 14, 15, 16), (16, 18, 50, 49), (48, 19, 20, 21), (20, 19, 48, 49), (19, 20, 21, 22), (20, 21, 22, 8), (7, 25, 26, 27), (19, 48, 49, 50), (48, 49, 50, 18)]\"\n\"[-1.14118018 -1.39316472 -0.3070611 57.02540726 -3.55200753 2.35790681\n 0.61825926 -1.66009929 -1.70324357 -1.07979855 3.02198577 2.46987655\n 1.3366338 -2.91247913 -0.75703107 2.69450545 2.86093314 2.08142596\n -0.96740258 0.65967564 -1.79451381 2.77479531 2.25490993 1.5381019\n -2.05849124 1.72639143 1.3537875 -1.41503342 1.38971601 -3.1036148\n 2.75140946 -1.09093413 -0.90509236 2.08014393 -2.49171704 0.74603751\n 0.80389513 -1.50071371 1.0678663 -1.13727724 -1.63346924 -0.59405958\n -2.50439331 -1.4886044 1.93105996 -1.5380292 ]\",[-71.33919955],95004,500,Maximum number of iterations has been exceeded.,False,862,5.721506358197689,3o6m,80.86785336261025,7.480000019073486,81,40,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 9, 16, 17), (8, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (9, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 24, 25), (17, 20, 21, 22), (18, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (34, 33, 26, 25), (25, 28, 29, 30), (28, 29, 30, 31), (33, 34, 35, 36), (34, 35, 40, 41), (35, 40, 41, 42), (40, 41, 42, 43), (45, 44, 41, 40), (41, 42, 54, 55), (46, 45, 44, 41), (42, 54, 55, 56), (54, 55, 56, 57), (54, 55, 58, 59), (55, 56, 63, 64), (55, 58, 59, 60), (58, 59, 60, 61), (59, 60, 61, 62), (56, 63, 64, 65), (63, 64, 65, 66), (68, 67, 64, 63), (74, 73, 65, 64), (69, 68, 67, 64), (73, 74, 75, 76)]\"\n\"[-2.26719336e-01 2.14720538e+00 2.16431179e+00 1.56664469e+01\n 2.98493705e+01 1.77846468e+01 1.28586878e+00 -1.39901222e+00\n 8.83190051e-01 1.14830624e+00 1.88298706e+00 -3.72202900e-01\n -2.71237560e-02 -1.46429081e+00 1.72967957e+00 1.12758218e+00\n -2.45246711e+00 -2.95934001e+00 -2.33855494e+00 -2.81140992e+00\n -2.31426503e+00 -1.70707325e+00 -9.34917438e-01 8.70728633e-01\n 2.30764706e+00 9.92678827e-01 -9.61666472e-01 2.07731262e-01\n -2.30905696e+00 -1.84899549e+00 -1.96746265e+00 -1.17485053e+00\n 1.01036149e+00 1.50370380e+00]\",[-74.78222227],86465,500,Maximum number of iterations has been exceeded.,False,832,7.001324793901755,4nms,88.78422919378916,4.940000057220459,61,28,\"[(0, 1, 2, 3), (5, 4, 1, 0), (15, 14, 2, 1), (6, 5, 4, 1), (14, 15, 16, 17), (15, 16, 21, 22), (16, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 28, 29), (23, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 34, 35), (30, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 52, 53), (35, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (40, 41, 42, 44), (41, 42, 44, 43), (46, 45, 44, 42), (36, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 56, 57, 59)]\"\n\"[ -0.26897173 -2.0145805 0.69292738 64.74765667 -135.74454241\n 41.78478089 -1.12484064 1.73471743 0.57367465 -1.14936465\n -2.73426888 1.5460857 -2.67202599 1.2718143 -1.07551402\n 0.94268072 -0.94896114 -0.55756998 2.11725247 -0.1443292\n -2.12200064 -2.43595336 -1.54383529 -1.43335396 -1.47620694\n -0.49560682 1.46757042 -0.21433421]\",[-91.98501787],86952,500,Maximum number of iterations has been exceeded.,False,699,5.061644535811988,4inr,94.58144329803247,5.590000152587891,46,22,\"[(1, 0, 2, 3), (1, 0, 13, 14), (0, 2, 3, 4), (7, 6, 2, 0), (8, 7, 6, 2), (0, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (14, 15, 21, 22), (14, 17, 18, 19), (15, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 45, 35), (22, 25, 26, 27), (29, 30, 33, 34), (30, 33, 34, 35), (33, 34, 35, 36), (37, 36, 35, 34), (34, 35, 45, 23), (38, 37, 36, 35), (39, 40, 41, 42)]\"\n\"[-2.51641245 -1.95281965 1.92717818 92.79626078 16.4346458 -1.4915941\n 0.34266532 1.62039135 2.84282516 2.45068732 -0.18478243]\",[-70.17167876],27540,167,Optimization terminated successfully.,True,248,1.4436389087686694,2ay9,36.59385176467747,2.1600000858306885,13,5,\"[(1, 0, 6, 7), (0, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11)]\"\n\"[-1.13936985 0.91348264 -2.3812403 7.60817488 7.47688352 20.66376366\n 0.64984636 0.42015363 1.32695963 -1.63929928 -3.0947242 ]\",[-187.78520664],25468,159,Optimization terminated successfully.,True,349,1.822370188930859,1nfw,177.51583939719865,8.960000038146973,28,5,\"[(10, 9, 8, 0), (11, 10, 9, 8), (13, 14, 17, 18), (14, 17, 20, 21), (23, 22, 21, 20)]\"\n\"[ 2.58783037 -2.52030275 1.99902715 -27.82087954 11.88412506\n 28.60793251 -1.89914503 -1.00159015 -2.63212954 -1.63131784\n -2.6735957 ]\",[-89.433196],39996,251,Optimization terminated successfully.,True,369,1.2876603945179668,6mrg,60.35115424209816,7.550000190734863,26,5,\"[(7, 6, 0, 1), (23, 8, 9, 13), (15, 23, 8, 9), (11, 19, 9, 8), (7, 15, 23, 8)]\"\n\"[-2.51004595 0.07393722 -1.9016273 50.60067362 57.21451572 26.86953775\n -2.29251163 -2.49186777 1.87151929 -1.38572317 -3.09331744 0.32585101\n 2.73079925]\",-97.63452564149645,62850,400,Optimization terminated successfully.,True,426,2.048831114587532,5y5n,65.14200058519829,5.760000228881836,25,7,\"[(4, 3, 1, 0), (10, 9, 6, 3), (11, 10, 9, 6), (11, 12, 16, 17), (12, 16, 17, 18), (19, 18, 17, 16), (20, 19, 18, 17)]\"\n\"[ -0.88323421 -2.82593023 0.76721136 -29.10957654 -27.97814177\n -0.70552608 1.12877379 -1.87922189 -2.7209381 2.39456082\n 2.99802724 -0.43153565 -0.07972241 1.00303967 1.3968488\n 1.76455158 2.33794292 0.10679831 1.18483539 0.69909297\n -1.50866304 -1.27649426 -1.55517422 1.30838826 0.60194237\n 1.47849674 0.97024871 2.78557948 -0.61284601 -1.87096552\n -0.04226851 1.6239642 -1.07563189 2.09380709 0.94516255\n 1.07840853 -1.8581975 0.95846421 2.76942404 -2.21035999\n -1.04596056 -1.86567868 -0.84016444 0.98982854 1.75923496\n 0.13134567]\",[-104.04978273],96931,500,Maximum number of iterations has been exceeded.,False,1032,6.19150837348985,4jmh,145.6751049563973,8.680000305175781,86,40,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 10, 11), (6, 5, 4, 1), (2, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 19, 20), (11, 14, 15, 16), (14, 15, 16, 17), (12, 19, 20, 21), (19, 20, 21, 22), (24, 23, 20, 19), (20, 21, 35, 36), (25, 24, 23, 20), (27, 29, 30, 31), (29, 30, 31, 32), (21, 35, 36, 37), (35, 36, 37, 38), (40, 39, 36, 35), (36, 37, 51, 52), (41, 40, 39, 36), (43, 45, 46, 47), (45, 46, 47, 48), (37, 51, 52, 53), (51, 52, 53, 54), (51, 52, 55, 56), (52, 53, 59, 60), (52, 55, 56, 57), (53, 59, 60, 61), (59, 60, 61, 62), (59, 60, 63, 64), (60, 61, 67, 68), (60, 63, 64, 65), (61, 67, 68, 69), (67, 68, 69, 70), (72, 71, 68, 67), (79, 78, 69, 68), (73, 72, 71, 68), (78, 79, 80, 81)]\"\n\"[ 1.99724209 2.27744331 0.17020662 47.73438406 25.85307575 52.81446467\n 0.49635139 0.1004835 0.16279672 -0.37197849 -2.50611206]\",[-49.29242399],32302,204,Optimization terminated successfully.,True,213,2.8127360793292953,2wnl,29.88888184178816,6.0,13,5,\"[(0, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 12), (7, 8, 12, 10), (11, 10, 12, 8)]\"\n\"[ 1.82587125 1.16563348 -2.59138306 84.30849256 1.1052436 17.03350119\n -1.8321055 -0.78729857 0.08781474 -0.15482611 -0.52119693 -0.73920747\n -1.70530605 -2.62854672 -1.95012531]\",[-175.70757863],77022,500,Maximum number of iterations has been exceeded.,False,414,1.9824057344360526,4v05,238.90593682899336,9.699999809265137,34,9,\"[(15, 14, 1, 6), (29, 30, 5, 32), (21, 7, 20, 2), (12, 21, 7, 20), (27, 28, 8, 33), (16, 17, 20, 2), (10, 23, 24, 25), (26, 25, 24, 23), (27, 26, 25, 24)]\"\n\"[ 9.69443650e-01 -2.55591418e+00 -1.96602787e+00 8.98123271e+01\n 1.49349364e+02 8.21040651e+01 -2.69439566e+00 -5.91267407e-01\n 2.37236808e+00 1.91456082e+00 -5.70194977e-01 -1.52281378e+00\n 3.31820797e-01 1.30654254e+00 -3.37265093e-01 7.82126719e-01\n 1.00557867e+00 2.52950619e+00 -3.80039559e-01 8.45621974e-02\n 2.29328763e+00 5.85055300e-01 -1.87625279e+00 -5.87528068e-01\n 1.18924403e+00 -2.37868868e+00 -3.34254458e-01 -2.42404307e+00\n -1.10745104e+00 8.43700809e-01 4.95135832e-01]\",-89.00440800486084,78327,500,Maximum number of iterations has been exceeded.,False,635,4.850629627112265,5cyv,53.76666529880537,4.960000038146973,59,25,\"[(6, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 23, 24), (21, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 28, 29), (26, 28, 30, 31), (28, 30, 33, 34), (30, 33, 34, 35), (33, 34, 35, 36), (34, 35, 38, 39), (35, 38, 39, 40), (38, 39, 42, 43), (44, 43, 42, 39), (45, 44, 43, 42), (44, 46, 47, 48), (46, 47, 48, 49), (0, 55, 54, 45)]\"\n\"[ -0.5356534 -2.0727836 2.89630918 18.24857923 -12.68621151\n 22.23974559 1.46484265 -1.99034039 -2.40222574 2.73182178\n -1.53358188 0.0482416 ]\",[-113.59657387],75192,468,Optimization terminated successfully.,True,574,2.5599896371959616,1c4v,123.30016174006721,10.800000190734863,39,6,\"[(23, 24, 20, 19), (29, 31, 41, 42), (36, 35, 38, 16), (52, 42, 41, 31), (53, 52, 42, 41), (47, 46, 42, 41)]\"\n\"[ 1.77959033 0.51063722 -0.19414275 18.37159786 18.96232945 24.01217322\n 0.78654647 -2.11258016 -0.39068124 1.3538877 0.70185004 -1.43771125\n 1.55916191 -2.33058245 1.39779833 -1.63772777 2.94307829 0.25236261]\",[-152.51730794],82397,500,Maximum number of iterations has been exceeded.,False,615,1.8553404358954901,1o47,117.52950601599076,8.399999618530273,43,12,\"[(1, 0, 13, 14), (2, 3, 6, 7), (3, 6, 9, 10), (0, 13, 14, 15), (13, 14, 15, 16), (13, 14, 18, 19), (22, 16, 15, 14), (23, 22, 16, 15), (14, 18, 19, 20), (29, 28, 24, 23), (32, 29, 28, 24), (38, 37, 34, 33)]\"\n\"[ 0.12814753 2.07126743 2.38976054 16.63230075 10.66416717 14.58653561\n 1.15890308 1.27265205 3.11555182]\",[-69.31424111],26447,168,Optimization terminated successfully.,True,263,1.24652253632724,5akj,48.40925787726365,5.860000133514404,13,3,\"[(6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12)]\"\n[-0.62513616 -2.2632882 -0.46825653 63.5917902 8.02875975 18.94294365],[-56.8193296],9909,61,Optimization terminated successfully.,True,165,5.013494420416038e-06,4ypf,47.98914131111003,2.700000047683716,11,0,[]\n\"[ 1.10020481 -0.76288279 -3.13064167 -7.0847698 63.83833852 61.01285943\n -0.1915112 -3.00621007 0.95394231 -1.79656964 1.17402616]\",[-213.1561792],31902,200,Optimization terminated successfully.,True,325,1.134081310020224,3o0g,226.3790769872256,6.21999979019165,25,5,\"[(6, 5, 4, 3), (7, 6, 5, 4), (12, 13, 23, 22), (19, 18, 17, 8), (9, 19, 18, 17)]\"\n\"[ 0.49208034 -1.62714073 0.45204093 -35.97554294 -25.13352792\n -45.77509946 0.76865791 -2.02402966]\",-12.415578494111458,26637,173,Optimization terminated successfully.,True,89,0.6815082821273094,3umq,8.36575908715368,4.619999885559082,6,2,\"[(0, 1, 2, 3), (1, 2, 3, 4)]\"\n\"[-0.12292676 -0.32655935 -1.46177036 16.93760327 4.3763097 14.44336474\n 0.1069329 ]\",-51.32020366769396,9408,59,Optimization terminated successfully.,True,153,0.9497194811897973,4e3g,44.49037575534269,4.96999979019165,10,1,\"[(4, 3, 0, 1)]\"\n\"[ -0.63789619 -2.69262882 0.93721421 -42.94187338 13.90329644\n -5.70682923 0.70772668 -0.90385018 -1.84272836 1.133805\n 1.10258881 -0.34972004 2.53286189 -0.40382446 -0.65360557\n -1.22051965 0.77251431 -2.6679694 0.44599384]\",[-84.46481441],51152,320,Optimization terminated successfully.,True,339,1.8526929618418164,3nil,77.19074866222508,3.4600000381469727,25,13,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 11, 12), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 19, 20), (12, 15, 16, 17), (13, 19, 20, 21), (19, 20, 21, 22)]\"\n[-0.17156583 3.13693534 1.89706695 12.00203439 31.29191658 76.08265743],-45.10406145252271,16197,106,Optimization terminated successfully.,True,260,8.001776490555966e-06,1xnx,31.148507828977706,6.380000114440918,20,0,[]\n\"[-1.60310576e+00 9.22111283e-03 -1.95495835e+00 3.52268604e+01\n 1.02958387e+01 -1.02439375e+01 2.54215588e+00 1.83618819e+00\n 1.34376221e+00]\",-81.36738225446697,11226,71,Optimization terminated successfully.,True,248,1.4337423703254457,2vvo,72.10385743588202,2.200000047683716,16,3,\"[(3, 4, 5, 11), (4, 5, 11, 12), (5, 11, 12, 13)]\"\n\"[ 0.61455291 2.91179588 1.35338341 -27.75353787 -16.81519813\n 57.71111625 1.21796888 -0.59771042 2.10545575 1.6576796 ]\",[-89.65829259],16044,102,Optimization terminated successfully.,True,336,1.815723041690474,4kij,72.91914556073715,4.300000190734863,21,4,\"[(4, 5, 6, 7), (12, 11, 10, 1), (13, 12, 11, 10), (13, 17, 18, 19)]\"\n\"[-1.11355097 -0.51230785 -0.62547512 29.65669931 -7.83955526 63.03654209\n 1.43233147 0.30059075 2.55411708 -2.82714276]\",[-72.97410246],20083,129,Optimization terminated successfully.,True,337,1.3139584795640364,2wnj,68.85659027686972,6.480000019073486,23,4,\"[(2, 1, 0, 10), (1, 2, 3, 4), (5, 8, 9, 22), (17, 16, 15, 10)]\"\n\"[-1.43685334 -1.6654509 1.19890972 6.73547448 22.89284065 -6.59506742\n -0.58621425 -0.5047236 1.41598015 -0.60920243 1.12589372]\",[-65.61418061],29522,184,Optimization terminated successfully.,True,267,2.183665030325576,1q7a,38.62846847504588,7.190000057220459,24,5,\"[(17, 16, 2, 1), (16, 20, 10, 9), (12, 13, 14, 15), (18, 15, 14, 13), (17, 18, 15, 14)]\"\n\"[ 1.31757223 -1.53203838 2.42110627 -10.00540327 19.71415047\n -24.37069986 2.1309214 -0.04336257 0.97545206]\",[-56.50403867],27668,175,Optimization terminated successfully.,True,220,1.4538246196483915,4ejl,37.70145086071777,5.139999866485596,14,3,\"[(1, 0, 3, 4), (7, 4, 3, 0), (6, 7, 4, 3)]\"\n\"[ -0.32965445 -0.44155412 -2.20973926 12.12723536 -6.51979361\n -18.99759657 2.62058472 1.60645544 2.00262338 -1.12161161]\",[-63.46818185],20113,127,Optimization terminated successfully.,True,371,1.35682326862454,5ya5,59.19678396760272,6.71999979019165,26,4,\"[(3, 2, 1, 0), (9, 8, 7, 4), (10, 9, 8, 7), (18, 17, 16, 13)]\"\n\"[-1.23953188 0.09686584 -0.38948525 -1.60332073 39.05530033 10.20818928\n -1.80128049 2.01019609 -2.21803515 -1.22109615 0.49467579 1.62093454\n 0.44707868 2.01262604 -2.71852262]\",[-77.60038565],76398,500,Maximum number of iterations has been exceeded.,False,311,1.901008578071076,4u5l,55.73193959576892,2.4000000953674316,23,9,\"[(16, 0, 15, 9), (6, 16, 0, 15), (1, 18, 2, 4), (7, 8, 9, 10), (8, 9, 10, 11), (8, 9, 15, 0), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14)]\"\n\"[ 1.34780407 -1.11582439 -2.55922364 26.34926915 225.72669246\n 150.033905 -1.71943388 0.36771544 1.1897219 0.56072942\n -0.27704506 -1.74747376 -2.67616439 0.46972376 2.01728381]\",[-123.77456481],77198,500,Maximum number of iterations has been exceeded.,False,304,2.878282146954085,6f8t,147.37276891363354,5.150000095367432,29,9,\"[(18, 19, 0, 20), (3, 2, 23, 24), (9, 10, 6, 11), (10, 6, 11, 12), (6, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (17, 16, 15, 14), (0, 19, 18, 2)]\"\n\"[ 1.62401855 0.20589542 -1.82867713 63.52472558 115.64194457\n -85.21730144 2.70877072 -0.65878036 -2.89406001 -1.85240499\n 0.81263027]\",[-260.41614833],41416,261,Optimization terminated successfully.,True,378,0.5033057646815531,3rpv,255.16487091708217,7.150000095367432,26,5,\"[(0, 7, 1, 8), (16, 8, 1, 7), (10, 9, 5, 6), (11, 10, 9, 5), (17, 18, 25, 4)]\"\n\"[ 2.95941105 -2.75647452 -2.3064271 23.81060833 -3.12480044 1.96064894\n 0.7587468 2.79524846 -0.73518332 0.48767647]\",[-8.69332118],34446,226,Optimization terminated successfully.,True,121,1.8980989789420906,3lmk,1.1981142968012422,5.940000057220459,10,4,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[-2.89273738 -0.85411719 -0.39691648 10.21727045 9.21623748 25.49730662\n -0.05738689 2.69482229]\",[-52.14079423],8356,49,Optimization terminated successfully.,True,177,1.0818414148959168,4nq6,45.532051248094646,4.28000020980835,13,2,\"[(1, 4, 2, 0), (1, 10, 11, 12)]\"\n\"[-2.24230818 2.00720868 2.15759721 13.30116866 4.86837409 26.29328806\n 1.04916212 2.88238992 -1.45246306 -1.07420038 -1.1373786 -2.44858863\n 0.35247259 0.61735661]\",[-156.15071175],40315,249,Optimization terminated successfully.,True,424,1.67918185801935,3tkm,125.67606684357173,9.0,31,8,\"[(26, 17, 14, 20), (17, 14, 20, 2), (23, 18, 15, 27), (19, 27, 15, 18), (10, 26, 17, 14), (8, 23, 18, 15), (16, 29, 25, 9), (11, 28, 30, 5)]\"\n\"[-6.20597566e-01 -1.96355006e+00 6.50303003e-01 4.59162621e+01\n 2.72675955e+01 6.46570735e+01 7.05093892e-01 -1.25335615e+00\n -2.72444494e+00 -1.21416983e+00 2.86506293e-01 -9.98461887e-01\n -1.16343231e+00 -2.37880710e-02 -6.54894134e-01 6.71250536e-01\n -4.19675131e-01 5.86770904e-01 -1.99816196e+00 3.46255391e-01]\",[-58.42824983],80979,500,Maximum number of iterations has been exceeded.,False,438,3.8292767280947513,4h3c,26.12086010999858,5.71999979019165,25,14,\"[(0, 1, 3, 4), (1, 3, 5, 6), (3, 5, 6, 7), (9, 8, 6, 5), (9, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24)]\"\n\"[ 0.03283717 2.24977126 -3.04544524 1.71316003 -4.44803183 22.55572204\n 0.95211819 -0.73316207 -0.43533226 0.13106943 2.68190288 3.12279819]\",[-183.45428175],27105,165,Optimization terminated successfully.,True,433,3.126895976000437,5oq5,179.05498255673533,7.699999809265137,42,6,\"[(13, 12, 11, 5), (14, 17, 18, 19), (21, 20, 18, 17), (21, 22, 23, 24), (29, 28, 27, 22), (3, 29, 28, 27)]\"\n\"[ -0.16360046 2.04071813 -1.23984056 28.27888635 -16.04618897\n -6.88196799 1.73436826 0.78214245 -1.4087869 2.80153473\n 0.63209651 2.71022334 1.91660479 -1.89813502 0.11330247\n 2.79007361 1.71742235 2.79941407 0.14287786 0.83363711\n -2.88130982 -2.47404 -2.44412667 -2.46116273 -1.62023456\n -0.94377606 -1.42216881 2.17383148 1.05127889 0.41458217\n 1.96315587 0.65000075 -1.3421914 1.49259768 1.23772049\n -0.11694584 -2.84344308 1.42795807 2.01978864 -0.31184257]\",[-61.85074997],85490,500,Maximum number of iterations has been exceeded.,False,809,7.372112387030258,6fav,83.86333998612167,5.329999923706055,77,34,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 14, 15), (4, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (5, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (22, 21, 16, 15), (21, 22, 23, 24), (22, 23, 28, 29), (23, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 31, 34), (30, 31, 34, 35), (29, 32, 38, 39), (32, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (47, 46, 40, 39), (39, 42, 43, 44), (46, 47, 48, 49), (47, 48, 53, 54), (48, 53, 54, 55), (53, 54, 55, 56), (60, 75, 55, 54), (66, 67, 60, 73), (63, 62, 76, 61), (60, 67, 66, 65), (59, 68, 67, 60)]\"\n\"[ 0.32332653 2.02356051 -0.45230141 23.06846551 41.72880019 87.19195033\n 2.91442807 -3.0106673 2.64351942 -1.62835995 2.85684313 1.2526536\n 0.12762188 -1.62030632]\",[-241.56358562],66060,419,Optimization terminated successfully.,True,403,0.9435450550518815,3bym,219.47558150119033,8.220000267028809,35,8,\"[(19, 24, 3, 2), (8, 6, 5, 0), (7, 8, 6, 5), (9, 10, 26, 28), (10, 11, 13, 15), (7, 12, 14, 27), (33, 25, 23, 22), (32, 33, 25, 23)]\"\n\"[ -0.7564599 1.21974466 2.79121856 -14.89620315 -3.68679475\n 6.49264886 -3.08248724 -1.32628658 -1.46564041 1.57181748\n -2.63597823]\",-97.1672383631196,29050,186,Optimization terminated successfully.,True,402,1.937979869818255,2dxs,82.68506742686688,7.340000152587891,33,5,\"[(0, 1, 2, 3), (0, 1, 29, 30), (4, 3, 2, 1), (5, 4, 3, 2), (22, 21, 20, 7)]\"\n\"[ -2.56727153 -1.81559589 2.76500731 -82.44859442 -15.079822\n 7.78556963 0.50498596 0.83363122 -2.91542184 -2.79532527\n -0.22178041 -0.15125906 0.6896016 2.25579605 1.87966789]\",-236.32066183857384,75486,500,Maximum number of iterations has been exceeded.,False,341,3.3799151191368964,5nkg,234.87442499140747,7.679999828338623,34,9,\"[(0, 5, 6, 7), (5, 6, 7, 8), (10, 9, 7, 6), (11, 12, 13, 14), (18, 17, 16, 10), (19, 18, 17, 16), (19, 22, 23, 24), (26, 25, 23, 22), (27, 26, 25, 23)]\"\n\"[ 2.4685685 -2.66794961 2.7748254 -18.4742501 -12.024202\n 1.12808694 -2.3724432 3.01912357 -1.06459422 1.10790896\n -1.03245818 1.00912825]\",[-82.66105673],65104,408,Optimization terminated successfully.,True,346,2.2222422951164322,1i72,50.76884552373619,7.260000228881836,24,6,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (7, 6, 4, 3), (8, 7, 6, 4), (11, 10, 9, 8)]\"\n\"[ -2.17337467 -0.90557893 2.14889135 -52.5862671 -0.55479861\n -25.73016465 0.07084854 -0.05356721 0.25796164]\",[-67.69181338],23078,145,Optimization terminated successfully.,True,219,0.27931818973034084,5afk,57.516122772851986,3.880000114440918,16,3,\"[(3, 2, 1, 0), (12, 11, 1, 0), (4, 3, 2, 1)]\"\n\"[-1.03254305 -1.1728962 0.79677644 25.09084337 18.1430083 9.02162507\n -0.2499569 -0.28952833 -1.28623335 0.235717 -1.00354788]\",[-62.18541975],61392,389,Optimization terminated successfully.,True,294,1.9717173016445566,5eie,51.450132409063436,7.639999866485596,20,5,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (6, 5, 4, 3), (7, 6, 5, 4)]\"\n\"[ 5.13025269e-01 -8.63552453e-01 5.16835355e-01 2.90413385e+01\n 6.09288059e+01 5.31443390e+01 -2.45614766e+00 -2.74131212e+00\n 2.45447838e+00 3.68598484e-01 2.13995508e+00 1.41149211e+00\n -1.50997571e+00 1.09332799e-01 2.41754096e-02 4.72259871e-01\n 2.40609997e+00 1.68983012e+00]\",[-72.33131943],82321,500,Maximum number of iterations has been exceeded.,False,401,3.037151712859471,1a85,92.38150825580269,4.519999980926514,28,12,\"[(0, 2, 4, 9), (2, 4, 9, 10), (2, 4, 5, 6), (4, 5, 6, 8), (4, 9, 13, 14), (9, 13, 14, 15), (17, 14, 15, 16), (15, 14, 17, 18), (14, 15, 24, 25), (14, 17, 18, 19), (26, 25, 24, 15), (29, 26, 25, 24)]\"\n\"[ 1.90075120e+00 1.16721284e+00 -2.28339411e-01 2.04641183e+01\n 4.71307340e+01 2.80605708e+01 2.41111682e-01 1.82712864e+00\n -1.11461178e-01 -2.14509435e+00 1.93204312e-01 -1.03999598e+00\n -6.54440063e-01 -1.46519957e+00 -2.34892556e+00 -1.10851500e+00\n -1.78402182e+00 -9.49307988e-02 -1.31913759e+00 -2.45997760e+00\n 1.42993181e+00 1.01075218e+00 1.56670668e+00 2.00710420e+00\n 2.20172856e+00 -2.25724224e+00 6.06564529e-01 1.35006282e+00\n 1.95077445e-01 -2.82316787e+00 -9.54663680e-01 -3.13965695e-01\n 2.42790004e+00 8.37678974e-01 -2.28793860e+00 -1.55656404e+00\n -1.04306531e+00 2.04565989e+00 -1.00764657e+00 2.18663778e+00\n -1.05765464e+00 -5.91448719e-01 -1.96459275e+00 -2.05752712e+00\n 3.61523251e-01 -3.26881169e-01 -6.84920191e-02 1.70269922e-01\n -2.37082297e+00 4.62503362e-02 -4.42463786e-01]\",-93.69119279294796,77745,500,Maximum number of iterations has been exceeded.,False,1314,7.170762871328929,3wut,76.8997816421707,6.489999771118164,95,45,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (9, 10, 13, 14), (10, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (14, 15, 20, 21), (15, 20, 21, 22), (20, 21, 22, 23), (25, 24, 22, 21), (24, 25, 26, 27), (32, 31, 26, 25), (31, 32, 33, 34), (32, 33, 38, 39), (33, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (39, 40, 44, 45), (40, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49), (45, 46, 52, 53), (45, 48, 49, 50), (46, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 54, 60, 61), (53, 56, 57, 58), (54, 60, 61, 62), (60, 61, 62, 63), (65, 64, 61, 60), (61, 62, 72, 73), (66, 65, 64, 61), (62, 72, 73, 74), (72, 73, 74, 75), (72, 73, 76, 77), (81, 80, 74, 73), (73, 76, 77, 79), (80, 81, 82, 83), (88, 87, 82, 81), (87, 88, 89, 90)]\"\n\"[-5.47281667e-01 6.26201500e-01 -1.97625782e+00 -2.05263055e+01\n 1.03842529e+01 4.02981881e+01 2.04034399e-01 1.58652522e+00\n -2.20908641e+00 -8.22602551e-01 2.26093899e+00 -1.01969005e-02]\",-239.3617072146014,24765,156,Optimization terminated successfully.,True,345,0.42008504317469003,5nho,203.66148027450026,9.520000457763672,29,6,\"[(13, 25, 2, 23), (17, 9, 10, 18), (7, 17, 9, 10), (9, 10, 18, 11), (2, 25, 13, 3), (0, 21, 20, 16)]\"\n\"[ -2.33475891 -0.50025296 -0.38159993 -15.24594803 18.75282225\n -8.95866544 -1.54371789 -1.74018496]\",-137.06163535587206,9765,62,Optimization terminated successfully.,True,202,1.7945920294069229,5lvn,118.76027966939573,4.699999809265137,19,2,\"[(3, 2, 1, 0), (10, 9, 8, 3)]\"\n\"[ 1.40991435e+00 4.52868340e-01 2.41212505e-01 -1.89194522e+00\n 4.77236842e+01 1.01181668e+02 3.50615379e-01 -2.90961739e+00\n -1.55960816e+00 -1.83073172e+00 -1.82004717e+00 2.18849785e+00\n -2.08164328e+00 -2.56709951e+00 -2.58318313e+00 -1.01056851e-01\n 4.19099237e-01 -1.31275817e+00]\",[-94.1778334],82283,500,Maximum number of iterations has been exceeded.,False,763,2.257184814593165,5eel,49.25149035332922,6.079999923706055,78,12,\"[(11, 10, 7, 6), (12, 11, 10, 7), (17, 18, 21, 22), (18, 21, 22, 23), (21, 22, 23, 24), (35, 34, 31, 30), (36, 35, 34, 31), (42, 43, 46, 47), (43, 46, 47, 48), (50, 51, 54, 55), (51, 54, 55, 56), (68, 69, 71, 72)]\"\n\"[ 0.30110503 2.86603204 -0.56535071 -9.09452965 -30.70844601\n 23.85940468 0.30467321 -0.59383438 2.51395078 -2.52054991]\",[-129.44934898],21054,131,Optimization terminated successfully.,True,462,2.8355798531615,2wxl,120.93955997946854,8.34000015258789,30,4,\"[(7, 6, 5, 0), (11, 10, 9, 8), (19, 18, 17, 7), (18, 26, 27, 28)]\"\n\"[ 8.93338868e-01 1.47694700e+00 -2.20581737e+00 2.19508115e+02\n -3.65015220e+00 8.73039437e+01 3.04778253e+00 -3.01129663e+00\n -6.03525865e-01 -1.36874979e+00 9.83321838e-01 3.43795972e-01\n 2.70005005e+00 -3.45981888e-01 1.24809648e+00 -2.87119029e+00\n 3.80973583e-01 -2.10811861e+00 -4.88211788e-01 1.14869542e+00\n 2.15063215e-01 1.63540030e+00 -2.47750772e-01 1.53848721e+00\n -4.33096996e-01 -1.53478557e+00 1.24959987e+00 1.03147116e-01\n 4.34046499e-01 1.44100546e+00 -1.66843905e+00 -4.76509771e-01\n 9.94561546e-01 1.32025524e-01 -1.50817600e+00 1.94244590e-01\n -1.94713484e+00 1.70196990e+00 1.94722707e+00 -5.44302668e-02\n 9.68651572e-01 -1.80283559e+00 5.30765532e-01 -2.09756116e+00\n -1.57810841e+00 -1.64840569e+00 2.13367908e+00 6.90610943e-01\n -4.44469519e-01 1.38642189e+00 2.64795693e-01 -5.61293301e-01\n -2.74619615e+00 -1.66016283e+00 4.99475795e-01 -6.08950833e-01\n -2.80140610e+00 -8.96840933e-01 3.85419096e-01 2.20952827e+00\n -1.27944199e+00 1.75864129e+00 -7.29514386e-01]\",[-82.0046445],107489,500,Maximum number of iterations has been exceeded.,False,1288,5.840740733199527,5v6y,87.10380000019688,8.470000267028809,118,57,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 13, 14), (6, 9, 10, 11), (7, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (14, 15, 21, 22), (14, 17, 18, 19), (15, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 28, 29), (23, 28, 29, 30), (28, 29, 30, 31), (34, 33, 30, 29), (33, 34, 35, 36), (34, 35, 40, 41), (35, 40, 41, 42), (40, 41, 42, 43), (41, 42, 45, 46), (42, 45, 46, 47), (45, 46, 47, 48), (50, 49, 46, 45), (46, 47, 59, 60), (51, 50, 49, 46), (47, 59, 60, 61), (59, 60, 61, 62), (59, 60, 63, 64), (60, 61, 67, 68), (60, 63, 64, 65), (61, 67, 68, 69), (67, 68, 69, 70), (67, 68, 71, 72), (68, 69, 75, 76), (68, 71, 72, 74), (69, 75, 76, 77), (75, 76, 77, 78), (75, 76, 79, 80), (82, 81, 77, 76), (81, 82, 83, 84), (82, 83, 88, 89), (83, 88, 89, 90), (88, 89, 90, 91), (93, 92, 89, 88), (89, 90, 102, 103), (94, 93, 92, 89), (90, 102, 103, 104), (102, 103, 104, 105), (103, 104, 106, 107), (104, 106, 107, 108), (106, 107, 108, 109), (111, 110, 107, 106), (112, 111, 110, 107)]\"\n\"[ 2.09574702 -0.58577215 -1.85880591 5.99748064 1.55128509\n -20.76315856 -2.13732843 0.21532331 -1.67884272 1.67037796]\",[-150.13588577],24343,153,Optimization terminated successfully.,True,374,0.8845466568494936,4azy,143.39720101541292,6.699999809265137,34,4,\"[(11, 10, 9, 2), (24, 23, 9, 2), (17, 16, 14, 13), (26, 27, 29, 30)]\"\n\"[-8.08559911e-01 4.30851394e-01 -4.88466200e-01 -3.85069344e+01\n -5.81852828e+01 1.01202168e+02 3.93909008e-02 2.38444329e+00\n 1.46952867e+00 -8.63803302e-01 -4.31097351e-01 -1.64631634e+00\n 4.11384128e-01 2.54245560e+00 -7.17074876e-01 -2.19875239e-01\n 1.94144568e+00 2.54208155e+00 -2.90190593e+00 8.83013192e-01\n 2.14564925e+00 2.58550227e+00 -7.34279567e-01 3.89034968e-01\n -1.25849987e+00 -1.06362421e+00 1.21749107e+00 -3.28637532e-01\n 2.02700389e+00 -1.89538196e+00 2.29350785e+00 1.15427945e+00\n 2.34498151e+00 1.90685137e+00 8.38087204e-01 -1.44121309e+00\n -6.32990420e-01 -1.86711287e+00 1.26817375e+00 1.20061929e+00\n 1.14339625e+00 -1.47607806e+00 -2.49162580e+00 -1.26475850e+00\n 1.93999317e+00 -2.48777791e+00 2.09000394e-01 4.16173822e-01\n 9.82763851e-03 2.93338194e+00 -5.41574296e-01 2.09640364e+00\n 2.72585203e-01]\",[-101.75656078],87921,500,Maximum number of iterations has been exceeded.,False,1182,5.617696792832941,3puk,88.73622790236477,4.739999771118164,81,47,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 24, 25), (17, 20, 21, 22), (18, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (25, 26, 35, 36), (25, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (26, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 42, 43), (37, 42, 43, 44), (42, 43, 44, 45), (47, 46, 43, 42), (43, 44, 52, 53), (48, 47, 46, 43), (44, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 54, 61, 62), (53, 56, 57, 58), (56, 57, 58, 59), (54, 61, 62, 63), (61, 62, 63, 64), (61, 62, 65, 66), (62, 63, 69, 70), (62, 65, 66, 67), (63, 69, 70, 71), (69, 70, 71, 72), (69, 70, 73, 74), (70, 73, 74, 75), (73, 74, 75, 76), (74, 75, 76, 77)]\"\n\"[-0.32457714 -2.2251562 -1.18685582 4.8251461 6.84284554 24.65999538\n 2.97076495 0.22172861 -1.09972947 3.13068284 -1.82548284 -1.55304294\n 0.87103669 2.09526385 -2.97537643 2.41722224 2.36304983 2.60400307]\",-131.64178121857935,81561,500,Maximum number of iterations has been exceeded.,False,523,4.3837870063616995,4wzv,119.61227440710609,9.369999885559082,40,12,\"[(4, 3, 1, 0), (0, 1, 17, 18), (8, 7, 6, 5), (9, 10, 11, 12), (1, 17, 18, 19), (1, 17, 22, 23), (17, 18, 19, 20), (17, 22, 23, 24), (17, 22, 27, 28), (22, 23, 25, 26), (29, 28, 27, 22), (30, 29, 28, 27)]\"\n\"[-2.71981828 1.3135217 1.97853793 21.59146551 85.02747551 89.81920871\n -0.91879082 -0.09735355 2.92614844 0.33453047]\",[-68.12707279],19425,123,Optimization terminated successfully.,True,277,0.8363748881233777,5u4c,59.20187591555332,6.0,20,4,\"[(0, 1, 14, 17), (2, 3, 6, 7), (9, 8, 7, 6), (10, 11, 19, 15)]\"\n\"[ -2.72004141 1.26302232 -0.42172833 -13.73169941 5.30117602\n 11.98069209 -0.279702 1.56134416 1.13720099 -0.79666331\n -2.09951755 0.79872613 0.8661772 -0.50824359 -2.07392713\n -3.01305942 -1.24462195 2.41963013 1.72732516 0.65125247\n -2.10884944 -2.59718832 0.03393658 -2.86718631 -0.76462689\n 0.07618231 -0.44075986 1.77077354 2.49829705 -0.49211793\n 1.31641441 -2.03007397 -0.57407367 -2.33193962 0.94664652\n -0.8477158 2.08616842 -1.6027521 -2.00188555 1.64618595\n -1.03269404 3.03370524 0.44396289 0.27361287 -1.41691084\n 2.92901745 -2.98260597 0.71066012 2.39206434 1.63163362]\",[-122.62566894],77598,500,Maximum number of iterations has been exceeded.,False,1100,6.930023979776307,3ft2,191.4986608214994,7.360000133514404,73,44,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 9, 18, 17), (8, 11, 12, 13), (16, 15, 17, 18), (16, 15, 26, 27), (15, 17, 18, 9), (15, 17, 19, 20), (17, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (15, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 34, 35), (27, 30, 31, 32), (28, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 42, 43), (35, 38, 39, 40), (36, 42, 43, 44), (42, 43, 44, 45), (42, 43, 46, 47), (43, 44, 50, 51), (43, 46, 47, 48), (44, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55), (51, 52, 58, 59), (51, 54, 55, 56), (52, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 60, 67, 68), (59, 62, 63, 64), (62, 63, 64, 65), (60, 67, 68, 69), (67, 68, 69, 70)]\"\n\"[-0.29877978 0.13036025 -1.01985572 34.67455649 27.50032906 23.33902915\n -1.48542586 2.59402175 2.09419548 -0.46907461]\",[-113.33163581],19264,122,Optimization terminated successfully.,True,338,1.7144061651551195,6d5g,108.39624171847166,6.599999904632568,32,4,\"[(2, 3, 0, 4), (0, 3, 2, 13), (5, 24, 4, 0), (19, 18, 8, 10)]\"\n\"[-1.84543656 -1.14101173 1.3183219 7.79050562 42.56357407 21.04198537\n -2.11830117 -1.07523109 -2.5511236 0.71548331]\",[-79.30044491],22015,141,Optimization terminated successfully.,True,222,1.284242309762998,4del,21.468242632760152,7.679999828338623,10,4,\"[(2, 0, 1, 5), (1, 0, 2, 3), (0, 1, 5, 9), (1, 5, 9, 6)]\"\n\"[ 2.95016758e+00 2.16495522e+00 1.46816081e+00 4.92089202e+01\n 1.21545323e+00 1.58113193e+01 -2.92770898e+00 -1.32532885e+00\n 1.58959446e+00 -2.64233630e+00 7.00748865e-01 1.93616897e+00\n -1.24548304e+00 -1.07458692e+00 -1.18514752e+00 -8.61063388e-01\n 1.53480029e+00 -3.77540854e-01 1.98324799e-01 1.39944483e+00\n 3.29496779e-01 -2.09818705e+00 5.69770776e-03]\",[-59.56789065],82893,500,Maximum number of iterations has been exceeded.,False,935,4.548216172979194,2c9t,68.99155958426763,7.480000019073486,91,17,\"[(0, 1, 2, 3), (5, 4, 2, 1), (6, 5, 4, 2), (16, 17, 20, 21), (22, 23, 26, 27), (23, 26, 27, 28), (37, 38, 41, 42), (38, 41, 42, 43), (41, 42, 43, 44), (42, 43, 44, 45), (64, 63, 60, 59), (65, 64, 63, 60), (73, 74, 77, 78), (74, 77, 78, 79), (77, 78, 79, 80), (78, 79, 80, 81), (84, 85, 86, 87)]\"\n\"[-2.11841900e-01 -1.63198589e+00 6.09860213e-01 6.11261532e-01\n 3.88047567e+01 1.15408982e+01 -1.01714666e+00 2.01208910e+00\n 2.28896671e+00 -1.42676195e+00 -1.49209452e+00 2.24272551e+00\n -5.51080481e-01 -3.40035836e-02 8.80036880e-01]\",[-73.14922406],76974,500,Maximum number of iterations has been exceeded.,False,298,2.1650679726374222,4u5v,52.35260519452274,3.049999952316284,22,9,\"[(0, 1, 2, 3), (1, 2, 3, 4), (1, 2, 8, 9), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (10, 9, 8, 2), (11, 10, 9, 8), (15, 14, 13, 12)]\"\n\"[ 2.91997225 -2.38306423 1.48966928 3.96592854 14.60824856 1.68122352\n -0.2957456 -0.51236553]\",[-87.06375142],12032,72,Optimization terminated successfully.,True,223,1.282585868862073,2vcw,78.14139025790885,3.049999952316284,14,2,\"[(4, 3, 1, 0), (9, 8, 6, 5)]\"\n\"[ 1.48493946 0.65413219 2.6108218 -93.72442259 -45.83764974\n -49.37201256 3.03431941 -3.11399457 1.8749216 2.34046992]\",[-187.97221958],43078,279,Optimization terminated successfully.,True,285,2.3497758678772525,3rkb,200.12956471996324,6.420000076293945,21,4,\"[(1, 0, 5, 8), (17, 7, 3, 2), (11, 12, 5, 0), (16, 17, 7, 3)]\"\n\"[ 3.07275178 -3.05590613 0.51914956 21.55671617 31.40171234 89.64130098\n 2.12528385 1.64464286 -2.92287782 -0.90587249]\",[-63.35254776],29405,191,Optimization terminated successfully.,True,209,1.5723604355170688,4bg1,49.801047015120496,6.309999942779541,12,4,\"[(9, 5, 6, 7), (0, 9, 5, 6), (5, 6, 7, 8), (6, 7, 8, 10)]\"\n\"[ 8.82294194e-01 2.29894868e+00 3.05926073e+00 2.65791009e+01\n 5.24324960e+01 9.45384507e+01 -2.00825465e+00 -2.33772284e+00\n -2.42387989e+00 -3.34141370e-01 1.70724911e+00 -2.30111827e+00\n 2.76769552e+00 6.82016709e-02 1.50642869e+00]\",[-101.81334616],76718,500,Maximum number of iterations has been exceeded.,False,415,1.8511157647813852,6bfe,127.82831244733542,5.849999904632568,29,9,\"[(0, 1, 25, 24), (4, 7, 21, 24), (13, 17, 22, 26), (15, 18, 26, 22), (5, 19, 23, 2), (7, 21, 24, 23), (18, 26, 22, 17), (2, 23, 24, 21), (21, 24, 25, 1)]\"\n\"[ -1.50262371 2.94949422 3.11729092 -12.22028217 -0.36336298\n -17.91845054 -0.4969712 0.8355962 ]\",[-92.6323948],34060,220,Optimization terminated successfully.,True,515,3.1668076758460044,5tjx,84.33670272334649,6.820000171661377,39,2,\"[(20, 19, 18, 17), (21, 20, 19, 18)]\"\n\"[ 2.53658923 -0.60654329 2.56417302 6.56530106 9.39794571 2.13166371\n 2.12385457 -2.33806668]\",[-48.25447258],18880,118,Optimization terminated successfully.,True,202,0.8006128227698596,3dnd,41.50191473539752,4.800000190734863,13,2,\"[(7, 6, 5, 0), (8, 7, 6, 5)]\"\n\"[ -0.10726801 1.01638103 -1.36131113 23.78054421 -13.55968233\n 96.25726402 2.36450623 2.33553675 -2.85597214 2.91314752]\",-82.98339731832391,19581,128,Optimization terminated successfully.,True,316,1.4687127587776452,3hb8,53.53263199305854,5.119999885559082,20,4,\"[(9, 8, 0, 1), (10, 11, 14, 15), (11, 14, 15, 16), (14, 15, 16, 17)]\"\n\"[ 2.05100859 -0.55307483 -2.82653542 23.52686442 48.80962591 7.12778193\n -2.94692508 -1.45077567]\",[-55.49938068],13370,84,Optimization terminated successfully.,True,279,1.5048992737817506,4do3,33.235462207133615,4.099999904632568,19,2,\"[(10, 13, 14, 15), (13, 14, 16, 17)]\"\n\"[-0.56495131 -0.44254018 -1.59699463 7.33550836 46.34368589 51.87396874\n 2.42676686 -3.1135546 -0.46811336 -0.80941699 0.71785203 2.81538905\n -0.07011484 2.61300428]\",[-89.89414021],78909,500,Maximum number of iterations has been exceeded.,False,555,4.197843227688682,4kbi,139.68463767364054,7.489999771118164,40,8,\"[(0, 1, 2, 3), (5, 4, 2, 1), (34, 33, 5, 4), (8, 9, 10, 11), (12, 11, 10, 9), (9, 10, 23, 24), (13, 12, 11, 10), (31, 30, 27, 9)]\"\n\"[-1.89001439 1.75246513 -2.63280521 20.53795886 59.28464219 53.04144812\n 0.50866129 -2.82618792 -0.92489365 -2.49713505 2.78899765 -1.5192032\n 0.56819675 -0.95445686 -1.85064582 -2.76288393 0.06388376 0.44425107\n 3.04013188 -1.58026322 -2.02499177 -0.23487602 1.4862096 -2.43640439\n 0.13519215 -2.79849618 -2.49226314 0.13810116 -1.62113311 -1.25459567\n -0.8217208 1.59656744 0.46823482 -2.02292891 2.90913265 -0.56799039\n -0.87862641 -2.10938108 1.46661187 -1.51383931 3.0473974 -0.99283415\n -0.96185022 1.30768243]\",[-66.13605447],90336,500,Maximum number of iterations has been exceeded.,False,821,7.331266968470243,6g85,51.60077961256263,5.210000038146973,81,38,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 11, 12), (6, 5, 4, 1), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 18, 19), (13, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 26, 27), (19, 22, 23, 24), (20, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (34, 33, 28, 27), (33, 34, 35, 36), (34, 35, 40, 41), (35, 40, 41, 42), (40, 41, 42, 43), (41, 42, 45, 46), (42, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50), (46, 47, 53, 54), (46, 49, 50, 51), (47, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 61, 62), (54, 57, 58, 59), (55, 61, 62, 63), (61, 62, 63, 64), (66, 65, 62, 61), (74, 73, 63, 62), (67, 66, 65, 62), (73, 74, 75, 76)]\"\n\"[-0.81867569 -0.06760825 -0.26340023 10.10631655 1.95385853 15.32086021\n -2.11718596 0.03384903 0.78819986 -1.54996057 -0.49553715 0.34400957\n 1.43528663 0.65044142 1.76112031 -0.9167019 -1.57706468 -2.85613416\n 2.3483491 -1.9890414 ]\",[-111.79035505],83499,500,Maximum number of iterations has been exceeded.,False,470,3.438813058957809,1k6t,234.4330899100727,7.619999885559082,46,14,\"[(39, 38, 0, 12), (1, 2, 3, 5), (2, 3, 5, 6), (3, 5, 6, 9), (2, 10, 13, 14), (10, 13, 14, 16), (13, 14, 16, 17), (14, 16, 17, 25), (16, 17, 25, 27), (16, 17, 18, 45), (24, 19, 18, 17), (28, 27, 25, 17), (37, 28, 27, 25), (44, 39, 38, 0)]\"\n\"[ 1.39495195e+00 -2.79766675e+00 -6.13463451e-01 -3.16168142e+01\n 4.04713944e+01 1.47701074e+01 7.40656341e-01 1.70595775e+00\n -1.08172388e-02 1.29871772e+00 -1.83582171e+00 1.57820709e+00\n -1.19582554e+00]\",[-180.01222713],47368,289,Optimization terminated successfully.,True,435,1.8287712623241597,5lj0,162.01904748829907,8.0,38,7,\"[(2, 1, 10, 9), (6, 5, 4, 3), (0, 8, 9, 10), (1, 10, 9, 8), (19, 18, 17, 5), (20, 19, 18, 17), (24, 23, 22, 21)]\"\n\"[ 2.21499518 -3.0804305 -1.69257929 27.51553113 12.63005326 11.35608852\n 2.3708166 -0.87819818 0.8629242 1.41992269 1.34445266 -3.06681505\n -0.09430055 2.32078855 -0.05159666 1.51031595 1.40202369 2.03659785\n 0.46519804 0.3466762 -1.00674717]\",[-97.96394647],86148,500,Maximum number of iterations has been exceeded.,False,476,3.5306270601179457,4bzs,70.0107278715798,7.119999885559082,37,15,\"[(0, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (7, 8, 13, 14), (8, 13, 14, 15), (13, 14, 16, 17), (14, 16, 17, 18), (30, 29, 16, 14), (16, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22), (18, 20, 25, 26), (20, 21, 23, 24), (20, 25, 26, 27), (31, 30, 29, 16)]\"\n\"[ 0.58969523 -0.64633304 -2.97254242 52.5346526 32.34317517 38.75823891\n -2.11745686]\",[-127.80178621],7464,43,Optimization terminated successfully.,True,252,1.0367629532974554,2bge,114.68784794105949,2.799999952316284,14,1,\"[(7, 6, 5, 0)]\"\n\"[ 0.83577676 -1.22624797 1.58927446 22.09592245 -4.33555096 29.84782793\n -2.49120487 -3.02558921 1.49816191 2.79880533 1.49231312 -2.76461815\n -0.54825283 0.30103879 -0.39351583 2.06730936 -1.71656196]\",-196.8917606906794,53010,343,Optimization terminated successfully.,True,548,3.5065179466492546,2fm0,174.05484433644574,9.399999618530273,38,11,\"[(8, 3, 2, 0), (9, 8, 3, 2), (9, 7, 6, 4), (8, 9, 7, 6), (15, 14, 11, 10), (17, 15, 14, 11), (31, 30, 14, 11), (16, 19, 20, 21), (19, 20, 22, 23), (19, 20, 26, 27), (32, 31, 30, 14)]\"\n\"[-0.30096692 2.7984978 0.62654871 10.74308379 3.68395775 22.68867981\n 0.66995851 -3.12028162 0.385272 0.98563245 0.99291271 -0.9247568\n 1.10342001 0.50952007 0.16839117 -2.38595393 -1.05187879 2.33594057\n -1.740594 2.92192775 2.98023073 -2.10057237]\",[-68.02956915],77867,500,Maximum number of iterations has been exceeded.,False,528,4.0969506543583085,5ey9,118.45025785492389,5.409999847412109,35,16,\"[(29, 7, 8, 9), (8, 7, 29, 15), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 30), (12, 13, 30, 31), (14, 15, 17, 18), (14, 15, 29, 7), (19, 18, 17, 15), (20, 19, 18, 17), (1, 26, 25, 20), (13, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34)]\"\n\"[-0.51782918 -0.82508104 -2.87789987 22.81356916 35.89582335 15.56972587\n -2.42621031 -0.81464253 2.98991011 1.65650602 -2.91570437 3.07232463]\",[-126.77400912],79950,500,Maximum number of iterations has been exceeded.,False,371,1.8073728030482146,3twj,95.32138361910384,7.840000152587891,23,6,\"[(0, 1, 2, 3), (12, 11, 1, 0), (4, 3, 2, 1), (5, 4, 3, 2), (13, 12, 11, 1), (16, 15, 14, 13)]\"\n\"[-1.44790261e-01 -1.57210070e+00 2.84108864e+00 -1.06508714e+02\n -6.64014864e+01 2.81766362e+01 6.29891421e-01 -8.38773509e-01\n -6.00277035e-01 -8.47354665e-01 -1.62108715e+00 8.08944185e-02\n -2.05498265e-02 8.10520602e-02 2.57003332e+00 2.08919686e+00\n -2.31780152e+00 -1.51902825e+00 -1.97182475e+00 -8.18973935e-02\n -1.68986475e+00 1.75220891e-02 1.77615809e+00 -7.65718040e-01\n 1.69373515e-02 -2.22496308e+00 6.17034399e-02]\",-65.07217369383686,81750,500,Maximum number of iterations has been exceeded.,False,634,4.113620828379976,4lte,96.89018143101872,7.21999979019165,46,21,\"[(3, 0, 1, 2), (4, 3, 0, 1), (0, 1, 21, 27), (5, 4, 3, 0), (14, 10, 11, 17), (12, 20, 11, 10), (1, 21, 27, 26), (13, 23, 26, 27), (23, 26, 27, 21), (21, 27, 28, 18), (18, 28, 35, 34), (39, 29, 30, 31), (30, 29, 39, 40), (29, 30, 31, 32), (29, 30, 36, 37), (30, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (33, 34, 35, 28), (29, 39, 41, 42), (41, 42, 43, 44)]\"\n\"[ -0.03093928 0.15750723 2.26912151 -23.2026636 2.68601677\n -11.22030803 2.36202627]\",[-109.30161159],13170,80,Optimization terminated successfully.,True,272,0.9908932399171959,5aux,40.96336486956483,5.0,21,1,\"[(10, 9, 8, 7)]\"\n\"[-6.94488394e-01 -1.45205856e+00 6.77633008e-01 1.83379653e+01\n 1.80775533e+01 1.09018646e+02 4.56545820e-02 -1.08990670e-02\n 2.05431959e+00 -2.57098237e+00 4.56393068e-01 1.70951299e+00]\",-117.52493570436214,25545,161,Optimization terminated successfully.,True,493,2.468641712655022,3cjo,102.4106986627667,8.65999984741211,33,6,\"[(12, 24, 15, 28), (12, 24, 16, 5), (12, 21, 19, 9), (10, 20, 27, 1), (14, 26, 23, 27), (26, 23, 27, 1)]\"\n\"[-0.03575414 1.12172315 0.19894493 24.86527209 -4.47409364 24.66065201\n -2.12945043 -2.9713552 -2.5066202 0.73388803]\",[-135.66230226],20994,135,Optimization terminated successfully.,True,351,1.1125768012212391,4hnf,133.81369434101777,6.150000095367432,25,4,\"[(0, 1, 18, 8), (5, 7, 8, 18), (1, 18, 8, 7), (4, 15, 12, 11)]\"\n\"[-1.73477776 -2.37617727 0.78717188 23.1464801 2.54489472 12.68287577\n -1.51016122 -2.42645601 -0.48236424 -0.36176425]\",[-95.4810715],20162,123,Optimization terminated successfully.,True,304,1.516622606210086,1n3z,70.5029109262025,4.199999809265137,21,4,\"[(15, 20, 0, 1), (16, 17, 8, 9), (15, 14, 13, 12), (14, 16, 17, 8)]\"\n\"[ -1.38881656 1.47508366 -1.15941911 20.29430347 -16.14297151\n 8.44190359 0.38723581 1.77132324 1.6544379 2.16057695\n 0.46571123 1.96881045 -0.03980373 -0.55307932 -1.80783536\n -0.07299972 -1.73482142 -0.62688095 -0.96257522 1.79296893\n -2.57539265 2.13296582 -0.97896334 -2.85757283 0.53872683\n -0.08721473 -0.36700368 -2.8857198 0.68887613 1.00858964\n 2.19012149 1.3901598 1.68085211 2.17304179 0.10224205\n -1.13581234 2.40789485 0.64855745]\",[-71.97336056],78882,500,Maximum number of iterations has been exceeded.,False,513,5.2933563956889484,3ux0,72.55153759017855,6.260000228881836,54,32,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 27, 28), (17, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (18, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 36, 37), (28, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (29, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 39, 42), (38, 39, 42, 43), (37, 40, 46, 47), (40, 46, 47, 48), (46, 47, 48, 49), (46, 47, 50, 51)]\"\n\"[ 1.60093376 -2.59159969 0.25375903 64.21820605 8.4080152 19.28762592\n -0.59639345]\",[-47.59099969],8488,51,Optimization terminated successfully.,True,130,0.3845400931591923,4yrg,41.89471158976593,2.700000047683716,9,1,\"[(1, 0, 7, 8)]\"\n\"[ 2.66280523 -2.26392072 -0.20831177 10.66934158 26.74894894 2.8994625\n 1.70207349 2.91793124 0.14189666 -2.84905833 -2.21544833 -0.570614 ]\",-94.22825309245493,40053,254,Optimization terminated successfully.,True,343,1.5147862057357921,4m3f,88.07040972827075,5.309999942779541,21,6,\"[(0, 1, 3, 4), (10, 9, 1, 0), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (16, 15, 12, 11)]\"\n\"[ -0.58669529 -0.3381857 -3.01136477 -40.3718515 8.09586148\n -28.82848095 -1.89443069 -2.69478765 1.66831841 -0.9252707\n 0.22664561 1.38871467 -0.7692513 2.32592731 0.36523928\n 1.18095044 -1.74320197 1.06180974 0.04485311 2.15598281\n 1.25501603 -0.36842539 2.67874382 -2.32269409 -1.98405818\n -1.84910801]\",[-91.77662182],80073,500,Maximum number of iterations has been exceeded.,False,482,2.813739696981613,3mp6,76.59007551650545,5.960000038146973,35,20,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 32, 33), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ -0.6140403 -1.86167903 1.56345577 -23.95712638 2.9376895\n 8.6326005 -2.73586841 0.74133785 -0.40753567 -0.23017611\n 0.05102507 -0.13956566 2.19671204 -0.99058289]\",[-52.49108741],74921,478,Optimization terminated successfully.,True,514,4.203946797450015,4li7,34.730073617536895,6.110000133514404,31,8,\"[(1, 0, 3, 7), (0, 1, 5, 10), (0, 3, 7, 12), (3, 7, 12, 15), (16, 15, 12, 7), (17, 16, 15, 12), (23, 22, 21, 19), (25, 23, 22, 21)]\"\n\"[-3.12498229e+00 2.91789604e+00 3.52297030e-01 2.52855368e+01\n 7.98621443e+01 2.73220205e+01 3.08714103e-02 7.25057104e-01]\",[-156.28844258],12326,75,Optimization terminated successfully.,True,454,0.965301084055104,1uu3,161.09662494061809,6.119999885559082,35,2,\"[(0, 30, 31, 32), (30, 31, 32, 33)]\"\n\"[ 2.41160837 1.07419399 0.93021957 51.98894625 2.1147024 40.74921759\n -0.09842888 -1.85075652 0.69326758 -1.39846897 0.69859732 1.62100498\n 0.26469562 2.44674935]\",[-54.75812257],78384,500,Maximum number of iterations has been exceeded.,False,521,4.3072899996854765,4fxy,61.578679855590416,7.539999961853027,37,8,\"[(5, 0, 4, 1), (4, 0, 5, 16), (13, 1, 4, 0), (12, 13, 1, 4), (7, 6, 2, 17), (2, 17, 5, 0), (28, 12, 13, 1), (21, 20, 19, 2)]\"\n\"[ 0.6380529 0.116194 0.48350427 -20.43157854 25.40916024\n -1.03344063]\",-31.715933740288683,12297,80,Optimization terminated successfully.,True,127,0.0004267370222481128,3p1d,29.061941698753554,2.640000104904175,7,0,[]\n\"[ 0.99356125 -0.97006512 1.27031754 -17.25553662 10.42554649\n 5.76710513 0.22522626 -0.05462647 0.6591191 1.43929946\n 1.87528198 0.09741658 1.39333885 2.08931251 1.71442964\n -2.41541342 1.45763552 2.09544103 -1.22369823 0.44495123\n 0.9821928 ]\",[-93.71331334],85818,500,Maximum number of iterations has been exceeded.,False,550,3.2229156030244774,5lzg,94.60361438877192,3.0999999046325684,43,15,\"[(0, 1, 2, 8), (5, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 16, 17), (18, 17, 16, 14), (19, 18, 17, 16), (19, 22, 23, 24), (22, 23, 24, 25), (29, 31, 32, 33), (31, 32, 33, 34), (27, 36, 37, 38), (36, 37, 39, 40), (37, 39, 41, 42)]\"\n\"[-0.11674727 1.97520269 0.61693728 21.21008753 7.59370457 29.48346122\n -2.29316011 -2.93276916 -1.1742575 ]\",[-138.56262222],19858,125,Optimization terminated successfully.,True,343,0.7968167761529478,3mw1,117.50804734478996,9.09000015258789,33,3,\"[(9, 8, 3, 2), (28, 27, 12, 11), (19, 18, 17, 10)]\"\n\"[ 0.55802078 -3.13048963 1.79684105 -28.56961663 -2.70285186\n 43.81430175 0.05522332]\",[-123.61386084],9630,58,Optimization terminated successfully.,True,371,1.6178077895048226,4hbn,70.48926248777124,6.099999904632568,22,1,\"[(13, 12, 11, 6)]\"\n\"[ 2.0817754 -0.2863778 2.53020363 0.79359173 1.98344584\n -11.06729265 0.5258887 -2.16835883 0.99633525 0.89931043\n -0.52055767 2.34163667 1.52459889]\",[-183.97815558],47994,301,Optimization terminated successfully.,True,325,1.825676488535437,1xlz,164.72577034294233,6.019999980926514,21,7,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (8, 7, 5, 4), (9, 10, 11, 12), (16, 15, 13, 10), (17, 16, 15, 13)]\"\n\"[ 0.27815153 -3.00885042 2.33784689 -1.05262404 126.18225793\n -12.08254786 0.26230466 -0.65332601 -1.687546 ]\",[-57.4368013],13070,79,Optimization terminated successfully.,True,183,1.4507459503391267,4u54,42.86097626295829,2.059999942779541,15,3,\"[(5, 6, 0, 10), (4, 3, 2, 1), (5, 4, 3, 2)]\"\n\"[ 1.38340408 3.0994647 0.41187406 17.0316527 3.26959101 54.74051649\n 2.23154812]\",[-105.26323941],10924,65,Optimization terminated successfully.,True,363,1.4920932542769285,5khk,100.99972946117654,6.389999866485596,22,1,\"[(11, 10, 9, 5)]\"\n\"[ 1.81531187 -1.83635517 0.29850669 5.76657968 28.8975396 10.78392053\n -1.90378651 0.08044515 0.83628866 2.88104933 0.33111775 1.11095117\n 0.84300506 -2.22673231 1.57209414]\",[-101.2761668],76782,500,Maximum number of iterations has been exceeded.,False,421,2.667336761576988,4acm,201.99377084322305,6.679999828338623,31,9,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (10, 9, 6, 5), (16, 15, 12, 11), (18, 19, 21, 22), (24, 23, 21, 19), (25, 24, 23, 21)]\"\n\"[-1.4473108 0.96872466 -0.61702468 -4.5023777 -9.79736005 -1.67410186\n -1.72193034 2.15559864 0.23263059 0.58448873]\",-33.969569839955554,37881,250,Optimization terminated successfully.,True,350,1.1415534781167989,1pun,8.594294191635946,7.28000020980835,24,4,\"[(0, 1, 4, 5), (6, 5, 4, 1), (7, 6, 5, 4), (13, 12, 11, 7)]\"\n[-0.7887843 2.67053682 2.46638884 15.92641471 1.56035911 15.60001714],[-52.85499859],11311,71,Optimization terminated successfully.,True,142,0.00014193025061499348,4mlt,22.13659158130859,2.8499999046325684,9,0,[]\n\"[ 0.78953097 0.19065595 0.83115304 28.66966817 1.44915478 52.60856464\n -2.06777074 -3.00287096 -0.68556812 -0.22281113 -1.04861808 3.0040333\n -1.83728636]\",-74.385633747777,25722,162,Optimization terminated successfully.,True,306,1.0823845884233934,3amv,59.99943057355128,7.96999979019165,28,7,\"[(7, 6, 0, 1), (6, 7, 16, 25), (10, 8, 12, 23), (6, 10, 11, 21), (8, 20, 15, 14), (7, 16, 26, 17), (18, 17, 26, 16)]\"\n\"[ -1.79958461 2.42527884 2.04295289 -24.75324464 20.8262314\n 7.83713798 0.67743618]\",[-116.73859301],10024,59,Optimization terminated successfully.,True,240,0.0355933659135592,5ive,106.67705889561282,7.570000171661377,16,1,\"[(2, 7, 5, 4)]\"\n\"[ 1.00627255e+00 -4.16864526e-01 4.65909488e-01 3.76641877e+01\n 1.15637633e+01 8.22057423e+01 1.40579703e+00 -2.15168477e+00\n 7.69578337e-02 -8.17136842e-01 9.39184165e-01 -9.63981506e-02\n 1.34213318e+00]\",[-62.99633881],79192,500,Maximum number of iterations has been exceeded.,False,398,2.901385420123259,1jil,71.8586019721056,8.399999618530273,27,7,\"[(3, 4, 7, 8), (4, 7, 8, 10), (7, 8, 10, 12), (8, 10, 12, 13), (17, 13, 12, 10), (22, 17, 13, 12), (12, 13, 14, 16)]\"\n\"[ -1.66046465 2.42434234 -2.69133529 38.55099606 126.03053785\n 129.93108575 0.63310767 -0.5640555 ]\",[-58.66316043],16250,102,Optimization terminated successfully.,True,212,0.6126522678870471,5ehy,44.26773114295763,6.090000152587891,20,2,\"[(5, 4, 3, 2), (2, 19, 18, 13)]\"\n\"[ -0.19845889 -2.02785361 1.44946334 13.71820241 14.48312721\n -14.25632849 2.3667017 -2.74239673 0.01560082 -0.51213926]\",[-214.87759051],20756,134,Optimization terminated successfully.,True,281,1.5606368501122183,5khx,189.65476763526112,7.849999904632568,20,4,\"[(11, 1, 2, 13), (1, 2, 13, 4), (0, 3, 9, 8), (11, 10, 9, 3)]\"\n\"[-1.01342045 -2.25566821 0.17595532 4.0504345 54.46074606 26.13424333\n -2.31948308]\",[-187.95898625],10630,62,Optimization terminated successfully.,True,320,0.9736711077951145,1x8b,174.06600081384687,7.010000228881836,25,1,\"[(20, 19, 17, 13)]\"\n\"[ 1.04806745 -0.89163358 -2.94884226 17.39258909 2.92749588 28.49556873\n -2.74647811 0.36214931 0.67079633 -0.48062224 -0.6596249 -1.15671503]\",[-97.77383406],22750,139,Optimization terminated successfully.,True,242,2.952487247819325,3td4,52.51965445767784,5.659999847412109,13,6,\"[(7, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 9)]\"\n\"[-0.95582249 2.27874796 2.15774829 95.5911686 91.4710523 76.97739225\n -3.09673927 -2.59979234 -1.21845531 1.05156186 -0.2180563 0.60384108\n 1.60147444 -1.66498621]\",[-79.83226424],78624,500,Maximum number of iterations has been exceeded.,False,416,2.379658639440584,1exv,104.23082359220948,7.349999904632568,30,8,\"[(2, 1, 0, 7), (1, 0, 7, 8), (0, 7, 8, 9), (0, 7, 17, 18), (11, 10, 8, 7), (11, 12, 13, 14), (19, 18, 17, 7), (20, 19, 18, 17)]\"\n\"[-1.92742389 -2.3091568 -3.11761035 9.32073075 19.91120148 26.12041251\n -0.39611946 2.13122288 0.08615152 -2.05239778 -1.52731958 -0.93437333\n 2.53807186 -1.59525706 0.58210643 1.98469118 0.69991871 1.33906075]\",[-106.40344375],82967,500,Maximum number of iterations has been exceeded.,False,387,3.550105558090506,4pkw,81.4863472840656,4.650000095367432,28,12,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (4, 5, 24, 25), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 11), (15, 14, 9, 8), (9, 10, 12, 13), (16, 15, 14, 9), (5, 24, 25, 26)]\"\n\"[ -1.98714492 2.03388573 1.8085807 -35.96044936 -26.2339525\n -18.33220522 -2.32664971 1.10917647 -2.40706514 -0.77152345]\",[-69.60665809],24653,158,Optimization terminated successfully.,True,162,0.8008726576125645,3c0z,52.03107535174761,3.950000047683716,8,4,\"[(0, 2, 3, 1), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[ 1.72407009e-02 -2.68304560e+00 -5.88920658e-01 -3.43250711e+01\n 5.25859074e+00 1.47764304e+02 5.40977966e-01 -4.83549277e-01\n -2.13513786e-02 -1.81650418e+00 1.09689408e+00 -2.19180879e+00\n -1.09614298e+00]\",-56.09224807524567,78450,500,Maximum number of iterations has been exceeded.,False,477,3.4297494406831106,5cw8,41.099631408811575,7.21999979019165,31,7,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 13), (5, 6, 13, 12), (11, 25, 13, 6)]\"\n\"[ 0.62444943 -1.68614136 -1.58393508 13.4174744 -10.13349056\n 19.92915466 1.4055421 2.9563332 -1.57006723 1.08648678\n 0.86489175 0.88327155 1.09173737 1.4028007 -3.09438519\n 2.38560753]\",[-152.43739331],82166,500,Maximum number of iterations has been exceeded.,False,379,2.396592088245054,3f68,153.7667111241765,5.059999942779541,30,10,\"[(23, 0, 5, 1), (24, 23, 0, 5), (5, 1, 2, 3), (2, 1, 5, 0), (0, 5, 6, 7), (9, 8, 6, 5), (8, 12, 13, 14), (12, 13, 14, 15), (16, 15, 14, 13), (17, 16, 15, 14)]\"\n\"[-7.85895795e-01 3.07034417e+00 1.85967728e+00 1.52211618e+01\n 5.33489982e+01 4.05331360e+01 2.35274715e+00 2.64778034e+00\n -1.36144531e-01 -2.93076731e-02 -1.57561871e+00 1.71848562e-01\n 4.63104385e-01 -2.10841455e+00 -1.24330408e+00 -8.98468329e-02]\",-145.78865529830568,65477,406,Optimization terminated successfully.,True,373,2.938149586877889,3bi0,123.21384483505074,7.849999904632568,20,10,\"[(3, 0, 2, 5), (2, 0, 3, 1), (15, 1, 3, 0), (3, 1, 15, 4), (15, 4, 11, 10), (11, 4, 15, 1), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 4), (4, 11, 12, 13)]\"\n\"[-0.35201898 0.14994601 -0.74288428 31.04310044 5.64126691 28.17095064\n -0.24901723]\",[-99.80135001],9974,58,Optimization terminated successfully.,True,154,1.0422997258607676,1f5k,81.56606876240947,3.740000009536743,9,1,\"[(5, 0, 6, 8)]\"\n\"[-1.62330092e+00 3.07019506e+00 -5.90894872e-01 -2.28199148e+01\n 2.08187905e+01 4.03936604e+01 2.00094225e-03 5.66609069e-01\n 1.14878543e+00 -4.78819116e-01 -2.55493290e+00 5.81264736e-01\n -2.53288414e+00 1.38183955e-01 -7.53440732e-02 2.29714287e+00\n 8.37004550e-01]\",[-90.63304331],78723,500,Maximum number of iterations has been exceeded.,False,558,5.3203467184516215,6bhv,99.8840235692054,5.230000019073486,44,11,\"[(33, 6, 2, 1), (16, 14, 5, 20), (33, 7, 9, 32), (7, 9, 32, 31), (31, 10, 22, 12), (22, 10, 31, 0), (18, 13, 11, 19), (13, 11, 19, 22), (11, 19, 22, 10), (0, 31, 32, 9), (4, 40, 41, 42)]\"\n\"[-0.3451561 -1.0757069 -1.74085107 10.25364939 13.69630466 57.52584423\n 0.84475756 -2.89524343 0.29178195 -1.43424352 -2.44860907]\",[-161.60112187],41544,263,Optimization terminated successfully.,True,246,1.7603011381507512,4zzx,160.1540906505461,6.900000095367432,18,5,\"[(0, 1, 10, 13), (2, 4, 6, 8), (1, 10, 13, 16), (10, 13, 16, 15), (17, 15, 16, 13)]\"\n\"[ 2.10621748 2.15146292 -2.29699475 7.85646717 4.78701693 33.5693603\n 0.91148352 2.0972171 1.77619489 -0.29384467 -1.16830441 0.8844733\n -0.29785785 1.08605738 0.21426805 0.66333198 -0.26659685 -2.88174391\n 2.54919273 0.66777128 -0.3132667 -0.89747099 -0.28209654 -1.09386066]\",[-75.30887801],85668,500,Maximum number of iterations has been exceeded.,False,684,7.290303440630138,4i9h,89.30271251805084,7.170000076293945,51,18,\"[(1, 0, 31, 32), (0, 1, 29, 30), (2, 3, 6, 7), (3, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 27), (8, 9, 27, 10), (27, 10, 11, 12), (11, 10, 27, 9), (13, 12, 11, 10), (14, 13, 12, 11), (21, 19, 15, 14), (22, 23, 26, 44), (0, 31, 32, 33), (31, 32, 33, 35), (36, 35, 33, 32), (37, 36, 35, 33), (38, 39, 42, 43)]\"\n\"[ 2.47350828 1.55184529 -1.74897698 17.39810785 32.25914486 3.28899612\n -0.63309366 -2.34955148 -1.74061417 -1.58917677 2.60427878 2.60323131\n -1.12288414 -0.34897604 -1.81048007 1.7232091 -0.28226855 0.38670237\n -1.43641619 1.15679925 -0.80894811]\",[-65.39404339],86302,500,Maximum number of iterations has been exceeded.,False,312,2.6526021724738307,1vyf,49.96087807794454,8.050000190734863,20,15,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[ -2.81010057 0.41883386 2.73571803 -6.45392821 -30.95998045\n 11.17510516 1.21287825 2.46329858 -1.31023539 2.78130689\n -2.32027416]\",[-209.19348815],70922,454,Optimization terminated successfully.,True,404,1.489771683359572,4dgg,204.6901955619785,6.099999904632568,32,5,\"[(4, 3, 1, 0), (14, 13, 12, 4), (18, 22, 23, 24), (25, 24, 23, 22), (26, 25, 24, 23)]\"\n\"[ 0.57611212 -0.91758511 -1.34628863 5.30024886 12.61843135 32.36638595\n -2.74533336 -2.55146068 -0.55425514 0.64226536 -3.12750681]\",[-104.25985759],31976,199,Optimization terminated successfully.,True,289,1.228402368621144,5cep,99.58383470738512,6.840000152587891,25,5,\"[(20, 19, 1, 2), (5, 13, 4, 2), (4, 13, 5, 3), (3, 6, 15, 16), (1, 11, 10, 8)]\"\n\"[ 0.858299 0.99604164 0.88429485 -14.20908282 18.67875243\n 31.32857548 -2.45938017 -0.56180032 -1.03799808 0.73419198\n 2.10436023 0.55953546 -1.01759666 1.28608561 -0.57495224\n 1.82151056 2.72661957 2.2007557 -0.63097898 -1.66097381\n -1.42339312 -2.23267186 -1.30962682 -0.53755523 2.34922653\n 2.87728776 0.19294471 1.11182182 -2.51571 -1.83718162\n 2.27594156 1.84496199 1.85308349 -1.84152128 2.371113\n 2.21012524 -1.27392104 -0.0694172 0.24077297 -1.0202085\n -2.43001993 3.03926552 -0.61856723 1.7158993 -0.84664426\n -2.27810914 -0.66337642 3.02304696 0.98151763 2.2529314\n -1.65189791 2.39492751 3.05300317]\",[-71.22456713],81603,500,Maximum number of iterations has been exceeded.,False,1175,6.423084654654774,6d1u,67.93871693952316,5.440000057220459,96,47,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 14, 15), (10, 14, 15, 16), (14, 15, 16, 17), (20, 19, 16, 15), (19, 20, 21, 22), (20, 21, 26, 27), (21, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 33, 34), (28, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (42, 41, 35, 34), (34, 37, 38, 39), (41, 42, 43, 44), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 54, 55), (50, 54, 55, 56), (54, 55, 56, 57), (54, 55, 58, 59), (61, 60, 56, 55), (60, 61, 62, 63), (61, 62, 67, 68), (62, 67, 68, 69), (67, 68, 69, 70), (72, 71, 68, 67), (68, 69, 77, 78), (73, 72, 71, 68), (69, 77, 78, 79), (77, 78, 79, 80), (77, 78, 81, 82), (78, 79, 83, 84), (79, 83, 84, 85), (83, 84, 85, 86), (88, 87, 84, 83), (89, 88, 87, 84)]\"\n\"[-1.9493811 0.51009671 2.82251388 26.35477754 33.89033786 16.9505263\n 0.8449857 -0.7956331 3.06570076 -0.32892529 1.51337763 -1.59186542\n -3.07853461 0.52967477 -1.63364442 2.32368607 -0.36296254 -2.11368212\n 2.63229714 -0.28917065 -2.10433316 1.12750128 2.90321341]\",-82.15667931379633,81165,500,Maximum number of iterations has been exceeded.,False,595,2.7877703387642114,2q5k,206.1621754981917,11.300000190734863,46,17,\"[(1, 2, 12, 13), (6, 5, 36, 29), (2, 12, 13, 14), (2, 12, 16, 17), (12, 13, 14, 15), (13, 14, 15, 26), (24, 26, 15, 14), (14, 15, 27, 28), (23, 24, 26, 15), (15, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (5, 36, 29, 28), (29, 30, 31, 32), (30, 31, 32, 33), (34, 33, 32, 31), (38, 34, 33, 32)]\"\n\"[ 0.23225715 -1.63732202 2.7181234 142.78898128 -28.34578335\n 75.76412484 0.79149203 0.2642855 -0.40903275 2.33918282\n -2.62370154]\",[-83.40330336],25898,160,Optimization terminated successfully.,True,326,0.6628897656040478,2b5j,71.9335519365498,9.100000381469727,22,5,\"[(2, 1, 0, 12), (13, 12, 0, 1), (1, 9, 10, 11), (15, 16, 18, 19), (16, 18, 19, 21)]\"\n\"[ -2.17656032 -1.14931383 -0.67335536 -34.44205235 41.60968304\n -6.92085215 -1.52547811 0.83696346 2.20235037 -1.91926608]\",[-139.62903541],62614,411,Optimization terminated successfully.,True,321,1.6575159661871028,5j7b,126.8516372360231,8.300000190734863,28,4,\"[(4, 21, 3, 20), (3, 21, 4, 8), (10, 11, 14, 15), (9, 17, 14, 11)]\"\n\"[ 0.16971975 1.92101209 0.25334466 59.01404332 -1.67664579 35.42391896\n 1.1477085 -0.41651973 -1.50673556 3.09679558 0.29892264 -2.27027963]\",[-84.72849113],55016,345,Optimization terminated successfully.,True,744,2.9179027992942057,4q2k,48.42618338591873,7.480000019073486,45,6,\"[(3, 31, 32, 33), (31, 32, 34, 35), (32, 34, 35, 36), (34, 35, 36, 37), (39, 38, 35, 34), (40, 39, 38, 35)]\"\n\"[ 2.11097509 2.70472182 -0.93462795 49.59769468 60.40897878 17.0745814\n 1.6448679 0.85072131 -2.09419153 -2.77520018 -2.63723121 -0.25711641\n -1.91515024]\",[-81.42410774],80270,500,Maximum number of iterations has been exceeded.,False,396,1.933458433283189,1v7a,91.76204755854486,8.010000228881836,25,7,\"[(0, 1, 8, 9), (0, 4, 5, 6), (1, 8, 9, 10), (1, 8, 11, 12), (8, 11, 12, 14), (23, 14, 12, 11), (22, 23, 14, 12)]\"\n\"[ -0.29649959 -0.61541418 -1.83182366 3.83902086 -26.99745323\n -59.54444799 0.0900472 -1.48826697]\",[-86.50437831],11244,68,Optimization terminated successfully.,True,194,1.2668310946557961,5odu,65.96653654649495,3.2799999713897705,13,2,\"[(1, 0, 7, 6), (3, 4, 5, 12)]\"\n\"[-0.52237874 1.70825712 -0.25457642 21.35189187 13.0908389 31.88913647\n -1.55244195 -1.96321469 -1.02332994 -2.72389444 0.75748905]\",[-130.6462917],26514,164,Optimization terminated successfully.,True,485,2.1852256602884124,1yqj,128.2499963229526,8.140000343322754,35,5,\"[(30, 31, 0, 1), (20, 19, 3, 2), (6, 5, 4, 3), (13, 18, 12, 29), (30, 29, 12, 18)]\"\n\"[-2.94452189 0.2843752 0.27486366 22.60436228 11.81756641 32.617892\n 2.30920132]\",[-72.1430169],10782,62,Optimization terminated successfully.,True,310,0.9972784771334023,1lhw,50.8491840464093,9.079999923706055,22,1,\"[(0, 10, 20, 21)]\"\n\"[-0.57236798 0.70000194 -1.35408846 7.72292289 10.28732772 34.24680474\n 0.80461109 1.96052183 -1.1866419 0.35256982 0.99145206 0.05601159\n 0.43593117 0.10067334 1.35336079 -0.56046361 2.00981386 2.89457295\n 0.53152223 -0.47482628 1.37957351 2.92485069 -0.53837097 -1.51825772\n -1.9527003 0.77881821 1.37916975 -1.57018623 -3.01042917 -0.29310186\n -2.03187763 -0.99024572 -0.45608155 1.41319301 1.02387778 1.60470298\n 0.24008529 1.9604831 1.97395246 0.63377483 2.12734963 -1.42838396\n -2.37853643 0.68576792 -1.17906625 -1.82647081 0.37299507 -3.1047939\n 0.26946692 -1.12181994 1.96704869 1.66479736 -0.96183647]\",-107.721305914498,80793,500,Maximum number of iterations has been exceeded.,False,1173,7.166688469287003,2v83,116.92349530292066,4.46999979019165,77,47,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 30, 31), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 32), (24, 30, 35, 36), (30, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 44, 45), (36, 39, 40, 41), (39, 40, 41, 42), (37, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49), (45, 46, 51, 52), (46, 51, 52, 53), (51, 52, 53, 54), (52, 53, 56, 57), (53, 56, 57, 58), (56, 57, 58, 59), (56, 57, 60, 61), (57, 58, 67, 68), (57, 60, 61, 62), (60, 61, 62, 63), (61, 62, 63, 64), (58, 67, 68, 69), (67, 68, 69, 70), (67, 68, 71, 72), (68, 71, 72, 73), (71, 72, 73, 74), (72, 73, 74, 75)]\"\n[-3.09784938 -2.50945723 0.37626229 11.79102285 1.38347404 13.45108211],[-125.30988939],9630,59,Optimization terminated successfully.,True,348,1.9114528236469959,3vhc,148.88722254833132,8.890000343322754,29,0,[]\n\"[-1.84854823e+00 2.06989196e+00 1.95486634e+00 -4.94745368e+01\n 4.51884672e+01 2.10418188e+02 2.34358642e+00 -2.36733899e+00\n 8.46650612e-01 1.14363154e+00 -4.76714508e-01 8.47209297e-02\n 2.05419242e+00 -2.17333256e+00 -3.84426677e-01 1.56253401e+00\n -1.82387379e+00 -2.16701116e+00 -2.91456750e+00 -4.83774280e-01\n 3.63000569e-01 -3.59681558e-03 5.66102922e-01 1.19763777e-01\n 1.08895309e+00 1.22767330e+00 1.12633513e-02 2.65670444e+00\n 6.32752867e-01 4.73996078e-01 -1.45119855e+00 -2.19754398e+00\n -3.09841837e-01 -3.82982221e-01 1.41595451e+00 1.30810528e+00\n -2.26970990e+00 2.43085408e+00 1.61433961e+00 3.84567347e-01\n 2.20153967e+00 8.83688624e-01 -2.07204509e+00 2.47220730e+00\n -2.28392413e+00]\",[-76.14093899],94228,500,Maximum number of iterations has been exceeded.,False,708,6.40303290221104,5vqi,99.69353852711878,6.25,63,39,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 11, 12), (7, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 20, 21), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (13, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 31, 32), (21, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (22, 31, 32, 33), (31, 32, 33, 34), (31, 32, 35, 36), (32, 33, 40, 41), (32, 35, 36, 37), (35, 36, 37, 38), (33, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 51, 52), (41, 44, 45, 46), (44, 45, 46, 47), (45, 46, 47, 48), (42, 51, 52, 53), (51, 52, 53, 54), (51, 52, 55, 56), (52, 55, 56, 57), (55, 56, 57, 58), (56, 57, 58, 59)]\"\n\"[ -0.76870114 1.84892659 -1.8220074 79.81974478 -70.07017018\n 112.42418881 1.37245332 2.27717938 1.37331999 2.33274744]\",-32.84555597929084,39531,261,Optimization terminated successfully.,True,260,2.0694818516841527,5kde,13.888901173322537,3.890000104904175,23,4,\"[(1, 10, 0, 4), (5, 8, 3, 7), (13, 12, 11, 4), (18, 17, 13, 12)]\"\n\"[ 2.03131437 -1.35633938 2.34824496 9.8676881 12.29001514 -1.80444219\n -2.4372024 -0.57349686 -2.47305175 2.65635807 1.60735913 1.18255273]\",[-208.90356699],65208,412,Optimization terminated successfully.,True,498,2.4772609982747364,2oh0,187.2130062489026,7.739999771118164,29,6,\"[(7, 9, 27, 26), (4, 14, 10, 11), (11, 12, 25, 13), (12, 25, 13, 26), (25, 13, 26, 27), (9, 27, 26, 13)]\"\n\"[ 0.57830218 -2.01514232 3.07248573 16.71121218 258.44817053\n 214.2372642 1.69674311 -2.02866618 -2.59668513 -0.52863602\n -1.94118674 2.81456199]\",-59.12898068119645,35841,227,Optimization terminated successfully.,True,523,2.401947276318803,4xcb,51.22830934378257,5.46999979019165,36,6,\"[(2, 3, 8, 9), (12, 17, 5, 0), (5, 17, 12, 11), (13, 14, 18, 19), (25, 26, 32, 33), (26, 32, 33, 34)]\"\n\"[-0.75840161 0.56119397 1.71520192 4.12415132 14.78909692 -1.89480869\n 2.53619768 1.63979626 -2.67236184 -1.52388858 0.63889216 3.07852053\n 2.47112021 -0.69544886 -2.01715118 -1.89008729 0.61709422 -1.64439785\n -3.13160273 -1.37365881 -3.12398336 0.03457013 -1.38413292 0.68446888\n 1.61199169 -2.64635821 2.65719316 2.49257 1.67742052 1.14957366\n -1.08743031 0.28037646 -1.09222808 -0.2335724 0.09366543 -1.98910887\n -1.33283295 -1.46176743 1.66276439 0.05774177 -2.11684311 1.0034656\n 2.27601806 0.11950954 -2.4110126 0.5043236 1.18462946 -1.91828182\n -1.87719545 1.51729035 1.78422914 0.66389505 1.65005169 0.23905339\n -2.41905803 -0.26921601 -1.03277995 2.34047437 -0.13472342 1.32485001\n 0.82046247 -0.99590363 1.07692888 0.27502659 1.67503833 2.78562168\n 1.53825128 -1.91301903 1.28652259 -0.87612696 -1.35042662 0.4534544\n 0.2191908 -0.40204313 2.72029176 -0.56314536 -0.79183499 0.81978681]\",[-87.74624391],86056,500,Maximum number of iterations has been exceeded.,False,1885,7.618268356037493,2mwy,35.070260447307696,6.820000171661377,128,72,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (6, 7, 10, 11), (7, 8, 15, 16), (7, 10, 11, 12), (10, 11, 12, 13), (8, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (16, 17, 24, 25), (16, 19, 20, 21), (19, 20, 21, 22), (17, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (25, 26, 31, 32), (26, 31, 32, 33), (31, 32, 33, 34), (36, 35, 32, 31), (32, 33, 42, 43), (37, 36, 35, 32), (33, 42, 43, 44), (42, 43, 44, 45), (42, 43, 46, 47), (43, 44, 48, 49), (44, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 56, 57), (49, 52, 53, 54), (50, 56, 57, 58), (56, 57, 58, 59), (56, 57, 60, 61), (57, 58, 64, 65), (57, 60, 61, 62), (58, 64, 65, 66), (64, 65, 66, 67), (69, 68, 65, 64), (65, 66, 78, 79), (70, 69, 68, 65), (66, 78, 79, 80), (78, 79, 80, 81), (78, 79, 82, 83), (79, 80, 87, 88), (79, 82, 83, 84), (82, 83, 84, 85), (83, 84, 85, 86), (80, 87, 88, 89), (87, 88, 89, 90), (87, 88, 91, 92), (88, 89, 95, 96), (88, 91, 92, 93), (89, 95, 96, 97), (95, 96, 97, 98), (95, 96, 99, 100), (104, 103, 97, 96), (96, 99, 100, 101), (103, 104, 105, 106), (104, 105, 110, 111), (105, 110, 111, 112), (110, 111, 112, 113), (110, 111, 114, 115), (111, 112, 119, 120), (111, 114, 115, 116), (114, 115, 116, 117), (112, 119, 120, 121), (119, 120, 121, 122), (119, 120, 123, 124), (120, 123, 124, 125)]\"\n\"[ -2.57561283 -1.83450261 -0.41492851 0.73443906 -14.94266316\n -12.31455526 -0.99300501 1.9826701 -1.64394669 -2.30903742\n 2.85214038 -0.61486768 0.91089067 0.40997644 -1.21057853\n 0.57959794 -3.10461351 -0.62740533 -2.01175165 1.4925291\n 0.18365574 -1.44981627 -1.46506291 -1.14909468 -0.5237042\n -3.01687571 2.94306005 0.97276977 0.218888 -2.78567196\n -1.15884256 -0.15393916 1.82077397 -1.96844356 2.22557935\n -1.66948463 -0.41028116 3.02385346 1.95749476 1.63209476\n -2.74299639 1.76948 -1.16156379 -2.65943867 2.70100231\n -1.81844428 -0.90507859 2.95158148 -1.38226868 2.57289209\n -1.21557978 -0.64630764 -1.18313238 -0.06380059 -0.34271596\n -1.48149091 1.90579546 -2.47674228 -2.0924492 0.54341067\n 1.37399167 1.11697084 -1.68088318]\",[-89.26772376],98401,500,Maximum number of iterations has been exceeded.,False,1274,7.6975229218490355,4odn,56.28165603984344,6.739999771118164,105,57,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 11, 12), (6, 5, 4, 1), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 19, 20), (12, 15, 16, 18), (13, 19, 20, 21), (19, 20, 21, 22), (24, 23, 20, 19), (20, 21, 30, 31), (25, 24, 23, 20), (21, 30, 31, 32), (30, 31, 32, 33), (31, 32, 34, 35), (32, 34, 35, 36), (34, 35, 36, 37), (35, 36, 39, 40), (36, 39, 40, 41), (39, 40, 41, 42), (39, 40, 43, 44), (40, 41, 50, 51), (40, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47), (41, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55), (51, 52, 58, 59), (51, 54, 55, 56), (52, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 60, 67, 68), (59, 62, 63, 64), (62, 63, 64, 65), (63, 64, 65, 66), (60, 67, 68, 69), (67, 68, 69, 70), (67, 68, 71, 72), (68, 69, 74, 75), (69, 74, 75, 76), (74, 75, 76, 77), (79, 78, 75, 74), (75, 76, 84, 85), (80, 79, 78, 75), (76, 84, 85, 86), (84, 85, 86, 87), (84, 85, 88, 89), (85, 86, 92, 93), (85, 88, 89, 91), (86, 92, 93, 94), (92, 93, 94, 95), (97, 96, 93, 92), (98, 97, 96, 93)]\"\n\"[ -1.74416518 -1.0242844 -2.73885802 27.99694216 -17.50536302\n 34.03879549 -1.86784633 -2.65726916 -1.06875074 -0.10375322\n 0.58256267 -2.82540544 -2.3908312 -1.6194052 1.61572534]\",[-201.56975009],47736,307,Optimization terminated successfully.,True,459,2.5283109813643283,3ddp,182.26664911505858,7.139999866485596,32,9,\"[(13, 0, 12, 7), (2, 3, 18, 19), (1, 14, 5, 6), (11, 7, 10, 9), (10, 7, 11, 8), (0, 12, 7, 10), (20, 19, 18, 3), (21, 20, 19, 18), (27, 26, 23, 22)]\"\n\"[ 0.21204666 0.62152386 -2.72407322 -2.60969304 12.66809831 -7.05516842\n 1.64784557 0.51046129]\",[-61.81106625],23696,153,Optimization terminated successfully.,True,325,1.0030960867388707,4crl,51.544161286975836,9.710000038146973,35,2,\"[(4, 3, 1, 0), (26, 25, 21, 19)]\"\n\"[-9.74071098e-01 -2.13215715e-01 -3.66112763e-02 5.79084297e+01\n 7.43240338e+01 2.03235604e+01 1.57453236e+00 2.66133837e+00\n -3.54300162e-01 9.17672979e-01]\",[-205.17554715],12638,79,Optimization terminated successfully.,True,359,0.9949948585533259,1y6q,176.59748988349241,11.699999809265137,20,4,\"[(7, 6, 5, 4), (8, 7, 6, 5), (11, 10, 9, 8), (1, 11, 10, 9)]\"\n\"[ 0.63355429 0.8392568 2.27066816 2.32579733 72.40555545 67.72758448\n -1.56172795 -0.26227027 -2.23439191 -1.90118419 0.24670673 0.6114392\n -0.93541365 -0.38412553 -0.60562859 2.14386358]\",[-226.54545399],76645,469,Optimization terminated successfully.,True,723,3.9552592599129945,1q6m,136.77192126383906,7.889999866485596,46,10,\"[(2, 1, 0, 14), (1, 0, 14, 15), (4, 6, 7, 8), (6, 7, 10, 11), (16, 15, 14, 0), (30, 29, 14, 0), (38, 37, 14, 0), (17, 16, 15, 14), (19, 21, 22, 23), (21, 22, 25, 26)]\"\n\"[ 0.72475043 2.46594009 1.25961499 -3.92102246 4.5298213 15.81660653\n -2.55045763 -1.73907055 0.91649263 2.53680726 -0.30205463]\",[-72.77433879],30288,191,Optimization terminated successfully.,True,246,1.04180109701068,5flq,57.34975905541767,2.9700000286102295,18,5,\"[(2, 3, 6, 7), (8, 7, 6, 3), (9, 8, 7, 6), (10, 11, 14, 15), (11, 14, 15, 16)]\"\n\"[ 0.55240645 -2.82918389 1.06064035 16.27934324 10.83034123 28.54386544\n -2.11900638 -1.75297632 -2.31282423 -2.08294812 -1.20500861 1.85133376]\",[-102.76130138],27859,164,Optimization terminated successfully.,True,270,1.5030173818744466,1g98,91.02853123549812,5.699999809265137,15,6,\"[(0, 1, 3, 5), (1, 3, 5, 7), (3, 5, 7, 9), (5, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 14)]\"\n\"[ 3.02872268 0.64701426 -0.08479239 -4.34261023 2.55662124 15.07261149\n -0.68466821 -0.84164196 0.1846239 ]\",[-102.27221805],14656,91,Optimization terminated successfully.,True,292,1.0698993503444687,2pow,69.73999945301333,7.199999809265137,19,3,\"[(0, 1, 6, 7), (3, 4, 15, 16), (0, 5, 10, 11)]\"\n\"[-0.52881201 -3.08009587 1.09627048 14.28037106 12.5558693 40.81870652\n -0.18805448]\",-62.25253065165528,14644,93,Optimization terminated successfully.,True,226,0.10937074188157582,3pch,53.717336630610866,5.400000095367432,11,1,\"[(5, 4, 12, 13)]\"\n\"[ -2.82259304 -0.30610363 2.89638638 2.76539041 -19.49608099\n -4.64939436 -2.38830275 1.1098266 ]\",-67.34708750149886,16301,105,Optimization terminated successfully.,True,184,0.9420265140658444,4qem,56.07748300074341,7.800000190734863,12,2,\"[(1, 0, 3, 4), (6, 5, 4, 3)]\"\n\"[ 1.27578766 -1.71071775 0.05841224 -23.54414804 21.96134139\n -19.9010933 -1.2298172 2.78183826 3.0870781 0.62875383\n 1.58866668 -1.73284062]\",[-198.24011675],14885,90,Optimization terminated successfully.,True,340,0.7795752082887266,2xkf,195.93675229975963,6.059999942779541,28,6,\"[(3, 2, 1, 0), (6, 5, 4, 3), (12, 11, 10, 8), (13, 14, 15, 16), (21, 22, 23, 24), (2, 25, 26, 27)]\"\n\"[ 0.84853218 -2.56093123 1.60052802 36.0483201 -14.5995942\n 26.98620788 1.94381147 -0.09964814 0.28749614]\",[-211.79004243],14064,87,Optimization terminated successfully.,True,392,1.172624676605072,4hgl,198.8090856129634,8.100000381469727,28,3,\"[(3, 24, 0, 22), (1, 2, 27, 15), (2, 21, 10, 11)]\"\n\"[ 1.55613209 2.69363371 1.17947181 19.31581952 -34.85563068\n -5.67161043 1.72464696 1.69122242 2.14066371 0.28267328]\",[-105.6177426],12942,80,Optimization terminated successfully.,True,257,1.6837721738490115,2xxt,87.93900230553987,8.050000190734863,15,4,\"[(0, 4, 10, 11), (4, 5, 6, 8), (5, 6, 8, 12), (1, 7, 9, 2)]\"\n\"[ 2.19086341 1.02131337 1.78216088 4.28769966 13.04872797 45.95061054\n 0.47561679 -0.74539043 0.83844903 0.29697846]\",[-106.3188535],40996,266,Optimization terminated successfully.,True,281,1.49877786590554,5c2a,90.7113757692222,8.319999694824219,20,4,\"[(12, 0, 19, 7), (4, 5, 7, 19), (0, 19, 7, 5), (2, 14, 11, 9)]\"\n\"[ 0.39039542 0.51932782 -1.71174596 -5.41709304 15.82500412 2.00000575\n -0.26004173 -1.06402434 -0.62100871 2.83329843 0.370312 1.98868568\n -2.60431094 0.68522773 -0.20165103 2.19598668]\",[-105.13849187],81503,500,Maximum number of iterations has been exceeded.,False,448,2.069800264574407,6b4u,112.79912242087738,7.679999828338623,41,10,\"[(8, 10, 30, 31), (10, 12, 26, 37), (11, 24, 23, 9), (21, 25, 40, 34), (10, 30, 31, 34), (30, 31, 34, 40), (36, 33, 32, 35), (11, 35, 32, 33), (13, 36, 33, 32), (25, 40, 34, 31)]\"\n\"[-2.21823067 2.32708113 -0.96716602 20.85433831 18.66018402 9.9827173\n 3.02452852 3.10335434 -0.4263087 ]\",[-80.23155616],13879,82,Optimization terminated successfully.,True,261,2.5356221401342167,5mw6,60.11012871813995,4.730000019073486,22,3,\"[(1, 12, 0, 3), (6, 16, 2, 1), (2, 16, 6, 20)]\"\n\"[-2.97966078 -0.48371914 -1.23658172 32.19758953 40.77596257 1.25599937\n -1.03130965 0.15720119 -0.32455423 1.16027683 1.3598166 1.6541825\n -0.48742127 -1.67377431 2.53689865 2.20364754 1.96516619 1.29532582\n -1.19539128 -1.53174608]\",[-139.94973857],82848,500,Maximum number of iterations has been exceeded.,False,460,1.948438634117421,2oah,152.14265161766156,7.960000038146973,34,14,\"[(1, 0, 28, 29), (1, 2, 10, 11), (3, 4, 6, 7), (4, 6, 7, 8), (2, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 23), (19, 14, 12, 11), (12, 13, 23, 25), (18, 19, 14, 12), (13, 23, 25, 26), (23, 25, 26, 27), (32, 29, 28, 0), (30, 32, 29, 28)]\"\n\"[ 1.25312043 -1.63227928 0.37585932 -8.47576327 -16.62531516\n 16.67085332 1.3071957 -2.78442317 2.60251306 -0.34606228\n 2.78739007]\",[-75.09765402],34054,216,Optimization terminated successfully.,True,307,0.9073443559932428,5e13,61.45127776547015,4.239999771118164,32,5,\"[(15, 16, 5, 1), (5, 16, 15, 9), (21, 20, 19, 1), (20, 23, 24, 25), (0, 28, 27, 21)]\"\n\"[-9.41789761e-01 -3.04584810e+00 2.67733812e+00 7.38422183e+01\n 1.34310449e+00 5.54265285e+00 -7.82111940e-01 1.05653697e+00\n -1.84709819e+00 -2.18057612e+00 -2.88430975e+00 1.65075496e+00\n 1.19468248e-01 1.31698900e+00 -2.49150603e+00 2.18737994e+00\n -6.69309151e-02]\",-176.15453050632647,68769,446,Optimization terminated successfully.,True,768,3.5826408520199498,3h0a,109.32817815080918,7.480000019073486,40,11,\"[(26, 25, 1, 21), (28, 29, 3, 30), (9, 8, 36, 35), (11, 13, 14, 37), (15, 16, 18, 19), (20, 19, 18, 16), (0, 20, 19, 18), (27, 26, 25, 1), (26, 28, 29, 3), (6, 34, 35, 36), (8, 36, 35, 34)]\"\n\"[-1.44747177 -0.33589035 0.94425453 3.62042427 45.54450408 3.35860202\n 2.15070252 1.50289553 -2.98310828]\",[-53.37528278],20107,128,Optimization terminated successfully.,True,247,1.3013183481517063,1rdn,32.4763032844842,1.840000033378601,15,3,\"[(0, 1, 8, 6), (3, 4, 5, 13), (1, 8, 6, 14)]\"\n\"[-1.78691032 -0.17658493 3.12597868 19.4511943 19.88856071 23.19570019\n -1.16015997 0.03897657 2.12464038 1.03981972 -1.36973027]\",[-61.14149586],27304,171,Optimization terminated successfully.,True,252,1.7850170148120212,1x07,54.55667522369526,3.2799999713897705,14,5,\"[(2, 0, 1, 6), (1, 0, 2, 3), (0, 1, 6, 7), (1, 6, 9, 10), (6, 9, 10, 11)]\"\n\"[ 1.97980065 -0.92410453 0.42010931 110.3322867 -60.88296177\n -13.80310958 0.6216688 -0.7994809 -1.14963279 1.51455085\n -2.91154175 -2.44137258 0.78576405 2.0693268 -1.80992264\n 1.21516304 -2.21287924 1.45905241 -0.73640735 2.28653771]\",[-59.88210286],80811,500,Maximum number of iterations has been exceeded.,False,409,2.925782762588554,4dwk,38.85145573740388,6.21999979019165,29,14,\"[(19, 1, 2, 3), (2, 1, 19, 20), (1, 2, 3, 13), (2, 3, 13, 4), (14, 4, 13, 3), (13, 4, 14, 15), (6, 5, 15, 14), (13, 9, 11, 10), (11, 9, 13, 3), (5, 15, 14, 4), (1, 19, 20, 21), (25, 24, 19, 1), (19, 20, 22, 23), (26, 25, 24, 19)]\"\n\"[-1.48030629 2.24917851 -0.06210175 -6.10891629 9.93487868 -1.08228015\n -1.4167316 -1.4719185 -1.30240075 0.66526215 -0.59124111 1.40048102\n -1.56942968 -0.39993664]\",[-222.52834484],32687,202,Optimization terminated successfully.,True,416,4.114368472636644,3vqh,169.74744820726494,5.920000076293945,27,8,\"[(1, 0, 10, 11), (0, 10, 13, 14), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (21, 20, 19, 18)]\"\n[-0.50708356 -2.45176408 0.56599556 62.41184449 60.94489259 -1.98828411],-54.190171943429874,9147,59,Optimization terminated successfully.,True,198,6.846195735529714e-05,4k60,44.48061850548284,3.240000009536743,11,0,[]\n\"[ -1.34445012 0.31253861 0.93851551 50.14622798 -20.69242682\n -8.97289285 1.37110071 -0.35414201 2.0246359 ]\",-59.954810660603556,13980,89,Optimization terminated successfully.,True,242,0.8211297694581342,4pb1,46.5922080360526,2.819999933242798,17,3,\"[(9, 8, 0, 1), (1, 2, 7, 3), (11, 13, 15, 16)]\"\n\"[ 1.52455798 -0.06875336 -0.19262075 20.30526119 10.28891947 10.19266074\n -0.59096712 -1.86267605 -0.92423482 -2.68918913]\",[-129.32570052],20055,125,Optimization terminated successfully.,True,426,1.1193155260781251,5a0c,110.62892515283734,9.270000457763672,32,4,\"[(5, 4, 1, 0), (13, 12, 11, 4), (23, 22, 21, 14), (23, 27, 28, 29)]\"\n\"[ -1.90745073 -0.52303903 -2.99458681 -16.6569275 -27.40446566\n 21.55351053 -0.65176116 1.70465186 -2.32528328 0.17824924\n -2.64838073]\",[-91.64721884],37018,234,Optimization terminated successfully.,True,390,2.125723322815084,5k0m,76.75067352871024,8.819999694824219,34,5,\"[(17, 10, 0, 2), (8, 1, 29, 30), (5, 4, 3, 2), (3, 21, 22, 23), (9, 27, 26, 6)]\"\n\"[-0.51061746 0.10748705 -0.45067198 19.27093902 1.91528081 8.47219562\n 0.06548742 0.48853362 -1.62045432 2.69731379 1.2127733 -0.10854742\n -2.77477923]\",-168.7305887453463,43506,276,Optimization terminated successfully.,True,377,1.2479888633063125,5f4n,155.14368068040523,8.65999984741211,27,7,\"[(13, 23, 2, 4), (18, 3, 17, 1), (4, 5, 10, 6), (11, 7, 6, 10), (5, 10, 6, 7), (2, 23, 13, 12), (0, 20, 17, 1)]\"\n\"[-2.72335271 -1.38501335 0.35975807 20.30426455 10.52842386 10.36730855\n -1.89513332 3.08479908 0.39945363 -0.65603033 -1.57449742 -0.75115413\n 1.08273219 2.56769563 -1.6906335 0.05900158 -2.27560258 -1.84182347\n -1.43334423 -3.09768974 1.2292176 -2.92467168 -2.570236 0.05816978\n 0.14648036 -1.27928256 -0.90847226 -0.70000832 1.08626746 0.67738617\n -0.95449424 2.48906485 0.89930847 -1.38984318]\",[-81.43843582],87375,500,Maximum number of iterations has been exceeded.,False,719,6.192043008788409,4y3b,71.68984484668744,4.869999885559082,58,28,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 11, 12), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (19, 18, 13, 12), (18, 19, 20, 21), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 28, 31), (27, 28, 31, 32), (26, 29, 35, 36), (29, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (44, 43, 37, 36), (36, 39, 40, 41), (43, 44, 45, 46), (44, 45, 50, 51), (45, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55)]\"\n\"[-2.04903931 0.18975211 2.74105981 61.93991212 35.31626788 25.4191494\n -0.47089499 0.39072863 -1.36529385]\",[-184.5396776],14963,90,Optimization terminated successfully.,True,283,0.764203082954329,6eln,168.79429670306016,6.050000190734863,22,3,\"[(13, 5, 2, 1), (8, 6, 3, 2), (9, 10, 20, 21)]\"\n\"[ -1.62101913 -1.16986602 -1.32900465 -10.28530036 22.20222657\n 40.02513664 -3.11635212 -2.48294726 1.23104614 1.29939083\n -0.79261401 -0.12408882 -1.70500715 0.08664956]\",[-105.27849837],56887,357,Optimization terminated successfully.,True,424,3.6399418092151365,1e34,86.81974558723628,2.880000114440918,21,8,\"[(6, 0, 1, 2), (0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 3, 7), (1, 2, 9, 10), (2, 9, 10, 13), (9, 10, 13, 11), (15, 14, 13, 10)]\"\n\"[-2.38527526 -1.51410143 2.91026352 10.09269437 22.18909868 9.79942228\n 2.30993781 -1.81228606 0.54987681 2.98540744 1.0928682 -2.12852346\n -1.80923447 -2.07740824]\",[-108.05810192],53015,334,Optimization terminated successfully.,True,392,1.8179990135654127,5wzu,108.32353468904716,7.0,31,8,\"[(0, 1, 3, 4), (5, 4, 3, 1), (6, 5, 4, 3), (10, 11, 12, 13), (11, 12, 14, 15), (21, 20, 19, 9), (22, 21, 20, 19), (21, 26, 27, 28)]\"\n\"[ 3.11829621 1.17920513 0.68917482 21.45848328 7.9599903 19.5999234\n -0.23372729]\",-102.80091057257007,9100,57,Optimization terminated successfully.,True,315,1.0909901307604868,4dgm,74.96216889381381,5.920000076293945,20,1,\"[(8, 7, 6, 0)]\"\n\"[-2.11827709 0.68629119 -0.04936312 30.94686006 18.45361084 23.94212216\n 1.14968999 1.19909185 -0.53321961 -1.98236013 2.48054003 0.08231687\n -2.35862986 1.86503073 -1.92449357 -1.79926894 -0.72395084]\",-71.17159543810155,77031,500,Maximum number of iterations has been exceeded.,False,492,4.3569112858851335,4ayy,113.78329321531504,8.170000076293945,41,11,\"[(2, 1, 0, 17), (1, 0, 17, 15), (18, 10, 11, 12), (11, 10, 18, 19), (10, 11, 12, 13), (10, 11, 14, 15), (32, 31, 12, 11), (11, 14, 15, 16), (14, 15, 17, 0), (21, 22, 18, 10), (31, 32, 37, 38)]\"\n\"[ 1.53807678 -0.26117533 -1.02250527 11.33906475 7.10275823 23.81143732\n 0.16388958 -1.82387735 0.87411012 1.82132622]\",[-177.56894953],37118,240,Optimization terminated successfully.,True,308,1.2602875244643115,1o3p,168.0381264290803,6.659999847412109,25,4,\"[(1, 0, 6, 7), (13, 12, 11, 9), (21, 17, 16, 15), (22, 21, 17, 16)]\"\n\"[ -0.92538678 -1.18178113 2.56448074 -30.9259665 0.15717307\n -21.97737244 2.28379716 -2.37729129 -1.560121 2.36234138\n -1.64913654 -0.78828154]\",[-87.50590719],79534,500,Maximum number of iterations has been exceeded.,False,416,3.7899610350178765,5i2f,76.74245064618103,6.489999771118164,26,6,\"[(22, 0, 19, 18), (19, 0, 22, 21), (12, 11, 10, 4), (14, 16, 18, 19), (16, 18, 19, 0), (20, 21, 22, 0)]\"\n\"[ 2.93041508e-01 -2.93714933e+00 -1.42136674e-01 5.93700719e+01\n 3.29264133e+01 2.41479858e+01 2.86865165e+00 -3.06680938e-01\n 2.08882621e+00 -1.58580645e+00 -2.44690998e+00 -2.64181407e+00\n 2.56951688e+00 -2.30311075e-02 -6.47841739e-03]\",[-60.20233292],76782,500,Maximum number of iterations has been exceeded.,False,512,2.832398014627337,1t4j,62.01851084172912,5.099999904632568,41,9,\"[(4, 3, 1, 0), (10, 9, 1, 0), (5, 4, 3, 1), (11, 14, 15, 16), (14, 15, 16, 17), (20, 19, 16, 15), (24, 26, 30, 31), (23, 27, 28, 29), (33, 32, 30, 26)]\"\n\"[ -1.54607859 -0.23103374 2.94912035 -41.24396373 -2.13109659\n 1.58149217 0.21569137 -0.6028771 1.9796919 0.11971861\n 1.30488833]\",[-91.00766303],16772,103,Optimization terminated successfully.,True,341,1.2062798492022617,3uix,73.95163279783874,6.820000171661377,22,5,\"[(8, 7, 4, 3), (8, 9, 17, 18), (9, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21)]\"\n\"[ 1.4868619 2.04639442 2.37148952 45.36776372 42.81948778 78.20526086\n 0.93265729 0.52467714]\",[-53.99188865],17959,112,Optimization terminated successfully.,True,194,0.40222147980212264,4urx,43.11673260063904,2.890000104904175,13,2,\"[(5, 6, 1, 7), (1, 6, 5, 4)]\"\n\"[-1.51964807 2.07589444 2.55364194 21.5227685 64.83004544 10.01043598\n -0.29026889 1.74404033 -0.34514109 -0.95966583 1.41106569]\",[-73.28072838],28162,174,Optimization terminated successfully.,True,361,1.1478752665097858,4nyf,58.74701399923168,7.309999942779541,27,5,\"[(18, 17, 3, 2), (3, 4, 10, 11), (4, 10, 11, 12), (4, 10, 14, 15), (10, 14, 15, 24)]\"\n\"[ 9.42618685e-02 -1.49091116e-02 1.11142148e-03 -2.58628109e+01\n -1.79660928e+01 1.55900266e-01 8.18327457e-01 -3.75960238e-01\n 1.49053203e+00 1.24558209e+00 -3.04168362e+00 -3.13713383e+00\n 2.94258682e+00 -1.97778224e+00 2.37691566e+00 -2.38053483e-01\n 1.77644997e+00 -1.43052355e+00]\",[-163.71904134],82321,500,Maximum number of iterations has been exceeded.,False,543,4.810703792349663,6g3o,120.05008296818411,9.239999771118164,29,12,\"[(12, 1, 2, 4), (11, 12, 1, 2), (1, 2, 4, 6), (2, 4, 6, 7), (4, 6, 7, 8), (6, 7, 8, 13), (7, 8, 13, 15), (18, 17, 10, 9), (0, 11, 12, 1), (19, 18, 17, 10), (20, 21, 24, 25), (21, 24, 25, 26)]\"\n\"[ -1.02805952 2.44179608 1.17664584 17.05315143 -2.5794369\n -22.6095997 -0.39173771 2.54694872 2.23853748 -1.79357623\n 0.85350194 0.08984232 1.72165331 0.70339646 -0.49555078\n 1.44099596 1.19254792 1.17797997 -0.10350821 -2.58167096\n -1.69823926 -0.65743214 1.1110722 2.61296646 1.06104997\n -0.11056743 1.61404619 -0.7737849 0.59981492 -2.48506541\n -0.04108692 -2.68957303 -1.81089096 2.17736645 -0.52471121\n 0.36462524 -2.37273567 2.06972544 2.2406487 1.18117239\n 1.27494212 0.44818843 -0.08916575 3.09421699 -2.51330253\n 0.11158651 0.96466244 0.18957829 0.11685733 2.90791742\n -0.04189158 1.93861237 0.39654253 0.23890161 1.77523989\n 2.6455171 -0.3279896 1.1454814 -2.46966417 1.41900034\n -1.5825596 -0.8683766 1.57695487 1.57805498 -0.10894705\n -1.65692275 -0.65969183 -2.73410194 2.67286409 0.29435181]\",[-95.58363095],109257,500,Maximum number of iterations has been exceeded.,False,1396,5.812595709556137,5cil,71.01116769811009,7.389999866485596,130,64,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (13, 12, 9, 8), (9, 10, 22, 23), (14, 13, 12, 9), (10, 22, 23, 24), (22, 23, 24, 25), (27, 26, 23, 22), (23, 24, 33, 34), (28, 27, 26, 23), (24, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 41, 42), (34, 37, 38, 39), (35, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 49, 50), (42, 45, 46, 48), (43, 49, 50, 51), (49, 50, 51, 52), (49, 50, 53, 54), (50, 51, 56, 57), (51, 56, 57, 58), (56, 57, 58, 59), (56, 57, 60, 61), (57, 58, 64, 65), (57, 60, 61, 62), (58, 64, 65, 66), (64, 65, 66, 67), (69, 68, 65, 64), (65, 66, 78, 79), (70, 69, 68, 65), (66, 78, 79, 80), (78, 79, 80, 81), (78, 79, 82, 83), (79, 80, 86, 87), (79, 82, 83, 84), (80, 86, 87, 88), (86, 87, 88, 89), (91, 90, 87, 86), (87, 88, 100, 101), (92, 91, 90, 87), (88, 100, 101, 102), (100, 101, 102, 103), (105, 104, 101, 100), (101, 102, 112, 113), (106, 105, 104, 101), (102, 112, 113, 114), (112, 113, 114, 115), (112, 113, 116, 117), (113, 114, 120, 121), (113, 116, 117, 119), (114, 120, 121, 122), (120, 121, 122, 123), (120, 121, 124, 125), (121, 124, 125, 126), (124, 125, 126, 127), (125, 126, 127, 128)]\"\n\"[ 0.68425624 2.39714688 -1.11682038 -8.45508727 10.47177302\n -26.04596987 0.68023076 0.22737807 1.23915543 0.50856515\n -1.20060056 -0.69376317 -2.5999865 ]\",-59.6103940581015,78450,500,Maximum number of iterations has been exceeded.,False,293,0.9477243482092442,5ekn,50.821984168424315,5.71999979019165,27,7,\"[(3, 2, 1, 0), (14, 13, 1, 0), (4, 3, 2, 1), (4, 5, 6, 7), (15, 14, 13, 1), (21, 20, 17, 16), (22, 21, 20, 17)]\"\n\"[ -0.21347448 1.12557803 2.89731624 -21.94924076 53.50524007\n 50.18277629 2.60672396 2.97036306 -0.07880297 0.28329339\n -1.40637433]\",[-101.11243753],34214,214,Optimization terminated successfully.,True,429,1.3601030764281548,4jju,98.99838196343963,6.289999961853027,31,5,\"[(9, 6, 5, 0), (8, 9, 6, 5), (20, 19, 13, 12), (21, 20, 19, 13), (20, 25, 26, 18)]\"\n\"[-0.8544399 -0.33140198 -3.01032447 20.92260136 6.50014455 -4.83718134\n 1.47235999 -0.93723649 2.22040351 2.03237744 2.65289678 -2.1491744\n 0.2776473 -0.05875225]\",[-117.53626774],19920,119,Optimization terminated successfully.,True,402,1.8873785789982378,2hqu,96.09799917695462,5.139999866485596,28,8,\"[(9, 8, 7, 3), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 19, 20), (16, 19, 20, 21), (19, 20, 23, 24), (20, 23, 24, 25)]\"\n\"[ -0.88842243 0.38877233 -1.37535777 -15.82972666 22.44918371\n -15.10777437 -1.49076291 -0.38984695 0.40821788 -0.85122015\n -1.80767859 -0.82924294 1.01366829 2.64662282 -1.78193431\n 0.78375066 -1.82342647]\",[-77.44226518],80469,500,Maximum number of iterations has been exceeded.,False,369,2.680359089810278,5yh8,75.03954286924326,6.78000020980835,23,11,\"[(0, 1, 3, 4), (1, 3, 5, 6), (3, 5, 6, 7), (5, 6, 7, 8), (5, 6, 10, 11), (6, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (18, 17, 13, 12), (19, 18, 17, 13)]\"\n\"[ 8.83622323e-01 1.23429585e-02 9.65874105e-01 3.12267343e+00\n 3.20647846e+00 1.47357056e+01 -2.60578509e+00 -5.43397220e-01\n -1.00636394e+00 8.18217240e-01 9.38514863e-01 -3.07386219e-01\n -8.57641687e-01 2.63865296e+00 -5.78878103e-01 -6.81720759e-01\n -1.19051148e+00 7.26770483e-01 -2.34412972e-01 -1.41728789e+00\n -1.85056724e+00 6.70738261e-01 -5.03113435e-01 1.94514153e+00\n -1.27090829e+00 -3.10406095e-01 2.03865369e+00 -1.56563932e+00\n -5.32957134e-01 2.59140186e+00 -2.02605395e+00 -2.99361261e+00\n -1.95355161e+00 1.16929347e+00 4.23971868e-01 -4.13934725e-01\n 1.76015925e+00 -4.58503329e-01 -2.56873232e+00 -2.66985690e+00]\",[-101.13661212],83481,500,Maximum number of iterations has been exceeded.,False,700,4.9731109262210405,3hlo,243.32695004134303,6.210000038146973,54,34,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 10, 11), (5, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 17), (12, 18, 19, 20), (18, 19, 20, 25), (18, 19, 21, 22), (19, 20, 25, 26), (19, 21, 22, 23), (21, 22, 23, 24), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 33, 34), (26, 29, 30, 31), (29, 30, 31, 32), (27, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 42, 107), (34, 37, 38, 39), (37, 38, 39, 40), (35, 42, 107, 43), (44, 43, 107, 42), (107, 45, 46, 47), (46, 45, 107, 43), (45, 46, 47, 48), (46, 47, 48, 49)]\"\n\"[-2.59758566e+00 -1.65364845e+00 -2.19884234e+00 -2.53225235e+01\n 3.14430476e+00 1.33043662e+00 -1.66534088e+00 -6.92489701e-01\n -1.99911980e+00 -2.02750658e+00 1.48009314e+00 -4.98120942e-01\n -1.93668345e+00 -1.69768898e+00 2.72042362e+00 -8.31490278e-01\n -2.87442644e+00 5.48078800e-01 -4.78044189e-01 1.70592867e-01\n -1.32210220e+00 -1.46657331e+00 -2.24225856e+00 6.27612251e-01\n -3.30960220e-01 -1.47424794e+00 -2.44110108e+00 -2.38761232e-02\n 1.83299862e+00 3.75461801e-01 -2.89636307e+00 6.32677815e-01\n -1.87946593e+00 1.67619016e-02 -2.36302712e+00 -1.41000791e+00\n -2.60885784e+00 2.37974468e+00 2.88223996e-01 1.71299499e+00\n -2.78009568e+00 1.97467187e-02 -2.67115027e-01 1.42122107e+00\n 1.66822768e+00]\",[-94.02176156],96160,500,Maximum number of iterations has been exceeded.,False,1052,6.370827297310495,2xzq,45.745743463546475,6.590000152587891,74,39,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 12, 13), (6, 5, 4, 1), (2, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (13, 14, 21, 22), (13, 16, 17, 18), (16, 17, 18, 19), (14, 21, 22, 23), (21, 22, 23, 24), (22, 23, 26, 27), (23, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (38, 37, 28, 27), (27, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34), (37, 38, 39, 40), (38, 39, 44, 45), (39, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49), (45, 46, 52, 53), (45, 48, 49, 50), (46, 52, 53, 54), (52, 53, 54, 55), (53, 54, 57, 58), (54, 57, 58, 59), (57, 58, 59, 60), (57, 58, 61, 62), (58, 59, 66, 67), (58, 61, 62, 63), (61, 62, 63, 64), (59, 66, 67, 68), (66, 67, 68, 69), (66, 67, 70, 71)]\"\n\"[ 1.66582917e+00 -4.60136080e-01 -2.67623300e+00 4.99895601e+00\n -2.56521709e+01 2.06780011e+02 2.16430684e+00 -7.10393339e-01\n 2.78811138e+00 1.23084702e+00 2.51571227e+00 -6.69847432e-01\n -2.92907584e-02]\",[-74.54513136],40010,250,Optimization terminated successfully.,True,420,2.1699137891070572,5hkb,53.33423583715374,5.590000152587891,26,7,\"[(24, 0, 23, 1), (2, 21, 1, 22), (21, 1, 23, 0), (3, 2, 21, 1), (6, 15, 5, 4), (5, 15, 6, 7), (9, 16, 11, 17)]\"\n\"[ 0.15448857 0.37420509 0.77618749 12.0964356 -6.22582325 12.37983189\n 2.66556659 -2.93038336 1.34977051 -0.76722686]\",-144.88925995996334,29331,193,Optimization terminated successfully.,True,301,1.5722687355182088,3pa3,138.50885171302417,9.0,26,4,\"[(18, 10, 1, 0), (3, 5, 11, 24), (12, 9, 8, 4), (13, 12, 9, 8)]\"\n\"[ 1.79102107 -2.30240011 2.07309123 30.25231593 14.10099127 -5.67431717\n 0.18295115 -0.43984134 -0.49896767]\",[-195.52530363],16300,99,Optimization terminated successfully.,True,341,1.7319166658412513,1srg,186.08939692811168,5.300000190734863,19,3,\"[(5, 0, 14, 15), (0, 1, 12, 17), (11, 6, 15, 14)]\"\n\"[ 1.22918045 -0.30879786 1.06263469 47.00025472 -20.99452937\n 22.533261 -2.87925471 -0.88085369 -2.74206142 -0.54791713\n -0.4765676 ]\",[-112.78265873],29452,183,Optimization terminated successfully.,True,419,1.5136178777544462,2i5j,17.255168481135158,6.300000190734863,25,5,\"[(7, 6, 0, 1), (0, 1, 2, 3), (20, 19, 2, 1), (8, 7, 6, 0), (7, 8, 9, 18)]\"\n\"[ 3.13480623 2.20743677 1.12390006 17.34953954 6.88283966 11.79961805\n 0.43072436 2.54155356 0.10525625]\",[-151.3389272],17930,109,Optimization terminated successfully.,True,346,1.0350780698414082,3p3h,138.21131468752253,7.440000057220459,26,3,\"[(1, 2, 6, 7), (11, 10, 5, 0), (21, 20, 11, 10)]\"\n\"[-1.96319781 2.01429834 2.72725671 33.8941419 50.8524975 52.93841689\n -2.38332591 1.69126644 -2.88156657 -1.52074752 2.67008873 -0.54871106\n 2.38505148 2.85811951 -2.22834281 -1.98692925 -1.58659391 0.09022772\n 1.66755662 2.27265334 -0.68289681]\",[-69.30098387],85466,500,Maximum number of iterations has been exceeded.,False,602,3.0154083865677697,1ynd,72.99882492312437,8.4399995803833,78,15,\"[(1, 2, 3, 4), (8, 17, 18, 19), (17, 18, 19, 20), (18, 19, 21, 22), (19, 21, 23, 24), (21, 23, 24, 25), (23, 24, 25, 26), (25, 26, 27, 28), (31, 30, 28, 27), (41, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47), (51, 52, 53, 54), (61, 60, 59, 58), (62, 61, 60, 59)]\"\n\"[ 1.95028817 -3.13040512 2.26105464 -6.15065565 1.3726374 -9.68423335\n 0.33837228]\",[-109.42834989],9444,49,Optimization terminated successfully.,True,278,0.7285634313987148,4ci3,88.47578805196171,6.809999942779541,20,1,\"[(13, 11, 7, 6)]\"\n\"[-0.47964084 0.67775226 -1.80938751 12.52201206 44.62270906 10.70890837\n -2.18693046 2.31714731 -1.23685513 1.50183198]\",[-87.07123934],24821,160,Optimization terminated successfully.,True,308,1.6908045017500652,5k32,46.05497059965076,8.800000190734863,26,4,\"[(18, 19, 0, 20), (3, 2, 1, 16), (20, 7, 21, 22), (0, 19, 18, 5)]\"\n\"[ 0.90481323 2.88046374 -3.0628942 2.97680394 -17.30539408\n 13.93749486 -1.42847018]\",[-48.68163957],11058,68,Optimization terminated successfully.,True,313,1.0304337491052848,5jcj,16.6460154107439,4.420000076293945,21,1,\"[(9, 8, 7, 0)]\"\n\"[ 3.20249926e-01 -1.32452615e+00 -5.58245873e-01 2.03152096e+01\n 1.74451933e+01 1.50518411e+01 2.99177946e+00 -2.83946670e+00\n -5.62402555e-01 2.60680154e-02 -2.81098218e+00 1.54800270e-01\n -5.83238820e-01 7.98943319e-01 -1.47816703e-02 -1.25147116e+00\n 1.15185631e+00]\",[-144.00718652],53082,339,Optimization terminated successfully.,True,497,4.017364532978427,1i7i,110.597531050378,6.699999809265137,28,11,\"[(13, 0, 1, 2), (0, 1, 2, 6), (1, 2, 6, 8), (1, 2, 3, 4), (2, 3, 4, 5), (10, 11, 14, 15), (11, 14, 15, 16), (17, 16, 15, 14), (22, 17, 16, 15), (19, 20, 23, 24), (20, 23, 24, 27)]\"\n\"[ 3.09027098 -1.85714057 -2.73078436 -18.01763099 -35.31097854\n -27.39435064]\",-47.1559743616351,12147,79,Optimization terminated successfully.,True,179,1.99216067454183e-06,4qp2,39.14673132822308,3.0299999713897705,11,0,[]\n\"[ 2.01983846 -2.24760341 -1.15020026 13.30782617 13.26068344 12.50299926\n 3.02392391 0.1560203 0.93563203 -1.04975213 1.41067349 2.66393441]\",[-110.77411082],48698,303,Optimization terminated successfully.,True,472,2.39044279555816,3drs,98.43159858885134,9.300000190734863,28,6,\"[(4, 3, 2, 1), (5, 4, 3, 2), (5, 6, 7, 8), (14, 15, 17, 18), (19, 18, 17, 15), (20, 19, 18, 17)]\"\n\"[ 0.29434509 -1.34248622 -2.34069814 20.69921993 0.25721975 6.18616111\n -2.19744086 -2.33821379 -1.07788446 1.33825596 -1.75447066 1.43985293\n 0.36295066 1.28091104 -0.80537218 -1.32769188 -2.45489527 -2.53535742\n -1.19406356 0.16385231]\",[-65.56507809],82155,500,Maximum number of iterations has been exceeded.,False,443,3.406076983998544,4jbs,95.55169790373583,7.960000038146973,36,14,\"[(4, 3, 2, 10), (3, 2, 10, 12), (2, 10, 12, 8), (8, 12, 23, 0), (11, 13, 15, 14), (11, 13, 16, 21), (23, 14, 15, 13), (15, 14, 23, 0), (13, 15, 17, 18), (13, 16, 21, 24), (15, 17, 18, 19), (16, 21, 24, 34), (26, 25, 21, 16), (27, 26, 25, 21)]\"\n\"[-0.20745208 0.54827915 1.81672769 39.36347847 31.91653605 36.3982267\n -0.93879664 2.24628062 -0.98939168 0.77279542 -2.59467172 -2.07775953\n 0.30721751 -0.26341692 -2.22699942 2.42767631 -1.74823932]\",[-181.03998496],56961,364,Optimization terminated successfully.,True,525,4.667904460195125,1i7g,126.51926276092449,6.0,28,11,\"[(13, 0, 1, 2), (0, 1, 2, 6), (1, 2, 6, 8), (1, 2, 3, 4), (2, 3, 4, 5), (10, 11, 14, 15), (11, 14, 15, 16), (17, 16, 15, 14), (22, 17, 16, 15), (19, 20, 23, 24), (20, 23, 24, 27)]\"\n\"[ 2.33583149 2.81151599 -0.94175504 31.86639534 70.54752454 7.73516693\n -2.1891573 0.73572548 -2.99577847 0.80218163 0.37050423]\",[-112.73422137],47712,305,Optimization terminated successfully.,True,433,1.4644832282788556,3g1m,110.07065427289439,6.300000190734863,24,5,\"[(0, 4, 5, 6), (4, 5, 6, 7), (9, 8, 6, 5), (15, 14, 13, 10), (20, 19, 18, 15)]\"\n\"[ -0.71234512 2.03220611 -2.25865969 -40.83057256 25.27345642\n -5.54645627 1.39770475 2.5666897 0.62091566 0.07449331\n -0.99542639 -0.41603506 -0.20379366 2.42446084 1.85583567\n -0.21146082 -0.77075907 -0.43465746 -0.40073186]\",[-59.86771384],59804,386,Optimization terminated successfully.,True,485,2.9763564829848232,6cfc,32.7450593470347,3.680000066757202,35,13,\"[(20, 6, 0, 1), (0, 1, 7, 8), (2, 3, 12, 13), (3, 4, 17, 18), (19, 20, 6, 0), (1, 7, 8, 9), (3, 12, 13, 14), (20, 19, 24, 25), (21, 22, 26, 27), (22, 26, 28, 29), (26, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32)]\"\n\"[ 1.3939282 0.30520168 -3.10895674 11.82049248 10.43471458 10.0730306\n -1.21403 -1.22374966 -0.5741551 2.5393269 ]\",[-56.59214106],15873,98,Optimization terminated successfully.,True,236,1.1388915473794552,4oq6,39.588705185312534,5.480000019073486,19,4,\"[(2, 8, 7, 0), (6, 9, 12, 16), (3, 10, 14, 15), (10, 14, 15, 13)]\"\n\"[ 8.09761997e-02 6.64409152e-01 8.35485348e-01 3.47530423e+01\n 6.37255025e+00 1.09760192e+02 1.26591884e-01 1.96027852e+00\n -2.40107009e+00 3.20935048e-01 2.98551129e+00 9.24177424e-01]\",[-46.87808816],22802,141,Optimization terminated successfully.,True,222,1.900441827493988,2yz3,29.923406699203127,6.659999847412109,15,6,\"[(0, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (8, 9, 13, 14)]\"\n\"[-3.03803904e-01 9.85299644e-01 2.16098682e+00 7.95441653e+00\n 7.67991921e+01 1.34025374e+02 1.37513278e+00 1.80719310e+00\n -1.65703232e+00 -2.62820278e-02 -1.02939523e-01 -9.78026588e-01\n -2.26889348e-01 -2.01021141e+00 8.30065615e-01 -1.08199826e+00\n 1.88142952e+00]\",-162.89059242258153,74583,484,Optimization terminated successfully.,True,501,2.802507691447728,4zyw,138.928035660075,7.170000076293945,31,11,\"[(4, 5, 28, 29), (11, 12, 16, 17), (11, 15, 30, 29), (12, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (18, 19, 25, 26), (19, 20, 21, 22), (20, 21, 22, 23), (5, 28, 29, 30), (15, 30, 29, 28)]\"\n\"[ -2.34248261 -1.45855346 -0.75324021 -14.05409468 -8.53963876\n -21.90357215 0.06420632 3.04144538 -0.57360583 -2.76567472\n -1.69576313 0.15972651 -2.40752332]\",-59.17679237558127,41790,265,Optimization terminated successfully.,True,685,2.534997843184894,2iyf,39.27296945406641,3.75,51,7,\"[(2, 3, 23, 48), (37, 16, 6, 5), (27, 17, 8, 7), (38, 37, 16, 6), (28, 27, 17, 8), (28, 29, 33, 36), (38, 39, 43, 45)]\"\n\"[ 2.35781862 -0.62805212 -1.68390005 -23.87782412 1.94077052\n 6.8098724 1.47908618 -3.05553366 -2.6661751 -0.17674194\n -0.08640022 -1.19786189 -2.39302731 1.93526177 -0.89309492]\",[-159.14979515],77278,500,Maximum number of iterations has been exceeded.,False,342,1.9283048111915273,2zdl,177.23527648425127,6.400000095367432,27,9,\"[(0, 1, 2, 3), (10, 9, 1, 0), (4, 3, 2, 1), (5, 4, 3, 2), (9, 10, 14, 15), (10, 14, 16, 17), (18, 17, 16, 14), (19, 18, 17, 16), (20, 21, 22, 23)]\"\n[-0.87449965 -0.72473547 -1.71056211 -1.86572891 4.48289728 86.08894535],-71.07142550940206,6597,42,Optimization terminated successfully.,True,157,1.1158473238196474,5wg7,43.83753278726846,4.699999809265137,10,0,[]\n\"[ 0.46997227 -1.91388999 -0.75424583 47.37922942 21.65017359 54.32443917\n -0.48529108 0.85833799 -0.5780256 2.04231197 -0.31543147 2.20657337\n -2.55990253 0.35754255 -0.41409856 0.45248879]\",[-42.93458998],39192,238,Optimization terminated successfully.,True,368,3.332561457930405,3i02,25.124576487072154,7.519999980926514,33,10,\"[(4, 3, 0, 1), (0, 3, 14, 15), (21, 22, 5, 4), (6, 8, 10, 11), (8, 10, 12, 13), (3, 14, 15, 16), (19, 18, 21, 22), (5, 22, 21, 18), (25, 27, 29, 30), (27, 29, 31, 32)]\"\n\"[ 0.27063916 -1.20748619 -2.13226242 16.74077346 5.28052589\n -28.83061438 0.98202329 2.82272127 1.04350721 0.28469429\n 0.85649146]\",-64.98941711255324,56616,365,Optimization terminated successfully.,True,389,1.8723464354419057,3iw7,53.20973209146312,5.639999866485596,23,5,\"[(6, 18, 14, 16), (4, 19, 15, 21), (10, 21, 15, 19), (8, 20, 17, 0), (12, 22, 17, 0)]\"\n\"[ 1.57068736 -2.77751707 2.33335973 16.39422287 -25.18820798\n -1.44520775 1.25336048 -1.02439144 2.30789356 -0.12622291\n 1.85204356 -1.58108532 -0.16710101 -1.64163675 -0.80389594\n -1.96196859 -2.46259931]\",[-99.63356526],74142,473,Optimization terminated successfully.,True,577,3.3890289518918797,4ode,82.79074445648763,10.0,45,11,\"[(8, 7, 6, 0), (11, 10, 9, 7), (20, 19, 18, 9), (21, 20, 19, 18), (18, 19, 23, 24), (19, 23, 24, 25), (23, 24, 27, 28), (36, 35, 33, 8), (37, 36, 35, 33), (37, 40, 41, 42), (40, 41, 42, 43)]\"\n\"[ 1.69523660e+00 -6.95319453e-03 -4.92443647e-01 -4.72360191e+01\n 2.59937021e+00 -2.83675042e+01 -8.18330873e-01 2.54257011e-01\n -2.32896831e-01 -2.05982725e+00 -9.26734408e-01 1.04375762e+00\n -1.84213959e+00 2.13460295e+00 -7.46667169e-01 -8.11385305e-01\n -2.94050760e+00]\",[-54.99854596],77211,500,Maximum number of iterations has been exceeded.,False,478,4.990487630999518,3vw0,41.103443710619764,4.670000076293945,34,11,\"[(4, 9, 29, 28), (11, 12, 20, 21), (12, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (9, 29, 28, 27)]\"\n\"[-0.06878118 -0.88871323 -1.60453075 23.62867724 40.39198468 67.00819841\n -2.14831645 2.0147649 0.6098965 0.84935691 -2.3056923 ]\",-131.7318973421151,33208,213,Optimization terminated successfully.,True,406,2.1626283686931234,2yne,129.76745706548064,8.569999694824219,30,5,\"[(9, 8, 5, 1), (10, 9, 8, 5), (15, 14, 11, 10), (24, 23, 22, 14), (25, 24, 23, 22)]\"\n\"[ -0.45985595 -0.47449859 -2.84931196 -5.88294585 -21.53746162\n 65.30211192 -1.07774314 -0.46955054 0.35806865 0.64761587\n -1.89821102 -0.47324454 -1.81622159 -0.79718034 -1.79613733\n -2.82271497 -2.32880116 2.28425436 -0.87742455 -2.44686374\n 3.00670075 2.01360775]\",[-73.4987078],78833,500,Maximum number of iterations has been exceeded.,False,872,3.049391402409975,3odi,89.5662006463139,7.820000171661377,86,16,\"[(5, 7, 8, 9), (7, 8, 9, 10), (14, 16, 17, 18), (16, 17, 18, 19), (23, 25, 26, 27), (31, 34, 35, 43), (34, 35, 44, 41), (40, 36, 42, 44), (39, 37, 40, 36), (36, 42, 44, 35), (45, 46, 49, 50), (56, 58, 59, 60), (58, 59, 60, 61), (65, 66, 69, 70), (72, 74, 75, 76), (74, 75, 76, 77)]\"\n\"[ 1.65220395 0.67987238 0.76107335 -50.42830657 -25.1750863\n -8.80777196 2.34860187 -2.22627173 0.11809398 0.10975598\n -2.50939586 -2.08485321]\",[-158.23967837],36725,226,Optimization terminated successfully.,True,501,3.774543297216381,6dvo,99.25969165171429,7.21999979019165,25,6,\"[(12, 10, 0, 21), (10, 0, 21, 2), (5, 4, 3, 21), (4, 3, 21, 0), (6, 7, 8, 22), (7, 8, 22, 23)]\"\n\"[ 0.79287223 -2.8136375 1.61818846 -93.4595489 11.27399657\n -46.174119 3.04743264]\",[-73.30880984],10276,61,Optimization terminated successfully.,True,192,0.8477905656747379,4fns,31.5494411884357,6.699999809265137,11,1,\"[(5, 7, 9, 10)]\"\n\"[ 1.57283503 0.58204651 -0.91543306 32.48503534 25.5149582 27.38586569\n -1.3810751 2.7290406 -0.10331561 3.08321154 -0.50580485 1.54063175]\",[-170.7145388],46384,287,Optimization terminated successfully.,True,355,0.7696225035771356,2qnb,155.05123036844037,5.340000152587891,23,6,\"[(0, 1, 11, 12), (0, 8, 9, 10), (1, 11, 12, 13), (11, 12, 14, 15), (12, 14, 15, 16), (18, 17, 15, 14)]\"\n\"[-0.05308595 -2.45781229 -0.58112224 -7.75599355 6.635036 -1.14928411\n -1.10744757 -0.48496035 2.67736089 -1.58808557 1.32528093 2.39126041\n -0.64269905 1.12132982 -1.33728255 0.67556515 -0.62405725 -0.36774134\n -1.09448879 1.76631251 -1.12520095]\",[-73.18642519],85466,500,Maximum number of iterations has been exceeded.,False,464,2.949888561442855,3ove,96.02030946588717,6.570000171661377,38,15,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (8, 7, 4, 3), (28, 26, 5, 4), (9, 8, 7, 4), (11, 13, 14, 15), (13, 14, 15, 16), (24, 28, 26, 5), (24, 28, 27, 19), (19, 27, 29, 30), (27, 29, 30, 31), (29, 30, 31, 32), (29, 30, 33, 34), (30, 33, 34, 35)]\"\n\"[ 1.64793865 -1.53536608 0.45458652 29.67950753 14.55363242 30.70923126\n -2.73516658 1.93905484 0.74172016 2.56933455 -1.05130797 -1.15903663\n -0.78577485 0.98798327 0.64379454 -0.9799946 -2.38477976 2.11030986\n 1.30060296 2.23559219]\",[-75.64850916],81987,500,Maximum number of iterations has been exceeded.,False,366,3.1700790945659456,1gnj,51.141687824208944,7.039999961853027,22,14,\"[(20, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (4, 5, 6, 7), (5, 6, 7, 8), (7, 8, 9, 10), (8, 9, 10, 11), (10, 11, 12, 13), (11, 12, 13, 14), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[ 2.15956782 2.53867542 -0.39809362 22.83720285 35.76598759 -8.39113643\n -0.09702841 -0.35952296]\",[-67.28757744],21453,137,Optimization terminated successfully.,True,230,0.222208057628893,4aua,31.765702992436367,5.139999866485596,16,2,\"[(9, 8, 6, 7), (10, 9, 8, 6)]\"\n\"[ 1.49787207 1.40706303 -1.79176771 2.04719956 -35.14211949\n -15.37410547 0.4528174 0.22505865 -0.40492976 2.91754993\n 0.06374627]\",[-252.96645016],21974,136,Optimization terminated successfully.,True,329,0.23939757585265542,5ei2,236.30862806467707,7.340000152587891,27,5,\"[(1, 2, 5, 4), (7, 8, 9, 3), (12, 11, 10, 6), (13, 12, 11, 10), (23, 22, 19, 18)]\"\n\"[ -2.93471915 0.60981974 -1.31710255 -32.79282605 52.13359974\n -1.91034437 -0.05421077 2.12299337 0.07383841 -0.79655771\n -0.50477 0.49718026]\",[-139.2924529],55731,348,Optimization terminated successfully.,True,231,1.9485062761266367,5lpj,137.72608788341407,5.0,22,6,\"[(7, 6, 0, 8), (9, 8, 0, 6), (4, 1, 2, 3), (1, 4, 5, 15), (4, 7, 6, 0), (10, 9, 8, 0)]\"\n\"[-0.26279711 1.24215234 1.57590898 41.67515067 48.87061555 37.97322116\n 2.27761843 -1.20726006 -1.43059618 1.93156668 -1.41912468 -1.62334164]\",[-111.22377001],47528,296,Optimization terminated successfully.,True,336,1.6397153800390916,2hha,98.79351607258165,6.909999847412109,26,6,\"[(14, 0, 1, 2), (7, 14, 0, 1), (3, 15, 1, 0), (17, 7, 14, 0), (10, 9, 8, 17), (11, 20, 21, 22)]\"\n\"[ 1.62840836 0.48252823 2.09581391 9.75904971 17.0804367 9.77751471\n -1.99054626 -2.67102119 -2.51727671 0.30197909 -0.38531311 2.02134365\n -1.75269352]\",[-85.20420734],23760,147,Optimization terminated successfully.,True,318,1.7151112177089833,3dkj,53.815535084419295,5.699999809265137,22,7,\"[(1, 0, 5, 14), (2, 3, 4, 9), (3, 4, 9, 10), (0, 5, 14, 15), (4, 9, 10, 11), (5, 14, 17, 18), (14, 17, 18, 19)]\"\n\"[-1.33239108e+00 -2.51080188e-01 -3.04587111e+00 2.08016899e+01\n 6.01417171e+01 2.29015579e+01 2.59888572e+00 3.08084159e+00\n 3.14971078e-02]\",[-196.46413698],14547,88,Optimization terminated successfully.,True,292,1.0929735296032363,4ps7,169.91340217246074,7.409999847412109,19,3,\"[(4, 3, 1, 0), (5, 4, 3, 1), (14, 13, 9, 8)]\"\n\"[-1.24963447 -0.50464013 1.64739705 9.21109039 3.70930908 35.75134874\n 1.65225638 0.68043994 -1.11453941 0.44557978 2.51839602 -1.71418554\n -1.57109927 -1.87961877 3.01617041 2.25950548 -0.70775709 0.51585974\n 0.12709114 -2.97900621 1.14699888 -2.10257297 -1.72508721 0.39844486\n 1.4317722 0.54837097 2.62582548 2.85795455 2.68020935 -2.11801968\n 2.50976259 -0.42798382 0.39773683 0.4819974 ]\",[-61.72493165],86850,500,Maximum number of iterations has been exceeded.,False,732,4.082215050326729,4odm,46.587038773939234,6.070000171661377,55,28,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (4, 5, 6, 7), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (18, 17, 10, 9), (9, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (17, 18, 19, 20), (18, 19, 24, 25), (19, 24, 25, 26), (24, 25, 26, 27), (29, 28, 25, 24), (25, 26, 35, 36), (30, 29, 28, 25), (26, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 43, 44), (36, 39, 40, 42), (37, 43, 44, 45), (43, 44, 45, 46), (48, 47, 44, 43), (49, 48, 47, 44)]\"\n\"[ 1.23390480e+00 1.26906354e+00 1.67563898e+00 8.31717317e+01\n 1.42193123e+01 1.88354530e+00 4.22010336e-01 1.98564875e-01\n -2.39509754e+00 -1.23021934e+00 9.67414103e-01 -9.80985134e-01\n -2.85902794e+00 -5.02392405e-01 -3.02587407e-01 9.27917366e-01\n -1.60808064e-01 2.66152664e+00 -1.02155000e-01 -3.77931135e-01\n -1.71376123e+00 -1.77993597e+00 -3.84524754e-01 -4.96128015e-02\n 9.66617290e-01 -2.51472209e+00]\",[-68.42094972],80883,500,Maximum number of iterations has been exceeded.,False,481,5.677806575556999,4omj,37.910039436736525,5.260000228881836,31,20,\"[(1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 14, 15), (12, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26), (23, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29)]\"\n\"[ 0.52848553 -1.12670727 -2.17379973 8.19943078 25.57586653 33.0344722\n -2.1810568 2.71238769 -0.92575385 -1.02162782 0.48516196 0.34729858\n -1.30558586 0.1037945 ]\",[-77.58422862],65182,417,Optimization terminated successfully.,True,320,2.933349221676773,4j3e,85.98037093119245,7.059999942779541,40,8,\"[(3, 2, 1, 0), (10, 9, 1, 0), (12, 11, 10, 9), (11, 14, 15, 16), (14, 15, 16, 17), (13, 20, 21, 22), (25, 24, 23, 9), (34, 33, 31, 23)]\"\n\"[ 1.08168507 1.51758661 -3.095416 3.61907775 -11.6326506\n -4.39231658 0.08446108 -2.35839025 0.47490098 1.21042007\n -1.79948567 2.02373655 -0.96788471]\",-66.42611023816423,31806,201,Optimization terminated successfully.,True,369,2.2346090901222055,5ei3,42.485056349965035,4.25,34,7,\"[(14, 13, 12, 7), (1, 14, 13, 12), (19, 18, 17, 0), (19, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 30, 31)]\"\n\"[ 3.01053646 2.84333005 2.53127458 8.80279134 -7.93323296 20.06229424\n 2.57924174 0.61030384 0.65459812 0.53314294 1.52475383 1.14650215\n 1.93891362 -1.6020801 2.00358211]\",-69.43103627635054,75486,500,Maximum number of iterations has been exceeded.,False,510,2.2164114562289052,4tpt,73.98858433978461,7.039999961853027,31,9,\"[(1, 0, 9, 28), (3, 5, 6, 7), (5, 6, 7, 8), (0, 9, 28, 26), (13, 10, 26, 27), (11, 12, 19, 15), (22, 21, 19, 12), (17, 22, 21, 19), (10, 26, 28, 9)]\"\n\"[-0.90764843 -2.47607913 2.94187049 6.5440405 33.68693155 25.72372711\n -2.23406634 2.20706076]\",[-175.31520049],10933,64,Optimization terminated successfully.,True,493,1.2155163111853255,4zxy,156.15063665393927,6.400000095367432,35,2,\"[(19, 21, 0, 3), (0, 21, 19, 18)]\"\n\"[ 0.55371063 0.47192217 -2.31941067 24.10852083 21.1805652\n -41.36582778 1.4242577 1.3848303 -0.54241972 1.39566201\n 2.06567926 1.19615677 -0.94871973]\",-120.09902270985494,11058,68,Optimization terminated successfully.,True,281,1.5087108122667054,4b7r,116.25385484970431,9.640000343322754,20,7,\"[(4, 3, 0, 1), (5, 6, 7, 8), (6, 7, 8, 9), (6, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 18), (13, 14, 16, 17)]\"\n\"[-2.03186445 -0.51902445 -0.68105907 -6.40088776 42.75641424 22.8564972\n 0.72566114 1.86664681 1.02866497 -1.63674508 -2.41926314 -2.87201717]\",-47.06592774732728,29133,184,Optimization terminated successfully.,True,351,2.7109056979098387,1jfh,22.701685649831887,2.049999952316284,25,6,\"[(15, 22, 0, 1), (2, 3, 9, 6), (3, 4, 5, 11), (13, 12, 19, 18), (0, 22, 15, 14), (15, 16, 17, 24)]\"\n\"[ 1.33457047 -1.31110676 0.67153767 -24.35230223 2.9225856\n 12.82956543 0.80514594 -2.34620807 -2.24447522 0.30948435\n 2.05896895 -1.09163026 1.89196751 1.71806979 -0.051233 ]\",[-184.41572146],76046,500,Maximum number of iterations has been exceeded.,False,425,3.991544198324945,2zdm,153.6166747551028,6.409999847412109,28,9,\"[(0, 1, 2, 3), (11, 10, 1, 0), (4, 3, 2, 1), (5, 4, 3, 2), (10, 11, 15, 16), (11, 15, 17, 18), (19, 18, 17, 15), (20, 19, 18, 17), (21, 22, 23, 24)]\"\n\"[-1.02459752 -0.37632008 -1.91790251 5.16440219 16.91932364 -1.12274173\n 0.41094475 -2.45403073]\",[-69.47045187],12486,77,Optimization terminated successfully.,True,596,1.9854576907312427,5ta4,66.84244314677302,7.619999885559082,40,2,\"[(7, 9, 26, 22), (28, 29, 32, 33)]\"\n\"[ -2.58273781 -1.3545197 2.98942309 17.2028973 6.6883355\n 302.6254826 1.63725784 -1.40126702 -0.68438301 0.4099795\n 0.56419495]\",[-81.44830781],27574,174,Optimization terminated successfully.,True,414,2.0168910915687315,5j8x,64.37780213957008,8.800000190734863,25,5,\"[(3, 2, 1, 0), (4, 5, 8, 9), (11, 10, 8, 5), (12, 11, 10, 8), (14, 18, 22, 23)]\"\n[ 2.96297531 -2.34485019 0.40698592 29.17440654 6.46623243 39.0055739 ],[-46.55401477],10700,68,Optimization terminated successfully.,True,171,0.00013561379814732384,4eoh,27.474010653729714,4.300000190734863,13,0,[]\n\"[-0.40532888 0.67369542 -0.48098369 14.34924959 30.50387999 -7.43128968\n 2.75968912 -2.13546059 1.67027306 0.23952935 -1.70545825 -2.54776703]\",-81.13009845479979,37401,237,Optimization terminated successfully.,True,404,2.107669965365285,4l2x,69.63776741357806,7.409999847412109,28,6,\"[(0, 1, 4, 5), (1, 4, 5, 6), (10, 9, 4, 1), (11, 10, 9, 4), (20, 19, 18, 15), (26, 25, 24, 21)]\"\n\"[-1.63993731e+00 1.71662251e+00 1.73963057e+00 -8.67555821e+00\n 2.06406278e+01 3.88635956e+01 -1.11714531e-02 -2.45106928e+00\n -2.70347761e+00 -3.12875544e+00 2.22732254e+00 -2.19331434e+00\n -3.95151032e-01 -1.08588469e-01 -4.16623551e-02]\",[-69.7758115],76222,500,Maximum number of iterations has been exceeded.,False,448,2.5683364681931367,5bpa,112.73941652221927,9.0,33,9,\"[(13, 11, 1, 0), (7, 6, 8, 31), (6, 8, 32, 9), (10, 9, 32, 8), (13, 12, 15, 16), (12, 15, 27, 26), (21, 20, 18, 17), (22, 25, 26, 27), (25, 26, 27, 15)]\"\n\"[-1.21157555e+00 -1.62688765e+00 9.74554976e-02 1.57502682e+01\n 1.21652722e+01 1.13085893e+02 5.71957514e-01 -1.02884216e+00\n 5.31624943e-01 -1.60872435e+00 -2.22858360e+00 2.80247963e+00]\",[-133.93112583],79833,500,Maximum number of iterations has been exceeded.,False,461,2.2798967511902526,5jq9,150.38094208792106,4.650000095367432,31,6,\"[(3, 4, 6, 13), (14, 13, 6, 4), (15, 14, 13, 6), (16, 17, 20, 21), (22, 21, 20, 17), (25, 22, 21, 20)]\"\n\"[ 2.99597308e+00 -5.73804970e-01 2.29600706e+00 5.02950477e+01\n 5.38890963e+01 6.90244391e+01 1.30161360e+00 -2.85519043e-01\n 1.28987755e+00 2.44907975e-02]\",[-99.73868559],21848,136,Optimization terminated successfully.,True,426,3.836662193719228,1ugy,58.09494361854403,3.7200000286102295,23,4,\"[(1, 0, 22, 16), (3, 4, 5, 10), (14, 15, 16, 22), (0, 22, 16, 15)]\"\n\"[ 1.87447346e+00 -2.62882406e+00 -2.36182280e+00 -1.19287438e+01\n 2.90758596e+01 -1.46092367e+01 -2.30913355e+00 1.52403113e-01\n -2.57292729e+00 1.98313181e-01 2.42435069e+00 6.56854030e-01\n -4.44850433e-01 -1.65244091e+00 -1.40697537e-01 -2.89727126e-01\n 1.62774061e+00 1.15244881e+00 3.12345039e-01 4.36151793e-04\n -1.47442859e+00 -2.78883308e+00 -9.17857488e-01 6.08476244e-01\n 4.75493785e-01 7.40328165e-01 8.42063932e-01 7.18253929e-01\n -5.10181967e-01 -1.54492331e+00 -1.69161323e+00 -5.36937038e-02\n -2.15291727e+00 6.88726824e-02 8.56881205e-01 -1.75930275e+00\n 9.11875112e-01 -1.40077716e+00 -1.60124641e+00 -1.97167920e+00\n -1.81774817e+00 -6.18664074e-01 -1.72497868e+00 2.31853892e+00\n -2.07965786e+00]\",[-68.3094996],93630,500,Maximum number of iterations has been exceeded.,False,928,5.8797312577730265,4h36,55.174833068340575,4.269999980926514,68,39,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 9, 10, 11), (9, 10, 11, 12), (14, 13, 10, 9), (10, 11, 19, 20), (15, 14, 13, 10), (11, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 28, 29), (20, 23, 24, 25), (23, 24, 25, 26), (21, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 36, 37), (29, 32, 33, 34), (32, 33, 34, 35), (30, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 43, 44), (38, 43, 44, 45), (43, 44, 45, 46), (43, 44, 47, 48), (44, 45, 51, 52), (44, 47, 48, 49), (45, 51, 52, 53), (51, 52, 53, 54), (52, 53, 56, 57), (53, 56, 57, 58), (56, 57, 58, 59), (61, 60, 57, 56), (62, 61, 60, 57)]\"\n\"[-1.46259712 1.33388753 2.54001888 11.90422699 49.21035785 21.58763835\n -0.86322807 -2.52337328 -0.15076969 2.48012345 1.86675413 -2.98854862\n -1.42000196 1.58917059 -0.97768373 0.61813513 2.58984378 2.24413265\n 1.27736681]\",[-77.65503308],77412,500,Maximum number of iterations has been exceeded.,False,363,4.044987792584579,1bmm,90.83558646765599,7.099999904632568,35,13,\"[(1, 0, 10, 11), (0, 10, 13, 14), (10, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (20, 19, 17, 14), (19, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 28, 29), (26, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32)]\"\n\"[-1.52479511 0.94092127 -2.84044205 35.4594727 80.83033602 60.72421032\n -0.58747895 -0.20561189 0.12964848 2.32555142]\",[-134.12248897],27910,177,Optimization terminated successfully.,True,274,1.0271285564625767,5dri,108.55161770560167,7.699999809265137,17,4,\"[(3, 4, 6, 7), (4, 6, 8, 9), (6, 8, 9, 10), (0, 11, 9, 8)]\"\n\"[ -2.00375597 -2.56233063 1.48269493 99.68623837 83.27197555\n -50.6589225 -1.87725301 2.36731473 1.61803729 2.09545764\n -3.01072772]\",[-250.60950586],48928,309,Optimization terminated successfully.,True,367,0.9878889889230299,3rak,260.3399854731964,6.889999866485596,25,5,\"[(21, 22, 7, 2), (1, 18, 9, 19), (20, 19, 9, 18), (8, 14, 15, 10), (3, 16, 15, 10)]\"\n\"[ -3.09284408 0.85451191 -2.30797968 -31.01982463 19.21815616\n -23.63737804 -0.83662073 -2.91699053 2.09613008]\",[-95.09575052],10958,65,Optimization terminated successfully.,True,262,0.9482667080124365,5vdw,76.3054120921039,3.700000047683716,18,3,\"[(1, 2, 6, 5), (0, 14, 3, 2), (2, 6, 5, 12)]\"\n\"[ 2.1528655 -3.10144939 0.18699419 -13.99357569 -28.30896716\n -26.88107957 2.83187617 0.28939561 1.18356198]\",-104.65878573804841,15204,97,Optimization terminated successfully.,True,202,0.9515063236225106,3dyo,88.86364074595215,2.299999952316284,15,3,\"[(1, 0, 11, 12), (5, 7, 9, 10), (0, 11, 12, 13)]\"\n\"[ -0.74131837 -1.02162133 -2.33114596 11.15594965 -27.89029855\n -11.07905304 1.99797485 -1.86663951 -0.54411006]\",[-49.94473226],25280,159,Optimization terminated successfully.,True,278,1.296565833805029,3nf9,39.81390279859979,3.5399999618530273,24,3,\"[(11, 10, 9, 3), (12, 11, 10, 9), (11, 16, 17, 18)]\"\n\"[-2.88085987 2.36772845 -3.05913301 12.66666539 5.9342704 19.09724992\n 1.30792437 -1.33418146 1.46695851 1.1927804 -1.18535016]\",[-147.96675109],23848,147,Optimization terminated successfully.,True,353,1.10453106629808,5u7l,114.45089340685462,6.369999885559082,32,5,\"[(1, 16, 3, 14), (3, 17, 7, 11), (19, 8, 31, 21), (0, 15, 23, 10), (9, 30, 18, 1)]\"\n\"[ 0.78933558 -2.0820182 -2.22194044 19.27372082 29.58624892 13.63325888\n 0.74541147 -3.02067967 -1.85554472 0.76072578 0.68520615 -2.37475353\n -2.8905881 0.74565984 -1.2294917 -2.95290909 -1.62685856 -1.55443531\n 1.16937774]\",[-96.95350175],77412,500,Maximum number of iterations has been exceeded.,False,514,5.809681545554944,3mxd,242.85281877769592,8.829999923706055,44,13,\"[(2, 3, 6, 7), (3, 6, 9, 10), (6, 9, 10, 11), (6, 9, 14, 15), (9, 10, 11, 12), (9, 14, 15, 17), (14, 15, 18, 20), (15, 18, 20, 21), (36, 30, 18, 15), (18, 20, 21, 22), (24, 28, 21, 20), (39, 40, 23, 24), (31, 36, 30, 18)]\"\n\"[-1.83060175 -1.32456341 -0.72393672 -1.35139313 -5.97890328 15.50189286\n -0.58113395 1.64365797 1.56137498 1.97668717 -1.14156288 2.51107355\n 2.34304928 0.94393545 -2.67415633 2.24865554 0.20284824 -2.07783297\n 1.05248408]\",-93.01127786248774,76572,500,Maximum number of iterations has been exceeded.,False,762,5.588233986601908,2yis,262.80189814375467,8.770000457763672,48,13,\"[(5, 4, 1, 0), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 10, 11), (12, 11, 10, 8), (13, 12, 11, 10), (19, 18, 17, 12), (20, 19, 18, 17), (27, 26, 25, 24), (26, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (41, 40, 38, 6)]\"\n\"[-3.10540325 1.64443585 -1.4939434 8.44611871 47.27545789 71.89441939\n -2.67261161 -2.88554786]\",[-85.52750108],25014,158,Optimization terminated successfully.,True,457,1.9471417857308115,1mmp,73.06402100662483,6.070000171661377,32,2,\"[(34, 32, 35, 36), (40, 39, 37, 36)]\"\n\"[ 0.11991821 0.60143566 -1.87626418 30.6077917 75.90989595 82.92757065\n -0.99286349 -0.46217006 2.4966091 ]\",[-162.34685204],15642,93,Optimization terminated successfully.,True,417,0.2069047546058729,2za5,151.0696693098667,8.430000305175781,31,3,\"[(0, 5, 29, 30), (15, 14, 11, 10), (16, 15, 14, 11)]\"\n\"[-1.82423602 -2.66197119 0.97977387 8.17720839 6.99367513 25.97221558\n -2.40653798 -0.37098959 -0.16181422 0.87373962 -1.65349662 -0.95870869\n -0.63308844 -0.90475682 -2.66091805]\",[-119.72020207],76030,500,Maximum number of iterations has been exceeded.,False,575,2.3892538509559595,3e8r,114.83304327220559,9.739999771118164,35,9,\"[(4, 0, 13, 18), (7, 3, 29, 12), (31, 5, 8, 6), (29, 28, 8, 5), (15, 14, 12, 29), (14, 12, 29, 3), (19, 18, 13, 0), (21, 19, 18, 13), (9, 27, 20, 11)]\"\n\"[ -1.13379944 0.90787949 0.90771555 -14.71149423 -21.16295813\n 1.19988191 -1.66652123 -1.52339295 0.50375142 0.09177516\n 0.05362515 0.7839992 -0.05151457 -3.02033523 0.37794409\n 0.90731217 -2.27186446 0.3631739 ]\",[-68.03743808],81827,500,Maximum number of iterations has been exceeded.,False,761,3.3002841944869346,5m0s,66.75329253410969,6.690000057220459,43,12,\"[(0, 1, 2, 3), (23, 22, 1, 0), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 6, 7), (4, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 12, 13), (14, 13, 12, 10), (15, 14, 13, 12)]\"\n\"[ 2.67268745 -0.5207686 2.66656575 -16.65284401 24.01125185\n 41.62936724 -0.06691726 0.20616055 -1.53933208 3.12897565\n -3.11354647 -2.54312688 2.88650872 -0.2461207 ]\",-162.29296251399464,53599,345,Optimization terminated successfully.,True,451,1.475370780942625,4bkj,158.38890487168598,8.720000267028809,37,8,\"[(7, 6, 2, 1), (13, 12, 10, 9), (14, 13, 12, 10), (16, 17, 19, 20), (21, 20, 19, 17), (22, 21, 20, 19), (28, 27, 24, 23), (29, 28, 27, 24)]\"\n\"[-1.80558901e+00 1.20841386e+00 -9.82346292e-01 3.78722030e+01\n -1.66878550e+00 2.51522296e+01 3.03792589e-02 -1.22972846e+00\n 1.67164202e+00 -7.38910291e-02 3.11859698e+00 1.27480616e+00\n 3.16141455e-02 -6.91301749e-01 -2.22998727e+00 -8.38277508e-02\n 1.16045987e+00 1.81665463e+00 1.29531922e-01 2.58364189e+00]\",[-185.16985016],82680,500,Maximum number of iterations has been exceeded.,False,641,5.490832256849369,1qhc,129.44286319552873,7.570000171661377,50,14,\"[(3, 0, 7, 4), (7, 0, 3, 22), (23, 22, 3, 0), (37, 4, 7, 0), (36, 37, 4, 7), (28, 29, 8, 11), (24, 25, 12, 21), (28, 23, 22, 3), (23, 28, 29, 8), (32, 31, 30, 38), (31, 30, 38, 41), (36, 32, 31, 30), (44, 42, 34, 33), (35, 36, 37, 4)]\"\n\"[-1.89476643e+00 -4.54988284e-02 -1.21522235e+00 7.45535136e+01\n 3.63513820e+01 -8.81681350e-01 7.44726836e-02]\",[-102.00541222],9318,54,Optimization terminated successfully.,True,347,1.3875098894764593,2o64,83.41375937033146,6.46999979019165,23,1,\"[(16, 15, 14, 2)]\"\n\"[ 0.57974636 2.33106324 -1.37556686 18.83284393 -8.16502223 64.24806574\n 0.40151838 -0.53718683 1.22652783 2.26252865]\",-54.5221595452042,15231,99,Optimization terminated successfully.,True,192,1.504898437141935,4o7d,17.669213818668855,3.0,10,4,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 5, 6, 7), (5, 6, 7, 8)]\"\n\"[-1.07037819e-02 8.10412399e-01 -2.42316275e+00 -1.14164222e+01\n -1.43810424e+01 -2.40588176e+01 1.95115523e+00 -1.95032473e+00\n -8.91625125e-01 -2.35246182e-01 -6.39771463e-01 -1.73285670e+00\n -1.39468601e+00 -6.87811270e-01 1.37318538e+00 1.56035087e+00\n 1.66365323e+00 3.74358653e-02 2.61154191e+00 -3.84468474e-01\n 6.36744182e-01 1.96250989e-01 -1.53026042e+00 -1.28509743e+00\n 9.69902137e-01 -1.25636153e+00 -2.52620748e+00 -1.22253267e+00\n 1.23069842e+00]\",[-62.75554741],88944,500,Maximum number of iterations has been exceeded.,False,578,3.706022244557753,3u3z,65.5793558478139,5.360000133514404,45,23,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 3, 6), (2, 3, 6, 7), (1, 4, 10, 11), (4, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 19, 20), (11, 14, 15, 16), (14, 15, 16, 17), (12, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 28, 29), (20, 23, 24, 25), (23, 24, 25, 26), (21, 28, 29, 30), (28, 29, 30, 31), (34, 33, 29, 28), (35, 34, 33, 29), (37, 39, 40, 41), (39, 40, 41, 42)]\"\n\"[ 1.60182347 0.4837606 1.40283278 16.99907519 -7.36527159 23.56699916\n -2.58707505 -0.92198457 -2.36147195 1.86914275 1.04323978 -0.72615136\n 1.55484127 -2.48726581 -0.44566226 0.87450342 2.63670917 2.4834578\n 1.78296024 -0.46935485 -0.27970158 1.91655598 -2.72255792 1.10053338\n 2.02856204 2.83052098 -1.69039439 2.68919482 -2.68513472 0.49987312]\",[-81.11245838],77816,500,Maximum number of iterations has been exceeded.,False,311,4.073679863333821,3sna,95.4403529131201,4.139999866485596,43,24,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 11, 12), (4, 7, 8, 9), (5, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 17, 18), (13, 17, 18, 19), (17, 18, 19, 20), (22, 21, 18, 17), (18, 19, 28, 29), (23, 22, 21, 18), (19, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 35, 37), (36, 34, 37, 35), (30, 35, 37, 34), (34, 37, 38, 40), (37, 38, 40, 39), (41, 39, 40, 38)]\"\n\"[-0.63242684 0.30254787 -2.5949377 12.25071795 46.69389147 40.93676116\n -0.8324185 1.41884763 -0.48421693 -0.1803102 1.66421008 -0.12240511]\",[-112.89874648],26858,165,Optimization terminated successfully.,True,262,1.7677048341926713,2jbj,95.34294512890436,9.699999809265137,14,6,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (4, 5, 9, 10), (5, 9, 10, 11)]\"\n\"[ -0.50192869 1.72065483 0.35153766 0.33424303 -48.57986713\n 18.3552614 -1.8621751 -0.78917443 -2.945289 1.05048779\n -0.26952217 2.16117358]\",[-111.5306067],33839,208,Optimization terminated successfully.,True,409,1.8121873355684734,4ohm,108.44448758822534,7.550000190734863,33,6,\"[(0, 6, 7, 8), (11, 10, 7, 6), (20, 19, 18, 12), (21, 24, 25, 26), (24, 25, 26, 27), (24, 25, 31, 32)]\"\n\"[ 2.69026319 2.2892212 0.61052975 76.51104044 -20.37046592\n -2.79211922 0.26181113 2.73818554 0.65275921 2.4295391\n 2.30415453 -2.31683364]\",[-90.70705422],55497,349,Optimization terminated successfully.,True,381,2.1870961340028074,4oag,71.92919071766093,6.300000190734863,27,6,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 8, 9), (10, 9, 8, 4), (11, 10, 9, 8), (18, 17, 16, 11)]\"\n\"[ 2.41436465 -1.83659332 1.29596269 -24.76974348 -2.42689616\n -10.58064787 0.474082 0.18399234 2.24781118 2.00060833\n -1.06962694 3.10214052 1.80923866 2.82826177]\",[-125.76547562],78819,500,Maximum number of iterations has been exceeded.,False,486,1.8595190760467026,3pj3,281.6360190018255,5.25,36,8,\"[(26, 16, 0, 1), (15, 6, 4, 8), (13, 8, 4, 6), (9, 13, 8, 4), (12, 10, 11, 14), (19, 12, 10, 11), (15, 19, 12, 10), (28, 24, 14, 11)]\"\n\"[ -0.07127059 0.41211869 1.21539937 -9.68329725 -22.59127296\n 24.66350289 -1.76064274 -2.51987438 -0.05764358 -0.47433198]\",[-156.92772597],21177,136,Optimization terminated successfully.,True,304,0.6630908780568326,4cfm,125.80314115854985,4.739999771118164,25,4,\"[(0, 5, 6, 7), (8, 7, 6, 5), (9, 8, 7, 6), (19, 18, 17, 14)]\"\n\"[-2.66409381e+00 8.93381823e-01 -2.84986736e+00 3.22087906e+00\n -1.36985910e+00 -2.63938103e+01 2.20963775e+00 -1.36349339e-03\n -2.24211356e+00 -1.08039960e+00 -7.06336783e-01]\",[-231.35423686],23242,144,Optimization terminated successfully.,True,351,1.1750698980981578,5lmb,211.2776790183778,7.800000190734863,27,5,\"[(2, 14, 0, 12), (16, 6, 4, 3), (17, 22, 9, 23), (10, 23, 9, 22), (8, 17, 22, 9)]\"\n\"[-2.33849433 -2.21102142 0.19399903 39.80043698 57.02410763 13.37296777\n 0.2202763 -2.46396168 3.07598705 0.3251298 -0.76482793 -0.71432736\n 2.04318574 0.47727413 2.83104358 -2.11310488 2.95607506 2.24128452]\",[-86.6084172],83252,500,Maximum number of iterations has been exceeded.,False,359,4.421063749851782,1jcx,76.85299030001462,5.150000095367432,25,12,\"[(4, 0, 3, 5), (0, 3, 5, 6), (3, 5, 6, 8), (5, 6, 8, 10), (6, 8, 10, 12), (8, 10, 12, 14), (10, 12, 14, 15), (12, 14, 15, 20), (14, 15, 20, 21), (14, 15, 16, 17), (15, 16, 17, 19), (15, 20, 21, 24)]\"\n\"[ 0.31063487 -0.82032136 -1.36742192 -29.24245715 -14.57842719\n 34.55152492 -1.99954908 2.98068696 1.23984271 -2.90750082]\",[-86.18291967],24464,153,Optimization terminated successfully.,True,345,2.1003917167533874,5ofu,77.72630839024481,4.199999809265137,23,4,\"[(1, 0, 4, 5), (6, 5, 4, 0), (7, 6, 5, 4), (14, 13, 12, 7)]\"\n\"[ 0.12024646 -0.53869362 -0.04786313 -7.92634461 -0.67052033 14.10373413\n 2.16612162 0.54914364 -0.53864843 0.23757223 3.07228673 -0.56995644]\",[-103.0247603],33111,205,Optimization terminated successfully.,True,330,2.9177445063601253,2f34,92.21454377279937,6.889999866485596,24,6,\"[(0, 1, 3, 4), (6, 5, 3, 1), (7, 6, 5, 3), (16, 15, 9, 7), (17, 16, 15, 9), (16, 20, 21, 22)]\"\n\"[ 2.03604547 0.64134385 -1.69994557 -10.37490024 26.07667712\n 25.25639883 -0.84813606 2.53859331 -1.4600142 0.6665151\n 1.50175034 0.52029264 -0.41828194 1.59642445 -1.81041653\n -0.53486379 1.59869756 2.52391382 1.77970047 0.39276389\n 0.42681865 1.21085503 -0.39010768 -2.71414995 -2.30083041\n -0.52824479 -1.5897737 0.5896374 0.35931333 2.55495064\n 0.04854916 1.20062963 -0.17098931 -1.72298791 2.6034702\n -2.22129347 0.15191583 -1.80677444 -2.5671004 1.07531563\n 1.98017205 -1.66061256 -2.48789286 1.13353446 2.3172602\n 2.08093229 -2.45339106 -1.40053774 -2.89944969 1.69146386\n -0.2647186 -0.37499277 1.04223676 -0.64756944 -2.93181151\n -1.34131851 -1.61394601 -0.17705722 -1.15089888 -2.77676266\n 1.75110286 -0.635851 1.31899398 2.2556958 -0.42312102]\",[-82.25990699],103701,500,Maximum number of iterations has been exceeded.,False,1030,5.971867765618745,5hpm,109.40928561212687,7.130000114440918,98,59,\"[(5, 0, 3, 1), (3, 0, 9, 10), (8, 1, 3, 0), (6, 2, 4, 3), (0, 3, 4, 2), (0, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 18, 19), (10, 13, 14, 15), (13, 14, 15, 16), (11, 18, 19, 20), (18, 19, 20, 21), (23, 22, 19, 18), (19, 20, 29, 30), (24, 23, 22, 19), (20, 29, 30, 31), (29, 30, 31, 32), (29, 30, 33, 34), (30, 31, 37, 38), (30, 33, 34, 35), (31, 37, 38, 39), (37, 38, 39, 40), (37, 38, 41, 42), (38, 39, 45, 46), (38, 41, 42, 43), (39, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50), (46, 47, 51, 52), (47, 51, 52, 53), (51, 52, 53, 54), (51, 52, 55, 56), (52, 53, 58, 59), (53, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 60, 69, 70), (59, 62, 63, 64), (62, 63, 64, 65), (63, 64, 65, 66), (60, 69, 70, 71), (69, 70, 71, 72), (69, 70, 73, 74), (70, 71, 80, 81), (70, 73, 74, 75), (73, 74, 75, 76), (74, 75, 76, 77), (71, 80, 81, 82), (80, 81, 82, 83), (80, 81, 84, 85), (81, 82, 88, 89), (81, 84, 85, 86), (82, 88, 89, 90), (88, 89, 90, 91), (88, 89, 92, 93), (89, 92, 93, 94), (92, 93, 94, 95), (93, 94, 95, 96)]\"\n\"[ 2.42380847e+00 1.25824666e+00 -3.06163231e-01 -1.32938071e+01\n 7.49658528e+01 8.97200257e+01 -2.11379368e+00 5.06992044e-01\n 1.24256624e+00 -1.68935163e+00 1.72600312e+00 -3.99873894e-01\n -2.14754727e+00 1.06068222e+00 -1.71350171e+00 -2.60831065e-01\n 8.80413423e-01 6.79578889e-01 -2.93334132e+00 -1.74073887e+00\n -1.38948555e+00 1.30965614e+00 -2.20594269e-02 2.33028759e+00]\",[-125.80774843],89543,500,Maximum number of iterations has been exceeded.,False,864,6.084913719298527,4uvc,266.0267523834448,6.880000114440918,69,18,\"[(19, 0, 32, 12), (19, 0, 40, 39), (38, 7, 68, 53), (17, 12, 32, 0), (17, 12, 43, 42), (14, 15, 13, 20), (15, 13, 20, 21), (35, 52, 18, 24), (13, 20, 27, 28), (20, 27, 33, 34), (27, 33, 39, 40), (30, 36, 42, 43), (33, 39, 40, 0), (36, 42, 43, 12), (66, 64, 65, 68), (60, 66, 64, 65), (7, 68, 65, 64), (7, 68, 67, 62)]\"\n\"[ -2.33042929 2.1405657 -0.06042849 -23.08886946 44.8750868\n -53.12241181 -0.11967973 1.96032372 -0.75271221 -2.45768834\n 2.70324548 1.19695806 1.19849861 1.13160051 1.15240859\n 1.99792419 2.95079867 -0.65301422 -1.78495743 0.25568798\n -0.19569886 0.08149025 -2.3448014 -0.30798713]\",[-68.61356543],88018,500,Maximum number of iterations has been exceeded.,False,486,2.5930124842555435,3wci,32.9037634656595,6.570000171661377,31,18,\"[(0, 1, 4, 5), (1, 4, 5, 6), (11, 10, 4, 1), (12, 11, 10, 4), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ 0.13683989 2.63086431 -1.42035773 15.70609353 46.52913618 41.49685912\n -3.06627843 -0.59291324 -0.93421827 -2.59858489 2.44162945 -0.15425187\n 2.73134151 -0.61440073 1.54460479 0.71241241 -1.29707353 -2.81581563\n -1.60231774]\",[-164.46054498],77712,500,Maximum number of iterations has been exceeded.,False,494,3.949342096574764,4p4j,144.9452548440679,6.150000095367432,28,13,\"[(0, 5, 6, 7), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 11), (8, 9, 13, 14), (9, 13, 14, 15), (13, 14, 15, 16), (14, 15, 18, 19), (15, 18, 19, 20), (18, 19, 20, 21), (18, 19, 23, 24), (19, 23, 24, 25), (23, 24, 25, 26)]\"\n\"[ -0.52076659 2.36230022 2.48089791 -32.94758305 8.46444996\n -14.42133348 1.39262729 -1.89451603 2.15586565 1.88142175\n 0.79412241]\",[-183.21106939],19072,117,Optimization terminated successfully.,True,456,1.562467696202268,5vee,167.8393407280894,6.110000133514404,35,5,\"[(9, 8, 7, 2), (3, 28, 14, 13), (20, 31, 19, 27), (19, 31, 20, 12), (17, 29, 23, 24)]\"\n\"[ 1.89180142 -1.28576619 -0.7193556 -24.78402864 -28.37310038\n -11.15643017 -0.82180446 1.60960665 1.37008289 2.14016377]\",[-48.25846483],19066,122,Optimization terminated successfully.,True,186,1.1471213554961037,5v4q,42.53432037426132,2.569999933242798,10,4,\"[(0, 1, 3, 4), (1, 3, 5, 6), (3, 5, 6, 7), (5, 6, 7, 8)]\"\n\"[ 2.04146177 -1.01308583 1.56152927 18.34746058 42.67392106 31.38417409\n -1.93173987 -0.66581164 -0.40061755 -1.2699987 1.93830041 3.06088627\n -1.54625794]\",[-74.05234377],68274,431,Optimization terminated successfully.,True,528,2.568758692300434,6bmx,66.86190743768832,4.71999979019165,41,7,\"[(9, 10, 29, 30), (13, 12, 11, 23), (5, 23, 11, 12), (14, 15, 34, 35), (20, 21, 37, 38), (7, 28, 25, 24), (18, 36, 34, 15)]\"\n\"[ 1.57267353 -2.47589183 1.9632721 -34.32344915 21.80829217\n -25.91827476 3.05757589 1.11784739]\",[-174.73631534],16412,102,Optimization terminated successfully.,True,275,1.0832177910041332,5xsu,156.7448794364554,6.739999771118164,22,2,\"[(2, 1, 0, 16), (8, 7, 6, 17)]\"\n\"[-2.24261795 1.51083788 -2.61837545 48.03630088 19.90088589 6.39333945\n -0.97829161 2.89010061 2.43107862 1.19478698 1.52361505 2.09761667\n -1.08631836 1.89286964 -0.6761839 0.58981507 -0.18925818 0.83163746\n -0.94873853 2.02232882 1.39369431]\",[-75.8283894],85048,500,Maximum number of iterations has been exceeded.,False,540,3.3097304612793,1idb,192.4584233245527,7.960000038146973,46,15,\"[(10, 0, 1, 11), (1, 0, 13, 14), (2, 11, 1, 0), (3, 2, 11, 1), (24, 12, 22, 14), (25, 24, 12, 22), (0, 13, 14, 15), (16, 15, 14, 13), (13, 14, 22, 12), (17, 16, 15, 14), (24, 25, 30, 31), (40, 43, 27, 26), (25, 30, 32, 33), (30, 32, 33, 34), (27, 43, 40, 39)]\"\n\"[ 1.38499231e+00 2.36979972e+00 -2.22626136e+00 -1.90675879e+01\n -1.50290765e+01 -4.91370553e+01 1.72157729e+00 -1.52717290e+00\n 1.99795004e+00 2.69349319e+00 1.02846154e+00 5.54416540e-01\n 2.97633776e+00 -2.92607387e+00 1.41495840e+00 -6.94983031e-01\n 3.54678251e-01 -2.77682874e-02 4.99632370e-01 2.05745990e+00\n -1.65886508e+00 -1.81089874e+00 2.93108644e+00 4.39640780e-01\n 9.65636126e-02 1.91848958e+00 2.64461040e+00 -2.96297605e+00]\",[-112.00718301],86720,500,Maximum number of iterations has been exceeded.,False,630,5.634029642799179,4ngt,160.3066470292781,8.40999984741211,39,22,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (6, 5, 4, 3), (7, 6, 5, 4), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 11, 12), (9, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (15, 16, 30, 31), (16, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (20, 21, 25, 26), (21, 25, 26, 27), (25, 26, 27, 28)]\"\n\"[-1.70081227 -0.0692987 -1.17413533 17.17597724 27.0606103 18.9211622\n -0.40418591 -0.92474138 1.29222065 -1.64600099]\",[-87.67204545],14365,79,Optimization terminated successfully.,True,231,1.1477744524630067,1o41,72.81100069612486,3.049999952316284,15,4,\"[(2, 3, 8, 9), (3, 4, 7, 10), (0, 5, 6, 14), (4, 7, 10, 11)]\"\n\"[ 2.10273392 -2.17321054 2.75242826 15.63207712 16.07037348 35.1735601\n -2.92609156 -0.30049892 -0.20400808 2.52555205 1.09557475 1.95331309\n -3.06309277 -1.10856831 0.87163582 -1.93832041 -0.20148122 -0.13905219\n 1.55646813 1.51366217]\",[-85.98221558],57565,345,Optimization terminated successfully.,True,414,2.155293145640848,1f4g,79.41976073863893,6.480000019073486,34,14,\"[(1, 2, 8, 11), (2, 3, 5, 7), (3, 5, 7, 29), (5, 7, 29, 30), (16, 9, 8, 2), (13, 14, 17, 23), (14, 17, 18, 19), (17, 18, 19, 24), (18, 19, 24, 26), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 28), (7, 29, 30, 31), (29, 30, 31, 33)]\"\n\"[ 2.24908220e-02 -2.69075158e+00 2.51357176e+00 2.28357925e+01\n 4.11285896e+01 -5.95546813e-01 -2.54351396e+00 -2.85731000e-01\n -4.55242747e-01 -5.54472287e-01 1.65134721e+00 -2.33702659e+00]\",[-89.40830968],65975,416,Optimization terminated successfully.,True,462,2.9001223222519883,4jt9,82.0206544310945,8.140000343322754,25,6,\"[(0, 1, 2, 3), (1, 2, 3, 4), (5, 4, 3, 2), (6, 5, 4, 3), (10, 9, 8, 7), (12, 13, 14, 15)]\"\n\"[-0.97031132 1.39236959 1.8432206 18.31197345 9.06880739 53.78777747\n -1.72770927 -1.31935586 -1.09556429 -0.13989622 -0.23625374]\",-246.18411340706592,23198,148,Optimization terminated successfully.,True,505,1.0398796859374084,4deg,252.35422541972622,8.220000267028809,29,5,\"[(7, 6, 5, 2), (10, 14, 15, 16), (17, 16, 15, 14), (18, 17, 16, 15), (22, 26, 27, 28)]\"\n\"[ 0.72292794 2.20292082 2.15572685 -0.02761737 -2.26985137 0.70829867\n 2.90868783 -1.32973874]\",[-56.78699003],18647,117,Optimization terminated successfully.,True,174,0.6099442984915044,4uy1,53.95731411231633,4.699999809265137,15,2,\"[(8, 7, 3, 2), (8, 9, 12, 13)]\"\n\"[-2.72054552e+00 1.61139889e+00 -2.48934990e+00 9.39401304e+01\n 6.53314088e+01 -1.30481313e+01 1.19442491e+00 -2.52479085e+00\n -2.26179671e+00 1.06950247e+00 -4.18917326e-01 6.89016919e-01\n -2.37761717e+00 -2.32673355e-01 8.52677001e-02 -2.51371396e-01]\",[-123.99487712],82047,500,Maximum number of iterations has been exceeded.,False,672,4.523346784617893,1w9v,96.8204714192282,6.340000152587891,48,10,\"[(0, 1, 2, 3), (1, 2, 4, 5), (5, 7, 8, 9), (7, 8, 9, 10), (11, 10, 9, 8), (12, 11, 10, 9), (24, 25, 26, 27), (32, 33, 34, 35), (42, 41, 40, 14), (43, 42, 41, 40)]\"\n\"[ 2.25938528 -2.25455568 0.62800608 -25.29845721 -20.39016716\n -19.44782369 2.98602945 1.37808395 2.14811281 2.28277425\n 2.67216638 -2.56291492]\",[-58.66326138],53456,337,Optimization terminated successfully.,True,164,0.9591268866986092,2r5a,43.65443135494865,2.5999999046325684,11,6,\"[(0, 1, 2, 3), (0, 1, 8, 9), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[ -1.85424461 0.48981386 -0.39716638 42.63822553 33.47811068\n -11.16191563 -2.70317537 3.08629582]\",[-76.45916532],13542,83,Optimization terminated successfully.,True,227,1.277391147831933,6cki,62.331175180153686,7.239999771118164,20,2,\"[(4, 11, 1, 2), (1, 11, 4, 5)]\"\n\"[ -1.99147319 1.21064954 -3.00089084 -29.192705 19.65223188\n 3.37538464 -1.30456679 -0.69369905 1.84882427 0.89662431\n 1.07763564 -0.77022558 -1.46042802 0.73743694]\",[-119.4533454],51794,325,Optimization terminated successfully.,True,372,1.7716967799683108,6dq6,78.19135884210776,5.070000171661377,30,8,\"[(21, 29, 1, 15), (22, 16, 4, 17), (25, 7, 8, 9), (7, 8, 9, 19), (10, 19, 9, 8), (11, 10, 19, 9), (3, 20, 12, 11), (0, 21, 29, 1)]\"\n\"[ -1.4267014 -2.17812537 -1.36309545 -39.00433657 10.6477818\n 44.44666577 1.00658101 0.26043025 -1.12896534 1.43718483\n 0.56117986 2.08174422 -0.38639201]\",[-142.85120814],65836,416,Optimization terminated successfully.,True,429,2.9277155362012732,3shy,111.23365984199332,7.039999961853027,30,7,\"[(0, 10, 12, 19), (17, 22, 11, 1), (21, 19, 12, 10), (8, 21, 19, 12), (7, 20, 29, 4), (17, 25, 24, 9), (15, 28, 29, 4)]\"\n\"[-0.5766472 -2.70995651 -0.22577666 1.59404787 4.66460376 12.63673102\n -2.08230752 -0.73088722 -1.28015275 2.35039349 2.05173893]\",[-146.5227917],28844,175,Optimization terminated successfully.,True,270,1.784199670118089,3s9t,127.22636162436734,6.820000171661377,23,5,\"[(0, 1, 6, 7), (1, 6, 7, 8), (6, 7, 8, 9), (13, 12, 8, 7), (13, 14, 18, 19)]\"\n\"[-2.58068395e+00 -2.32741261e+00 -5.32550036e-02 3.24849043e+01\n 1.83524964e+02 1.42806866e+02 9.86494655e-01 1.94260323e+00]\",[-60.85959523],12020,75,Optimization terminated successfully.,True,261,2.140349062117446,6awo,34.03232703543593,8.699999809265137,20,2,\"[(9, 8, 6, 5), (14, 15, 16, 17)]\"\n\"[ -0.35217466 0.82968271 0.63739705 32.69665606 93.31704266\n -10.4829102 2.50743289 -1.93020764 -1.23227897 -2.98383072]\",[-103.26211724],28655,186,Optimization terminated successfully.,True,310,2.2241344478177987,1fpi,86.10392958592774,5.889999866485596,23,4,\"[(1, 0, 4, 5), (6, 5, 4, 0), (7, 6, 5, 4), (14, 13, 12, 7)]\"\n\"[-1.56889543 0.6475728 -0.13189996 33.96017417 -0.74907228 35.31892577\n -1.64643145 -1.43223974]\",[-54.50317278],11421,71,Optimization terminated successfully.,True,165,0.7498907720440615,3f35,38.1472838895577,3.1600000858306885,11,2,\"[(3, 2, 1, 0), (5, 6, 7, 8)]\"\n\"[ 1.53246150e+00 1.34813853e+00 -8.21623121e-01 4.23367688e+00\n 6.84194031e-01 1.65215909e+01 -1.37896401e+00 -2.12404856e+00\n -1.86566969e+00 6.83517464e-01 2.87124760e-01 2.46968261e-01\n -2.07302662e+00 -8.37143364e-01 -1.29985133e+00 1.34236333e+00\n 2.00410722e+00 -7.41379685e-01 1.43086708e-01 -2.26731912e-01\n 1.39689710e+00 1.53162971e+00 -4.04113068e-02 7.90200433e-03\n 2.53132745e+00 7.86180514e-01 6.41635433e-01 2.34986650e+00\n 9.26107103e-03 -1.04431536e-01 -8.18852913e-02 -1.72349577e+00\n -1.38521923e+00 -2.83695896e-01 1.44441612e+00 -1.51218562e+00\n -6.18082946e-01 -2.74928897e+00 1.82048819e+00 1.34113849e+00]\",[-102.13019553],90779,500,Maximum number of iterations has been exceeded.,False,682,5.357661339075975,3fsm,264.57420662616096,7.0,54,34,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 10, 11), (5, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 17), (12, 18, 19, 20), (18, 19, 20, 25), (18, 19, 21, 22), (19, 20, 25, 26), (19, 21, 22, 23), (21, 22, 23, 24), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 33, 34), (26, 29, 30, 31), (29, 30, 31, 32), (27, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 42, 43), (34, 37, 38, 39), (37, 38, 39, 40), (35, 42, 43, 44), (42, 43, 44, 45), (42, 43, 46, 47), (43, 46, 47, 48), (46, 47, 48, 49), (47, 48, 49, 50)]\"\n\"[ 2.1221704 -1.19274157 -1.68167931 -34.71362154 -6.39468084\n 6.11934434 1.23260295 -0.17411326]\",[-33.42875076],21776,138,Optimization terminated successfully.,True,135,0.9888611521294566,4mfe,15.78816541944257,2.2699999809265137,7,2,\"[(1, 0, 3, 4), (0, 3, 5, 6)]\"\n\"[-0.65555379 -1.72877295 -0.4673928 13.749123 -8.14327666 21.19175503\n 0.85480939 0.95566861 1.74937383 1.25736073 0.45136561 1.08484188\n 0.59222962 0.69735798 -1.32432359 0.17143192 -1.75336676 2.53785143\n 0.09503402 -2.03585077 0.0535892 -0.88680921 0.71871256 0.29210626\n 1.53277774 1.55033385 -0.97594721 -2.81384236 -1.23311986 -0.48415232\n 2.24783741 0.26902838 0.95274668 0.76045676 0.05838904 0.12623945\n -0.48072435 -1.90687848 0.49787997 -0.53559329 1.58730429 -0.89153191\n -1.85075511 0.03802416 -1.20392903 1.23918789 1.169477 0.15836669\n 1.04741372 0.20279894 2.30930104 -0.77025317 2.03047143 2.71341891\n -2.0507282 -0.62812863 -2.65785209 1.19909376 -1.28891906 2.14391897]\",[-81.54962356],95731,500,Maximum number of iterations has been exceeded.,False,1345,6.474074105852187,3iwy,50.45360888766151,7.28000020980835,109,54,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (11, 10, 9, 8), (8, 9, 20, 21), (12, 11, 10, 9), (9, 20, 22, 23), (20, 22, 23, 24), (25, 24, 23, 22), (22, 23, 34, 35), (26, 25, 24, 23), (37, 36, 34, 23), (36, 37, 41, 42), (37, 41, 43, 44), (41, 43, 44, 45), (43, 44, 45, 46), (43, 44, 49, 50), (44, 45, 46, 47), (44, 49, 51, 52), (49, 51, 52, 53), (51, 52, 54, 55), (52, 54, 56, 57), (54, 56, 57, 58), (56, 57, 58, 59), (61, 60, 57, 56), (57, 58, 67, 68), (62, 61, 60, 57), (58, 67, 68, 69), (67, 68, 69, 70), (67, 68, 71, 72), (68, 69, 76, 77), (68, 71, 72, 73), (71, 72, 73, 74), (69, 76, 77, 78), (76, 77, 79, 80), (77, 79, 81, 82), (79, 81, 82, 83), (81, 82, 83, 84), (81, 82, 87, 88), (82, 83, 84, 85), (82, 87, 89, 90), (87, 89, 90, 91), (89, 90, 91, 92), (89, 90, 95, 96), (90, 91, 92, 93), (90, 95, 97, 98), (95, 97, 98, 99), (97, 98, 99, 100), (97, 98, 106, 107), (98, 99, 100, 101), (99, 100, 101, 102), (100, 101, 102, 103)]\"\n\"[ 0.62108573 2.48056836 -1.38447157 21.16381712 30.53432959 13.79720369\n -1.44592066 2.23663587 1.81545163 -0.13389047 1.35920601 -1.69948\n 0.50953604 -1.32780752 0.37934214 0.98455066 -1.73326535 -0.37210438\n 0.03409227 -2.95528469 -0.90385674]\",[-82.47941692],85070,500,Maximum number of iterations has been exceeded.,False,508,4.347110327513227,4djr,211.9704580595286,11.520000457763672,40,15,\"[(2, 3, 6, 7), (3, 6, 7, 8), (6, 7, 8, 9), (7, 8, 10, 11), (8, 10, 11, 12), (13, 12, 11, 10), (10, 11, 19, 20), (14, 13, 12, 11), (11, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (21, 22, 28, 29), (22, 23, 24, 25), (23, 24, 26, 27), (32, 31, 28, 22)]\"\n\"[ 0.05860709 0.08493522 -1.8562112 -24.05826196 -5.67223142\n -10.21576577 -2.39002366]\",[-70.12311141],10322,60,Optimization terminated successfully.,True,186,0.8362569946423657,5f2p,50.280435585710464,4.429999828338623,15,1,\"[(8, 7, 12, 4)]\"\n\"[-5.75186621e-01 1.93313306e+00 2.22130736e-02 4.20788862e+00\n 4.28350531e+01 6.36964312e+00 2.95661205e-01 -4.26842016e-01\n 2.46018056e-01 8.54711328e-01 -2.02782510e+00 -3.06462722e+00]\",[-180.42274157],55913,353,Optimization terminated successfully.,True,422,0.9762182325106893,4p7e,158.58984006776538,4.760000228881836,30,6,\"[(24, 5, 0, 6), (1, 24, 5, 0), (12, 11, 8, 7), (26, 16, 27, 17), (19, 18, 17, 27), (16, 27, 17, 18)]\"\n\"[ 0.61542303 -2.10741618 2.13350224 33.05487529 63.99389849 9.71953191\n -1.0325399 -0.61801103 -2.91785967 -0.78586071 -1.14557795 -0.58204296\n -0.89122341 2.08661209 0.87551971 0.93760068 3.04972504 -0.87048416\n 2.57691364 2.25949966 -1.28723542 -1.48206036 -1.1143832 -1.37355887\n -2.9229679 2.08082419 1.67190239]\",[-94.32716794],82366,500,Maximum number of iterations has been exceeded.,False,524,3.893880323711946,1ibc,108.23333237133673,10.25,44,21,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (8, 7, 4, 3), (4, 5, 17, 18), (9, 8, 7, 4), (5, 17, 18, 19), (17, 18, 19, 20), (17, 18, 21, 22), (18, 19, 26, 27), (18, 21, 22, 23), (21, 22, 23, 24), (19, 26, 27, 28), (26, 27, 28, 29), (31, 30, 27, 26), (27, 28, 36, 37), (32, 31, 30, 27), (28, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 40, 41, 42)]\"\n\"[-3.11435724e+00 -1.33682721e+00 -2.50573962e+00 2.10663956e+01\n -2.99900390e+00 1.20127470e+01 -2.54872101e+00 1.87925330e+00\n 1.34955664e+00 -1.76024605e-02 3.11088531e+00]\",[-77.82781179],34100,211,Optimization terminated successfully.,True,432,2.012856207346128,4epy,72.70949071187059,3.4700000286102295,27,5,\"[(3, 2, 1, 0), (8, 7, 1, 0), (9, 8, 7, 1), (17, 16, 15, 14), (18, 17, 16, 15)]\"\n\"[ -1.33325953 -0.74469223 3.02682365 -11.0123846 30.87762285\n 16.55952437 0.97280745 -2.90460817 -1.3115123 ]\",[-75.22439866],9678,55,Optimization terminated successfully.,True,233,1.1376457439653151,2yhy,50.09107595654847,5.599999904632568,15,3,\"[(0, 2, 3, 4), (2, 3, 4, 5), (9, 11, 12, 13)]\"\n\"[ 1.73369539 1.74174572 -0.14779379 -2.22645093 12.57211168 23.29654164\n -1.50917376 -1.10506816 2.50948267 -1.53619457 1.51322757 1.89203149\n -0.59757759 0.24032487 -2.2574716 ]\",[-262.31286512],33682,210,Optimization terminated successfully.,True,420,2.2607975793146013,5vc5,247.51423418258565,7.960000038146973,35,9,\"[(0, 1, 2, 3), (1, 2, 3, 4), (1, 2, 5, 6), (2, 5, 6, 7), (8, 7, 6, 5), (9, 8, 7, 6), (13, 12, 11, 10), (14, 13, 12, 11), (26, 25, 20, 19)]\"\n\"[-1.77151164e+00 1.52473545e+00 9.51488333e-01 -8.68805863e+00\n -2.32278512e+01 1.88082892e+01 -2.59295436e+00 2.35202382e-01\n 2.42704107e+00 1.43720647e-02 -1.24804786e-01]\",[-142.05886556],25542,152,Optimization terminated successfully.,True,562,1.2698587393484364,5wr7,130.12427580294985,8.960000038146973,41,5,\"[(0, 1, 23, 4), (25, 5, 4, 23), (5, 4, 23, 1), (16, 17, 36, 37), (17, 36, 37, 18)]\"\n\"[-2.45380804 -1.35542466 -1.48943571 34.19232528 42.89351381 34.70808945\n -3.03789283 2.73880253 -2.82578543]\",[-33.63871442],29563,190,Optimization terminated successfully.,True,160,0.927870020926123,1a7t,27.089166453777924,1.6399999856948853,12,3,\"[(2, 3, 6, 7), (3, 6, 7, 8), (6, 7, 8, 9)]\"\n\"[ -1.68983602 -1.33542365 -1.0424921 -12.70903753 -8.00773829\n -5.08732185 1.64065832 -2.10330834 -2.09167078 -0.07815711\n -1.04008289 -0.44340889 2.02772077 1.62459625 1.23764488\n 1.06305989 2.8523947 ]\",-59.575096893102526,77031,500,Maximum number of iterations has been exceeded.,False,561,3.5271834224815692,6edr,42.656056651751285,4.550000190734863,44,11,\"[(4, 3, 1, 0), (10, 9, 8, 4), (10, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 21, 22), (18, 21, 22, 23), (21, 22, 25, 26), (27, 26, 25, 22), (28, 27, 26, 25), (35, 34, 33, 28)]\"\n\"[-1.61421674 0.58887365 -1.92255925 72.23210424 6.8106103 24.83128709\n 1.0039241 ]\",[-58.10672365],10160,59,Optimization terminated successfully.,True,168,0.4706172558149883,3ixg,46.355862470703414,7.570000171661377,12,1,\"[(4, 3, 0, 1)]\"\n\"[-2.03802569e-02 1.47372640e+00 1.97981138e+00 4.82281717e+01\n -3.68744423e+01 4.99763101e+01 -1.89047667e+00 -1.44925625e+00\n -4.00095432e-01 1.65161713e+00 1.68841399e+00 7.26478778e-01\n -1.45588203e+00 2.40750935e+00]\",[-120.0552929],54785,349,Optimization terminated successfully.,True,476,3.1860501762681284,1mmq,98.13275225058473,7.519999980926514,33,8,\"[(2, 0, 4, 5), (4, 0, 2, 3), (0, 4, 5, 20), (4, 5, 20, 21), (4, 5, 6, 8), (9, 8, 6, 5), (24, 9, 8, 6), (5, 20, 21, 23)]\"\n\"[ 0.45500901 0.99289782 0.47954695 17.78741139 12.1068369 16.51388532\n -0.65629022 -1.82087263 1.22806344 0.12208229 -0.08324258 3.02142503\n -2.5558682 ]\",[-128.46696603],79192,500,Maximum number of iterations has been exceeded.,False,538,3.6101086823875796,2i2c,94.32444374899765,4.699999809265137,38,7,\"[(11, 10, 9, 5), (11, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (21, 20, 19, 18), (22, 21, 20, 19), (29, 28, 27, 22)]\"\n\"[ -2.71847728 -0.90726271 -1.19630956 -13.00904234 9.04335385\n 39.50913225 -1.37260306 -1.96470408 -0.41548283 0.96115879\n 0.56001795]\",[-66.08757046],24812,151,Optimization terminated successfully.,True,251,2.2292413582037898,4aci,48.97987774760004,2.2200000286102295,13,5,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 6, 7), (3, 4, 10, 11), (4, 6, 7, 8)]\"\n\"[-0.65348304 0.71660426 2.54237807 22.67455738 36.83846952 8.90141388\n 2.86130584 1.26144012 0.66045928 -2.10756311 -1.17797294]\",[-68.44146178],36012,227,Optimization terminated successfully.,True,401,2.107260211699504,1h8s,53.328055737386165,5.809999942779541,24,5,\"[(9, 1, 6, 8), (14, 15, 3, 8), (15, 3, 8, 6), (5, 13, 4, 20), (1, 6, 8, 21)]\"\n\"[-1.2484698 -0.29291619 0.81013396 48.59235929 57.25677664 19.17151292\n 0.35939005 0.26645274 2.04550537 0.13771942 -3.01787424 0.86700652\n 0.91146624]\",[-92.35408682],54414,340,Optimization terminated successfully.,True,445,1.5773321637309106,1wxz,101.71414116271893,8.069999694824219,30,7,\"[(8, 7, 2, 1), (10, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (23, 21, 18, 17), (24, 25, 27, 28)]\"\n\"[-2.43353406 2.75528736 -2.07355008 42.71426741 36.17682093 81.70904861\n 0.79349308 -0.70163178 1.17167915 0.45719262 -0.79892537 -2.05098321\n 2.94686365 0.54082235 2.89708691]\",[-108.26382647],76046,500,Maximum number of iterations has been exceeded.,False,452,2.5050861552183323,4bcb,123.35811893342604,8.520000457763672,28,9,\"[(9, 0, 1, 2), (1, 0, 9, 10), (3, 2, 1, 0), (4, 3, 2, 1), (13, 20, 9, 0), (14, 13, 12, 11), (22, 21, 12, 11), (14, 15, 16, 17), (21, 25, 26, 27)]\"\n[ 2.23646886 -0.33694567 -1.49216887 15.67579553 2.05287187 15.21006666],[-96.2506091],8529,49,Optimization terminated successfully.,True,142,0.00010577285302213663,4q7s,80.52306550926572,4.420000076293945,9,0,[]\n\"[ -0.0709936 -0.98221163 1.32849126 -41.95537246 40.62251857\n -16.30424056 -0.30198507 -0.71312726 1.49093675 -1.19025404\n 0.31029055 2.52288547 1.93456668 -0.15209363]\",[-77.86396915],80019,500,Maximum number of iterations has been exceeded.,False,291,3.1476808275330503,6fgf,83.52116532842686,3.9600000381469727,24,8,\"[(1, 2, 6, 19), (2, 6, 19, 7), (19, 7, 8, 9), (8, 7, 19, 6), (7, 8, 9, 20), (8, 9, 20, 10), (12, 11, 10, 20), (11, 10, 20, 9)]\"\n\"[ 0.13302471 -0.52305622 -1.07526766 -5.12501914 4.33710191 13.76834845\n 2.27154574 -0.86440226 0.86643525 -1.94577443 -2.92942056 -0.99749785\n -1.24795228]\",[-123.55067601],56928,358,Optimization terminated successfully.,True,316,1.2472267968126287,6ebe,96.96807121876212,6.699999809265137,28,7,\"[(15, 1, 24, 25), (3, 4, 21, 22), (5, 6, 10, 11), (3, 8, 17, 18), (6, 10, 11, 12), (14, 12, 11, 10), (0, 14, 12, 11)]\"\n\"[-0.94947617 -1.38023671 1.91468538 10.29056115 13.40864358 35.21042982\n -1.50998541 -0.47024584 -2.08211638 0.8176836 -1.54746526 -1.57422772\n 2.45725283 -1.4403351 2.22358023 -1.69422624]\",[-97.94372434],39546,240,Optimization terminated successfully.,True,635,5.2718317589133985,4mbp,81.1741188782184,5.639999866485596,45,10,\"[(14, 19, 0, 1), (3, 4, 5, 10), (25, 30, 11, 12), (0, 19, 14, 13), (14, 15, 16, 21), (36, 42, 22, 23), (11, 30, 25, 24), (25, 26, 27, 32), (22, 42, 36, 35), (36, 37, 38, 44)]\"\n\"[ 1.62364608e+00 2.22363142e+00 -3.07951324e+00 -1.53895921e+01\n 3.00744798e+01 -1.68887517e+00 1.11252138e+00 1.58313849e+00\n 2.83254884e+00 2.71581511e+00 2.71069091e-02 -2.70642730e-01\n 1.76252064e+00 3.98946741e-01 2.05560528e+00 1.74858578e+00\n -6.67302395e-01 -2.52513338e-01]\",[-56.73539588],83537,500,Maximum number of iterations has been exceeded.,False,561,4.178960298470758,5ml6,126.1186895138197,9.449999809265137,45,12,\"[(0, 5, 6, 7), (5, 6, 7, 8), (9, 8, 7, 6), (6, 7, 19, 20), (10, 9, 8, 7), (11, 13, 14, 15), (23, 22, 19, 7), (24, 27, 28, 29), (32, 31, 28, 27), (33, 32, 31, 28), (38, 37, 31, 28), (39, 38, 37, 31)]\"\n\"[ 1.99017523e+00 -1.80927703e+00 -3.44146632e-01 5.07259548e+01\n 1.18863131e+01 4.87565723e+00 2.07458103e+00 -2.57131545e+00\n -1.09776433e+00 -2.47467540e+00 -3.33680974e-02 -2.00771376e-01\n -1.96178571e+00 -1.46274783e+00 2.88474380e+00 8.18661234e-01]\",[-213.78627156],64049,389,Optimization terminated successfully.,True,614,3.9157716793463155,6cpw,212.3806516263004,8.25,47,10,\"[(3, 2, 1, 0), (21, 20, 1, 0), (7, 6, 5, 4), (11, 10, 9, 8), (22, 21, 20, 1), (23, 24, 26, 27), (23, 24, 28, 29), (31, 30, 28, 24), (32, 31, 30, 28), (41, 40, 34, 33)]\"\n\"[ 1.46400043e+00 1.03206035e+00 -3.09153208e-02 4.95461403e+01\n 6.15573106e+01 1.22147786e+01 -1.20862917e-01 4.85268771e-01\n -2.39246501e-02 -8.36196571e-02]\",[-146.71242558],28166,179,Optimization terminated successfully.,True,383,1.5222860799617022,3m8p,81.9624159689599,8.680000305175781,28,4,\"[(9, 1, 0, 2), (10, 9, 1, 0), (17, 12, 11, 10), (18, 17, 12, 11)]\"\n\"[ 1.09942142 -1.94189576 1.1928167 -39.26733227 -11.40976289\n 11.56889587 -1.33069691 0.13155067]\",[-256.24727875],8118,44,Optimization terminated successfully.,True,309,1.1334136873477478,4bs4,247.26090357194198,8.220000267028809,20,2,\"[(2, 1, 18, 0), (8, 7, 6, 3)]\"\n\"[ 1.00499438 0.70606531 0.89937676 11.04298017 31.98796571 9.53001063\n -1.65457848 -1.58200054 -0.06089127 -2.30260676 -3.00260115 3.0782323\n 2.17114486]\",[-88.31846643],71328,446,Optimization terminated successfully.,True,365,1.257232063006573,5eyr,91.87382466794541,5.300000190734863,24,7,\"[(0, 2, 21, 22), (1, 9, 8, 6), (18, 14, 15, 16), (13, 19, 14, 15), (17, 16, 15, 14), (5, 17, 16, 15), (2, 21, 22, 23)]\"\n\"[ -0.96121523 0.31679602 2.9182945 -30.83108192 -13.38118836\n -18.85024495 2.05757544]\",[-57.37635746],11462,66,Optimization terminated successfully.,True,220,0.9127418198477081,5ost,38.30679517598779,4.559999942779541,14,1,\"[(0, 1, 2, 11)]\"\n\"[-1.42455938e+00 5.19600283e-01 2.99819463e+00 3.82631564e+01\n 2.34888897e+01 -4.04364830e+01 -1.44989909e+00 -2.20645313e+00\n -3.31137942e-01 2.11986312e+00 -6.84250571e-01 9.55201617e-03\n -2.91998715e+00 -2.47162678e-01 1.40762997e+00 -1.33082431e+00]\",[-75.76571181],81299,500,Maximum number of iterations has been exceeded.,False,486,4.091899240989285,4mq1,59.41439964644112,7.920000076293945,37,10,\"[(0, 1, 15, 2), (9, 6, 21, 19), (7, 24, 10, 25), (24, 10, 26, 27), (28, 11, 27, 26), (27, 11, 28, 29), (4, 18, 19, 20), (6, 21, 19, 18), (10, 26, 27, 11), (31, 30, 27, 11)]\"\n\"[-1.52366613 3.00629586 1.96352499 10.37479402 39.21939499 35.42496622\n -1.59681498 0.93123238 -2.10305671 2.3587828 0.58728727 0.19958878\n 1.87122576 -1.85719244 -2.53998669 0.19965847]\",[-96.17779569],81180,500,Maximum number of iterations has been exceeded.,False,460,2.663253339297255,2gm1,92.72852221148221,7.0,36,10,\"[(13, 2, 1, 11), (0, 11, 1, 2), (2, 1, 22, 23), (19, 18, 17, 2), (7, 19, 18, 17), (1, 22, 23, 24), (1, 22, 27, 28), (22, 23, 24, 25), (23, 24, 25, 26), (30, 29, 27, 22)]\"\n\"[ 0.76393463 2.67804983 0.40063207 12.31448373 36.0689564 34.29277695\n 2.67376555 -3.05911639]\",[-80.89876466],13801,85,Optimization terminated successfully.,True,216,0.7968835660979463,1ajq,66.22940181635991,4.309999942779541,9,2,\"[(0, 1, 5, 6), (1, 5, 6, 8)]\"\n\"[-0.90315125 -1.9008244 -2.86637831 52.14828822 40.35798149 1.08734341\n 1.13092929 1.63638494 -1.7138574 0.33509392 -1.9607375 ]\",[-78.89978976],31812,197,Optimization terminated successfully.,True,451,1.4949394792995996,6etj,68.71770122719019,6.71999979019165,28,5,\"[(9, 8, 7, 2), (9, 13, 14, 15), (18, 17, 14, 13), (19, 18, 17, 14), (20, 24, 25, 26)]\"\n\"[-1.15440746e+00 9.22142933e-01 1.32161378e-01 3.42796064e+01\n 2.24428564e+02 1.45679050e+02 -3.29401871e-01 -1.20720631e+00\n -2.09163342e+00 2.26401240e-01 -2.78516696e+00 -3.11357085e+00\n -6.67073690e-01 2.26736665e+00 -1.08773310e+00]\",[-99.61233772],76702,500,Maximum number of iterations has been exceeded.,False,400,2.195302295939588,6fdc,158.13776008353685,5.639999866485596,31,9,\"[(6, 1, 0, 17), (21, 22, 2, 23), (24, 23, 2, 22), (9, 8, 7, 28), (10, 9, 8, 7), (12, 11, 10, 9), (13, 12, 11, 10), (5, 21, 22, 2), (3, 24, 23, 2)]\"\n\"[ 1.69694297 -3.06050107 2.38351368 22.38334503 59.04723749 19.7922529\n 0.65288935 0.37737147 -0.59117147 2.66089953]\",[-157.50523905],20699,129,Optimization terminated successfully.,True,534,1.9817348332160065,5agj,175.20083753187626,6.150000095367432,33,4,\"[(8, 7, 21, 22), (24, 29, 11, 12), (23, 22, 21, 7), (24, 23, 22, 21)]\"\n\"[-2.89254069e-01 1.38873054e-01 1.51720976e-01 1.95912433e+01\n 1.67251714e+01 5.67385824e+01 -6.40623537e-01 -3.12378497e+00\n -1.63858875e+00 2.71889110e+00 -1.95537185e+00 8.00791297e-01\n -2.98515286e+00 -9.31880282e-01 7.04183141e-01 4.68745526e-01\n 4.48858769e-01 -1.50638527e+00 -2.51145847e-01 1.17140312e+00\n 6.26689632e-01 4.85625176e-02 2.39756781e+00 2.86198542e+00\n 2.15667947e+00 -2.13671793e-01 -2.15867746e+00 2.33034063e+00\n -6.48565467e-01 1.78466275e+00 2.15717191e+00 8.27078718e-01\n -2.24560164e-01 -1.65860873e-02 5.42194075e-01 1.20040200e+00\n 7.73272397e-01]\",[-68.72621067],96713,500,Maximum number of iterations has been exceeded.,False,699,4.4873851523871995,3dda,82.60050107954586,3.880000114440918,50,31,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 20, 21), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (11, 20, 21, 22), (20, 21, 22, 23), (21, 22, 25, 26), (22, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 32, 33), (27, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 41, 42), (33, 36, 37, 38), (36, 37, 38, 39), (37, 38, 39, 40), (34, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 45, 46, 47), (45, 46, 47, 48)]\"\n\"[ 2.72786314e+00 1.46834466e+00 8.43186952e-01 -2.16651256e+01\n 2.96831756e+00 2.12996097e+01 -5.97463699e-01 -3.96068988e-01\n 3.02046202e-01 2.31356802e-01 1.34551081e+00 1.36385153e+00\n 9.15634564e-01 -1.19161686e+00 -2.23295525e+00 2.89323122e+00\n 7.69024311e-01 1.38711868e+00 1.92368306e+00 -2.20042857e-01\n -1.55770629e+00 -1.23180619e+00 -2.65747400e-03 -2.39806674e+00\n -8.91691031e-01 -3.51152115e-01 -1.54204063e+00 -6.13188984e-01\n -2.40239615e+00 -1.92523090e+00 -6.61428751e-01 1.93078112e-01\n -2.26538608e+00 2.98805248e-01 4.66422576e-01 4.43989715e-01\n 2.73033066e-01 -1.69533955e+00 -9.06877872e-01 -2.24906774e+00\n 9.63311281e-01 -4.96279768e-02]\",[-106.74288619],92166,500,Maximum number of iterations has been exceeded.,False,970,6.525558522003658,3l81,85.35203483537232,4.53000020980835,69,36,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (12, 11, 8, 7), (8, 9, 19, 20), (13, 12, 11, 8), (9, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 28, 29), (20, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (21, 28, 29, 30), (28, 29, 30, 31), (33, 32, 29, 28), (29, 30, 39, 40), (34, 33, 32, 29), (30, 39, 40, 41), (39, 40, 41, 42), (44, 43, 40, 39), (40, 41, 50, 51), (45, 44, 43, 40), (41, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55), (51, 52, 59, 60), (51, 54, 55, 56), (54, 55, 56, 57), (52, 59, 60, 61), (59, 60, 61, 62), (59, 60, 63, 64), (60, 63, 64, 65), (63, 64, 65, 66)]\"\n\"[ 0.46677222 2.41057947 2.68861388 26.39779848 -15.9488129\n -13.13641692 -1.23750144 3.02161742]\",[-194.36614032],15553,97,Optimization terminated successfully.,True,485,1.0414090230311248,1m9n,173.158737831301,6.920000076293945,24,2,\"[(12, 11, 14, 16), (17, 16, 14, 11)]\"\n\"[ -2.6684041 -0.25466306 1.72707046 -10.86089808 -43.35159111\n -27.12943334 -0.39472461 1.08592786 0.99150047 -1.28147093\n -1.90527541 -2.10580416 -0.20934697 1.0001246 -0.22367446\n -0.81037508]\",[-67.11661287],81401,500,Maximum number of iterations has been exceeded.,False,477,3.482468829145045,6mvx,28.29910938081043,5.139999866485596,28,10,\"[(12, 0, 1, 2), (5, 12, 0, 1), (13, 2, 1, 0), (3, 13, 2, 1), (12, 5, 27, 6), (27, 6, 16, 21), (5, 27, 6, 16), (18, 8, 9, 25), (10, 25, 9, 8), (7, 10, 25, 9)]\"\n\"[ 2.63505662 1.88188066 1.57659672 1.39646472 15.91965601 9.56756628\n -2.5486468 0.89758949 -2.29233312 -2.81386756 -0.56676476 -0.46835068\n -1.67372745 2.59784013 -2.97559525 -1.95394688]\",[-94.05367622],52495,317,Optimization terminated successfully.,True,328,2.106739982831241,1f74,63.83975513800097,3.049999952316284,20,10,\"[(2, 0, 3, 5), (0, 3, 5, 6), (3, 5, 6, 7), (5, 6, 7, 13), (6, 7, 13, 12), (6, 7, 8, 9), (7, 8, 9, 11), (7, 13, 14, 16), (13, 14, 16, 18), (14, 16, 18, 19)]\"\n\"[ -1.88918887 1.84563005 1.48539633 3.13587319 -12.17964216\n -21.81580575 -2.80002506 2.83116548 1.06257336]\",[-64.81889483],20949,132,Optimization terminated successfully.,True,244,1.1099686172755612,4luo,54.73507571779237,3.240000009536743,21,3,\"[(7, 5, 0, 1), (12, 6, 1, 0), (2, 3, 18, 19)]\"\n\"[ 1.38908244 1.71262186 0.03300086 1.4574464 -0.02648248 25.63893156\n 2.83195316 -0.12595459 -0.66502393 0.97859148 1.35340795 3.1046885\n 1.10681713 0.29931502 -1.78889405 0.77284788 -0.23888595 -1.64024098\n -1.81467154 2.74359306 -1.33387001 -1.38050629 1.42684812 1.6190956\n 2.94315299 0.47653962 -2.88564423 -2.17757693 -0.82527724 -1.88375924\n 1.61027336 -0.76937524]\",-55.51273594874637,80853,500,Maximum number of iterations has been exceeded.,False,560,4.596200419549944,4j78,86.4029610904411,4.650000095367432,42,26,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 16, 17), (11, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 25, 26), (17, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (18, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 33, 34), (26, 29, 30, 31), (27, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 37, 38, 39)]\"\n\"[ 2.41378259 -2.50874455 0.34124085 14.16616459 2.49692968 15.08954946\n 0.97781184]\",[-70.14817946],8440,51,Optimization terminated successfully.,True,169,0.24025104300851724,1sw1,54.829205716312934,7.300000190734863,10,1,\"[(0, 2, 7, 8)]\"\n\"[ 1.84461514e+00 -2.24267674e+00 -2.39318563e+00 6.15049749e+01\n 3.89936212e+01 2.58753001e+01 9.07293730e-01 -1.83935175e+00\n 9.07764547e-01 -1.60940070e+00 2.32981806e+00 -8.36864582e-01\n 4.34486295e-01 -1.73550263e+00 9.44382516e-01 1.47910386e+00\n -2.69734968e+00 -1.79821699e+00 -4.76682135e-02 -1.05654846e+00\n 2.11606832e+00 1.36635032e+00 1.01468217e+00 2.68664264e+00\n 4.20975299e-01 1.91247756e+00 1.55544718e-01 -7.96075871e-01\n 6.26109502e-01 -2.46255304e+00 -1.11693180e+00 -2.86208801e+00\n 1.04848053e+00 6.47067307e-01 5.22490503e-01 -2.66050985e+00]\",[-88.27667523],92178,500,Maximum number of iterations has been exceeded.,False,1028,7.1585885362689785,1ov3,102.45923075253683,6.71999979019165,78,30,\"[(0, 1, 2, 3), (6, 5, 2, 1), (5, 6, 7, 8), (13, 12, 7, 6), (12, 13, 14, 15), (13, 14, 19, 20), (14, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 25, 26), (21, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (34, 33, 27, 26), (26, 29, 30, 31), (33, 34, 35, 36), (41, 40, 35, 34), (40, 41, 42, 43), (48, 47, 42, 41), (47, 48, 49, 50), (48, 49, 54, 55), (49, 54, 55, 56), (54, 55, 56, 57), (54, 55, 58, 59), (66, 65, 56, 55), (55, 58, 59, 60), (58, 59, 60, 61), (59, 60, 61, 62), (65, 66, 67, 68), (73, 72, 67, 66)]\"\n\"[ 2.91610645 1.13821474 0.11506684 -40.6347081 -5.40004902\n 54.15133207 1.50140725 1.39356954 2.47639657]\",-93.99135519311392,38154,247,Optimization terminated successfully.,True,314,1.831789099383978,4m48,82.44224035108972,6.809999942779541,20,3,\"[(0, 1, 2, 3), (1, 2, 3, 4), (5, 4, 3, 2)]\"\n\"[ 2.09851993 -0.45484317 0.30285276 -4.63047181 62.9671472 -2.50228581\n 0.38193567 -2.51040755 0.15506726 1.13361081 -3.12220905 2.77014772\n -0.73736516]\",[-221.19779574],26858,163,Optimization terminated successfully.,True,346,1.037561616157665,4mf0,208.28176812728842,8.079999923706055,31,7,\"[(4, 3, 1, 0), (5, 4, 3, 1), (11, 10, 7, 6), (10, 12, 13, 14), (16, 15, 13, 12), (17, 16, 15, 13), (26, 25, 21, 20)]\"\n\"[-0.09933428 -0.41137211 0.48924546 -3.83409985 -3.14567705 24.87597803\n -0.3505588 -0.27776933 1.88603453 -2.77677212 -2.44941563 -0.82283868\n 1.88691754]\",[-121.99601676],26074,156,Optimization terminated successfully.,True,483,3.516716266034447,4zo5,94.13283182187803,9.819999694824219,36,7,\"[(19, 20, 3, 6), (10, 5, 4, 19), (15, 19, 4, 5), (11, 10, 5, 4), (7, 22, 24, 9), (13, 29, 32, 33), (29, 32, 33, 34)]\"\n\"[-1.27856256 -1.40637597 0.99284021 15.79858717 7.89973607 11.88639762\n -2.18588144 -1.24310582 -2.88236272 2.20622327 -0.24394152 -1.46664275\n -2.00705436]\",[-173.56861378],48560,304,Optimization terminated successfully.,True,435,1.5103144384787557,5ew3,174.02665125028898,8.920000076293945,27,7,\"[(4, 3, 21, 19), (4, 5, 15, 24), (11, 10, 9, 20), (16, 20, 9, 10), (2, 16, 20, 9), (16, 17, 19, 21), (3, 21, 19, 17)]\"\n\"[-4.35841664e-01 -7.75294000e-01 1.73114095e+00 8.72410794e+01\n -2.98544215e+01 -1.05749339e+00 3.70311160e-02 3.61208087e-01\n 2.77758374e+00 1.53409631e+00 -2.92802772e+00 5.50280591e-01\n 1.66226153e+00]\",[-88.72960582],23074,140,Optimization terminated successfully.,True,376,2.8919433606189817,6hlx,57.800324572642744,7.170000076293945,20,7,\"[(3, 4, 5, 6), (1, 7, 8, 9), (7, 8, 9, 10), (8, 9, 11, 12), (9, 11, 13, 14), (11, 13, 15, 16), (13, 15, 17, 18)]\"\n\"[ 1.00155608 2.596901 0.59113475 28.80261199 9.32306753 20.6217788\n -1.05794286 -1.35942864 0.04063619 0.99648839 1.9275832 -2.3824571\n 2.67956788 -1.10197309 -2.50996765 1.22794365 -1.03696695 0.61280903\n -1.2023315 1.40560468 2.7910486 0.96114899 1.54119961 1.07371003\n 1.78161493 1.84453766 -0.06869453 0.09721849 -2.23731105 1.42558144\n -1.58711756 -1.86753367 2.81391389 0.08186697 -2.17827956]\",[-61.62186438],90447,500,Maximum number of iterations has been exceeded.,False,630,4.31682407015507,1slg,71.54440668808749,3.9000000953674316,59,29,\"[(4, 1, 2, 3), (5, 4, 1, 2), (1, 2, 11, 12), (7, 5, 4, 1), (2, 11, 12, 13), (15, 12, 13, 14), (13, 12, 15, 16), (12, 13, 17, 18), (13, 17, 18, 19), (21, 18, 19, 20), (22, 21, 18, 19), (28, 27, 19, 18), (24, 22, 21, 18), (27, 28, 29, 30), (28, 29, 34, 35), (29, 34, 35, 36), (38, 35, 36, 37), (36, 35, 38, 39), (35, 36, 43, 44), (35, 38, 39, 40), (38, 39, 40, 41), (36, 43, 44, 45), (47, 44, 45, 46), (45, 44, 47, 48), (44, 45, 51, 52), (44, 47, 48, 49), (45, 51, 52, 53), (55, 52, 53, 58), (53, 52, 55, 56)]\"\n\"[-0.15182331 -0.25768534 -0.13634159 13.87224084 12.79829758 30.86500848\n 3.02535026 0.74824005 -0.67706785 0.20864221 -0.09024229 2.53707528\n 1.4139347 -0.14411854 1.10049682 1.89615828 -1.45168475 0.27023642\n 0.20966403 1.97660378 -0.03707457 3.01938354]\",[-84.48996308],79868,500,Maximum number of iterations has been exceeded.,False,505,4.0364809068660685,2vsl,100.72472061025789,8.399999618530273,34,16,\"[(1, 0, 2, 3), (0, 2, 4, 5), (2, 4, 6, 7), (4, 6, 7, 10), (6, 7, 10, 11), (6, 7, 8, 9), (16, 15, 8, 7), (7, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (19, 16, 17, 18), (16, 17, 22, 23), (17, 22, 23, 26), (27, 26, 23, 22), (22, 23, 24, 25), (28, 27, 26, 23)]\"\n\"[ -3.07522576 -0.5306937 -1.06935186 12.10498542 -35.83927549\n -3.34218154 -0.14745519]\",-76.74416194272098,10948,69,Optimization terminated successfully.,True,220,0.0266026049661717,4fic,51.69966307299051,4.699999809265137,16,1,\"[(7, 6, 5, 0)]\"\n\"[ 0.53866445 1.30426257 0.51738164 18.64333998 -35.16913238\n 0.92707389 0.81938011 -0.48742825 -0.41281126 -0.12336655\n 0.49611799]\",-120.16271323515264,24276,155,Optimization terminated successfully.,True,327,1.2890523070361894,4jx7,99.55022370609724,6.909999847412109,30,5,\"[(5, 4, 1, 0), (11, 10, 9, 5), (12, 11, 10, 9), (23, 22, 21, 12), (24, 23, 22, 21)]\"\n\"[ 2.48946775 1.88088967 -1.74671248 -36.67816721 26.05243783\n -4.47208019 1.59370998 -2.85230064 -2.09561282 1.03451569\n -3.09625283 -0.04668243 -0.5762873 -0.15659968 -1.6412342\n 0.71909318 1.59532787 -0.8103673 2.23598356]\",-86.03586357092593,51492,335,Optimization terminated successfully.,True,847,6.603150943492356,3wqw,44.00735559474178,5.230000019073486,56,13,\"[(12, 9, 3, 2), (3, 4, 5, 11), (13, 12, 9, 3), (23, 20, 15, 14), (15, 16, 17, 22), (24, 23, 20, 15), (34, 31, 26, 25), (26, 27, 28, 33), (35, 34, 31, 26), (45, 42, 37, 36), (37, 38, 39, 44), (46, 45, 42, 37), (48, 49, 50, 55)]\"\n\"[ -2.70247453 2.27184154 0.79491208 28.99212367 -11.63940971\n 14.80761069 1.98174787 2.6366908 2.25762686 -1.06919281\n -0.4897379 2.7537291 ]\",[-88.13837661],46865,294,Optimization terminated successfully.,True,233,1.5156804610713903,2bes,71.07837822653497,4.239999771118164,14,6,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 8, 9), (6, 8, 10, 11), (8, 10, 12, 13)]\"\n\"[ 0.07037965 -3.02139289 -1.38269302 19.11237391 27.49244022 16.59597287\n 0.23747143 1.39092037 2.2029364 1.55695162 -1.71311295 3.02926277\n -3.0795103 2.95724816 -0.58304675 2.62732459 2.49731276 1.97704699]\",-124.08324040379944,81561,500,Maximum number of iterations has been exceeded.,False,463,3.4509272274552223,3ekx,210.80875769279496,9.40999984741211,40,12,\"[(7, 6, 17, 18), (6, 7, 10, 11), (7, 10, 11, 12), (10, 11, 12, 13), (6, 17, 18, 19), (17, 18, 19, 21), (18, 19, 21, 23), (18, 19, 22, 33), (19, 21, 23, 24), (34, 33, 22, 19), (26, 25, 23, 21), (35, 34, 33, 22)]\"\n\"[ 0.50186707 2.04585303 -0.49572242 19.7862443 -8.30541763 -4.54093563\n 0.90948183 1.38070461 -0.42274891 -1.18133553]\",-61.05898981757978,34281,226,Optimization terminated successfully.,True,245,1.6020640856807289,4wh9,38.132686378619724,3.0,17,4,\"[(0, 1, 4, 5), (1, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5)]\"\n\"[ 2.36434842e+00 1.75274472e-02 1.36692893e+00 6.73445185e+01\n -6.67607736e+01 4.17964519e+00 8.82603707e-01 2.15058943e+00\n -2.66728723e+00 -1.34093507e-01]\",-191.13717294924515,26931,177,Optimization terminated successfully.,True,339,1.2020854998275732,2cer,179.41534172669793,9.220000267028809,22,4,\"[(3, 2, 1, 0), (10, 11, 14, 15), (16, 15, 14, 11), (17, 16, 15, 14)]\"\n\"[ -0.63295461 0.99623783 2.28483981 -16.59121287 -5.27266902\n -11.4369216 -0.97596811 -1.89804623 -1.3690798 -0.42254452\n -2.47684731 2.77094881 -1.08207148 -0.36965149 0.50779288\n 0.69896722 0.31674213 1.49971362 0.91771892 2.42481941\n 2.3527314 2.91885899 2.02715102 -2.51830228]\",[-85.71980903],86793,500,Maximum number of iterations has been exceeded.,False,490,3.237919631056441,5dp9,144.83475507595264,6.079999923706055,37,18,\"[(4, 0, 2, 35), (34, 1, 3, 29), (3, 1, 35, 2), (0, 2, 35, 1), (1, 3, 29, 12), (27, 7, 24, 20), (16, 15, 8, 18), (15, 8, 18, 19), (15, 8, 31, 21), (14, 13, 12, 21), (13, 12, 21, 31), (13, 12, 29, 3), (10, 14, 13, 12), (5, 16, 15, 8), (8, 18, 19, 20), (18, 19, 20, 24), (19, 20, 24, 7), (12, 21, 31, 8)]\"\n\"[ 3.09600139e-01 -1.36961870e-01 2.20349457e+00 1.98100481e+02\n -1.21115700e+00 5.67823487e+01 5.22725368e-01 2.18588493e-01\n 1.01245153e+00 -1.18907344e-01 1.66685609e+00 8.28291599e-01\n 1.00560344e-02 1.28593171e-01 -1.33484697e+00 -7.85692158e-01\n -1.30019395e+00 7.21196952e-01 -1.50524410e+00 1.89431911e+00\n -1.25484186e-01 -3.35533924e-01 8.64260594e-01 1.11426289e+00\n -2.55691794e-01 -5.83604415e-01 -1.05983330e+00 -1.74712524e-01\n -9.46624414e-01]\",[-113.17528878],90894,500,Maximum number of iterations has been exceeded.,False,738,3.6813204023287502,2f9u,190.48658915441013,7.389999866485596,53,23,\"[(1, 0, 2, 3), (1, 0, 7, 8), (0, 2, 3, 4), (9, 8, 7, 0), (10, 9, 8, 7), (7, 8, 15, 16), (20, 19, 15, 8), (19, 20, 17, 18), (18, 17, 26, 27), (17, 26, 27, 28), (26, 27, 28, 29), (26, 27, 33, 32), (27, 28, 29, 30), (28, 29, 30, 31), (27, 33, 39, 34), (39, 35, 36, 37), (36, 35, 39, 33), (35, 36, 37, 38), (36, 37, 40, 41), (42, 41, 40, 37), (43, 42, 41, 40), (40, 41, 48, 49), (41, 48, 50, 51)]\"\n\"[ -1.68967659 -0.64594846 1.38474677 -2.4198112 1.5559476\n -14.358007 2.68679881 0.4295529 0.12039645 0.22372748\n 0.77194212 -0.92875147 0.07082063 1.88530781 -2.2160103 ]\",[-176.58884411],63736,411,Optimization terminated successfully.,True,596,1.6147545802969037,3uvq,164.6061622530919,7.769999980926514,39,9,\"[(2, 19, 38, 3), (31, 25, 22, 38), (25, 22, 38, 3), (35, 23, 26, 0), (17, 35, 23, 26), (9, 28, 24, 29), (8, 29, 24, 28), (13, 31, 25, 22), (10, 32, 26, 0)]\"\n\"[ 2.56617794 -1.06973611 0.24432605 2.07426162 -0.18136498 6.75164551\n 0.48486686 -2.79148631 -1.61417178 -2.54429817]\",[-55.19747329],64340,425,Optimization terminated successfully.,True,392,2.2090295879789736,5cuq,24.828499378885848,5.920000076293945,28,4,\"[(0, 11, 12, 13), (11, 12, 13, 14), (16, 15, 13, 12), (17, 16, 15, 13)]\"\n\"[-2.07644622e-01 -4.27952993e-01 -2.73136273e+00 -1.56244927e+01\n 2.96710157e+01 -7.05576432e+01 -1.28174741e+00 5.09571379e-01\n 1.90435097e+00 -6.14063485e-02 -1.49855272e-01 -7.17913506e-01\n 2.77760160e+00 1.06769355e+00 -1.57719570e-01 2.24735759e+00\n 9.81026925e-01 -2.97111958e+00 -1.50507481e+00 -1.38117632e+00\n 2.17790606e+00 -1.37176691e+00 -2.44383425e+00 1.21640347e+00\n 1.59954669e+00 1.85088278e+00 -9.22916224e-01 1.07408332e+00\n 5.91234346e-01 1.16808432e+00 -1.71623237e+00 1.10019523e+00\n 1.65111421e+00 1.89949768e+00 -2.61920109e+00 -2.04864672e+00\n 3.04498033e+00 2.91214239e-01 -2.84533067e+00 -4.33858475e-02\n -1.62224427e+00 4.06560560e-01 2.13290355e+00 5.59951900e-01\n -6.18434059e-01 8.17172825e-02 -2.06640213e+00 3.15174122e-01\n 2.00614391e+00 -1.16934395e+00 5.36972349e-02 5.36604359e-01\n -3.95805074e-01 -1.81325659e+00 8.98818266e-01 2.29343860e+00\n 1.41949369e+00 1.40888934e+00 -1.93933484e+00 8.87720754e-01\n 5.54105368e-01 -1.55524018e+00 -2.49802634e+00 2.53172412e+00\n -1.04104485e+00 2.46159564e-01 -5.41612140e-01 -2.78495482e+00\n -1.29492325e+00 -1.54362531e+00 -1.89585080e+00 1.83160760e+00\n 7.96053018e-01 1.07833438e+00 2.79394561e+00 2.66384931e+00\n -7.84123783e-02 -1.77114180e-01 7.66085873e-01 -1.39707403e+00\n 2.44758578e-01 2.68000892e+00]\",[-88.61453831],87393,500,Maximum number of iterations has been exceeded.,False,1460,7.248145197447194,4nuf,57.01559834257156,5.300000190734863,127,76,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (4, 5, 6, 7), (2, 8, 9, 10), (8, 9, 10, 11), (13, 12, 9, 8), (9, 10, 18, 19), (14, 13, 12, 9), (10, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 29, 30), (19, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (20, 29, 30, 31), (29, 30, 31, 32), (29, 30, 33, 34), (30, 31, 36, 37), (31, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 42, 43), (38, 42, 43, 44), (42, 43, 44, 45), (43, 44, 47, 48), (44, 47, 48, 49), (47, 48, 49, 50), (48, 49, 52, 53), (49, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 54, 60, 61), (53, 56, 57, 58), (54, 60, 61, 62), (60, 61, 62, 63), (60, 61, 64, 65), (61, 62, 69, 70), (61, 64, 65, 66), (64, 65, 66, 67), (62, 69, 70, 71), (69, 70, 71, 72), (69, 70, 73, 74), (70, 71, 78, 79), (70, 73, 74, 75), (73, 74, 75, 76), (71, 78, 79, 80), (78, 79, 80, 81), (79, 80, 83, 84), (80, 83, 84, 85), (83, 84, 85, 86), (83, 84, 87, 88), (84, 85, 91, 92), (84, 87, 88, 89), (85, 91, 92, 93), (91, 92, 93, 94), (91, 92, 95, 96), (92, 93, 100, 101), (92, 95, 96, 97), (95, 96, 97, 98), (96, 97, 98, 99), (93, 100, 101, 102), (100, 101, 102, 103), (100, 101, 104, 105), (101, 102, 107, 108), (102, 107, 108, 109), (107, 108, 109, 110), (112, 111, 108, 107), (108, 109, 118, 119), (113, 112, 111, 108), (109, 118, 119, 120), (118, 119, 120, 121), (118, 119, 122, 123), (119, 122, 123, 124)]\"\n\"[ 1.67648333e+00 1.45545875e+00 2.35779375e-01 1.77135154e+01\n 1.60523007e+01 -5.13677770e+01 1.45938404e+00 -7.88720028e-01\n 8.95185685e-01 2.23156989e+00 2.21921958e+00 -6.66710013e-01\n -7.81307360e-01 -2.27802612e-01 -1.68172463e+00 -1.51525479e+00\n 3.03559683e+00 -9.87985511e-01 -2.17339641e+00 -1.75963020e+00\n -1.15464670e+00 2.68795614e+00 1.58353660e+00 -9.69628658e-01\n 5.42594226e-01 1.33518667e+00 -4.08611465e-01 -9.07695191e-01\n 2.76963478e+00 -1.07781176e+00 -9.98158407e-01 -2.61879767e+00\n -1.22007132e+00 -5.32372042e-02 -2.40376983e+00 -7.83347921e-01\n -8.05694421e-01 -3.27034340e-01 -7.46907621e-01 1.65161998e+00\n 2.00807992e+00 3.60855443e-02 2.03143159e+00 2.72180666e+00\n 1.63834018e+00 -3.70737880e-01 1.01750892e+00 -5.06279322e-01\n 3.05530493e-01 -1.49444019e+00 -8.36373649e-01 -1.45768802e+00\n 1.25990573e-01 1.18532224e+00 -2.47230114e+00 4.31552383e-01\n -9.36723672e-01 -1.22994768e+00 -2.61762833e-01 -1.23185406e+00\n -3.30209940e-01 1.98752688e+00 -2.82380459e-01 2.36446309e+00\n -1.22910338e+00 2.22145864e+00 2.75266002e+00 -1.07116526e+00\n 1.47425720e+00 3.93331078e-01 6.07536350e-01 -1.03389626e+00\n 1.07674487e+00 1.47096339e+00 3.70252948e-01 -9.61586852e-01\n 2.49118131e+00 4.15643914e-01 -1.92831184e+00 -5.07312014e-01\n -2.45536777e+00 -8.27671489e-01 5.14644592e-01 -5.00960957e-01\n 2.31847595e+00]\",-82.42631010807587,86976,500,Maximum number of iterations has been exceeded.,False,1557,9.392942823410458,5j3v,68.21210791318478,6.980000019073486,125,79,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (8, 9, 11, 12), (9, 11, 12, 13), (11, 12, 13, 14), (12, 13, 15, 16), (13, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (16, 17, 24, 25), (16, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (17, 24, 25, 26), (24, 25, 26, 27), (30, 29, 26, 25), (29, 30, 31, 32), (30, 31, 36, 37), (31, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 47, 48), (37, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 44), (38, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 56, 57), (48, 51, 52, 53), (51, 52, 53, 54), (52, 53, 54, 55), (49, 56, 57, 58), (56, 57, 58, 59), (56, 57, 60, 61), (57, 58, 65, 66), (57, 60, 61, 62), (60, 61, 62, 63), (58, 65, 66, 67), (65, 66, 67, 68), (65, 66, 69, 70), (66, 67, 73, 74), (66, 69, 70, 71), (67, 73, 74, 75), (73, 74, 75, 76), (74, 75, 78, 79), (75, 78, 79, 80), (78, 79, 80, 81), (78, 79, 82, 83), (79, 80, 85, 86), (80, 85, 86, 87), (85, 86, 87, 88), (85, 86, 89, 90), (86, 87, 94, 95), (86, 89, 90, 91), (89, 90, 91, 92), (90, 91, 92, 93), (87, 94, 95, 96), (94, 95, 96, 97), (95, 96, 99, 100), (96, 99, 100, 101), (99, 100, 101, 102), (100, 101, 104, 105), (101, 104, 105, 106), (104, 105, 106, 107), (104, 105, 108, 109), (105, 106, 115, 116), (105, 108, 109, 110), (108, 109, 110, 111), (109, 110, 111, 112), (106, 115, 116, 117), (115, 116, 117, 118), (115, 116, 119, 120), (116, 119, 120, 121), (119, 120, 121, 122), (120, 121, 122, 123)]\"\n\"[ -0.87349682 -1.41626586 -2.51940449 10.63097144 -12.24029602\n 35.15639684 0.7313755 -2.18410314 -0.34900719 -2.46012643\n -1.37430802 -2.18003021 -1.28321366 -0.0488873 2.09125765\n 0.99857543 2.93087949 -2.15296294 -0.17041882 -2.7620546\n -2.8015741 -1.29232777 2.84578063 0.86608371 1.64459702]\",-70.86607664187754,75696,500,Maximum number of iterations has been exceeded.,False,954,5.143716537550317,2x6w,128.45324787941095,7.099999904632568,72,19,\"[(1, 0, 20, 15), (24, 29, 10, 11), (13, 14, 15, 20), (0, 20, 15, 14), (48, 55, 21, 22), (32, 28, 23, 22), (10, 29, 24, 23), (24, 25, 26, 31), (33, 32, 28, 23), (32, 33, 40, 38), (35, 36, 37, 44), (33, 40, 38, 39), (46, 47, 59, 52), (21, 55, 48, 47), (49, 50, 51, 57), (61, 57, 51, 50), (47, 59, 52, 53), (62, 61, 57, 51), (64, 65, 66, 71)]\"\n\"[-2.98290206 -0.48165771 -1.65653364 11.88419092 -7.13976637 5.69997942\n 1.98064366 -0.23405735 -0.04052924 -0.31256511 0.77843091 -2.20355682]\",[-237.75267335],22438,130,Optimization terminated successfully.,True,377,0.8258853133964696,4d1s,226.13079495919771,7.659999847412109,37,6,\"[(8, 7, 6, 0), (14, 13, 12, 9), (15, 14, 13, 12), (21, 20, 19, 15), (23, 24, 25, 26), (30, 29, 28, 21)]\"\n\"[ 2.57208999 -0.60251013 0.40549224 -16.00549304 36.6064535\n -1.26107392 1.05980249 1.69284419 -1.15794209 0.40229207]\",[-69.10958583],31329,205,Optimization terminated successfully.,True,358,1.559345729424662,3bgq,54.69340185069372,7.960000038146973,26,4,\"[(2, 9, 0, 14), (8, 19, 7, 11), (7, 19, 8, 20), (13, 18, 17, 4)]\"\n\"[ 0.51894459 1.95552951 1.14713838 19.25354934 -18.38889644\n 7.90171926 -1.29249284 2.6612638 3.12395502 -2.6844113\n -1.91194624]\",[-195.47869136],21432,131,Optimization terminated successfully.,True,502,1.067743642164488,3d0e,198.02791663511837,8.399999618530273,31,5,\"[(13, 1, 14, 15), (21, 22, 4, 24), (25, 24, 4, 22), (1, 13, 12, 8), (26, 25, 24, 4)]\"\n\"[ 0.48735467 -2.5341656 0.93050902 44.9632016 32.37600325\n 112.31433989 2.44974168 -1.71561867 -0.79443282 -2.117521\n -2.22320896]\",[-215.07498322],43628,277,Optimization terminated successfully.,True,394,1.019406270428318,2x39,180.7121381697313,8.65999984741211,27,5,\"[(19, 18, 0, 1), (2, 3, 7, 8), (3, 7, 9, 10), (11, 10, 9, 7), (12, 11, 10, 9)]\"\n\"[ 2.39124029 1.93543168 -0.48738696 30.99765202 39.08765842 8.53747379\n -2.50999517 -2.90700168 -1.85640605 0.64740146]\",[-111.7749153],12599,75,Optimization terminated successfully.,True,273,0.5715902545919269,3djp,85.73064206381653,4.199999809265137,21,4,\"[(11, 16, 0, 1), (11, 10, 9, 8), (10, 12, 13, 18), (12, 13, 18, 17)]\"\n\"[-0.55423115 -0.69279063 -1.56482551 -3.27739167 28.0426954 58.06946851\n 1.50511838 2.12655722]\",[-80.97746013],16663,103,Optimization terminated successfully.,True,495,3.470125747104303,5vdp,56.27848256846611,4.050000190734863,45,2,\"[(11, 10, 9, 5), (33, 32, 31, 20)]\"\n\"[ 1.0154975 0.76743115 1.59850171 15.55197002 16.17384717 36.71654735\n -1.12890892 -0.29087642 -0.42162805 -1.35394351 0.82615564 1.71915487\n -2.42619307 0.44936623 -0.25198486 -0.73168028 -1.57046891 2.7759575\n -1.24730457]\",[-112.93630615],77772,500,Maximum number of iterations has been exceeded.,False,562,3.9115322754435287,5fwg,81.17976185839855,6.71999979019165,35,13,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 9, 10), (6, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 30, 31), (15, 14, 13, 10), (16, 15, 14, 13), (11, 30, 31, 32), (30, 31, 32, 33)]\"\n\"[ 0.27895249 0.81232224 -2.08674073 -23.76377556 0.4667278\n -24.62446855 1.70140475 1.103745 -3.06890376 0.35231889\n -2.22707045 0.06734742 0.99846035]\",[-212.91981236],21924,132,Optimization terminated successfully.,True,375,1.0322612481613227,4wkc,183.59863835334963,12.680000305175781,23,7,\"[(5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (21, 16, 14, 13), (2, 21, 16, 14)]\"\n\"[ 0.16496167 -1.60002453 0.16396824 14.62131884 55.55177505 2.27052049\n 2.28849867 1.08203319 0.10548037 0.85076101 -1.37461007 1.14991361\n -1.62877329 1.72431523 -0.69005005 0.07664032 2.17689971 -0.88051302\n -0.53155344 -2.12733938 -0.49186443 0.17978761 -1.74652118 -2.66466803\n -2.04165267 -0.14113923 0.44357588 0.51026552]\",[-89.49654489],86430,500,Maximum number of iterations has been exceeded.,False,470,3.786236484765721,3e90,82.53000523318454,7.389999866485596,41,22,\"[(33, 0, 32, 31), (1, 10, 11, 12), (10, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 16), (13, 14, 20, 21), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (14, 20, 22, 23), (20, 22, 23, 24), (22, 23, 24, 25), (22, 23, 29, 30), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (23, 29, 31, 32), (29, 31, 32, 0), (0, 32, 34, 35), (32, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38)]\"\n\"[-1.07705714 1.28543021 2.95557508 70.65542127 47.75046248 8.35237808\n 1.62640622 2.9112855 -0.56145653]\",[-63.99316334],28810,179,Optimization terminated successfully.,True,190,1.3694151134195591,2ohm,46.595867698598745,3.509999990463257,15,3,\"[(1, 6, 7, 8), (9, 8, 7, 6), (10, 9, 8, 7)]\"\n\"[ 0.19912796 -1.99192482 -0.9283801 24.11533091 69.20196307 11.45038773\n 0.50239764 0.539254 0.16246839 -0.88951035 0.8040853 0.29239978\n -1.24112847 0.24598821 -2.23710187 -0.50133337 -2.52898152 -0.57078945\n -0.75256684 -0.17992138 -0.53443419 1.20204052 -1.66153762 -1.02876902\n 2.20946276]\",[-84.08575212],78738,500,Maximum number of iterations has been exceeded.,False,680,4.1336355259110675,4prg,104.67789032355986,7.150000095367432,44,19,\"[(0, 2, 4, 5), (2, 4, 5, 6), (4, 5, 29, 30), (0, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (1, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (20, 19, 18, 17), (21, 20, 19, 18), (23, 25, 26, 27), (31, 30, 29, 5), (38, 37, 29, 5), (32, 31, 30, 29), (39, 38, 37, 29)]\"\n\"[-0.93578192 -1.90753591 -0.23878671 21.28922206 45.40956599 45.91015704\n -0.73686369 -1.26732723 -0.11948297 0.56992764 -0.99004011 -2.67237807\n -0.41332307 2.21976294]\",[-102.13093427],32067,197,Optimization terminated successfully.,True,315,2.010414250232701,5d29,69.59772485289652,7.010000228881836,20,8,\"[(1, 2, 3, 4), (0, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (9, 10, 14, 15), (10, 14, 15, 16), (14, 15, 16, 17), (15, 16, 18, 19)]\"\n\"[-0.96127523 -0.75367435 -0.68967009 37.29674437 1.67107469 75.74615228\n 2.53931714 1.34026061 -3.03931525 -2.71723472 2.36763654 -3.10586451\n -1.16643954 1.52997149 -1.82158235 0.8510814 -0.45190432 -0.32547839]\",[-113.70395666],83689,500,Maximum number of iterations has been exceeded.,False,338,2.7290884350906226,5eng,111.9671352339154,5.849999904632568,34,12,\"[(24, 2, 1, 23), (22, 23, 1, 2), (3, 24, 2, 1), (8, 7, 6, 5), (9, 8, 7, 6), (10, 11, 12, 13), (8, 16, 17, 18), (16, 17, 18, 19), (0, 20, 18, 17), (21, 22, 23, 1), (22, 28, 29, 30), (28, 29, 31, 32)]\"\n\"[ 0.1337687 -0.03996454 -0.2455116 -4.48571883 0.80742233 15.76636843\n 1.51327273 2.22248481 2.05000316 2.72000846 1.684509 ]\",-82.58753511930823,77406,500,Maximum number of iterations has been exceeded.,False,179,1.545113160330197,5o07,80.40822312750367,7.46999979019165,16,5,\"[(1, 0, 3, 5), (0, 3, 5, 6), (13, 6, 5, 3), (9, 13, 6, 5), (10, 9, 8, 14)]\"\n\"[-0.43280541 1.69782488 1.25171622 23.3008584 4.65037121 2.13740973\n -0.73308419 0.61141018 -0.69675748 -2.16606793 3.03656617]\",[-78.2972715],34390,216,Optimization terminated successfully.,True,322,2.211317850484543,1tou,28.89773006557767,6.0,21,5,\"[(5, 4, 1, 0), (5, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (16, 15, 13, 12)]\"\n\"[ 0.4050031 -1.92193337 -0.0671305 -5.59905057 36.79151797 21.81383942\n 0.82700253 -1.31195805 -1.26088627 -0.66185842 -0.65189231 -2.02205451\n 3.07509745]\",-112.77788475289628,63006,401,Optimization terminated successfully.,True,383,2.4068430968395567,6b8j,94.7258639446637,8.300000190734863,32,7,\"[(3, 2, 1, 22), (12, 19, 3, 2), (5, 4, 26, 27), (10, 6, 29, 28), (4, 26, 27, 28), (26, 27, 28, 29), (6, 29, 28, 27)]\"\n\"[ -2.93273069 -0.1593374 -0.628632 8.13569302 -13.06141273\n 6.67772768 0.43481248 -0.93585378 0.23231628 -2.13597069\n -0.99101239 2.46211161 1.46027642]\",[-105.37449271],77268,483,Optimization terminated successfully.,True,367,3.592162806375286,4i12,116.32251652429865,6.389999866485596,36,7,\"[(5, 13, 14, 15), (16, 15, 14, 13), (30, 29, 14, 13), (17, 16, 15, 14), (25, 24, 17, 16), (16, 20, 21, 22), (20, 21, 22, 23)]\"\n\"[ 4.30939928e-03 -3.35190572e-01 2.38674432e+00 2.11987926e+01\n 4.03569296e+01 3.09181478e+01 -2.67899930e+00 -2.10736858e+00\n 1.32600640e+00 1.77313616e+00]\",[-79.83944755],22421,144,Optimization terminated successfully.,True,289,0.9711461796285842,2nn8,63.5442161307527,3.5899999141693115,23,4,\"[(15, 6, 0, 1), (3, 4, 5, 11), (14, 15, 6, 0), (15, 16, 17, 22)]\"\n\"[ -0.72402746 -1.02912653 -2.87564914 119.66157305 39.07749421\n 62.28747938 0.18287847]\",[-186.98503906],5686,30,Optimization terminated successfully.,True,265,0.32678456770394537,2ceq,178.15720103641567,7.28000020980835,14,1,\"[(2, 5, 6, 13)]\"\n\"[ 0.62787386 1.19649386 -1.09242446 18.63828546 -10.41716873\n 19.81266523 -3.07968582 0.59404106 3.08956606 -2.04315904\n -3.04758658 0.23826023 -1.76731168]\",[-70.83593696],46854,291,Optimization terminated successfully.,True,251,1.1575466697103238,3arx,67.8957344836627,5.329999923706055,22,7,\"[(1, 0, 9, 10), (2, 6, 19, 20), (0, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (6, 19, 20, 21)]\"\n\"[ 1.76955211e+00 -2.01290866e+00 -5.93625099e-01 1.48647235e+01\n -2.99165720e+01 -3.41082812e+00 -1.39072063e+00 2.79190942e+00\n 1.84707744e+00 -9.30625472e-01 2.17355330e+00 -2.03794053e+00\n 2.66721913e+00 -1.17645269e+00 -5.28308653e-01 2.36354144e-03\n 1.75293476e+00 2.60070624e-01 7.55293438e-01 -8.76203462e-01\n -2.01532975e+00 -1.21092582e-01 -2.69517438e+00 5.98593137e-01\n -9.40564291e-01 -1.78626252e+00 -3.57939009e-01 6.20674481e-01\n -7.74418547e-01 5.66762237e-01 -9.10426088e-01 2.10531333e+00\n 2.08300482e-01 -3.01768121e+00 1.41812543e+00 -2.17077419e+00\n 1.00417731e+00 2.60482116e+00 2.15510975e+00 -1.59357901e+00\n 2.77697507e+00 -1.93877145e-01 2.95346281e+00 2.38125757e+00\n 1.41484003e-01 1.10712763e+00]\",[-62.24918351],95427,500,Maximum number of iterations has been exceeded.,False,875,7.0033607871356685,3p4f,41.32277720025887,5.659999847412109,73,40,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 18, 19), (10, 13, 14, 15), (13, 14, 15, 16), (11, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 33, 34), (26, 29, 30, 31), (27, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 40, 41), (35, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 47, 48), (42, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 53, 54), (49, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 60, 61), (55, 60, 61, 62), (60, 61, 62, 63), (65, 64, 61, 60), (66, 65, 64, 61)]\"\n\"[ -0.0460452 -2.61623118 2.46262739 23.10620545 20.48379737\n -41.21426948 -0.4137822 2.90796931 -2.3406313 -0.57538244\n -1.30769423 -1.3925413 2.42196779]\",-145.06396097914416,12930,80,Optimization terminated successfully.,True,295,0.4526101820679922,4b7q,120.24317421009609,9.739999771118164,23,7,\"[(4, 3, 0, 1), (4, 5, 19, 20), (5, 6, 7, 8), (6, 7, 8, 9), (6, 11, 13, 14), (11, 13, 15, 16), (13, 15, 17, 18)]\"\n\"[-3.41237273e-03 8.79345220e-01 -2.24589084e+00 -1.20531670e+01\n -2.63102201e+01 5.78460098e+00 -8.08573843e-01 -1.41579345e+00\n -1.20310574e+00 -3.08064142e+00 4.56323726e-01 -3.13155960e+00\n 2.99333506e+00 1.06447725e+00]\",[-89.88108793],38381,238,Optimization terminated successfully.,True,449,2.8434144250451086,4ql1,43.77548416865227,7.03000020980835,36,8,\"[(5, 4, 1, 0), (4, 10, 11, 12), (14, 13, 11, 10), (15, 14, 13, 11), (18, 17, 16, 14), (28, 27, 26, 15), (28, 32, 33, 34), (32, 33, 34, 35)]\"\n\"[ -2.82595647 0.22447201 0.63662582 27.30820492 -10.79303711\n -37.99033295 0.13089298 0.74934755 -0.23355848 -3.13910718\n -0.60881075]\",[-72.96411493],52630,336,Optimization terminated successfully.,True,250,1.5344051183841105,5wag,50.837747972854004,5.210000038146973,16,5,\"[(8, 0, 6, 5), (9, 8, 0, 6), (1, 2, 5, 6), (2, 5, 6, 0), (10, 11, 13, 14)]\"\n\"[ -0.3146113 0.13384263 0.82897375 -64.66967849 -34.70937543\n -36.82243029 -1.44789677 2.81234639 -0.89387437 -2.90485431\n -0.51089113 1.66777251 0.83116826 -0.92021342 -2.02311806\n 2.0979681 -2.98926599 0.24994349]\",-39.39702471997962,81561,500,Maximum number of iterations has been exceeded.,False,379,3.4076998127625218,5lhh,37.1731005022649,8.170000076293945,37,12,\"[(3, 2, 1, 0), (2, 9, 10, 11), (13, 12, 10, 9), (14, 13, 12, 10), (16, 17, 34, 35), (13, 18, 19, 20), (21, 20, 19, 18), (22, 21, 20, 19), (23, 24, 27, 28), (29, 28, 27, 24), (30, 29, 28, 27), (17, 34, 35, 36)]\"\n\"[-6.77181225e-01 -1.52416545e+00 -2.04190041e+00 1.46436301e+01\n 3.00407870e+01 2.78886827e+01 1.85730766e-01 -1.16983379e+00\n -4.86409155e-01 -1.02576315e+00 2.28825193e+00 1.65373868e+00\n -9.91749561e-01 -1.55767327e+00 -3.18682736e-01 -8.64436023e-01\n 3.46872314e-01 2.26559407e+00 -1.09947331e+00 -1.47694875e+00\n -1.21078700e+00 -1.16525256e+00 1.05876241e-06 -2.59985030e+00\n 1.44221402e-01 -3.34946668e-01 7.27898243e-01 -1.75364600e+00\n 3.61237241e-01 -1.71334735e+00 2.36157298e-01 1.74699986e-01\n -1.83097977e+00 -3.41229450e-01 1.39547107e+00 -2.16628059e-01\n -8.34426575e-01 -7.60998155e-01 2.96537708e+00 -3.67631484e-01\n 2.18881227e+00 8.65585151e-01 1.43993652e+00 -2.27897956e-01\n 1.13885747e-01 1.10968051e-01 2.84898154e-01 -5.27498078e-01\n 1.10159612e+00 8.25632290e-01 -4.50588960e-01 1.35842369e+00\n 5.77306020e-01]\",[-90.70798436],85437,500,Maximum number of iterations has been exceeded.,False,1340,9.376880153121872,2bz8,93.77921314062345,5.599999904632568,94,47,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (8, 9, 12, 13), (9, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (24, 23, 14, 13), (13, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (23, 24, 25, 26), (31, 30, 25, 24), (30, 31, 32, 33), (31, 32, 37, 38), (32, 37, 38, 39), (37, 38, 39, 40), (37, 38, 41, 42), (47, 46, 39, 38), (38, 41, 42, 43), (41, 42, 43, 44), (42, 43, 44, 45), (46, 47, 48, 49), (47, 48, 53, 54), (48, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (65, 64, 55, 54), (54, 57, 58, 59), (57, 58, 59, 60), (58, 59, 60, 61), (64, 65, 66, 67), (65, 66, 71, 72), (66, 71, 72, 73), (71, 72, 73, 74), (71, 72, 75, 76), (72, 73, 82, 83), (72, 75, 76, 77), (75, 76, 77, 78), (76, 77, 78, 79), (73, 82, 83, 84), (82, 83, 84, 85), (82, 83, 86, 87), (83, 86, 87, 88), (86, 87, 88, 89), (87, 88, 89, 90)]\"\n\"[ -2.60672467 -2.68939954 0.55282507 8.60393702 -15.40412028\n -28.01054725 1.37446424 -0.94335675 0.0698329 -2.71524865\n -2.21370204 -0.34631723 0.76408036 -0.39173211 1.21027054\n 2.53305425 -0.42443129 -2.42820709 -2.07687717 -1.06888036\n -1.88095067 0.42318698 -0.22976445 -1.55378239 1.56344645\n 1.7747691 -1.23921543 -0.76084186 -1.02315335 -0.33525962\n 1.54475521 -0.51754388 0.82151116 -2.73398089 -2.48648703\n 1.01386044 2.01805172 -0.15506657 -2.84068762 -1.18992096]\",[-59.28668958],85449,500,Maximum number of iterations has been exceeded.,False,788,5.78867780234669,5vwk,70.64640511891822,5.480000019073486,67,34,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (8, 9, 12, 13), (9, 12, 13, 14), (12, 13, 14, 15), (17, 16, 13, 12), (13, 14, 26, 27), (18, 17, 16, 13), (14, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 34, 35), (27, 30, 31, 32), (28, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 43, 44), (35, 38, 39, 40), (38, 39, 40, 41), (36, 43, 44, 45), (43, 44, 45, 46), (43, 44, 47, 48), (44, 45, 50, 51), (45, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55), (51, 52, 58, 59), (51, 54, 55, 56), (52, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 62, 63, 64)]\"\n\"[-1.19165099 -0.15400376 1.2951186 -3.65296089 -2.76463562 21.22088509\n 1.52808156 -2.00223488]\",[-51.99709711],18977,120,Optimization terminated successfully.,True,272,2.4272726106805456,4mgb,39.310257586416554,5.440000057220459,21,2,\"[(8, 18, 20, 0), (10, 19, 20, 0)]\"\n\"[ 3.86126380e-01 -4.71115400e-01 -9.02780951e-01 9.17552153e+00\n 1.62652173e+02 3.75739998e+01 -1.47535739e+00 1.44857368e-01\n 4.86291440e-01 -7.98345014e-02 2.54117726e-01 -2.55083068e-01]\",[-67.32281414],38051,237,Optimization terminated successfully.,True,315,2.423514119929874,6chm,41.43627280118882,3.700000047683716,20,6,\"[(1, 0, 15, 16), (3, 9, 10, 4), (3, 9, 11, 12), (9, 11, 12, 13), (14, 13, 12, 11), (7, 14, 13, 12)]\"\n\"[-0.77258489 -0.29925249 -0.33302017 11.52186526 19.34735671 51.28783982\n -0.14562017 -0.59566848 1.43307958 -3.01454156]\",[-47.95858895],51677,332,Optimization terminated successfully.,True,348,3.6436521788739187,4gj8,46.256341683017574,3.299999952316284,23,4,\"[(0, 1, 5, 11), (1, 5, 11, 15), (18, 15, 11, 5), (19, 18, 15, 11)]\"\n\"[ 0.61083887 -2.20950425 0.27427228 -6.39426479 0.47201414 26.94620182\n -2.50707004 0.93841343 2.58581059 -2.19928399]\",[-112.74783515],18466,118,Optimization terminated successfully.,True,325,2.031819781048002,3a6t,64.64691745037821,7.28000020980835,24,4,\"[(0, 1, 4, 5), (6, 5, 4, 1), (7, 6, 5, 4), (13, 12, 11, 7)]\"\n\"[ 1.13687169 -0.12947 -1.4736784 39.4538565 37.33150636 54.29162915\n 2.31679909 2.67930756 -1.67289759 1.2599923 1.47180383]\",[-106.27095695],26530,162,Optimization terminated successfully.,True,488,1.6276365492870637,2e98,102.23574217056506,6.230000019073486,30,5,\"[(14, 13, 12, 7), (14, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (19, 20, 25, 26)]\"\n\"[ 1.80760205 0.16947033 0.09935661 14.52720713 9.26944531 19.2174802\n -2.48457395 0.15429866 1.46145572 1.87667157 -1.10472125 -0.47940878]\",[-130.95532956],78819,496,Optimization terminated successfully.,True,267,1.0906665586125999,3ggc,112.42027179527005,5.440000057220459,19,6,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (9, 8, 7, 6), (10, 9, 8, 7)]\"\n\"[ 0.59651329 1.11269998 1.21460997 13.46185236 -19.13890083\n 29.35259806 -0.76668735 -1.05267607 -0.37484975 1.77351912\n 2.86049143 -2.14987231 -2.3185401 2.49288736 -0.87984135\n 2.42254328 1.18744295 -1.50700754 -3.13474522]\",[-105.11606665],78972,500,Maximum number of iterations has been exceeded.,False,506,3.0831614961945206,3ekp,258.18051374767606,8.890000343322754,35,13,\"[(28, 2, 25, 4), (3, 28, 2, 25), (0, 3, 28, 2), (6, 4, 5, 13), (7, 6, 4, 5), (5, 4, 25, 2), (4, 5, 13, 26), (8, 7, 6, 4), (5, 13, 26, 14), (26, 14, 15, 22), (15, 14, 26, 13), (17, 16, 34, 26), (16, 34, 26, 13)]\"\n\"[-2.57642298 1.38837819 3.00492033 57.65817171 31.17846171 -5.05191063\n 0.77014845 -0.55214796 1.33071179 2.48508481 -2.16225842 -1.51208039\n 1.44420413 -1.96626425 3.11537515 -2.11600069]\",[-130.29677469],80993,500,Maximum number of iterations has been exceeded.,False,599,2.383599674602884,3bc5,139.49774956545156,8.300000190734863,37,10,\"[(15, 16, 0, 24), (16, 0, 24, 25), (2, 3, 25, 24), (8, 7, 5, 4), (9, 8, 7, 5), (8, 9, 12, 34), (9, 12, 34, 35), (11, 20, 18, 17), (3, 25, 24, 0), (13, 29, 27, 26)]\"\n\"[ 2.90307901 1.93489888 2.68044905 29.18061185 1.03871849 14.34026462\n -1.76958026 -1.52273012 1.70901978 -0.85883964 -0.61518757 -1.08914507\n -1.95739355 2.98789512 -2.19057929 0.84384483 -2.72050579]\",[-103.43057382],78111,500,Maximum number of iterations has been exceeded.,False,566,3.354852820812237,3qkm,130.31831972138463,7.420000076293945,41,11,\"[(19, 0, 1, 2), (18, 19, 0, 1), (0, 1, 2, 4), (1, 2, 4, 5), (2, 4, 5, 6), (7, 38, 4, 2), (4, 5, 6, 35), (5, 6, 35, 37), (8, 7, 38, 4), (26, 25, 23, 22), (6, 35, 37, 36)]\"\n\"[-0.69440155 -1.24837242 -1.2871578 18.89566701 4.23168752 16.35779803\n 1.49617 1.08816229 0.36129462 -1.88350419 -0.43151173 0.48453743\n -1.32667772]\",-158.48656553621385,66438,423,Optimization terminated successfully.,True,353,5.141883343636217,3nb5,125.86890709725832,7.739999771118164,24,7,\"[(8, 9, 10, 1), (5, 14, 15, 16), (14, 15, 16, 6), (6, 16, 17, 18), (16, 17, 18, 19), (20, 19, 18, 17), (7, 20, 19, 18)]\"\n\"[-1.68621086 -2.30108628 -2.65348317 17.05304439 11.29211739 0.06153556\n -1.12821268 0.205647 3.00701187 -1.47532832 2.31583357 -1.88831815\n -1.89271859]\",[-135.8715512],18440,112,Optimization terminated successfully.,True,339,0.983674045225374,4mq6,114.06865910380614,6.46999979019165,28,7,\"[(4, 3, 1, 0), (5, 4, 3, 1), (7, 8, 9, 10), (4, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (22, 21, 18, 17)]\"\n\"[ 3.11132009 0.03614668 -1.22322701 22.59017717 9.94563352 33.69465908\n 0.0401432 -1.11055664 0.49108639]\",[-65.62692706],36635,234,Optimization terminated successfully.,True,297,2.0930815483061846,3cgf,36.21593797798367,6.570000171661377,23,3,\"[(3, 2, 1, 0), (18, 17, 1, 0), (6, 5, 4, 3)]\"\n\"[-0.61551044 0.68313808 -1.30029756 -3.51679983 41.39068542 1.59835689\n -2.49542976 1.58373524 -1.8475404 1.98235809 0.96564337 0.16085777\n 3.08672008]\",[-257.56532471],79710,500,Maximum number of iterations has been exceeded.,False,369,1.401990788953323,5cf8,276.73454980876284,8.960000038146973,32,7,\"[(1, 0, 2, 4), (0, 1, 3, 23), (5, 23, 3, 1), (7, 5, 23, 3), (9, 6, 23, 3), (26, 19, 16, 15), (12, 26, 19, 16)]\"\n\"[ 6.57272264e-01 -7.12886509e-01 1.28506951e+00 5.08653721e-01\n -4.96120760e+00 -2.27210098e+01 -3.14228503e-01 -3.78135832e-03\n 1.83106956e+00 -1.28485859e+00 -2.41094876e+00 6.70060625e-01\n -2.14324238e+00 -2.72656118e-01]\",[-119.8574845],77415,494,Optimization terminated successfully.,True,475,4.7123634360296895,5b4l,122.9962622801073,9.119999885559082,37,8,\"[(14, 32, 13, 7), (19, 17, 14, 9), (16, 18, 36, 27), (34, 25, 24, 20), (16, 34, 25, 24), (33, 26, 27, 36), (15, 33, 26, 27), (18, 36, 27, 26)]\"\n\"[ 0.87465385 0.42434781 2.04029381 15.07684361 23.19298895 5.20986675\n -1.34579229 -1.12185687 -0.27761857 -2.82355453 0.85585381 0.3494018\n 0.67424575 -0.9383638 1.87476361 1.60030361 -0.86176299 0.52400935\n -0.97886567 -0.1226418 0.54698304 1.91609578 1.23536483]\",[-113.24994969],82413,500,Maximum number of iterations has been exceeded.,False,594,4.195702862456681,2cem,271.45573145787966,7.920000076293945,50,17,\"[(14, 0, 1, 2), (15, 14, 0, 1), (1, 0, 22, 23), (4, 3, 1, 0), (5, 4, 3, 1), (16, 15, 14, 0), (0, 22, 23, 24), (22, 23, 24, 26), (36, 25, 23, 22), (23, 24, 26, 27), (37, 36, 25, 23), (24, 26, 28, 29), (26, 28, 29, 30), (26, 28, 32, 33), (28, 32, 33, 34), (32, 33, 35, 42), (46, 47, 39, 38)]\"\n[ 2.79017349 -0.38607217 -0.42151724 6.07794141 3.11657239 25.4001919 ],-105.52077215594049,9297,60,Optimization terminated successfully.,True,184,7.673217165803053e-05,4q9s,86.90491239224032,3.809999942779541,15,0,[]\n\"[ -2.37605165 2.95232518 -1.49086416 -52.80167803 -18.75401064\n 28.7662439 2.50112249 0.35546541 -0.52790269 -0.66394861\n -1.8758452 1.91937103 -0.57144492 -1.0146154 ]\",-200.30161339237688,24339,155,Optimization terminated successfully.,True,438,3.231442334433846,3v5j,242.7476476266255,7.960000038146973,32,8,\"[(0, 5, 6, 7), (5, 6, 7, 8), (9, 8, 7, 6), (10, 9, 8, 7), (10, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (25, 24, 23, 20)]\"\n\"[ -2.87990115 0.52693987 -1.32715789 2.92904787 2.17725267\n -19.39490547 -0.80035575 -2.39405968 1.27693754]\",[-96.46575998],17799,112,Optimization terminated successfully.,True,317,1.1778661911939419,2x7u,77.3548369644724,5.269999980926514,26,3,\"[(3, 0, 8, 6), (0, 3, 11, 12), (0, 8, 6, 1)]\"\n\"[ 2.38014375 -2.78188535 0.9931414 14.70021415 11.69451137 41.06776779\n 3.08431233]\",[-72.04476434],9642,56,Optimization terminated successfully.,True,205,0.9658090774725179,3pcb,61.33865170121422,2.4000000953674316,10,1,\"[(12, 7, 4, 6)]\"\n\"[ -0.56628009 1.46412273 -1.67342707 -7.26336304 -37.64420572\n 12.49328909 0.17600466]\",[-256.21798791],9840,59,Optimization terminated successfully.,True,321,1.1302396509773869,4kzl,235.72465158451124,6.150000095367432,18,1,\"[(12, 11, 10, 0)]\"\n\"[-2.46577921e-01 2.01025046e+00 9.41388460e-01 -2.87151441e-02\n 3.28043321e+01 -1.68561153e+00 1.24696384e+00 2.56295369e-01\n 3.12493996e+00 2.07192284e+00 2.07628581e+00]\",-155.30985062198747,21042,134,Optimization terminated successfully.,True,344,1.0317007655228612,5zah,98.54237302696816,7.28000020980835,28,5,\"[(14, 15, 1, 17), (2, 3, 4, 5), (9, 8, 3, 2), (12, 11, 10, 9), (23, 22, 18, 10)]\"\n[ 0.80199687 -2.34109835 -0.12433598 53.21738004 47.23756931 26.96744675],[-58.31859299],7816,47,Optimization terminated successfully.,True,256,4.098883699477423e-05,1v41,36.112930699090114,4.699999809265137,11,0,[]\n\"[ 4.29167618e-01 -2.62632324e+00 -2.68461932e+00 7.44259097e+01\n 5.18842740e+01 3.39306031e+01 1.94236785e+00 2.34522224e+00\n -5.75852057e-01 -4.93263613e-01 2.03020673e-02 1.35496212e+00\n -2.92489819e+00 -1.14446471e+00 2.36623576e+00 -9.69171566e-03]\",[-90.75416275],30430,186,Optimization terminated successfully.,True,626,2.8669580581061958,5n99,57.37216455051637,4.210000038146973,48,10,\"[(0, 1, 4, 5), (1, 4, 5, 6), (8, 9, 12, 13), (9, 12, 13, 14), (12, 13, 14, 15), (29, 28, 25, 24), (30, 29, 28, 25), (38, 39, 42, 43), (39, 42, 43, 44), (42, 43, 44, 45)]\"\n\"[ 2.17739047 2.83135373 0.34567664 180.14187017 200.03098475\n 97.53837424 1.99003898 -1.77154827 -1.75414471 1.43745498\n 1.70152732 2.08807252 -2.02745232 0.23856552 -0.55352558]\",-114.507381229074,33486,220,Optimization terminated successfully.,True,411,1.739294117875804,3vyf,82.09289157703277,8.800000190734863,34,9,\"[(1, 0, 22, 23), (7, 6, 4, 3), (16, 15, 9, 8), (0, 22, 24, 25), (22, 24, 25, 26), (24, 25, 26, 31), (24, 25, 27, 28), (25, 26, 31, 32), (25, 27, 28, 29)]\"\n\"[ 2.89239738e-01 2.50333853e+00 2.40125921e-01 5.89283215e+01\n 4.67407747e+01 1.84050423e+01 -2.46044211e+00 -3.65791431e-01\n -2.02605316e+00 -1.66773823e+00 -4.03448103e-02 -8.10312672e-01\n -2.29311810e+00 5.52485024e-01 -1.72789706e-01 -2.73210284e-01]\",[-97.14855501],68124,415,Optimization terminated successfully.,True,473,2.4507269596938963,4zz3,62.58814309537571,6.0,31,10,\"[(1, 0, 6, 7), (2, 3, 19, 20), (8, 7, 6, 0), (9, 8, 7, 6), (3, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (21, 22, 28, 29), (22, 23, 24, 25), (23, 24, 25, 26)]\"\n\"[ -1.5635162 -2.69805065 -1.90855667 -12.72828458 21.89199845\n 6.5541592 1.11076905 -2.9330577 -0.22782039 -0.08060697\n -0.31642205 -0.9081726 2.61141687 0.13289507 0.03271878\n 0.54895916 -2.06778468 2.38223051 2.81390957 -2.44498947]\",[-77.59684301],81735,500,Maximum number of iterations has been exceeded.,False,393,2.6575004952935792,3v3q,28.222240845384512,6.599999904632568,27,14,\"[(1, 0, 6, 7), (0, 1, 21, 24), (1, 2, 22, 25), (2, 3, 23, 26), (0, 5, 12, 13), (0, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (5, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[ 0.36785974 0.70371748 -0.28831623 25.23969952 7.88794291 17.24581223\n -2.43006652 -2.50018477 0.63800869]\",[-127.40392588],42045,264,Optimization terminated successfully.,True,262,0.4128449640530024,4djx,117.44027377597952,7.230000019073486,24,3,\"[(10, 8, 1, 0), (20, 9, 1, 0), (16, 15, 13, 12)]\"\n\"[ 2.19360824 3.0833757 1.04545934 24.16947053 -11.40722516\n 36.23010765 2.81119876 -2.12806163 -2.14575801 2.57079443\n 1.89973124 -1.91121924 0.28325173 -2.69103571 -1.4919111\n 0.12012922]\",-95.28368285881461,64677,401,Optimization terminated successfully.,True,505,1.541354174250141,2gmv,78.86296350591043,6.199999809265137,40,10,\"[(4, 3, 1, 0), (10, 9, 1, 0), (11, 10, 9, 1), (17, 16, 15, 12), (18, 17, 16, 15), (22, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (33, 32, 31, 20), (34, 33, 32, 31)]\"\n\"[ 2.00950463 0.74904475 -2.27333229 28.95230844 15.82307283\n -12.22382356 -0.84598661 -0.80758993 1.32828477 0.44490816]\",[-150.77264477],15115,95,Optimization terminated successfully.,True,413,1.2143939491264195,5za9,110.74395708576353,6.739999771118164,29,4,\"[(4, 26, 3, 11), (1, 24, 4, 7), (16, 6, 17, 18), (5, 21, 6, 16)]\"\n\"[ -2.43805365 1.3268391 -1.56230766 -15.6961605 -5.61331337\n 2.65714739 -2.73161663 1.17232633 1.94380185 0.0414725 ]\",[-139.2322564],30785,198,Optimization terminated successfully.,True,228,1.0244624988070388,5ti4,126.91146821020327,4.590000152587891,24,4,\"[(7, 6, 5, 4), (15, 14, 5, 4), (0, 15, 14, 5), (18, 17, 16, 0)]\"\n\"[ -0.25434053 2.3311927 -1.64647465 -27.71971229 -6.69901727\n -8.11860871 -1.42661891 0.59123494 -1.67459484 -0.09341286]\",[-214.0162386],15044,88,Optimization terminated successfully.,True,283,1.202499816682185,4ymj,192.37246553125917,7.0,25,4,\"[(3, 4, 24, 5), (7, 6, 5, 24), (4, 24, 5, 6), (18, 17, 16, 2)]\"\n\"[-0.15043849 0.18231432 -2.68232801 59.38008238 6.80261283 15.08952392\n 1.52121505 0.62322096 2.77410394 1.53776706 -0.55121293 -0.61803293\n -0.97392857 1.85737293 2.22994489 1.06685611 1.05327873]\",[-104.45567977],78471,500,Maximum number of iterations has been exceeded.,False,547,2.91155612459499,2rjp,100.80343459994234,7.0,36,11,\"[(0, 1, 3, 4), (1, 3, 4, 5), (1, 3, 7, 8), (3, 7, 8, 9), (12, 11, 8, 7), (18, 17, 14, 13), (19, 20, 23, 24), (25, 24, 23, 20), (26, 25, 24, 23), (27, 28, 31, 32), (28, 31, 33, 34)]\"\n\"[-1.25022349 2.04869466 -1.85099736 39.15441342 -3.24311801 4.13692559\n -0.34861236 2.00929261 -3.01321375 1.76140842 0.66818826 -2.16199742\n -1.18011367 -0.98917462 -1.77957718]\",[-82.25985772],75806,500,Maximum number of iterations has been exceeded.,False,552,2.2924036442147973,3o5x,44.31528990472085,5.28000020980835,42,9,\"[(6, 9, 15, 5), (7, 10, 27, 28), (30, 13, 29, 11), (31, 30, 13, 29), (4, 25, 16, 14), (20, 19, 17, 1), (10, 27, 28, 29), (27, 28, 29, 11), (37, 36, 33, 32)]\"\n\"[-1.53265259e+00 -2.96518077e+00 2.22843362e-01 4.19951137e+01\n -2.72449657e+00 1.23294800e+00 3.13394325e+00 -1.81424271e-02]\",[-105.05197594],12951,80,Optimization terminated successfully.,True,278,2.03774080584729,3vc4,97.62589865815603,7.619999885559082,18,2,\"[(1, 3, 11, 15), (10, 12, 4, 0)]\"\n\"[ 0.53842891 1.9661486 2.54844126 -6.66490742 3.23825019 -8.01516061\n -0.87486351 -0.76666366 1.28831419 -1.75968327 1.09433583 -0.61947036\n 0.54151431 0.21359002 -0.68200166 1.69459598 -0.06059105 -0.6679149\n -1.4809034 -2.95645361 -0.05662497 0.19629536 -0.35518303 -1.93900601\n -0.51278047 -1.19846389 1.03926085 -0.83286634 -0.95918545 0.29408377\n -1.66098887 -0.36155381 0.13564425 0.4093902 -0.87340782 -1.68431033\n -2.64928133 -0.45159032]\",[-110.88310117],78336,500,Maximum number of iterations has been exceeded.,False,874,7.074554335114395,1q5l,52.177393486496356,3.2200000286102295,55,32,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 15, 16), (1, 4, 5, 6), (2, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (16, 17, 36, 37), (16, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (17, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 54, 55), (37, 40, 41, 42), (38, 54, 55, 56), (54, 55, 56, 57), (54, 55, 58, 59), (55, 56, 72, 73), (55, 58, 59, 60), (56, 72, 73, 74), (72, 73, 74, 75), (72, 73, 76, 77), (73, 74, 90, 91), (73, 76, 77, 78), (74, 90, 91, 92), (90, 91, 92, 93), (90, 91, 94, 95), (91, 92, 104, 105), (92, 104, 105, 106), (104, 105, 106, 107)]\"\n\"[ 1.22221179 0.77799202 -1.60099761 15.04226725 17.6747715 19.7836758\n 1.14254291 -0.49864553 0.20956279 2.51605269]\",[-221.73360648],21463,136,Optimization terminated successfully.,True,319,2.6665592988696893,1q66,209.77985926936245,5.769999980926514,22,4,\"[(3, 2, 0, 1), (3, 4, 14, 15), (16, 15, 14, 4), (17, 16, 15, 14)]\"\n\"[-0.51006931 1.81583456 -0.13931748 7.48710432 16.58016799 29.40141184\n 0.42095187 -0.8220983 -0.68255908 -2.49733657 0.38332167 -2.31977541\n 0.30647404]\",[-101.99289342],21840,132,Optimization terminated successfully.,True,359,2.108047217944319,2w8j,80.14018620121838,2.9600000381469727,22,7,\"[(13, 0, 1, 2), (0, 1, 2, 3), (0, 1, 4, 5), (10, 12, 13, 0), (12, 14, 16, 17), (14, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[ 0.12735734 2.73581817 0.99204807 -20.54653133 36.9584891\n 94.9526064 -2.64923548 -1.88864466 2.94691166 -1.33003799\n -1.65713598 -3.06767702 0.32435204]\",-150.14231489320179,78294,499,Optimization terminated successfully.,True,449,1.295760501589366,3zov,137.3450248847189,7.21999979019165,31,7,\"[(0, 1, 4, 5), (6, 5, 4, 1), (7, 6, 5, 4), (8, 11, 12, 13), (15, 14, 12, 11), (16, 15, 14, 12), (22, 21, 20, 16)]\"\n\"[ 1.75733879 -0.72841962 -2.05225279 15.04852216 37.32975235 17.18114894\n -1.34134832 1.39958242 -2.33901437 -1.23240635 0.61206508 2.7573016\n -1.26122245 2.64544445 0.18292008 1.94918425 -1.13078659]\",-129.63272951552628,77031,500,Maximum number of iterations has been exceeded.,False,413,1.7722649723389912,1p01,122.11043671620727,9.460000038146973,27,11,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 9), (7, 8, 9, 10), (13, 12, 9, 8), (12, 13, 14, 15), (13, 14, 19, 20), (14, 19, 20, 21), (19, 20, 21, 22), (19, 20, 24, 25)]\"\n\"[ 2.56153316 -1.1826778 -2.36654066 -17.60163951 -8.49274679\n 20.40540237 1.04545346 1.90895505 -2.06215305 -2.36696418\n 1.90721088 -0.50004633 1.69406742 0.79731885 -0.97086838]\",[-77.75575038],76590,500,Maximum number of iterations has been exceeded.,False,357,2.317226490849988,3gcs,112.6681433376011,7.25,32,9,\"[(0, 1, 25, 4), (1, 25, 4, 26), (5, 26, 4, 25), (6, 5, 26, 4), (28, 11, 8, 7), (12, 28, 11, 8), (15, 14, 30, 16), (14, 30, 16, 17), (0, 19, 20, 21)]\"\n\"[ -0.03507556 0.39645602 -1.84727955 22.74608472 0.75875306\n -19.43679368 -2.74391765 0.11972152 0.64750626 0.95857929]\",[-177.82344974],9587,58,Optimization terminated successfully.,True,419,1.119890049968934,3gcp,168.5482229771211,7.820000171661377,27,4,\"[(4, 5, 2, 0), (15, 16, 8, 3), (15, 19, 12, 11), (20, 25, 18, 17)]\"\n\"[ -1.79078959 0.47644819 -2.75416495 35.71074277 4.77023066\n -62.79498963 -1.4982862 -0.49206863 -2.96959157 1.54466842\n -1.99553301 2.9722068 -0.86707631 -2.24682135]\",[-97.19485265],62446,393,Optimization terminated successfully.,True,489,1.6198925988608295,5hex,98.02099773145646,8.0,33,8,\"[(1, 5, 10, 19), (4, 6, 11, 21), (4, 9, 31, 20), (12, 19, 10, 5), (13, 12, 19, 10), (14, 15, 18, 20), (15, 18, 20, 31), (9, 31, 20, 18)]\"\n\"[ 1.03158805 -1.40321152 2.89876946 88.63325616 120.58024898\n 13.48257393 2.04581727 -0.36726611 -1.34016614 1.3498198\n -2.65788852 2.60621919]\",[-106.79948286],18239,107,Optimization terminated successfully.,True,277,1.3133168127618313,4zx3,80.93090605748287,7.190000057220459,19,6,\"[(8, 0, 1, 2), (1, 0, 8, 9), (14, 13, 0, 1), (0, 1, 2, 3), (1, 2, 4, 5), (0, 8, 10, 11)]\"\n\"[ 2.62485341e+00 2.42109400e+00 -2.06494645e+00 4.51216501e+01\n -4.33654955e+01 -1.03115345e+01 -1.90169032e+00 -1.06207909e+00\n -1.62538690e-01 -6.50634277e-02 2.22385921e-01 9.15885272e-02\n 1.53438700e+00 2.05167945e+00 2.21473728e+00 5.89216561e-01\n -1.34606721e+00 -4.31322317e-01 1.14098097e+00 6.80824875e-01\n -2.07954663e+00 -1.34091197e+00 -2.30456040e+00 4.38023216e-02\n 5.55185261e-01 -8.77526242e-01 -6.81784083e-01 1.69641849e+00\n -6.54214274e-02 4.30781073e-01 -6.36828426e-01]\",[-93.75905655],80951,500,Maximum number of iterations has been exceeded.,False,696,4.855240096643604,6eqw,148.04880219413891,10.649999618530273,52,25,\"[(2, 3, 10, 0), (9, 6, 7, 8), (1, 9, 6, 7), (6, 7, 11, 12), (7, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 22, 23), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (13, 22, 23, 24), (22, 23, 24, 25), (22, 23, 28, 29), (23, 28, 30, 31), (28, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 41, 42), (31, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (43, 42, 41, 32), (44, 43, 42, 41), (45, 46, 47, 48)]\"\n\"[ -0.84093988 -2.21525587 -0.52103361 -13.88730302 12.34140204\n 50.24156522 0.99206312 1.9533523 0.29349679 2.42217559\n -0.23782204 -2.29572371 1.13756336 -0.21156334 0.37334488\n 1.79577358]\",[-76.11669318],81027,500,Maximum number of iterations has been exceeded.,False,463,3.278892555372352,3rjw,59.17145887382269,7.570000171661377,37,10,\"[(18, 34, 1, 0), (33, 27, 5, 0), (24, 16, 17, 29), (35, 24, 16, 17), (31, 29, 17, 16), (22, 35, 24, 16), (20, 33, 27, 5), (10, 30, 28, 6), (9, 31, 29, 17), (25, 36, 32, 7)]\"\n\"[ 3.97539802e-02 -1.00041636e+00 1.04650580e+00 8.94319891e+01\n 2.99454556e+01 2.74115746e+02 -1.30955473e-01 -4.21814563e-01\n -5.48165149e-01 2.21411198e-01 1.14109340e+00 -1.08807080e+00\n 1.35215845e+00 -1.52680351e+00 1.79615378e+00 -8.46914350e-01\n 2.03231896e+00 -2.40225918e+00 -2.96156353e-01 9.00039615e-01\n 5.05019836e-01 1.60476664e+00 4.19500902e-01 -7.43851527e-01\n -1.27123623e+00 -2.73778958e-01 -1.19379626e-01 3.09690483e+00\n -1.58075005e+00 -2.30057863e+00 -1.63517634e+00 -5.31235823e-01\n -3.97599480e-01 -8.09414918e-01 4.33674840e-01 1.56323880e+00\n 1.79751956e+00 -5.91206060e-01 4.99822659e-01 2.06664377e+00\n -2.73702830e+00 1.28478745e+00 7.89818779e-01 5.82379147e-02]\",[-107.34056875],93036,500,Maximum number of iterations has been exceeded.,False,879,7.179794287480337,5bs0,178.9810341901478,7.119999885559082,72,38,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 15, 16), (11, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (24, 23, 17, 16), (16, 19, 20, 21), (23, 24, 25, 26), (24, 25, 30, 31), (25, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 38, 39), (31, 34, 35, 37), (32, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (39, 40, 45, 46), (40, 45, 46, 47), (45, 46, 47, 48), (46, 47, 50, 51), (47, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55), (51, 52, 59, 60), (51, 54, 55, 56), (54, 55, 56, 57), (52, 59, 60, 61), (59, 60, 61, 62), (64, 63, 60, 59), (65, 64, 63, 60)]\"\n\"[ -0.59095306 -0.85926005 1.68405812 8.98227593 -6.63752948\n -13.9586768 -2.47639307 2.05874251 2.84623883 -0.69476078\n -2.59799176 -0.29719601 2.99714928 2.55234057 1.03850597\n 2.1019944 -2.23853392 -0.65342622 -1.05933454 -0.24699672]\",[-137.52299577],58871,355,Optimization terminated successfully.,True,381,2.953493682939746,4je7,122.88583758162402,6.400000095367432,27,14,\"[(5, 0, 1, 2), (1, 0, 5, 6), (0, 1, 3, 4), (0, 5, 6, 7), (0, 5, 8, 9), (5, 6, 13, 14), (5, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (6, 13, 14, 15), (13, 14, 15, 16), (13, 14, 18, 19), (21, 20, 18, 14), (20, 21, 25, 26)]\"\n\"[ 7.87580677e-01 -1.33547452e+00 3.13206808e+00 -2.28975461e+01\n 5.98117510e+01 5.45756807e+00 -1.12831487e+00 5.24198141e-01\n -4.53620376e-01 -2.47602198e+00 1.54968579e+00 -1.42575447e+00\n 1.18751298e+00 -8.32800134e-02 -1.37247509e+00 1.90319316e+00\n -1.46293059e+00 2.41398619e+00 1.91106007e+00 1.15982821e+00\n -1.90878365e-01 -1.53677467e+00 1.16929725e+00 -4.53653034e-02\n -1.03636825e+00 2.47644284e+00 3.09857515e+00 -1.54671162e-01\n 6.77002216e-01 2.93823556e+00 -1.61286282e+00 -2.70931191e+00\n -8.90860182e-01 -4.32233620e-01 -2.43112626e-01 1.60447677e+00\n 1.52075299e+00 2.46814181e+00 4.51264479e-01 -7.29529261e-01\n -1.29713264e+00 1.62454192e-01 2.30676554e+00 2.38008281e+00\n 2.55303926e+00 -2.30496094e+00 -1.08897029e+00 -2.65208404e+00\n -7.91967197e-01 1.25954411e+00 -3.27443306e-01 -9.02524975e-01\n -1.44649805e-01]\",[-69.85208023],84789,500,Maximum number of iterations has been exceeded.,False,979,8.030167612844162,1y98,71.94254300499821,5.429999828338623,90,47,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 9, 14, 15), (9, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (15, 16, 25, 26), (15, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (16, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 32, 33), (27, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 38, 39), (34, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (39, 40, 41, 44), (40, 41, 44, 45), (49, 48, 42, 39), (48, 49, 50, 51), (49, 50, 55, 56), (50, 55, 56, 57), (55, 56, 57, 58), (55, 56, 59, 60), (56, 57, 62, 63), (57, 62, 63, 64), (62, 63, 64, 65), (67, 66, 63, 62), (63, 64, 73, 74), (68, 67, 66, 63), (64, 73, 74, 75), (73, 74, 75, 76), (74, 75, 77, 78), (75, 77, 78, 79), (77, 78, 79, 80), (78, 79, 82, 83), (79, 82, 83, 84), (82, 83, 84, 85), (82, 83, 86, 87)]\"\n\"[ 1.05388601 -1.81341998 -2.04107389 27.98794817 4.46728561 15.52133946\n -1.53760907 -2.6623165 2.29904303 1.80105509 2.55634592]\",-72.02921160486844,52766,340,Optimization terminated successfully.,True,195,1.627946156312104,1fsw,42.115346816139855,6.489999771118164,13,5,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (8, 7, 5, 4), (9, 8, 7, 5)]\"\n\"[ 0.40984645 2.86165417 0.428144 18.71974555 18.51945022 5.29620094\n 2.09945367 1.79083696 -0.80640587]\",[-66.02813255],14118,85,Optimization terminated successfully.,True,365,1.5696856903376024,2wos,50.54322817088635,3.9000000953674316,21,3,\"[(3, 4, 5, 6), (15, 14, 13, 0), (16, 15, 14, 13)]\"\n\"[-0.87287489 -1.94947685 -0.35227246 11.51570866 24.75929668 4.67165811\n -2.30339744 -2.13497912 1.43412862 -0.27740132 -0.65964823 2.61786262\n 2.8505231 -0.90287001 1.91467291 -0.09275497 -1.53539139 -1.82083991\n 1.00386287 -0.23398041 -2.82191058 -1.93751639]\",[-100.86267917],78419,500,Maximum number of iterations has been exceeded.,False,615,4.719371249727302,1d4h,265.33287573351146,10.0,45,16,\"[(1, 0, 2, 3), (1, 0, 24, 25), (0, 2, 3, 4), (0, 2, 11, 12), (5, 4, 3, 2), (6, 5, 4, 3), (14, 13, 11, 2), (15, 14, 13, 11), (0, 24, 26, 27), (24, 26, 27, 28), (24, 26, 35, 36), (29, 28, 27, 26), (30, 29, 28, 27), (26, 35, 37, 38), (39, 38, 37, 35), (40, 39, 38, 37)]\"\n\"[ 0.89574597 0.8687044 2.17519198 -4.84936734 10.65895678 3.23084397\n 0.2546573 ]\",[-32.88276118],11042,68,Optimization terminated successfully.,True,199,0.5873208237482554,5yj8,18.122817582887688,3.9800000190734863,14,1,\"[(4, 3, 12, 13)]\"\n\"[ -0.82934229 1.711128 -0.79926896 -1.26224522 29.2914038\n -14.63018576 1.27400785 1.78208729 1.35422891 -0.10911008\n -1.61102366 -0.20732953 -0.07863217 2.78721765 1.88003047\n -0.26808731 2.4600443 2.20277543 0.66724707 1.05830201\n -0.95712658 -2.92178364 0.08538207 0.82166301 2.59478273\n -1.03014448 2.80218152 2.83796448 1.32140474 -1.61626591\n -2.81646089 -1.29628437 -0.95424925 1.555158 -1.41976434\n 2.67555144 0.98102195 1.44802302 -0.90199141 1.72893924\n -1.20893337 0.61626817 2.47147631 -2.36239251 -2.27221617\n -0.62615816]\",[-74.13338821],94064,500,Maximum number of iterations has been exceeded.,False,869,8.333078564846376,1x8s,109.81707980388992,5.099999904632568,72,40,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 10, 11), (6, 5, 4, 1), (2, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 21, 22), (11, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (12, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 30, 31), (22, 25, 26, 27), (25, 26, 27, 28), (23, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 38, 39), (31, 34, 35, 36), (34, 35, 36, 37), (32, 38, 39, 40), (38, 39, 40, 41), (39, 40, 43, 44), (40, 43, 44, 45), (43, 44, 45, 46), (43, 44, 47, 48), (44, 45, 50, 51), (45, 50, 51, 52), (50, 51, 52, 53), (50, 51, 54, 55), (51, 52, 58, 59), (51, 54, 55, 56), (52, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (65, 64, 60, 59), (64, 65, 66, 67)]\"\n\"[ -2.89337297 0.70643467 2.45836642 22.4289071 -20.26778171\n 27.51636149 -0.05222192 2.26142632 0.2619122 1.58804493]\",[-100.13428327],22070,141,Optimization terminated successfully.,True,299,1.42360136187779,3rf5,83.16046640464032,5.630000114440918,16,4,\"[(14, 10, 9, 13), (6, 13, 9, 10), (7, 14, 10, 9), (8, 15, 12, 0)]\"\n\"[-2.70499583 1.60113036 2.10921196 21.98245826 43.38050956 5.93297784\n -0.06711333 1.98960412 -3.02573191 -1.44322961 -2.00077433]\",[-61.46518243],19434,122,Optimization terminated successfully.,True,359,1.629035336313919,2rox,36.19538385708716,4.980000019073486,24,5,\"[(1, 0, 6, 7), (9, 16, 3, 2), (0, 6, 7, 8), (6, 7, 8, 18), (3, 16, 9, 10)]\"\n\"[ 2.36601493 -2.29798066 -1.71806031 12.35192426 4.42851902 39.49258036\n 2.75530517 2.42083463 1.15611659 -1.47535971 1.30360753 2.26456199]\",[-34.91383433],30589,191,Optimization terminated successfully.,True,329,1.6776410382554339,4np9,19.95777692194688,5.03000020980835,24,6,\"[(1, 0, 6, 12), (2, 3, 9, 16), (3, 4, 10, 20), (0, 6, 12, 13), (3, 9, 16, 17), (4, 10, 20, 21)]\"\n\"[ -2.55632593 2.5142858 1.21086368 -23.73942382 -11.66178817\n -26.67478812 2.16106975 -0.40733369 2.38115823 -2.62031959\n -2.76668248 0.71256926]\",[-193.9433915],16068,96,Optimization terminated successfully.,True,401,1.1223290373433332,3at4,210.02337413956604,8.100000381469727,28,6,\"[(8, 6, 2, 1), (12, 7, 4, 3), (12, 13, 24, 25), (17, 18, 20, 21), (18, 20, 21, 22), (13, 24, 25, 26)]\"\n\"[ 1.69300024 -3.00609999 2.46301031 10.6483658 -5.15953693 -9.8427527\n 2.44695696]\",[-58.90445953],12180,73,Optimization terminated successfully.,True,196,1.1732043513211774,4n9a,45.07326672982356,4.190000057220459,17,1,\"[(0, 8, 5, 6)]\"\n\"[ -0.23502369 2.10854179 1.88919537 -16.6815729 12.13523464\n -34.17680424 -0.48283591 0.67343422 -1.5066575 -1.86552834\n -0.11149076 3.05493 -1.39313908 2.03772616 -0.12340314\n 2.2031245 ]\",[-103.72320279],43671,261,Optimization terminated successfully.,True,543,1.658358508729954,3qxv,78.07689383109916,8.399999618530273,33,10,\"[(7, 8, 12, 13), (8, 12, 13, 14), (17, 18, 13, 12), (16, 15, 21, 22), (15, 21, 23, 24), (21, 23, 24, 25), (23, 24, 25, 26), (23, 24, 28, 29), (24, 28, 29, 30), (28, 29, 30, 31)]\"\n\"[ -1.28526229 -0.08867928 3.12910999 23.79608286 11.23338626\n -11.82949106 3.06074204 2.95345052 -0.38148491 2.67336881]\",[-151.09228189],15510,98,Optimization terminated successfully.,True,268,0.2757125360453177,5ueu,128.0047233833626,7.78000020980835,28,4,\"[(8, 7, 6, 3), (20, 22, 23, 24), (22, 23, 24, 25), (23, 24, 26, 27)]\"\n\"[ 1.98939177 -2.88582399 -2.09650094 2.8178482 -0.53832866 -1.75788413\n 0.79880603 1.36066634 -2.85206735 1.28878728 -2.89312059 -1.65867486\n 1.75527806 -2.85293005 0.53356656 0.84256063 1.53521348 -0.82852801\n -2.11028178 -2.6693586 -2.30869764 2.34944867 2.47095309 -0.49687908\n -0.37309777 1.61680553 1.21763684 1.19241989 -2.22827989 -0.89482855\n 0.53970295 2.45239169 2.89814465 -2.13254156 1.08411719 -2.87090953\n 2.68647289 -1.98502594 -0.57509386 0.12985277 2.24934769 -1.85996414\n -0.11853385 1.00656771 2.53173192 0.20830285 0.56886983 -1.99587138]\",[-92.58240072],98103,500,Maximum number of iterations has been exceeded.,False,1443,8.359284384107271,2w10,73.5834542350084,6.769999980926514,90,42,\"[(0, 1, 2, 3), (8, 7, 2, 1), (7, 8, 9, 10), (15, 14, 9, 8), (14, 15, 16, 17), (15, 16, 21, 22), (16, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (33, 32, 23, 22), (22, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (32, 33, 34, 35), (33, 34, 39, 40), (34, 39, 40, 41), (39, 40, 41, 42), (39, 40, 43, 44), (40, 41, 46, 47), (41, 46, 47, 48), (46, 47, 48, 49), (52, 51, 48, 47), (51, 52, 53, 54), (52, 53, 58, 59), (53, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (68, 67, 60, 59), (59, 62, 63, 64), (62, 63, 64, 65), (63, 64, 65, 66), (67, 68, 69, 70), (68, 69, 74, 75), (69, 74, 75, 76), (74, 75, 76, 77), (74, 75, 78, 79), (75, 76, 82, 83), (75, 78, 79, 80), (76, 82, 83, 84), (82, 83, 84, 85), (82, 83, 86, 87), (83, 86, 87, 88)]\"\n\"[-9.51183532e-01 -2.54425863e+00 2.46509691e-01 -9.56196242e+00\n 1.51661465e+02 1.09571921e+02 -6.63224747e-01 8.44227244e-01\n 6.55354234e-01 6.72196021e-01 -1.66167911e+00 -2.64613846e+00\n -1.16981341e+00 7.63449056e-01 1.41444142e+00 5.01868185e-01\n 3.01627051e-01 1.42255193e+00 4.37568060e-01 -1.69237167e+00\n -2.25561315e+00 -2.88922317e-01 -8.42722252e-01 -9.33763105e-01\n -2.10062447e-01 2.16496010e+00 1.62446049e+00 -9.50901630e-01\n 2.28668058e+00 2.54982342e+00 -2.80959409e+00 -5.17134104e-02\n 1.26666518e+00 2.38104663e+00 1.37087479e+00 7.61229346e-01\n 1.87356910e+00 -6.28405228e-01]\",[-60.78477674],84108,500,Maximum number of iterations has been exceeded.,False,597,6.617757577976711,6ar2,76.97669933729331,6.409999847412109,52,32,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (9, 10, 12, 13), (10, 12, 13, 14), (12, 13, 14, 15), (12, 13, 21, 22), (13, 14, 16, 17), (14, 16, 17, 18), (13, 21, 23, 24), (21, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 31, 32), (24, 27, 28, 29), (27, 28, 29, 30), (25, 31, 32, 33), (31, 32, 33, 34), (31, 32, 35, 36), (32, 33, 40, 41), (32, 35, 36, 37), (35, 36, 37, 38), (36, 37, 38, 39), (33, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 44, 45, 46), (44, 45, 46, 47), (45, 46, 47, 48)]\"\n\"[ 1.78086607 -0.80660612 -0.94422594 25.82124199 39.82801303 4.29292961\n 1.71139829 -0.63186864 0.91688461 0.25305676 -0.35343056 0.55004018\n 1.90646708 -1.3884375 -0.2500728 -2.61303048 -0.58921523 1.38133031\n 2.06673907 1.82151773 -1.21382304 -0.05988824 -0.05455478 -0.70306711]\",[-116.02473396],85518,500,Maximum number of iterations has been exceeded.,False,637,3.6105827513888324,2qzl,242.23283535182807,8.100000381469727,46,18,\"[(0, 1, 4, 5), (7, 6, 4, 1), (7, 8, 9, 10), (8, 9, 11, 12), (9, 11, 12, 13), (15, 14, 12, 11), (21, 22, 24, 25), (22, 24, 26, 27), (24, 26, 27, 28), (29, 28, 27, 26), (26, 27, 35, 36), (30, 29, 28, 27), (27, 35, 36, 37), (35, 36, 37, 38), (36, 37, 39, 40), (37, 39, 41, 42), (39, 41, 42, 43), (41, 42, 43, 44)]\"\n\"[ 3.12624524 0.05390226 -2.31456343 6.82938818 44.85156832 50.42989708\n -0.35069022 0.42146232 2.8256665 -0.99483433 -0.1479101 3.03731962\n -1.82113779]\",[-253.31526715],20754,121,Optimization terminated successfully.,True,345,0.9792526955000942,1ogu,218.58463617648334,7.46999979019165,27,7,\"[(22, 21, 0, 13), (3, 2, 1, 15), (14, 15, 1, 2), (8, 9, 24, 12), (13, 14, 15, 1), (14, 16, 17, 25), (11, 22, 21, 0)]\"\n\"[ -2.35363485 -0.51220896 1.83499474 39.53230293 -11.57419482\n 10.99087636 -1.68383243 -2.75741086 0.45644335]\",[-54.32134394],23803,150,Optimization terminated successfully.,True,166,0.9182376553297142,5afn,23.50684560630173,4.46999979019165,14,3,\"[(2, 3, 4, 5), (6, 5, 4, 3), (7, 6, 5, 4)]\"\n\"[-1.85380973 -2.16442244 2.95695706 41.81471214 22.33064418 37.69717402\n -0.74180885 -1.82883861 1.55314422 0.82982264 -2.17241719 -0.72510081\n -1.48976653 -0.68263552 -0.79836654 1.25109155 0.64370337 1.47526653]\",[-127.95919961],81903,500,Maximum number of iterations has been exceeded.,False,579,4.21334967345379,1eld,71.77016451733083,6.699999809265137,33,12,\"[(2, 0, 1, 5), (2, 0, 6, 7), (0, 6, 7, 8), (10, 7, 8, 9), (11, 10, 7, 8), (7, 8, 17, 18), (13, 11, 10, 7), (8, 17, 18, 19), (21, 18, 19, 20), (23, 22, 19, 18), (28, 23, 22, 19), (25, 26, 29, 32)]\"\n\"[ 2.72607619 -1.95728304 2.11272732 34.87998861 25.73148311\n -43.34141763]\",[-45.57971284],8932,55,Optimization terminated successfully.,True,154,1.3960540299627724,2ri9,24.11660342507428,3.2200000286102295,9,0,[]\n\"[-2.70293735 2.45318818 1.50838425 -5.99784774 17.26488795 38.44947315\n -1.59111038 -1.55498669 -0.75007746 -1.97722181 -1.83123109 0.06183278\n 1.47034151 -2.50173836 -0.47663909 -1.32053518 -1.44827353 -0.69526484\n 1.77630947 -2.04722546]\",[-107.52535974],81903,500,Maximum number of iterations has been exceeded.,False,665,4.769436603703714,1bv9,283.0796750712224,9.960000038146973,54,14,\"[(26, 6, 3, 5), (40, 11, 4, 5), (31, 26, 6, 3), (13, 12, 7, 8), (20, 19, 10, 4), (45, 40, 11, 4), (18, 13, 12, 7), (25, 20, 19, 10), (27, 28, 32, 34), (36, 34, 32, 28), (35, 36, 34, 32), (41, 42, 46, 48), (50, 48, 46, 42), (49, 50, 48, 46)]\"\n\"[ -2.52061387 2.8093658 -2.04748521 -20.57982876 -12.30066978\n -23.27039828 -2.6417132 2.57283869 2.25606742 -0.31792022\n 2.10619489 -2.67856752]\",[-62.75573342],27417,166,Optimization terminated successfully.,True,335,2.261879702752514,5ggn,31.851813455039036,3.6600000858306885,24,6,\"[(4, 3, 1, 0), (5, 4, 3, 1), (7, 9, 10, 11), (15, 14, 13, 4), (16, 15, 14, 13), (17, 18, 19, 20)]\"\n\"[ 2.27193816 0.43766105 1.36648187 2.41703384 3.57377328 25.1962724\n -0.14876058 -2.69283859 0.81586267 0.91891971 -2.38764716 -1.32685569\n -0.40472899 0.20028558]\",[-95.3216337],48366,308,Optimization terminated successfully.,True,418,2.868279698341714,1kf0,67.17760742163038,2.549999952316284,31,8,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 11, 8), (9, 8, 11, 4), (9, 8, 12, 13), (14, 13, 12, 8), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n[-0.14155462 -1.06793296 -0.93778239 51.69063655 39.14748952 26.70380363],[-38.75118263],15226,95,Optimization terminated successfully.,True,188,1.5161855567282765,1ogd,26.708785862358823,3.0299999713897705,10,0,[]\n\"[ 3.09134307e-01 -2.26868138e+00 -2.68231574e-02 -1.29522911e+02\n 3.03266720e+01 1.25986249e+02 9.96853845e-01 -9.51806680e-01\n -1.33976489e+00 -1.92136921e+00 1.44512112e+00 -2.62212436e+00\n -3.78831562e-01]\",[-78.05645685],23710,143,Optimization terminated successfully.,True,380,2.429793030568269,2pqc,68.61526966426031,5.739999771118164,25,7,\"[(1, 0, 6, 10), (1, 2, 7, 12), (3, 4, 9, 16), (2, 7, 12, 13), (4, 9, 16, 17), (9, 16, 18, 19), (9, 16, 21, 22)]\"\n\"[ 3.12148643e+00 8.84518751e-01 1.44455658e+00 4.26282612e+01\n -4.93088208e+00 1.39076878e+01 -1.40474731e+00 -7.65489648e-01\n -4.87278216e-01 9.86080918e-01 7.81943853e-01 1.15395874e+00\n 8.47521306e-01 -1.18484167e+00 -6.36723580e-01 2.96838703e+00\n -1.55252849e+00 -2.56992532e+00 1.34007095e+00 3.04639951e-01\n 3.02926575e+00 1.64545669e+00 -2.51741801e+00 1.81864036e+00\n -1.87100745e+00 7.34780615e-01 2.23894210e+00 -6.37042185e-01\n -1.23244117e+00 -1.47304493e+00 -2.22580667e+00 7.32207575e-03\n 1.88528292e+00 2.61112647e+00 2.27158931e+00 9.34445359e-01\n 1.56075834e+00 1.29469986e+00 -2.37566159e+00 2.08594718e+00\n -1.58869907e+00 -2.46966786e+00 -5.11925798e-01 1.15869125e-01]\",[-90.76968154],89886,500,Maximum number of iterations has been exceeded.,False,958,6.090577873422836,4jmg,115.33008354243162,8.819999694824219,68,38,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (12, 11, 8, 7), (8, 9, 23, 24), (13, 12, 11, 8), (15, 17, 18, 19), (17, 18, 19, 20), (9, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 32, 33), (24, 27, 28, 29), (27, 28, 29, 30), (25, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 40, 41), (33, 36, 37, 38), (34, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 47, 48), (42, 47, 48, 49), (47, 48, 49, 50), (48, 49, 51, 52), (49, 51, 52, 53), (51, 52, 53, 54), (51, 52, 55, 56), (52, 53, 59, 60), (52, 55, 56, 57), (53, 59, 60, 61), (59, 60, 61, 62), (59, 60, 63, 64), (60, 63, 64, 65), (63, 64, 65, 66)]\"\n\"[-0.6156528 1.0343853 -1.03064326 -1.21184204 13.9360551 49.23615615\n 0.22867219 -2.52398089]\",[-105.263516],8224,46,Optimization terminated successfully.,True,217,1.3248444812385267,1tx7,91.52400303693773,4.599999904632568,13,2,\"[(2, 0, 10, 5), (4, 7, 11, 1)]\"\n\"[-1.44057315e+00 3.00899156e+00 7.36320440e-01 3.43701351e+01\n 2.54801090e+01 2.70476889e+01 -1.66480866e+00 2.21933152e+00\n -7.03767494e-02 -7.42723382e-01 5.99278790e-01 1.94694610e-02]\",[-141.8347402],48867,308,Optimization terminated successfully.,True,331,1.435246107720374,1k06,122.15071756872462,5.340000152587891,23,6,\"[(0, 1, 11, 12), (0, 8, 9, 10), (1, 11, 12, 13), (11, 12, 14, 15), (12, 14, 15, 16), (18, 17, 15, 14)]\"\n\"[ -1.53420713 0.49970537 -1.86079832 -3.84563742 27.65080216\n -12.11355635 1.1812713 2.1174327 1.00236861 0.80921799\n 2.0546501 -1.14433388 0.44274476 0.53392677]\",[-81.7253887],65613,416,Optimization terminated successfully.,True,466,3.167340759510586,6dxg,55.70559269046581,4.849999904632568,32,8,\"[(1, 2, 22, 28), (26, 5, 25, 12), (11, 23, 7, 6), (10, 11, 12, 25), (5, 25, 12, 11), (16, 15, 14, 27), (5, 27, 14, 15), (17, 16, 15, 14)]\"\n\"[ 0.90304344 2.21044701 2.17735683 7.46162421 -25.34831039\n 13.33626629 3.08323979 1.69455692 -1.62752766 2.88098633\n -2.91937153]\",-120.42277298394444,35672,229,Optimization terminated successfully.,True,304,1.1721847813205,4uyg,107.91077407411967,7.599999904632568,31,5,\"[(5, 4, 3, 2), (6, 5, 4, 3), (23, 22, 14, 13), (1, 18, 19, 20), (24, 25, 28, 29)]\"\n\"[-1.12683706 0.51633341 -0.34014483 2.90102328 14.5771016 29.06484419\n -1.45932196 2.86697612 0.41509448 -1.95201211]\",[-108.52003334],19403,123,Optimization terminated successfully.,True,324,1.0828629891259944,1a9u,95.92396757046345,7.320000171661377,27,4,\"[(6, 5, 2, 0), (15, 16, 8, 3), (18, 19, 12, 13), (24, 25, 18, 17)]\"\n\"[-0.32585371 -0.47740947 -2.03044664 -4.75926391 3.26376047 15.36635483\n 2.50006778 -3.08269843 -0.30598027]\",[-119.67924523],11664,67,Optimization terminated successfully.,True,180,0.9492255493298006,1ydb,98.86217636650184,8.239999771118164,13,3,\"[(12, 0, 11, 4), (5, 1, 7, 2), (1, 7, 2, 10)]\"\n\"[ 2.01463979 -0.1944246 -0.1635222 -26.49141827 4.12686293\n -10.18447 0.62719312 -2.94662537]\",[-37.34081481],25422,164,Optimization terminated successfully.,True,180,1.245388347087112,5enf,19.85737754798589,3.569999933242798,12,2,\"[(5, 1, 8, 9), (1, 8, 9, 10)]\"\n\"[-6.03247270e-01 -8.81560855e-02 5.80074733e-01 -1.29654720e+01\n -1.12391845e+02 1.35455229e+01 -2.93597694e+00 3.12454451e+00\n 1.82847376e-01 2.88932582e+00 2.89459345e+00 2.42830159e+00\n 1.29193209e-01 -3.94891723e-01]\",-94.97645693517127,23723,151,Optimization terminated successfully.,True,610,1.3425538391440357,1n7m,56.663815722826165,5.710000038146973,43,8,\"[(3, 4, 8, 9), (12, 13, 17, 18), (21, 22, 26, 27), (22, 26, 27, 28), (26, 27, 28, 29), (32, 33, 38, 39), (33, 38, 39, 40), (38, 39, 40, 41)]\"\n\"[ 2.55596393 -0.8393438 -0.50944954 25.4257348 26.68262609 1.73187318\n 1.53013396]\",-8.044332247195479,14644,93,Optimization terminated successfully.,True,55,0.2649218134139902,4wks,4.431581883748852,2.700000047683716,4,1,\"[(0, 1, 2, 3)]\"\n\"[ -2.03623015 2.6906373 1.15741698 -18.95784716 32.32439093\n -2.08711869 -1.13049479 1.01811979 -1.85797748 -2.96031517\n 0.2026658 -1.4655404 1.98905008 -0.91653196 3.0081121\n 0.93887149 1.14523345 1.87244712 0.89554471 0.1823414\n -0.12835401 1.46700455]\",[-121.93008078],78787,500,Maximum number of iterations has been exceeded.,False,559,3.380426163368876,2fde,225.60711778237277,9.149999618530273,48,16,\"[(0, 2, 7, 9), (2, 7, 9, 10), (7, 9, 10, 12), (9, 10, 12, 13), (15, 13, 12, 10), (10, 12, 14, 16), (18, 15, 13, 12), (12, 14, 16, 20), (14, 16, 20, 23), (26, 23, 20, 16), (16, 20, 24, 29), (31, 26, 23, 20), (20, 24, 29, 33), (21, 25, 30, 35), (38, 35, 30, 25), (41, 38, 35, 30)]\"\n\"[ 0.59011352 -2.39751618 -2.27633493 40.80323025 9.88109142 10.84671477\n -0.19844113 -0.62583515 0.41774349 -1.73723013 1.73140613 -1.02603522\n 1.77070052 -0.24916999 1.15507477 -1.793679 -1.61168942 2.103218\n -0.21529608 0.26022824 0.87214101 -0.7292329 -0.45952833 2.5849775\n 1.37904924]\",[-108.08029133],77048,500,Maximum number of iterations has been exceeded.,False,589,3.253022206779245,1wv7,186.3922046364655,7.260000228881836,43,19,\"[(1, 0, 2, 3), (1, 0, 23, 21), (0, 2, 3, 4), (2, 3, 4, 5), (2, 3, 6, 7), (3, 4, 5, 18), (4, 5, 18, 19), (3, 6, 8, 9), (15, 9, 8, 6), (10, 15, 9, 8), (11, 12, 16, 17), (38, 21, 23, 0), (33, 38, 21, 23), (24, 22, 23, 0), (23, 22, 24, 25), (22, 24, 27, 28), (30, 35, 39, 40), (35, 39, 40, 41), (39, 40, 41, 42)]\"\n\"[-0.48732093 -0.53261516 2.17549581 1.94278791 18.80761742 19.26016175\n 1.23665448 -1.39168051 1.11263163 1.25651966 -1.16394163 -3.0098877\n -0.91010216 1.34258476 0.17762027 -2.39439392 -0.96464141 1.64156523\n 1.56836888 0.29185216]\",[-116.80391927],82911,500,Maximum number of iterations has been exceeded.,False,517,4.03987687832697,1k1n,126.92487290985957,6.820000171661377,42,14,\"[(4, 0, 9, 10), (2, 5, 6, 8), (0, 9, 10, 12), (14, 12, 10, 9), (9, 10, 11, 40), (10, 11, 40, 41), (19, 14, 12, 10), (21, 20, 35, 40), (24, 21, 20, 35), (29, 24, 21, 20), (26, 27, 33, 34), (36, 35, 40, 11), (40, 35, 36, 37), (35, 36, 37, 39)]\"\n\"[ -1.62455535 -2.2257724 2.46398121 3.85047621 -10.26070393\n 26.32567036 0.6882839 -2.41523019 -0.84556298 1.32353023\n 0.52386727 -0.75790516 2.62524366 2.48938105 2.74138219\n 0.56783385]\",[-155.74345853],81758,500,Maximum number of iterations has been exceeded.,False,771,1.2977869569844762,3sue,171.80121003583088,9.079999923706055,54,10,\"[(0, 3, 4, 19), (14, 15, 23, 42), (12, 39, 15, 14), (24, 16, 42, 23), (24, 16, 43, 18), (16, 43, 18, 17), (47, 48, 18, 17), (16, 24, 20, 44), (16, 42, 23, 15), (8, 37, 29, 28)]\"\n\"[-9.50453602e-01 -2.66642447e-01 1.58888965e+00 -2.12968111e+00\n 5.51129944e-01 6.65969198e+00 1.42461280e-01 -1.28642961e+00\n 6.76523140e-04 1.67720030e+00 -1.61091500e+00 1.87143791e+00\n 8.89060302e-01 -2.99791744e-01]\",[-92.90286931],80019,500,Maximum number of iterations has been exceeded.,False,386,1.9978107886946594,3t4v,81.67475099169357,6.300000190734863,23,8,\"[(8, 1, 6, 4), (6, 1, 8, 10), (13, 3, 12, 8), (14, 13, 3, 12), (2, 4, 6, 1), (1, 8, 10, 5), (1, 8, 12, 3), (15, 14, 13, 3)]\"\n\"[ 0.91197689 -0.87625985 -2.88365835 -18.91445418 -29.7692613\n -12.12835634 0.84383289 1.98680456 1.097038 -0.37200321\n -0.98927214 2.73792804 -2.71420341 -0.89041919 -1.91725043\n -0.43370645 2.72831272 -2.21284787]\",[-68.15002961],82720,500,Maximum number of iterations has been exceeded.,False,361,2.1978809778597115,4c52,90.67268241725169,5.679999828338623,35,12,\"[(0, 1, 3, 4), (1, 3, 4, 5), (1, 3, 10, 11), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (3, 10, 11, 12), (10, 11, 13, 14), (11, 13, 14, 15), (11, 13, 17, 18), (13, 14, 15, 16), (20, 19, 17, 13)]\"\n[-2.78747312 -2.43227341 -0.36899796 2.4946174 -9.36186145 43.83815535],-16.559733708522216,14847,97,Optimization terminated successfully.,True,168,0.9202322715403204,3jq8,8.91020155080439,4.460000038146973,15,0,[]\n\"[ 1.99232025e-01 -2.01269311e+00 -2.91262071e+00 9.11077356e+01\n 9.27995461e+01 -4.46919865e+01 3.27293442e-01 -2.85414950e+00\n 4.14707113e-02 2.08910662e+00 1.66390259e-01]\",[-88.30817231],19806,122,Optimization terminated successfully.,True,345,0.9792855065223725,5o1i,74.10774235301398,5.400000095367432,24,5,\"[(0, 5, 1, 8), (5, 1, 8, 23), (5, 1, 22, 9), (19, 18, 2, 3), (4, 10, 6, 16)]\"\n\"[-0.81150851 2.96554978 -2.41625813 7.40838733 11.28926469 47.57080897\n 0.59407746 2.6648456 -2.66457741 -1.93614845 -0.5020681 -0.36107038\n -1.19825127 -0.54202869]\",[-217.60664692],78444,500,Maximum number of iterations has been exceeded.,False,415,1.2450128298574115,6g9j,229.52504066804744,8.390000343322754,36,8,\"[(20, 18, 1, 0), (0, 1, 21, 22), (24, 2, 22, 21), (3, 24, 2, 22), (10, 27, 6, 5), (12, 28, 11, 10), (11, 28, 12, 13), (1, 21, 22, 2)]\"\n\"[ -2.59469898 -2.07448488 -1.1019923 -9.18840571 -19.24759683\n -6.71698946 -1.35303149 -1.69177489 0.24911694 2.62225269\n -0.52661906 0.65496565 -0.74263512 -3.08108771 -0.24526177\n -2.77408546 -0.4988685 -0.89895605 -0.40610239 1.93192925\n 1.54832399 1.33515405 1.14580941 -3.03780605 1.43032971\n -1.48924314 1.40344096 0.53842443 0.71875866 1.32256737\n -0.8143164 1.32858761 1.96476862 0.71379669 -0.44556658\n -2.9619892 -0.69886834 -2.8029193 -0.16808202 1.14747369\n 0.37402189 -2.62369246 -0.52239864 0.7490836 -2.14133477\n -0.28034504 0.05626785 2.28548622 1.96518449 0.70786271]\",[-71.88194179],76731,500,Maximum number of iterations has been exceeded.,False,977,7.1001255837188415,3g2w,56.54493061655974,5.659999847412109,72,44,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 16, 17), (9, 12, 13, 14), (10, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 24, 25), (17, 20, 21, 22), (18, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (25, 26, 32, 33), (25, 28, 29, 30), (26, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 41, 42), (33, 36, 37, 38), (36, 37, 38, 39), (34, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 49, 50), (42, 45, 46, 47), (43, 49, 50, 51), (49, 50, 51, 52), (49, 50, 53, 54), (50, 51, 57, 58), (50, 53, 54, 55), (53, 54, 55, 56), (51, 57, 58, 59), (57, 58, 59, 60), (57, 58, 61, 62), (58, 59, 63, 64), (59, 63, 64, 65), (63, 64, 65, 66), (63, 64, 67, 68), (64, 67, 68, 69)]\"\n\"[ 1.72569060e+00 1.50460084e+00 3.23864950e-01 -7.10538379e+00\n 9.82514634e-01 -1.07755518e-01 2.45005670e+00 -5.26733666e-01\n 1.58458284e+00 1.77417968e+00 3.89456903e-01 -1.01876425e+00\n -2.02205364e+00 -1.78088337e+00 1.50469138e+00 7.71991922e-01\n 3.14834020e-01 -3.02104250e+00 -5.70616774e-01 6.62262501e-03\n 1.81292140e+00 -2.92761826e+00 -7.61767774e-01 -9.88191058e-01\n 1.04290073e+00 6.85729720e-01 -8.73704431e-01 -1.62174213e+00\n -1.04441470e+00 -3.42073809e-01 -2.98375377e-02 2.75382264e+00\n 8.36178380e-01 1.20179565e+00 -2.24475600e+00 -2.55394845e-01\n -9.35746769e-01 6.37464070e-01 -1.05012488e+00 -5.90687454e-01\n -1.16613453e+00 -1.38290941e+00 -1.93359196e+00 1.50791735e-01\n -1.40815595e+00 -4.16758403e-01 1.87599295e-01 1.09996249e+00\n -1.12477848e+00 -1.44236621e+00 2.95644955e+00 -6.94411080e-01\n 1.50066630e+00 1.57402256e+00 -1.63681003e+00]\",[-85.75532337],85689,500,Maximum number of iterations has been exceeded.,False,1152,5.222474606491318,3eqs,108.06187146957726,8.479999542236328,94,49,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 9, 13, 14), (9, 13, 14, 15), (13, 14, 15, 16), (18, 17, 14, 13), (14, 15, 24, 25), (19, 18, 17, 14), (15, 24, 25, 26), (24, 25, 26, 27), (25, 26, 29, 30), (26, 29, 30, 31), (29, 30, 31, 32), (29, 30, 33, 34), (30, 31, 38, 39), (30, 33, 34, 35), (33, 34, 35, 36), (31, 38, 39, 40), (38, 39, 40, 41), (43, 42, 39, 38), (39, 40, 50, 51), (44, 43, 42, 39), (40, 50, 51, 52), (50, 51, 52, 53), (55, 54, 51, 50), (51, 52, 64, 65), (56, 55, 54, 51), (52, 64, 65, 66), (64, 65, 66, 67), (64, 65, 68, 69), (65, 66, 72, 73), (65, 68, 69, 70), (66, 72, 73, 74), (72, 73, 74, 75), (72, 73, 76, 77), (73, 74, 80, 81), (73, 76, 77, 78), (74, 80, 81, 82), (80, 81, 82, 83), (80, 81, 84, 85), (81, 82, 88, 89), (81, 84, 85, 86), (82, 88, 89, 90), (88, 89, 90, 91), (88, 89, 92, 93)]\"\n\"[ -2.88737511 -1.72295523 1.05024198 -24.70114766 -16.0782273\n -7.33593941 -1.66567044 1.01621261 0.16295226 1.25221449\n 0.49037387 -0.24469311 -0.54733357 -1.06285073]\",[-91.51552848],22509,140,Optimization terminated successfully.,True,277,2.343776332012869,4ks2,124.98199849632765,9.34000015258789,23,8,\"[(0, 1, 2, 3), (1, 2, 3, 4), (6, 5, 2, 1), (7, 6, 5, 2), (7, 8, 9, 10), (12, 13, 14, 15), (6, 18, 19, 20), (18, 19, 20, 21)]\"\n\"[ -2.81383924 -1.96369277 -2.45957081 -7.77301689 -28.65690567\n -9.99708389 -1.38741616 2.66551549 -2.48025283 -0.62655128\n 2.08682071 1.38909553 -0.29280217 2.16019755 -0.69654848\n 1.12426041 -0.15102933 2.26383478 -0.08265651 2.21928291\n 0.53113164 2.61204847 -0.27761683 0.78247758]\",[-72.66422279],85168,500,Maximum number of iterations has been exceeded.,False,1081,2.2467370566568268,5wxf,101.34671938544557,4.480000019073486,94,18,\"[(6, 7, 10, 11), (17, 16, 13, 12), (18, 17, 16, 13), (26, 27, 28, 30), (27, 28, 30, 29), (31, 29, 30, 28), (30, 29, 31, 32), (29, 31, 32, 33), (42, 43, 46, 47), (43, 46, 47, 48), (50, 51, 54, 55), (51, 54, 55, 56), (54, 55, 56, 57), (59, 60, 63, 64), (60, 63, 64, 65), (72, 71, 68, 67), (73, 72, 71, 68), (87, 88, 89, 90)]\"\n\"[ 2.94459554 2.47423376 -0.60086061 12.13067087 15.85118081 4.81891194\n -1.59933544 0.5135383 -2.70046476 -2.07344301 -2.28228447 0.59206421\n -1.69775353 -0.43657921 0.44995216 1.48402156 0.76458266 -0.43363297\n 1.22369589 0.0559433 -2.04004889 2.65659836 0.13510522 -0.43346042\n -0.53039956]\",[-101.13104281],77932,500,Maximum number of iterations has been exceeded.,False,631,4.727876359810591,1g7f,99.93462698184368,5.46999979019165,39,19,\"[(2, 0, 9, 13), (8, 3, 12, 9), (5, 6, 10, 11), (0, 9, 13, 15), (3, 12, 9, 0), (6, 10, 11, 16), (10, 11, 16, 18), (10, 11, 17, 19), (11, 16, 18, 27), (11, 17, 19, 21), (16, 18, 27, 28), (17, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (18, 27, 28, 30), (27, 28, 30, 32), (33, 29, 28, 27), (38, 33, 29, 28)]\"\n\"[-2.47642073 1.31240583 1.69953276 0.98263481 38.28989834 27.93706402\n -0.52008658 1.34510973 1.25203583 0.94792013 2.74986031 -0.77673609\n 1.87425395 1.30884126 2.63153212]\",[-89.26559718],75678,500,Maximum number of iterations has been exceeded.,False,465,1.7237777316763951,4cqe,225.67623286947665,8.430000305175781,43,9,\"[(1, 7, 8, 9), (12, 11, 8, 7), (13, 12, 11, 8), (20, 19, 18, 13), (23, 22, 21, 20), (29, 28, 27, 24), (34, 33, 32, 19), (34, 38, 39, 40), (38, 39, 40, 41)]\"\n\"[-5.05233116e-01 -1.57088087e+00 -1.79985197e+00 -4.45615473e+00\n -3.18660180e+01 9.96393647e+00 -1.51733297e-02 1.68849134e-01\n -1.75136458e+00 -1.81335863e+00 -1.47179511e+00 1.51765872e+00\n -1.82492812e+00 6.93072422e-01]\",[-140.54061353],56291,358,Optimization terminated successfully.,True,420,4.03381624613689,2oiq,156.60348475969914,5.0,37,8,\"[(7, 6, 2, 1), (13, 12, 10, 9), (14, 13, 12, 10), (16, 17, 19, 20), (21, 20, 19, 17), (22, 21, 20, 19), (28, 27, 24, 23), (29, 28, 27, 24)]\"\n\"[ 1.09260352e+00 -2.91108858e+00 2.62960808e+00 1.92435284e+01\n -6.40666602e+01 2.39775653e+01 -3.11977907e-01 1.88444499e+00\n -2.88984576e+00 -1.39860126e+00 -3.54053125e-02 4.20633079e-02\n 8.32684309e-01 -8.33271827e-01 2.71708359e+00 -3.74903737e-01\n 1.34381918e+00 -1.35086607e+00]\",[-96.46630786],84563,500,Maximum number of iterations has been exceeded.,False,359,4.260925505140581,4avi,90.7329823188972,7.630000114440918,24,12,\"[(5, 0, 2, 1), (2, 0, 5, 6), (0, 2, 3, 4), (0, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (13, 12, 11, 10), (14, 13, 12, 11), (18, 20, 22, 23)]\"\n\"[-2.03159743 1.54236299 2.63424469 22.38060713 3.91631842 60.50870761\n -0.73644681 -1.2170355 -0.95155066 -0.92549954]\",[-85.57589368],45229,294,Optimization terminated successfully.,True,430,2.4567744538966902,3ws8,65.17111748583052,6.679999828338623,28,4,\"[(10, 26, 11, 5), (23, 14, 21, 22), (24, 15, 22, 21), (15, 22, 21, 14)]\"\n\"[ 1.18263566 -0.30944351 1.84383622 -46.53167137 41.16624271\n -34.17827484 -1.02635299 1.09472399 -1.06502101 1.68900055\n -1.38235548 1.48506423 1.89243438 -1.78715447 -0.68146104\n 0.57651722 -1.75840906 1.22806704]\",[-67.1344003],82606,500,Maximum number of iterations has been exceeded.,False,309,2.1299489736128474,6f05,68.25260742582842,4.46999979019165,23,12,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 5, 6, 7), (5, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 18, 19), (10, 13, 14, 15), (11, 18, 19, 20), (18, 19, 20, 21)]\"\n\"[-1.19350542 -1.6357647 -1.81247117 -9.72136687 -6.07859288 13.17839973\n -2.52663505 0.95488246 -1.86778799 -1.92132638 2.65748205 -1.53564381\n -2.21389616 -1.74741576 2.42599436 0.25647089 -0.43615416 -0.56779375\n -0.36282796 -0.19331724 0.92670124 1.03171805 -1.97906317 2.79297894\n -0.88838916]\",[-102.42417258],76606,500,Maximum number of iterations has been exceeded.,False,731,3.244826998864325,5eqq,202.92589499590076,8.170000076293945,52,19,\"[(3, 13, 0, 14), (13, 0, 15, 16), (29, 28, 1, 2), (7, 6, 5, 4), (6, 8, 9, 10), (6, 8, 43, 44), (8, 9, 10, 11), (2, 12, 10, 9), (0, 15, 16, 17), (0, 15, 24, 25), (15, 16, 17, 18), (16, 17, 19, 20), (17, 19, 20, 21), (30, 29, 28, 1), (29, 30, 31, 32), (36, 37, 41, 42), (8, 43, 45, 46), (43, 45, 46, 47), (50, 49, 46, 45)]\"\n\"[ 2.90631623 -2.73432156 -1.82110038 -33.61308421 1.74222651\n 43.12618528 -1.34307479]\",-56.119870213885605,15876,101,Optimization terminated successfully.,True,631,3.1497538169255086,2wzy,47.908367222671906,10.720000267028809,50,1,\"[(8, 7, 3, 2)]\"\n\"[ 2.00099108 0.60909244 -1.54666624 18.12269464 9.42041382 35.32717557\n -0.51903287 -1.46505546 -2.84469365 -2.66133554 -1.79513438 -0.56246523\n 2.7218387 1.32845348]\",[-109.83329205],41620,264,Optimization terminated successfully.,True,319,0.9992202533587378,1aj7,103.69421269196452,3.869999885559082,20,8,\"[(8, 0, 1, 3), (5, 6, 9, 10), (6, 9, 10, 13), (9, 10, 13, 14), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 19)]\"\n\"[ 2.50966462 -1.66582329 -0.51970241 -15.42657373 66.12365974\n 18.29247251 -1.25213987 -0.41125003 -0.86669018 1.0675112\n -2.28508789 0.61238808]\",[-109.1150661],47879,300,Optimization terminated successfully.,True,569,1.7117597715338955,4hyf,82.44240176490989,7.599999904632568,37,6,\"[(8, 7, 5, 4), (28, 27, 8, 7), (7, 11, 12, 13), (15, 14, 13, 12), (19, 18, 17, 16), (29, 30, 33, 34)]\"\n\"[ -2.14202454 -0.34461913 -1.37984408 -27.08845205 8.21907592\n 59.96637458 1.22056475 -0.39422346 -2.37912798]\",[-88.70449847],9195,54,Optimization terminated successfully.,True,261,1.3250276412194109,5k48,52.35601132249836,6.599999904632568,17,3,\"[(6, 2, 15, 16), (2, 6, 4, 3), (1, 10, 9, 8)]\"\n\"[-0.98859204 2.47627569 -0.90135866 94.70700517 0.40371397 30.27596637\n -2.96126237 0.80249425 -3.07894146 0.93300805 0.70273915 -3.05149264\n 0.34300055 1.95546282]\",[-94.69236601],59731,378,Optimization terminated successfully.,True,582,3.721504520992992,5mhp,80.51433294009844,7.820000171661377,42,8,\"[(0, 4, 5, 6), (8, 7, 5, 4), (9, 8, 7, 5), (15, 14, 13, 10), (21, 22, 23, 24), (16, 25, 26, 27), (29, 28, 26, 25), (36, 35, 34, 29)]\"\n\"[ 2.87934331 1.3865472 -0.33853503 7.18885983 -6.11373171 21.40311975\n 0.2101613 -0.60633594 0.05949704 2.41223496]\",[-87.88914014],28103,181,Optimization terminated successfully.,True,462,0.937658913558168,5nsp,37.83171546090396,6.46999979019165,36,4,\"[(25, 26, 0, 1), (18, 17, 16, 6), (24, 23, 22, 19), (30, 29, 28, 23)]\"\n\"[-1.56648455 -1.9861769 0.52909071 42.19120991 33.5041326 32.6000962\n -1.25943819 0.84335058 -1.24225561 1.94145224]\",-81.40517913610383,32931,217,Optimization terminated successfully.,True,431,2.762217963145489,1ouy,71.2063665206342,8.369999885559082,34,4,\"[(6, 5, 4, 3), (7, 6, 5, 4), (26, 25, 7, 6), (18, 17, 10, 9)]\"\n\"[-1.53589494 -2.60573968 1.10888952 25.26201816 26.43308719 34.86301056\n 2.87633971 -0.24174863 -1.64870322 -2.42219331]\",[-210.1106641],25542,164,Optimization terminated successfully.,True,362,1.303960983824336,1x39,192.64625082125912,9.220000267028809,22,4,\"[(3, 2, 1, 0), (10, 11, 14, 15), (16, 15, 14, 11), (17, 16, 15, 14)]\"\n\"[ -1.82482193 -2.76999082 0.55416173 -39.32693366 21.61688945\n 19.40810006 0.47912895 1.09472774 1.44176824 -1.18441053\n -0.35141039 2.33225119 -1.02979222 2.10925763 -0.06067946\n 1.7637308 2.23449699 1.82008375 2.10334446 -1.35679972\n -0.32481833 -0.32375989 -1.73221516 1.93079293 1.41539047\n -0.2897332 ]\",[-67.35242516],80208,500,Maximum number of iterations has been exceeded.,False,538,4.4629928772997465,4ps1,70.59900463766044,6.659999847412109,39,20,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 5, 6), (3, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 13, 14), (6, 9, 10, 11), (7, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (23, 22, 15, 14), (14, 17, 18, 19), (17, 18, 19, 20), (22, 23, 24, 25), (23, 24, 30, 31), (24, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 34, 35, 36)]\"\n\"[ 0.28123296 -1.86705404 1.693955 6.07780711 26.26104169 4.31060849\n 0.12837828 -2.58275666 2.5768559 -3.01461406]\",[-120.91084372],12046,73,Optimization terminated successfully.,True,297,0.9704714722335319,1b2m,101.97712193290475,3.7300000190734863,23,4,\"[(3, 2, 1, 0), (2, 4, 5, 20), (4, 5, 20, 21), (10, 9, 8, 3)]\"\n\"[ 1.90690413 -2.15583025 1.65048999 8.55499612 37.30478583 25.29885549\n -0.93932416 -0.62258963 -0.30015054 -1.59959448]\",[-186.51613568],13463,79,Optimization terminated successfully.,True,605,3.069859813139063,5l2z,184.02875264783307,10.220000267028809,48,4,\"[(22, 21, 20, 0), (4, 22, 21, 20), (10, 27, 38, 40), (27, 38, 40, 46)]\"\n\"[ 2.425007 -1.87205565 0.77756794 9.34395662 23.2982703 50.55865014\n 2.01337211 -2.76360457]\",[-38.74520447],18138,113,Optimization terminated successfully.,True,216,1.3347543794570236,1wbg,24.602393214326057,3.0,14,2,\"[(3, 2, 1, 0), (8, 7, 5, 4)]\"\n\"[-2.2190584 -3.09777276 -0.94542063 9.22127286 8.99483673 46.07298808\n 1.01771164 1.03945698 0.96377026 -1.18943752 0.62737911 2.68413477\n -0.75352742 -0.62593912 0.29751073 3.10713925 -2.27230839 2.29879652]\",[-92.89307548],83214,500,Maximum number of iterations has been exceeded.,False,176,2.799723284993281,4yw6,87.1559311431463,7.079999923706055,34,12,\"[(0, 4, 5, 6), (4, 5, 7, 8), (5, 7, 8, 9), (5, 7, 13, 14), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (7, 13, 14, 15), (17, 16, 14, 13), (23, 22, 19, 18), (24, 23, 22, 19), (24, 25, 26, 27)]\"\n\"[-0.11483197 -1.54300148 -1.70760686 56.23002977 68.79305327 17.49683225\n 1.38510539 0.90925263 -0.52524121 1.29097287 -0.45159926 -0.37189265\n 0.16900296]\",[-65.85928942],79234,500,Maximum number of iterations has been exceeded.,False,481,2.9584505763149047,3m8q,86.3642000492986,9.520000457763672,35,7,\"[(2, 1, 0, 7), (8, 7, 0, 1), (17, 16, 5, 2), (18, 17, 16, 5), (25, 24, 20, 19), (26, 25, 24, 20), (27, 28, 31, 32)]\"\n\"[ 2.41688984e+00 6.53403055e-01 -2.53928198e+00 -1.64741794e+01\n -2.00855155e+01 -3.32680036e+00 1.33015314e+00 3.40215931e-01\n -1.19204409e+00 1.88499472e-02 1.24847245e+00]\",[-54.00871197],43216,273,Optimization terminated successfully.,True,225,1.5320262494309247,5c0k,37.019167055691156,2.9200000762939453,13,5,\"[(0, 1, 6, 5), (7, 3, 4, 9), (4, 3, 7, 6), (11, 5, 6, 1), (1, 6, 7, 3)]\"\n\"[-2.91910657 -1.63479963 -0.82747589 -4.02563974 -6.08663058 15.60209404\n 1.41910329 1.15049477 -3.03601884 -1.47521258 -0.38498977 -2.92276242]\",[-164.90603758],31941,194,Optimization terminated successfully.,True,634,2.3134897448623164,4uxq,255.9981638690947,7.800000190734863,39,6,\"[(30, 11, 1, 12), (29, 8, 28, 26), (30, 10, 32, 33), (9, 30, 11, 1), (6, 24, 26, 27), (8, 28, 26, 24)]\"\n\"[ 0.39754683 -2.76887826 -2.5780145 5.46943874 5.61175418\n -20.27888461 0.10373533 1.21955681 -0.68202191]\",[-40.76578826],19656,121,Optimization terminated successfully.,True,201,1.3475350970196562,6f8b,30.98125439916955,5.210000038146973,13,3,\"[(0, 3, 8, 4), (8, 4, 5, 10), (3, 8, 4, 5)]\"\n\"[ 0.8076236 -0.32014963 0.8996994 -28.57457696 43.42910025\n 9.73805316 -2.89301682 0.65955587 2.45036135 -1.80919353\n -1.61290646 1.40020059]\",[-139.6219524],34619,215,Optimization terminated successfully.,True,467,1.9670376642038818,6hdo,116.52204100847464,6.599999904632568,38,6,\"[(12, 13, 2, 3), (0, 11, 9, 8), (2, 13, 12, 1), (2, 19, 20, 21), (22, 21, 20, 19), (23, 22, 21, 20)]\"\n\"[ 0.81970359 0.63492593 1.22519356 -14.47368437 -21.73179972\n -1.36171098 0.38786326]\",[-47.90113931],11630,70,Optimization terminated successfully.,True,199,1.1249749927430954,3v4j,39.10754252643627,5.039999961853027,12,1,\"[(4, 5, 6, 7)]\"\n\"[ 0.17835039 0.4368153 -0.85306681 -34.72186546 17.29731862\n 38.13937656 -2.20503017 -2.09196192 0.61434967 1.84576679\n 1.82320506 3.12724459]\",[-123.25017256],25285,154,Optimization terminated successfully.,True,275,1.5496341160754072,3rbu,103.26490046447705,9.430000305175781,14,6,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (4, 5, 9, 10), (5, 9, 10, 11)]\"\n\"[ 1.23884144e+00 -9.97659108e-01 -1.65829611e+00 5.90040763e+01\n -1.36874238e+02 3.91800525e+01 1.99690251e+00 6.83680641e-01\n 2.38398279e+00 -1.42062473e+00 2.98029959e+00 8.56568639e-02\n -2.19392457e+00 2.85690143e+00 -9.03266986e-01 1.76945416e+00\n -1.97826359e+00]\",[-103.89105818],77733,500,Maximum number of iterations has been exceeded.,False,395,2.820530385143586,4qvq,100.79116814866643,5.199999809265137,28,11,\"[(0, 1, 6, 7), (1, 6, 8, 9), (6, 8, 9, 10), (11, 10, 9, 8), (8, 9, 17, 18), (12, 11, 10, 9), (9, 17, 19, 20), (17, 19, 20, 21), (19, 20, 21, 22), (19, 20, 25, 26), (20, 21, 22, 23)]\"\n\"[-2.32842965 -0.61743372 -0.20334548 28.29327208 -8.89691207 30.95259936\n -1.06313175]\",[-119.77053876],7276,41,Optimization terminated successfully.,True,245,0.813700650802658,6ccs,82.90112318018387,3.640000104904175,14,1,\"[(8, 7, 4, 3)]\"\n\"[-2.91476608e+00 6.77177372e-01 -2.11222585e+00 3.46731428e+01\n 6.81242349e+01 2.98082722e+01 -1.68088658e+00 1.06582558e+00\n -1.55561672e+00 -3.93792664e-03 9.88887747e-01 1.52114500e+00\n 2.28899885e-01 1.97341789e+00]\",[-93.96650724],40016,253,Optimization terminated successfully.,True,476,2.7415539415653782,5tef,73.59151358919377,5.400000095367432,33,8,\"[(1, 0, 3, 4), (1, 0, 20, 21), (0, 3, 4, 5), (3, 4, 7, 29), (4, 7, 29, 30), (23, 28, 8, 9), (22, 21, 20, 0), (23, 22, 21, 20)]\"\n\"[ -0.73946953 -0.94081217 -1.3788867 33.36501912 -27.7964137\n 27.80799962 -0.14686039 0.91566335 1.59487321]\",[-110.52598574],12265,74,Optimization terminated successfully.,True,315,0.8028217510391054,4k9g,76.15982890725522,5.820000171661377,17,3,\"[(9, 8, 5, 4), (10, 11, 13, 14), (11, 13, 14, 15)]\"\n\"[ 0.11097143 -0.63891844 0.2382493 14.23234493 3.54469367 18.61485853\n -2.11917911 -0.07791165 -0.05058591 2.48340363 -2.70925053]\",-67.35129587883984,13958,88,Optimization terminated successfully.,True,275,1.8820154951582733,4km2,57.72345161160523,5.840000152587891,21,5,\"[(9, 8, 7, 0), (10, 9, 8, 7), (10, 11, 12, 13), (11, 14, 15, 16), (14, 17, 18, 19)]\"\n\"[-1.81751937 -0.68935844 -2.78607905 36.12745474 33.2438738 67.56433112\n -1.02528231 2.98128462 -1.17202591 -1.05766317 0.54466017 0.95483731]\",[-90.56209685],22425,131,Optimization terminated successfully.,True,332,1.4358910543940266,2ohv,65.63369095988668,6.460000038146973,21,6,\"[(0, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (10, 11, 15, 16), (11, 15, 16, 17), (15, 16, 18, 19)]\"\n\"[ 0.49124526 -2.56487401 1.89189748 16.67695676 23.72590851 25.08867076\n -0.73562897 0.39211517 1.97912115 1.93864911 -0.58753645 -2.02714086\n 1.91118162 1.04440822 -1.14699098 1.47662557 1.91849745 0.11177612]\",[-105.14621483],82245,500,Maximum number of iterations has been exceeded.,False,544,2.5380153864100623,1o4b,100.06650112116847,5.699999809265137,44,12,\"[(1, 2, 25, 41), (2, 3, 37, 38), (0, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (6, 7, 10, 11), (15, 9, 8, 7), (16, 15, 9, 8), (7, 10, 11, 12), (23, 22, 20, 19), (26, 23, 22, 20), (32, 31, 28, 27)]\"\n\"[ -0.4254655 0.64542074 -2.80764278 -6.27949486 -36.54274819\n 7.94026793 -3.11847211 1.52962344 -2.07240315 -2.45818366]\",[-214.84305386],13388,84,Optimization terminated successfully.,True,315,0.124093044826956,3uqf,178.51029997952884,4.699999809265137,26,4,\"[(19, 18, 16, 6), (10, 19, 18, 16), (4, 21, 20, 11), (3, 25, 24, 7)]\"\n\"[ 1.09756808 1.16718456 -2.50756451 21.42201118 24.07112268 -9.4588846\n -1.51555068 1.41597632 1.69782693 -1.54434309 2.96841899 0.16090821\n 1.9587823 ]\",[-137.71848168],79150,500,Maximum number of iterations has been exceeded.,False,378,1.9373661106785627,4oyb,137.691401090168,5.800000190734863,21,7,\"[(0, 1, 10, 11), (13, 2, 11, 10), (3, 13, 2, 11), (7, 3, 13, 2), (9, 8, 6, 5), (16, 9, 8, 6), (1, 10, 11, 2)]\"\n\"[ 0.4035915 -2.06620075 -0.72974134 15.80073833 11.41634056 -2.754546\n -0.72023804 1.01317599 -0.0381573 2.05372762 -2.77061495]\",-263.2564832351584,58772,379,Optimization terminated successfully.,True,410,1.7640354394086022,3krr,261.339155036986,9.319999694824219,36,5,\"[(30, 29, 2, 1), (8, 7, 5, 4), (18, 17, 10, 9), (23, 22, 19, 18), (31, 30, 29, 2)]\"\n\"[ 0.36874331 2.25326916 1.06048749 18.24053713 17.40459733 22.68573661\n -2.41484973 0.71962694 2.22292869 -0.54394754 1.41404535 1.9522829\n -1.09966579 0.82825594 0.87529848 -2.88635451 -1.6672508 -2.23546881\n 0.39925749 -2.13041395 -1.23411051]\",[-97.6001512],88194,500,Maximum number of iterations has been exceeded.,False,631,5.145200153416677,5bry,251.79275036117917,11.819999694824219,41,15,\"[(1, 0, 39, 40), (2, 3, 6, 7), (3, 6, 9, 10), (6, 9, 10, 11), (6, 9, 14, 15), (9, 10, 11, 12), (9, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (38, 32, 17, 15), (17, 18, 19, 20), (22, 21, 19, 18), (23, 22, 21, 19), (27, 28, 30, 31), (33, 38, 32, 17)]\"\n\"[ -1.87116197 -2.93016752 -2.64623912 5.13323627 -10.82618938\n 41.21936521 -0.06737483 3.11344177 -1.58480666 1.85675719\n 2.09968907 -1.26231341 1.24965614 -0.96363784 -1.24623669\n 2.26356172 0.29774353 -2.3880188 2.31279181 -1.69297387\n -0.81005523 1.39080224 -2.98744455 -0.23947284 -1.82111976\n -0.7149823 ]\",[-84.52996456],80748,500,Maximum number of iterations has been exceeded.,False,459,4.1655597639242705,3vb4,123.80453100578345,4.309999942779541,36,20,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 9), (7, 8, 9, 10), (8, 9, 12, 13), (9, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (13, 14, 19, 20), (14, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 30, 29), (20, 23, 24, 25), (28, 27, 29, 30), (27, 29, 30, 21), (27, 29, 31, 32), (29, 31, 32, 33), (31, 32, 33, 34)]\"\n\"[ 0.7928133 2.35164074 -0.44671277 -47.74580883 15.47840773\n -22.40333081]\",-23.353221303136472,17247,113,Optimization terminated successfully.,True,140,4.97488187489598e-05,3deh,14.016872610133484,6.829999923706055,13,0,[]\n\"[-1.41819717 2.85050892 1.12548024 5.41239564 3.21123572 48.41204876\n -0.25930407 -2.95442613]\",[-69.99331547],12584,78,Optimization terminated successfully.,True,203,0.7764724413660457,4ge1,49.52055713625583,6.429999828338623,12,2,\"[(3, 2, 1, 0), (4, 3, 2, 1)]\"\n\"[ -1.39735542 1.11116047 2.13013023 2.17202265 125.64687259\n 39.42653886 -2.28405938 1.365081 -2.12507226 -0.45509557\n -2.67093084 -1.49164165 -1.16357411 2.37636947 -0.7310496\n -2.17941912 0.90257367 0.53364067 -0.69642336 0.21098406\n -0.86851082 0.37215041]\",-60.135829935336865,77637,500,Maximum number of iterations has been exceeded.,False,680,4.586101443881284,5oyd,49.15174210203881,2.75,66,16,\"[(1, 0, 8, 6), (20, 11, 3, 2), (3, 4, 5, 13), (0, 8, 6, 7), (15, 20, 11, 3), (40, 23, 17, 16), (17, 18, 19, 25), (26, 25, 19, 18), (35, 40, 23, 17), (27, 26, 25, 19), (60, 43, 37, 36), (37, 38, 39, 45), (46, 45, 39, 38), (55, 60, 43, 37), (47, 46, 45, 39), (57, 58, 59, 65)]\"\n\"[ -1.97202684 1.83181446 -0.76305778 9.3328708 -41.82998661\n 14.23536746 -1.38719688 1.96810933 -1.61106357 0.96185932\n -2.98854366 0.31263518]\",-83.00989757128421,26169,165,Optimization terminated successfully.,True,419,2.100666556376096,5kya,73.7955478245875,8.220000267028809,33,6,\"[(16, 13, 0, 1), (10, 4, 2, 6), (8, 5, 22, 26), (3, 8, 9, 29), (2, 19, 18, 14), (16, 20, 31, 15)]\"\n\"[-2.12833722 2.92592479 2.16298726 27.23334953 46.25955303 54.94829239\n -1.39879248 0.40869795 -2.94638356 2.46893941 -2.91182774]\",[-156.33654769],58670,370,Optimization terminated successfully.,True,411,1.0680638875299369,6ed6,138.05092936984977,7.429999828338623,26,5,\"[(8, 6, 12, 11), (9, 14, 7, 13), (6, 12, 19, 20), (21, 20, 19, 12), (4, 21, 20, 19)]\"\n\"[-2.61664928 -3.02334101 0.20373137 11.1365916 -0.3769239 14.68236393\n 0.02932035 2.27493483 2.86170687 2.45700288 2.7219686 1.03405862\n -1.026873 2.54115065 -1.84989326 0.42944994 2.98543471]\",[-137.92063557],37908,237,Optimization terminated successfully.,True,348,1.391169338978146,2gg0,123.5892693871333,5.769999980926514,27,11,\"[(5, 4, 1, 0), (6, 9, 10, 11), (9, 10, 12, 13), (10, 12, 14, 15), (12, 14, 16, 17), (14, 16, 17, 18), (16, 17, 19, 20), (17, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26)]\"\n\"[ -1.36468957 2.61052761 0.4555726 32.85069265 6.62295948\n -19.87178301 2.24806787 2.83281253 2.66799746 -0.95854527]\",[-153.41704899],31410,204,Optimization terminated successfully.,True,310,0.7548070865582096,2xk6,127.77832784029346,5.800000190734863,24,4,\"[(6, 5, 4, 3), (11, 10, 9, 5), (16, 15, 14, 1), (17, 18, 19, 20)]\"\n\"[ -1.94418808 -1.11227571 -1.90366987 -13.62551513 20.53940471\n -14.20934033 -2.7083406 1.01778891 -2.22100518 3.13759465\n 0.56920844 1.08991778 -1.07707752 0.35763546 0.34611794\n 1.07092983 -0.57256575 -2.52603018 -0.69094754 2.72811605\n 1.68170729 -0.50635461 -2.17983584]\",-70.24549147560538,81165,500,Maximum number of iterations has been exceeded.,False,1174,4.233793799680285,4z0e,76.20278795874864,5.300000190734863,101,17,\"[(9, 8, 7, 6), (10, 9, 8, 7), (20, 21, 24, 25), (27, 28, 31, 32), (34, 35, 38, 39), (35, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (45, 46, 49, 50), (46, 49, 50, 51), (49, 50, 51, 52), (72, 73, 76, 77), (73, 76, 77, 78), (76, 77, 78, 79), (86, 87, 90, 91), (87, 90, 91, 93), (94, 95, 96, 97)]\"\n\"[ 2.50567769 -2.44022334 1.5688924 37.63480767 -29.88369379\n -8.34104633 -1.38816268 2.33161296 -2.02623406 -1.64888421\n 1.23792482 0.15024188 -0.55265506]\",[-237.49223342],79122,500,Maximum number of iterations has been exceeded.,False,411,1.5887986661181301,3rwq,232.14782121483807,7.460000038146973,30,7,\"[(14, 21, 1, 28), (21, 1, 28, 26), (5, 7, 17, 2), (5, 8, 13, 15), (14, 18, 17, 2), (24, 23, 26, 28), (23, 26, 28, 1)]\"\n\"[ 1.9940365 1.81832753 0.57783675 19.14500221 66.99920357 49.82632385\n 0.89768839 0.46162627 0.36738886 0.28132523 -3.06622477 2.94269694\n -2.14341403 0.9915184 -0.11289435 0.51827713]\",[-95.17225135],60169,369,Optimization terminated successfully.,True,461,2.2017475461848846,1dhi,63.98229765680074,7.260000228881836,33,10,\"[(7, 8, 12, 13), (18, 13, 12, 8), (19, 18, 13, 12), (16, 15, 21, 23), (15, 21, 23, 24), (21, 23, 24, 28), (23, 24, 28, 29), (23, 24, 25, 27), (24, 28, 29, 30), (28, 29, 30, 32)]\"\n\"[-1.73817691e+00 5.72424491e-03 -4.52752924e-01 1.17659476e+01\n -2.59712380e+00 5.29479512e+01 2.74246738e+00 -6.28309149e-02\n 2.95265889e+00 -1.57113004e+00]\",[-202.85631339],17566,112,Optimization terminated successfully.,True,274,1.470414214884238,5fxq,174.62441096622246,7.849999904632568,29,4,\"[(13, 12, 2, 1), (7, 6, 5, 1), (14, 13, 12, 2), (20, 19, 17, 16)]\"\n\"[ -3.12963095 -0.05515257 -0.35750381 -11.54037415 -28.77346089\n 10.1174945 -2.55785513 0.2954473 -1.72364016]\",[-119.14650948],12248,75,Optimization terminated successfully.,True,370,1.2114705265097714,4rdn,106.945661361843,5.920000076293945,20,3,\"[(3, 2, 1, 0), (10, 9, 8, 3), (12, 13, 14, 19)]\"\n\"[ 1.3904301 0.08370768 -1.91290941 50.17223117 36.6138352 39.1838711\n -0.09752853]\",[-111.93304228],8594,44,Optimization terminated successfully.,True,175,0.07279742464900905,1h4w,104.2423701370044,4.659999847412109,9,1,\"[(5, 0, 6, 8)]\"\n\"[ 1.96596222e+00 -1.99963146e+00 -3.52286385e-02 1.61483601e+01\n 6.17206216e+00 3.69948270e+01 1.32973160e+00 -2.92745922e+00\n -1.83564667e+00 1.99196531e-01 -1.68110493e+00 2.24282828e+00\n 1.18083284e-02 -1.22346167e+00 8.41592902e-01 2.30621155e+00\n -2.19840413e+00]\",-156.7061824333799,60813,394,Optimization terminated successfully.,True,607,4.287454388438693,2ath,97.19754310792568,6.820000171661377,34,11,\"[(3, 2, 1, 0), (4, 3, 2, 1), (6, 7, 8, 9), (3, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (21, 20, 19, 18), (22, 21, 20, 19), (25, 29, 30, 31), (29, 30, 31, 32)]\"\n\"[-1.87624651e+00 1.98905786e+00 1.35368631e+00 -7.59159900e+00\n 4.18498699e+01 6.75846576e+01 -1.24535028e+00 3.74856368e-02\n -1.53355986e+00 3.64929638e-01 -1.59788869e-01 2.76641580e+00\n -2.67333396e+00 1.54987442e+00]\",[-107.80679231],23602,147,Optimization terminated successfully.,True,327,3.04691784865204,2z3z,80.3408497946065,4.309999942779541,21,8,\"[(0, 1, 2, 3), (14, 13, 1, 0), (1, 2, 3, 4), (1, 2, 7, 8), (2, 3, 4, 5), (2, 7, 8, 9), (7, 8, 10, 11), (13, 17, 18, 19)]\"\n\"[-0.75768396 -0.33035038 -1.58714749 15.93172311 21.37722334 2.46139641\n -1.39348614 -2.03351302]\",[-81.37150006],16769,105,Optimization terminated successfully.,True,298,1.8392310948427533,5d0r,55.25408711992991,6.369999885559082,19,2,\"[(10, 9, 8, 1), (11, 10, 9, 8)]\"\n\"[ 0.65131018 -1.28075107 -0.31527634 -58.69610404 1.9213056\n -20.91858937 0.70608595 1.82045182 -1.73231489 0.63360709\n 2.64203092]\",[-147.84290452],40170,254,Optimization terminated successfully.,True,411,1.3938717386145205,5c8k,132.13215155052882,7.699999809265137,29,5,\"[(1, 11, 5, 12), (15, 14, 7, 6), (0, 8, 10, 9), (16, 15, 14, 7), (25, 24, 23, 17)]\"\n\"[ 1.80514435 -1.74619962 -0.61341989 16.1600397 -3.73551761 15.36403554\n 2.95862135 3.09736704 -2.11137162 0.66736212]\",[-105.9843421],49633,326,Optimization terminated successfully.,True,302,1.383060385559674,3pa4,117.26514736659297,8.520000457763672,26,4,\"[(18, 10, 1, 0), (3, 5, 11, 24), (12, 9, 8, 4), (13, 12, 9, 8)]\"\n\"[ 1.72507824 0.2920893 -1.62252335 0.52815212 30.07957908 5.9063045\n -0.09999328 -0.28039077 -2.92197681 1.43350925 -0.67493312 2.67913776\n 1.61508688 2.01787212 0.85067878 1.63593882]\",[-212.28462959],43007,256,Optimization terminated successfully.,True,411,1.2698026947557042,1h07,180.92855963407595,5.519999980926514,33,10,\"[(14, 20, 2, 3), (8, 17, 4, 3), (4, 17, 8, 7), (4, 17, 11, 10), (2, 20, 14, 24), (0, 22, 25, 26), (22, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ 0.72141053 -1.59235946 -0.5153547 -13.19052649 -29.0046728\n -9.50470359 0.28578594 -1.06161672 3.02346045 -3.12319857\n -2.22612842 -0.46776864 1.62910898 -1.03743529 -0.98184134\n -0.50308717 2.43197496 -2.58947836 -0.44208347 2.79765253\n 0.50385308 -1.45604835 0.15019159 0.30870415 1.60896113\n 3.06486583 -1.66002883 0.38519937 -2.97314242 1.72528986\n 0.2122434 0.91214612 -1.84994157]\",[-77.54077257],85997,500,Maximum number of iterations has been exceeded.,False,790,6.927424115257506,4ezq,79.62127020171131,5.199999809265137,61,27,\"[(0, 1, 2, 3), (8, 7, 2, 1), (7, 8, 9, 10), (8, 9, 14, 15), (9, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (26, 25, 16, 15), (15, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (25, 26, 27, 28), (26, 27, 32, 33), (27, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 40, 41), (33, 36, 37, 39), (34, 40, 41, 42), (40, 41, 42, 43), (45, 44, 41, 40), (41, 42, 52, 53), (46, 45, 44, 41), (42, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 56, 57, 58)]\"\n\"[-1.77661054 -1.84832613 2.30684438 -8.13201073 26.08508369 -3.40966391\n -2.22536383 -0.58399736 -1.49864309 -1.12010471 -2.76921275]\",-83.20324499950708,46606,300,Optimization terminated successfully.,True,481,2.8370410049562236,5nr7,66.30198898734794,6.019999980926514,34,5,\"[(10, 9, 7, 5), (16, 15, 12, 11), (17, 16, 15, 12), (27, 26, 24, 23), (28, 27, 26, 24)]\"\n\"[ 0.52068681 1.09871667 -3.04897699 -51.18206276 -7.44925315\n -26.7310556 1.77869552 0.43152802 1.51696844 -2.04422042\n 1.72126429 -2.87231576 2.90621467]\",[-172.65230752],49070,307,Optimization terminated successfully.,True,447,1.6274014768386384,5cau,164.3966034078661,8.800000190734863,34,7,\"[(14, 0, 6, 7), (18, 17, 3, 4), (5, 13, 6, 0), (11, 8, 10, 9), (19, 18, 17, 3), (25, 24, 22, 21), (26, 27, 31, 32)]\"\n\"[ 2.42560849 2.29631384 -1.14790931 -29.80093682 7.46791393\n -14.42607558 2.68400004 1.67154397 0.50147614 2.64276182\n 0.64846879]\",-70.2077083667998,52766,340,Optimization terminated successfully.,True,476,1.5284015274900897,4o0v,69.24914062712716,8.479999542236328,30,5,\"[(0, 1, 2, 3), (1, 2, 3, 4), (5, 4, 3, 2), (6, 5, 4, 3), (15, 14, 13, 5)]\"\n\"[ 1.55745673 0.97257717 -1.52892781 18.54338284 10.41476375 9.57259577\n -0.21865121 -2.88894845 -0.11919489 -1.20929039]\",[-49.45998408],18592,114,Optimization terminated successfully.,True,271,1.358126757702376,5alx,47.33946928839836,5.480000019073486,17,4,\"[(3, 2, 1, 0), (4, 3, 2, 1), (10, 9, 7, 6), (11, 12, 14, 15)]\"\n\"[ 0.87933707 -2.95805891 0.55463618 -2.46294626 4.94614761 16.32988914\n 0.59490704 1.30352199 1.45396317 -2.32572338 1.27916608 1.41961025]\",[-122.90910046],35438,215,Optimization terminated successfully.,True,344,1.8439809284117012,1bn4,121.95982200637818,9.3100004196167,22,6,\"[(15, 0, 11, 8), (2, 1, 19, 16), (7, 2, 1, 19), (4, 5, 20, 21), (13, 14, 16, 19), (14, 16, 19, 1)]\"\n\"[-0.56890779 -0.76980031 0.4498242 14.95004481 12.78981061 20.07176412\n 1.19425056 0.03242457 -2.35374793 -2.93536177 -1.81936851 1.60203921\n 2.35245335 1.01735065 -1.61447668]\",[-69.04096532],44298,286,Optimization terminated successfully.,True,405,2.677860431648267,1h1b,38.781910289643996,9.800000190734863,29,9,\"[(3, 2, 1, 0), (19, 18, 1, 0), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 16, 17), (24, 23, 20, 19), (25, 24, 23, 20)]\"\n\"[ 5.92463343e-01 1.81750083e-01 -6.81560622e-01 -1.23253128e+00\n 1.48444198e+01 -1.85014101e+01 9.50021601e-03 -1.08349145e+00\n 2.21021377e+00 2.09018732e+00 1.87719940e+00]\",[-130.89346436],48894,308,Optimization terminated successfully.,True,421,1.6976249727500432,6fut,109.42776246050565,4.699999809265137,27,5,\"[(6, 0, 17, 11), (23, 24, 3, 26), (13, 12, 11, 16), (0, 17, 11, 12), (2, 22, 14, 13)]\"\n\"[ 1.72169366 0.81002219 3.06649961 -9.29694509 19.34139006 9.13490848\n 0.04180161 -0.12047949 -0.66411621 -0.34374019 0.33555558 2.04205884\n 1.91214545 -1.79893427 1.55600985 2.52426599 -1.60453741]\",[-130.6851387],56394,345,Optimization terminated successfully.,True,463,1.5485516811167608,4ehg,111.27880421068515,7.190000057220459,29,11,\"[(3, 2, 1, 0), (11, 10, 1, 0), (4, 3, 2, 1), (6, 7, 9, 26), (7, 9, 26, 27), (12, 11, 10, 1), (12, 13, 19, 20), (13, 19, 20, 21), (19, 20, 21, 24), (20, 21, 24, 25), (9, 26, 27, 28)]\"\n\"[-1.14239319 -0.42258193 -2.59244297 38.58983817 22.37039021 35.60234404\n -1.41512277 1.15497567 2.86866532 -2.00117142 -0.24644458 2.82183829\n 1.86087755 2.05802155 -1.36634579 1.27346526 -1.01200001 2.22737179\n -0.68006836 2.68247417 -1.44860584 -1.77588656 2.53535628 0.93759707\n -0.68550786 1.68485063 1.05915849 1.29460831 -2.62846855 0.0899957 ]\",[-79.03489952],76266,500,Maximum number of iterations has been exceeded.,False,828,4.821791355707351,3kyr,72.36491454918024,6.71999979019165,52,24,\"[(9, 2, 7, 5), (7, 2, 9, 0), (1, 3, 5, 7), (1, 3, 13, 14), (3, 5, 7, 2), (4, 11, 9, 0), (3, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (14, 15, 20, 21), (15, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 30, 32), (21, 24, 25, 26), (22, 30, 32, 31), (28, 31, 32, 30), (28, 31, 33, 41), (28, 31, 40, 29), (34, 41, 33, 31), (35, 34, 41, 33), (47, 51, 40, 29), (46, 45, 42, 43), (46, 47, 51, 40)]\"\n\"[-7.01886679e-01 1.98260565e+00 -6.52997480e-01 1.26420356e+02\n 1.94122098e+02 2.83990005e+02 1.14471005e+00 -2.36643598e+00\n -1.00108188e+00 -2.32979981e+00 -2.34257455e-01]\",-44.09931589803435,48608,313,Optimization terminated successfully.,True,287,0.8260854789347579,5wei,22.183951802518056,5.699999809265137,21,5,\"[(8, 9, 0, 13), (2, 1, 4, 15), (1, 4, 15, 5), (6, 5, 15, 4), (9, 16, 11, 12)]\"\n\"[ 0.72186817 -0.87907585 1.62264529 72.88972821 -143.17942142\n 47.02902652 0.16983321 1.87297734 -2.49714518 1.81429856\n 1.44056488 0.77938786 3.01462352 -1.46211116 -0.7885812\n 0.2261562 0.57552185 -0.66858043 -1.95590573 -0.39186523\n 1.78730357 -1.94598333 1.65801466 -2.20635565]\",[-74.6927688],85043,500,Maximum number of iterations has been exceeded.,False,512,2.6502682989461186,4nnw,95.23207227751837,6.610000133514404,35,18,\"[(1, 0, 2, 3), (1, 0, 10, 11), (4, 3, 2, 0), (5, 4, 3, 2), (0, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 16), (12, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 34, 30), (19, 22, 23, 24), (32, 26, 31, 30), (27, 28, 30, 31), (28, 30, 31, 26), (28, 30, 34, 20)]\"\n\"[-2.31743253 1.3756126 -0.59784546 8.22753168 41.38464507 14.8978828\n 0.60430735 -1.19203022 0.90745297 -1.02048998 -0.09542357 0.48754003\n -0.35257756 -0.27744844 -0.18117807 -2.42106127 -0.39716637 0.43569348\n 0.13591595 0.24950798 -1.06724499 -1.17679817 -0.63163554 -1.22301307\n 1.93919557 0.54576233 -1.37027567 1.62946825 -0.57289295 -0.29592005\n -0.95570559 -3.05169545 1.99430201 -1.5480468 1.92329487 -1.31370438]\",[-83.25213483],94065,500,Maximum number of iterations has been exceeded.,False,996,5.244707497193724,1jd6,106.21364136457801,7.389999866485596,66,30,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (13, 12, 7, 6), (12, 13, 14, 15), (13, 14, 19, 20), (14, 19, 20, 21), (19, 20, 21, 22), (24, 23, 20, 19), (20, 21, 30, 31), (25, 24, 23, 20), (21, 30, 31, 32), (30, 31, 32, 33), (35, 34, 31, 30), (31, 32, 42, 43), (36, 35, 34, 31), (32, 42, 43, 44), (42, 43, 44, 45), (42, 43, 46, 47), (51, 50, 44, 43), (43, 46, 47, 48), (50, 51, 52, 53), (51, 52, 57, 58), (52, 57, 58, 59), (57, 58, 59, 60), (57, 58, 61, 62), (58, 61, 62, 63), (61, 62, 63, 64)]\"\n\"[ 2.6201766 1.45898231 1.42488153 43.30353234 0.55991399 25.76842168\n 0.30727013 -0.90913289 -2.64289996 0.71435594]\",[-71.65472902],23106,146,Optimization terminated successfully.,True,317,0.799834259057141,5u4e,49.13386498893986,6.349999904632568,21,4,\"[(0, 1, 14, 17), (2, 3, 6, 7), (9, 8, 7, 6), (10, 11, 20, 15)]\"\n\"[ 2.29789849 -2.43781109 2.98341391 5.58884002 8.02874269 25.8004397\n -1.0871582 -0.8008833 1.65808857 0.3328564 -1.68081443 0.58909051]\",-58.73332226431016,26481,167,Optimization terminated successfully.,True,402,3.127997458397363,5uff,32.31601870208068,4.239999771118164,33,6,\"[(13, 1, 0, 2), (11, 13, 1, 0), (28, 12, 11, 13), (26, 28, 12, 11), (16, 18, 20, 21), (28, 29, 31, 32)]\"\n\"[ 0.06481813 2.27610933 0.16436855 16.69388508 15.5032918 40.38294513\n 2.81658062 0.93977919 -3.07852604 -3.04035349 -2.0832372 ]\",[-127.3550142],78630,500,Maximum number of iterations has been exceeded.,False,429,0.8531169539603239,3hqz,127.61864039336206,9.380000114440918,29,5,\"[(11, 3, 6, 16), (2, 5, 16, 6), (5, 16, 6, 3), (20, 19, 18, 0), (24, 23, 20, 1)]\"\n\"[-1.82439671 1.59234563 2.24064492 17.03460986 2.06341143 61.1789884\n -0.4677359 -1.27697231 -0.47722141 -0.2115869 ]\",-87.35885700030721,30081,198,Optimization terminated successfully.,True,321,2.1455207198837267,3ws9,60.758016541531006,7.039999961853027,27,4,\"[(11, 25, 12, 5), (22, 14, 20, 21), (23, 15, 21, 20), (15, 21, 20, 14)]\"\n\"[ -1.6198648 2.43246012 -0.11172304 19.0751596 -31.54088829\n -22.31312171 -2.83064885 1.11610584 -2.12260056 -1.45869931\n -0.48509875]\",[-92.19295382],20708,127,Optimization terminated successfully.,True,367,0.8897686150198223,5gvl,78.73928719289654,7.380000114440918,32,5,\"[(2, 12, 13, 14), (17, 16, 12, 2), (25, 24, 22, 21), (25, 26, 29, 30), (26, 29, 30, 31)]\"\n\"[-2.52070124 2.70418836 -0.33467294 27.23294685 8.34850066 18.35916521\n -0.41267019 1.84039363 -1.85146419 0.84110861 -1.70157365]\",[-73.87795463],50552,319,Optimization terminated successfully.,True,326,1.8323164217678036,2pu2,56.686488711907046,4.429999828338623,26,5,\"[(4, 7, 8, 9), (1, 11, 14, 15), (11, 14, 15, 16), (19, 18, 14, 11), (20, 19, 18, 14)]\"\n\"[ -1.36470829 2.6651333 2.15436913 -19.05535223 -29.46529064\n -5.1419634 1.17391794]\",[-120.04388346],5362,28,Optimization terminated successfully.,True,251,0.03450012884913035,5oss,106.40244479808415,4.550000190734863,14,1,\"[(0, 1, 2, 11)]\"\n\"[ 2.55370036 -2.66690009 -1.24215683 -13.59776992 4.36921641\n 21.56636474 0.21217912 -1.02010616 1.38178524 0.85865218\n 0.5065704 1.98125634 -0.83114157 0.69203423 -0.18606902\n -0.38624555 2.85146731 -0.5551286 -0.72378441 1.76509857]\",[-116.7182429],82785,500,Maximum number of iterations has been exceeded.,False,701,5.938814137426483,1qbr,296.36010203440594,10.569999694824219,54,14,\"[(0, 41, 1, 7), (12, 7, 1, 41), (18, 17, 2, 41), (25, 24, 5, 4), (0, 42, 6, 31), (36, 31, 6, 42), (8, 9, 13, 50), (14, 43, 13, 9), (44, 14, 43, 13), (23, 18, 17, 2), (30, 25, 24, 5), (32, 33, 37, 45), (38, 45, 37, 33), (46, 38, 45, 37)]\"\n\"[-1.94459342 2.58930519 1.48707891 13.39111705 -1.81657523 21.04111322\n 1.94073425 -1.15235514 -1.71310373 0.80145749 2.53415766 2.94025301\n -1.57152923 3.0713364 -0.52974064 1.17296888 -1.08196308 2.53491688\n 0.52145679 -0.61555343 -0.32770432 -2.13936294 -1.73435351 1.57618136\n -0.5247828 -1.22327808 0.31339937 -0.74530392 -2.58051597 1.24409208\n 1.11691573]\",-82.34520284331579,78327,500,Maximum number of iterations has been exceeded.,False,594,5.891006937685614,3snb,82.75529064703989,4.380000114440918,45,25,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 11, 12), (4, 7, 8, 9), (5, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 17, 18), (13, 17, 18, 19), (17, 18, 19, 20), (22, 21, 18, 17), (18, 19, 28, 29), (23, 22, 21, 18), (19, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 37, 39), (29, 32, 33, 34), (38, 36, 39, 37), (30, 37, 39, 36), (36, 39, 40, 42), (39, 40, 42, 41), (43, 41, 42, 40)]\"\n\"[ 1.57882027 -0.02524473 -1.63799021 12.11964654 8.47853497 11.73853449\n 1.56044743 0.0718958 -2.67352345 0.32059872 -0.2230814 1.84478039\n -2.3860509 -1.51734212 0.06918982 -1.40866557]\",-86.2338483441074,66757,414,Optimization terminated successfully.,True,685,5.508916723824704,4l4l,85.7424474438233,8.300000190734863,43,10,\"[(1, 13, 0, 12), (0, 13, 1, 2), (15, 3, 4, 18), (3, 4, 18, 5), (19, 5, 18, 4), (6, 19, 5, 18), (7, 22, 8, 9), (24, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ 1.34870959 -2.78873942 2.34214392 12.8474712 17.03647578\n -10.33972916 0.88566179 1.89187652 2.61370419]\",[-81.22450445],11432,63,Optimization terminated successfully.,True,287,0.38220162651017103,3lxg,75.22693735886739,8.140000343322754,20,3,\"[(7, 6, 18, 19), (3, 10, 15, 16), (10, 15, 16, 17)]\"\n\"[-1.68443867 0.23599163 -0.8603967 25.53809069 0.68998786 30.05167453\n 1.50075114 -2.83829925 -0.45251042 -0.6374197 0.81955134 -1.50225184\n 0.79969294 -1.97284649 2.57064717 -0.68637533 -0.46769536]\",[-72.95499462],78759,500,Maximum number of iterations has been exceeded.,False,324,2.347122660400408,6exs,40.93900917041889,3.440000057220459,19,11,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 7, 8), (5, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (10, 11, 13, 14), (10, 11, 16, 17), (11, 13, 14, 15), (11, 16, 17, 18)]\"\n\"[ 0.73801506 2.09054231 -1.45668823 48.02069833 18.31610569 19.73109104\n 1.25895749 -0.15266799 -1.62270431 -1.18361937 0.63336893 0.7617293\n -2.80490981 2.71784333 -1.89486493]\",[-155.33445083],76814,500,Maximum number of iterations has been exceeded.,False,507,3.425315749731674,4app,176.67831754053108,7.190000057220459,42,9,\"[(8, 40, 0, 1), (7, 6, 38, 37), (0, 40, 8, 7), (19, 36, 12, 13), (26, 33, 18, 19), (12, 36, 19, 18), (18, 33, 26, 25), (29, 30, 37, 38), (6, 38, 37, 30)]\"\n\"[-0.37704062 -2.47522822 2.02197489 26.58156786 48.24229593 0.11149391\n 0.32469652 2.70273601]\",-140.44928872237256,12957,83,Optimization terminated successfully.,True,234,0.03456909667084897,4tjy,129.02625305207584,6.440000057220459,18,2,\"[(0, 1, 4, 13), (7, 5, 3, 11)]\"\n\"[ 2.56651916 -1.16965738 -1.70676671 15.99743337 5.89260703 11.06401162\n -2.88307774 0.72081173 0.79535653 -2.00285038 2.89991105]\",[-105.45570863],36790,234,Optimization terminated successfully.,True,503,2.457245707513179,3ty0,53.699415523841616,7.079999923706055,36,5,\"[(19, 22, 12, 4), (29, 25, 13, 5), (8, 17, 35, 24), (14, 28, 18, 11), (15, 29, 25, 13)]\"\n\"[ -0.5851529 0.30522172 0.08490295 -7.04905688 -29.95002295\n 23.44986989 -2.222814 2.51604254 1.51512098 1.20759217]\",[-255.54848247],19740,124,Optimization terminated successfully.,True,485,1.4199801499101814,2wxh,242.35626050401277,8.050000190734863,38,4,\"[(8, 7, 6, 1), (20, 19, 18, 7), (21, 20, 19, 18), (31, 30, 29, 21)]\"\n\"[ -1.30010422 2.18339053 1.85382894 -7.90554096 -29.39984712\n 7.88006319 2.95906071 -1.05948047 -1.5181129 -0.90603866\n 2.59930216]\",[-135.50409155],44772,281,Optimization terminated successfully.,True,422,0.4536204981932549,4jai,103.02048134617434,8.399999618530273,31,5,\"[(16, 15, 14, 8), (17, 16, 15, 14), (18, 21, 22, 23), (21, 22, 23, 24), (26, 25, 23, 22)]\"\n[-1.08969161 -0.11923812 -1.22796006 15.60629805 1.91287064 15.48055222],[-68.51429908],8940,53,Optimization terminated successfully.,True,149,2.8247655094811838e-05,4q99,50.044014602633844,6.28000020980835,9,0,[]\n\"[ 2.16679082 -1.39765716 2.125118 -66.15438482 2.85529872\n -5.75074482 -0.85892804 -0.60299488 0.5048172 2.92837238\n -2.17968369]\",[-54.48097011],47754,302,Optimization terminated successfully.,True,396,1.5749180432254566,4o9s,40.558568487047765,6.550000190734863,31,5,\"[(5, 4, 1, 0), (4, 9, 10, 11), (9, 10, 11, 12), (14, 13, 11, 10), (20, 19, 18, 15)]\"\n\"[ 1.34743836 0.49963318 -1.99313597 -28.34999852 33.32252907\n 28.85862529 -0.3617068 1.01071616 -0.58844514 0.12765024]\",[-66.8591179],14707,87,Optimization terminated successfully.,True,199,1.5687384158364222,4lno,48.43660646783264,2.619999885559082,10,4,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[ 0.45214583 -0.72299836 3.04202516 32.33399175 -22.03756201\n 16.4780537 -2.36323023 0.6929983 2.37066887 -0.54646266\n 1.85374487 -1.21258981]\",[-43.18071747],36686,231,Optimization terminated successfully.,True,315,1.317153760575044,3gpe,25.92156757911557,5.739999771118164,24,6,\"[(6, 5, 1, 0), (7, 6, 5, 1), (10, 12, 13, 14), (12, 13, 14, 15), (7, 18, 19, 20), (18, 19, 20, 21)]\"\n\"[ 1.46360065 -2.69707206 -0.07610168 -16.70874498 -9.17326318\n 10.60589147 2.67881314]\",[-63.13053162],14302,86,Optimization terminated successfully.,True,187,0.8978643868086229,5ald,55.6764220225608,5.96999979019165,16,1,\"[(7, 6, 5, 0)]\"\n\"[ -2.16399986 3.09556723 -2.91294531 -16.24819755 -10.61974365\n 69.84807866 -0.68844511 -0.17929221 -0.53592927]\",[-48.53285996],22479,142,Optimization terminated successfully.,True,178,1.4698106268928082,4y2v,30.87172117807887,4.039999961853027,13,3,\"[(4, 6, 2, 1), (9, 7, 3, 10), (0, 9, 7, 3)]\"\n\"[ 2.51722132 -0.42512828 -1.6763863 32.86640667 66.28420379 44.70024686\n 2.0043356 -2.01516638 -0.16163293 1.67961918 2.82713293 1.31458468\n 1.22129847 0.36699776]\",[-77.47086431],71695,459,Optimization terminated successfully.,True,435,2.094727290528323,1s26,64.76601411107114,3.069999933242798,31,8,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 11, 8), (9, 8, 11, 4), (9, 8, 12, 13), (14, 13, 12, 8), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n\"[-2.96610543 1.57637666 0.55246797 19.47377714 15.16583027 11.92579334\n 2.88250049 2.84777707 -2.19783833 -1.57352181 0.66016473 -1.17926159]\",[-128.41854866],23179,142,Optimization terminated successfully.,True,428,1.5596119443302818,6df4,131.5713541083603,7.639999866485596,28,6,\"[(13, 0, 8, 14), (1, 13, 0, 8), (22, 16, 3, 2), (0, 8, 14, 12), (9, 17, 25, 15), (10, 21, 25, 15)]\"\n\"[ -0.81701738 2.44758621 -0.89064411 -12.65961805 -17.38405252\n 6.8735211 1.20826528 0.05521072 0.78721745 -2.2898649\n -1.05953827 -1.50151785 -0.85019097 1.73717578 2.4929815\n 0.77001283 0.58296912 -2.23489201 1.09018795 -0.9360133\n -1.3775313 -2.766615 -0.80027519 -1.29011711 -1.10907557\n -0.83536702 1.21134025 0.75284571 1.64122026 1.73142729\n -0.9547714 -1.01574565 0.83072152 0.70021421 -0.58023897\n 2.08137602 0.57555496 1.30751161 1.60213828 1.44229942\n 0.23594569 0.54138123 -2.00749019 -0.16719263 0.60806022\n -1.85391623 -0.58891561 -0.24299083 -1.31176284 2.69671814\n 0.1567887 -0.70144705 2.97912625 0.89433042 -0.28861676\n 1.68327845 -2.44374137 0.24419934 1.92965573 -2.59336233]\",[-65.34960852],94938,500,Maximum number of iterations has been exceeded.,False,1043,7.5103063036007764,5mlw,44.0422120706361,5.03000020980835,89,54,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (4, 5, 8, 9), (5, 6, 10, 11), (6, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 16), (12, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 26, 27), (19, 22, 23, 25), (20, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 33, 34), (28, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 44, 45), (34, 37, 38, 39), (37, 38, 39, 40), (38, 39, 40, 41), (35, 44, 45, 46), (44, 45, 46, 47), (49, 48, 45, 44), (45, 46, 55, 56), (50, 49, 48, 45), (46, 55, 56, 57), (55, 56, 57, 58), (55, 56, 59, 60), (56, 57, 63, 64), (56, 59, 60, 61), (57, 63, 64, 65), (63, 64, 65, 66), (63, 64, 67, 68), (64, 65, 70, 71), (65, 70, 71, 72), (70, 71, 72, 73), (70, 71, 74, 75), (71, 72, 79, 80), (71, 74, 75, 76), (74, 75, 76, 77), (75, 76, 77, 78), (72, 79, 80, 81), (79, 80, 81, 82), (79, 80, 83, 84), (80, 83, 84, 85), (83, 84, 85, 86), (84, 85, 86, 87)]\"\n\"[ -1.54411878 -2.4101901 -1.28417338 19.92878854 -15.94900472\n 13.9307256 2.88072142 -2.43214403 2.64157728 -1.20646865]\",[-204.32554614],28370,183,Optimization terminated successfully.,True,350,0.9422794266674261,1o5g,211.67228822527474,4.960000038146973,28,4,\"[(1, 0, 7, 8), (14, 13, 12, 10), (26, 20, 17, 16), (21, 26, 20, 17)]\"\n\"[ 1.08712661 -1.53790853 -1.70763459 -13.59311915 3.25173227\n -18.01269495 -1.69898311 -0.94741018 -0.02782463 1.68373677\n 0.21512742 -1.63806783]\",[-106.66341484],78988,500,Maximum number of iterations has been exceeded.,False,372,1.6023248671647106,3vw1,111.65540528369162,4.670000076293945,28,6,\"[(2, 1, 0, 7), (8, 7, 0, 1), (14, 13, 0, 1), (3, 4, 25, 19), (9, 10, 26, 21), (15, 16, 27, 23)]\"\n\"[-2.27361759 -2.62477083 -0.14977933 82.12809842 14.06030524 94.96701107\n -1.17506845 -2.54792922 -0.69491474]\",[-66.46745531],15205,94,Optimization terminated successfully.,True,377,2.6375384889594113,5yg4,62.59997529581409,7.369999885559082,34,3,\"[(18, 17, 15, 14), (19, 18, 17, 15), (13, 24, 23, 20)]\"\n\"[ 1.90731512e-02 -2.38278728e+00 -9.31780709e-01 -5.37278165e+01\n 5.21901972e-01 -2.41045102e+01 2.14269724e+00 2.61704387e-01\n 2.86495162e+00 -1.53220207e+00 1.31543517e+00 9.95996689e-01]\",[-203.2144264],27482,166,Optimization terminated successfully.,True,426,1.0615153666166655,5hcx,194.3482497793804,8.390000343322754,31,6,\"[(5, 12, 2, 6), (14, 13, 3, 4), (15, 14, 13, 3), (21, 20, 18, 17), (22, 23, 25, 26), (29, 28, 25, 23)]\"\n\"[ -2.78063483 -1.55444133 -1.08508505 -1.15364303 139.04082617\n 20.59934141 1.04716267 2.90906669]\",-189.69794560718003,19949,129,Optimization terminated successfully.,True,296,1.5724548151336204,2esm,154.1206033381489,6.28000020980835,20,2,\"[(4, 3, 1, 0), (11, 10, 1, 0)]\"\n\"[ 2.33924685e+00 -2.96061015e-03 1.15183203e-01 2.24139130e+01\n 9.14572711e+00 1.98327240e+01 -3.11822796e+00 -1.16042978e+00\n -3.03590868e+00 2.99262010e+00]\",-101.18948573994479,27531,181,Optimization terminated successfully.,True,448,2.007004272724266,5hdu,113.22208155683069,9.0,34,4,\"[(13, 12, 0, 1), (6, 3, 2, 1), (22, 23, 7, 30), (10, 8, 33, 9)]\"\n\"[ 1.80548454 2.24812238 2.93584933 63.95131988 23.36486331\n 160.06066935 2.45856871 1.69112021 2.37679978 0.95314961\n 2.98431541 -1.19279456 -2.77068825 -1.54510301 -1.22838609\n -1.72488307 2.60770448 0.31399224 -0.291788 -1.89166215\n -1.22263676 -0.93380314]\",[-109.97374069],78948,500,Maximum number of iterations has been exceeded.,False,636,3.489014665273291,4u0m,106.86399750599855,5.769999980926514,42,16,\"[(0, 1, 3, 4), (1, 3, 4, 5), (1, 3, 8, 9), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 31, 32), (3, 8, 9, 10), (12, 11, 9, 8), (13, 14, 17, 18), (19, 18, 17, 14), (20, 19, 18, 17), (6, 31, 32, 33), (31, 32, 33, 34), (31, 32, 36, 37), (32, 36, 37, 38), (36, 37, 38, 39)]\"\n\"[ -0.3176185 -1.84192768 0.67885101 23.8055138 46.09825507\n -30.81319577 -0.76939557 -0.47895505 2.88829549 2.0700415\n -2.88052491 3.12404553 -2.35640088]\",[-79.27582754],48780,302,Optimization terminated successfully.,True,388,2.39923765800947,4nat,69.52175321413262,6.480000019073486,28,7,\"[(14, 1, 13, 0), (5, 4, 3, 17), (4, 19, 9, 20), (19, 9, 21, 10), (22, 10, 21, 9), (11, 22, 10, 21), (14, 15, 16, 2)]\"\n\"[ 0.09233541 -0.42245155 1.6659096 7.9544922 -9.20256918 9.3725458\n -1.24077422 -2.71498531 -2.82423033 0.95752404 -2.60953778 2.52525432\n -2.03221351 2.59472685 2.40496325 1.93156685 1.04198195 2.61918649\n -1.90327502 -1.24879877 -1.1421669 -3.11380099 0.74633365 -1.83339835\n 2.84322677 1.7234693 1.09059058 -0.32187171 -2.47230819 -1.59857214\n -2.74426169]\",[-77.28307571],79735,500,Maximum number of iterations has been exceeded.,False,624,5.6507525365568085,1hiv,184.06662409201834,9.0,59,25,\"[(12, 0, 1, 13), (12, 0, 14, 15), (2, 13, 1, 0), (11, 2, 13, 1), (0, 14, 15, 16), (18, 15, 16, 17), (19, 18, 15, 16), (15, 16, 24, 25), (21, 19, 18, 15), (16, 24, 25, 33), (24, 25, 33, 35), (27, 26, 25, 24), (29, 27, 26, 25), (25, 33, 35, 40), (33, 35, 36, 41), (35, 36, 41, 42), (35, 36, 37, 39), (36, 41, 43, 44), (41, 43, 44, 45), (47, 44, 45, 46), (45, 44, 47, 48), (44, 45, 51, 52), (44, 47, 48, 50), (53, 52, 51, 45), (58, 53, 52, 51)]\"\n\"[ 2.15041437e+00 1.01752541e+00 7.92089767e-01 -4.37890759e+00\n 3.65044981e+01 8.01467753e+01 -3.03618652e+00 -1.15649172e-01\n -8.34583484e-01 3.07466859e-01 7.72510690e-02 -6.40389856e-01]\",[-86.4482525],33202,207,Optimization terminated successfully.,True,383,3.3799035053811743,4kiu,71.89631635058645,3.8499999046325684,23,6,\"[(4, 3, 1, 0), (5, 6, 7, 8), (4, 11, 12, 13), (14, 13, 12, 11), (15, 14, 13, 12), (15, 19, 20, 21)]\"\n\"[-0.60125507 1.43152898 -0.20286731 19.00836213 17.35938501 5.97986192\n 0.06021841 1.62853985 -0.91339489 -2.87504843 0.71847162 0.36461397\n 2.86616474 -2.76824992 -0.41846349 -1.97939394 0.62492448 -3.08892144\n 0.60976419 0.60360157 -0.7013412 0.93683909 -0.77467089 -0.23801284\n 2.28599662 -0.69423022 2.92677534 -1.58569903 2.87273461 2.83808694\n 1.08573418 -1.10359971 -3.13710499 -1.81247975 -0.35431888 0.27194918\n 1.27428058 0.4829265 1.31677208 1.13365958 -0.77028345 0.24819802\n -0.88649471 -0.4069591 1.41149597 -0.49361436 0.62709947 2.45568304\n -2.62681086 1.51380608 -0.0810605 -1.39512116]\",[-92.95302027],80223,500,Maximum number of iterations has been exceeded.,False,848,7.419839260424858,1lb6,95.65624534927882,4.079999923706055,80,46,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 18, 19), (10, 13, 14, 15), (13, 14, 15, 16), (11, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (28, 27, 20, 19), (19, 22, 23, 24), (22, 23, 24, 25), (27, 28, 29, 30), (28, 29, 34, 35), (29, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 43, 44), (35, 38, 39, 40), (38, 39, 40, 41), (36, 43, 44, 45), (43, 44, 45, 46), (43, 44, 47, 48), (44, 45, 52, 53), (44, 47, 48, 49), (47, 48, 49, 50), (45, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 54, 60, 61), (53, 56, 57, 59), (54, 60, 61, 62), (60, 61, 62, 63), (60, 61, 64, 65), (61, 62, 68, 69), (61, 64, 65, 66), (62, 68, 69, 70), (68, 69, 70, 71), (73, 72, 69, 68), (74, 73, 72, 69)]\"\n\"[-1.38865206 1.69266498 -0.08819249 17.80629311 9.12302988 12.64569475\n -0.72174808 0.84789939 1.7317786 ]\",[-54.50100516],22097,138,Optimization terminated successfully.,True,305,1.4456944186675196,5alk,26.487138003175676,6.599999904632568,20,3,\"[(2, 3, 12, 14), (3, 12, 14, 13), (11, 13, 14, 12)]\"\n\"[ 1.88737317e+00 -2.35042230e+00 2.21716105e-01 3.88064003e+01\n 3.73217307e+01 8.95754743e+00 3.32236610e-01 -1.35971954e+00\n -2.70727896e+00 2.60596717e+00 -2.30368535e+00 1.95567443e+00\n -2.97680620e-01 -1.51765523e-01 1.88832082e+00 -8.26875749e-03\n 2.84224521e+00 -2.56184079e+00 -1.47772524e-02]\",[-124.92453067],78592,500,Maximum number of iterations has been exceeded.,False,626,4.283118862956935,2p8h,232.9580244211087,7.150000095367432,46,13,\"[(0, 1, 6, 7), (1, 6, 7, 8), (9, 8, 7, 6), (10, 9, 8, 7), (10, 11, 19, 23), (12, 13, 15, 16), (13, 15, 16, 17), (11, 19, 25, 26), (19, 25, 26, 27), (28, 27, 26, 25), (25, 26, 34, 35), (29, 28, 27, 26), (38, 39, 34, 26)]\"\n\"[ 1.77155847e-02 9.62158336e-01 -2.60661793e+00 2.44402150e+01\n 1.36479489e+01 3.08727525e+01 1.99402947e-01 -6.85043480e-01\n -1.03043629e+00 2.71182087e-01 1.09713617e+00 2.80518638e+00\n 8.40473911e-01 -2.89391453e+00 -2.17875230e+00 6.48868190e-01\n -7.53841723e-01 -3.81839424e-01 4.13850766e-01 -8.42735337e-02\n -1.03852308e+00 2.02709983e+00 7.43382326e-01 -1.62499094e+00\n -1.87005756e+00 3.66390562e-01]\",[-74.25926318],78966,500,Maximum number of iterations has been exceeded.,False,582,4.73367606001986,1ppm,127.72119602273074,5.800000190734863,42,20,\"[(1, 0, 2, 3), (1, 0, 10, 11), (4, 3, 2, 0), (5, 4, 3, 2), (0, 10, 11, 14), (10, 11, 12, 13), (11, 12, 15, 16), (12, 15, 16, 19), (15, 16, 17, 18), (16, 17, 25, 20), (25, 20, 21, 22), (21, 20, 25, 17), (21, 20, 26, 27), (20, 21, 22, 23), (20, 26, 39, 29), (31, 30, 29, 37), (30, 29, 37, 40), (30, 29, 39, 26), (32, 31, 30, 29), (29, 37, 40, 38)]\"\n\"[ 3.11665838 -0.93358188 -1.27757034 12.17903488 -4.49766398 0.90113456\n 0.90599231 1.73218281 0.5155164 -0.22436911 -1.03303752 1.53900473\n 1.63291254 -1.95023557 -0.1774579 -1.52911135 -1.68998745 -1.01671983\n -2.00679238 -0.54091413 -0.79158744 -0.52597894 -2.08582477 1.81865825\n -0.46266602 0.71644944 1.94605527 -0.54037167 -2.52302027 -0.693932\n -1.03289883 -0.62957015 1.99911733 0.99503271 -0.27738197 -1.08314082\n 1.97002548 2.76388248 -1.15506349 -0.9358773 -1.01475123 -2.07981088\n -0.14365032 2.54563307 -0.27434229 -0.58591834 -2.84638494 2.08462584\n 0.16789667 -0.68729208 -0.54284248 -0.48072259 -0.61174979 -1.36632759\n 0.17552164]\",-76.79330613303343,83841,500,Maximum number of iterations has been exceeded.,False,1106,7.130047752829641,4bd3,66.51343014743635,4.539999961853027,89,49,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 12, 13), (7, 12, 13, 14), (12, 13, 14, 15), (13, 14, 16, 17), (14, 16, 17, 18), (16, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 27, 28), (22, 27, 28, 29), (27, 28, 29, 30), (27, 28, 34, 35), (28, 29, 30, 31), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 36), (28, 34, 39, 40), (34, 39, 40, 41), (39, 40, 41, 42), (39, 40, 43, 44), (49, 48, 41, 40), (40, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47), (48, 49, 50, 51), (49, 50, 55, 56), (50, 55, 56, 57), (55, 56, 57, 58), (60, 59, 56, 55), (56, 57, 65, 66), (61, 60, 59, 56), (57, 65, 66, 67), (65, 66, 67, 68), (65, 66, 69, 70), (66, 67, 76, 77), (66, 69, 70, 71), (69, 70, 71, 72), (70, 71, 72, 73), (67, 76, 77, 78), (76, 77, 78, 79), (81, 80, 77, 76), (82, 81, 80, 77)]\"\n\"[ 2.75678386 -2.0754211 2.99286337 -13.49099124 -17.62216047\n -12.34152914 -2.59540892 -0.54463244 0.71436185 -3.10942668\n 1.89588004 2.0148531 1.4480619 -1.21981492]\",[-56.19923394],50153,316,Optimization terminated successfully.,True,427,4.819404157651905,3qqa,24.826442794617805,5.820000171661377,35,8,\"[(15, 19, 22, 23), (19, 22, 24, 25), (22, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 29), (26, 27, 29, 30), (27, 29, 30, 31), (29, 30, 31, 32)]\"\n\"[-1.81381782e+00 2.92009818e+00 2.58113186e+00 2.83825488e+01\n 9.65316642e+00 3.51424797e+01 -6.59005491e-01 2.69463784e+00\n 7.74731380e-01 2.45332241e+00 -1.22631442e+00 -2.16460850e+00\n 2.96982122e+00 -1.58479492e+00 -3.29737338e-02 -1.29691398e+00\n 3.55703763e-01 1.97390793e+00 -2.56109449e+00 2.05499774e+00\n -1.39181803e+00 -1.71520806e+00]\",[-109.49396376],78649,500,Maximum number of iterations has been exceeded.,False,641,3.498087790290853,2viz,267.8654362145903,6.21999979019165,42,16,\"[(37, 36, 0, 1), (1, 2, 6, 7), (3, 4, 32, 33), (2, 6, 7, 9), (6, 7, 9, 10), (13, 10, 9, 7), (7, 9, 11, 12), (27, 13, 10, 9), (9, 11, 14, 15), (11, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (20, 18, 17, 16), (22, 20, 18, 17), (4, 32, 33, 34), (32, 33, 34, 35)]\"\n\"[ 1.70608798e+00 8.98439619e-01 -2.15736031e+00 1.72746207e+01\n -2.69437219e+00 1.46737969e+01 1.77908540e-01 -2.46856687e+00\n 1.63281375e+00 -1.11759438e+00 6.33956650e-01 1.02323179e+00\n 1.85573636e+00 -1.87423807e-01 2.61957023e+00 -9.72033534e-01\n 1.10861545e+00 -9.23529654e-01 -1.04671071e+00 1.34711971e+00\n -2.03946766e+00 -2.24380395e+00 -5.23339553e-01 1.32425588e+00\n -1.14551980e+00 2.63059566e+00 3.26996418e-01 2.70684036e-01\n 1.03524968e-02 -8.01262620e-01 -1.06438731e-01 -1.17590175e+00\n -2.52909950e+00 -3.43822819e-01 2.83040600e+00 -1.43552730e-01\n -2.16835455e+00 1.48474198e+00 -1.73617724e+00 -5.76696179e-01\n -2.44252681e-01 2.30726923e+00 -4.56314883e-01 -2.65411755e+00\n 3.85310578e-01 -1.11173555e-01 -5.06460818e-01 -1.74877469e+00\n -2.31444963e+00 -3.33532096e-01 2.50923884e+00 -5.20705030e-02\n -2.88669746e+00 2.52534280e+00 -1.16844256e+00 -2.97207889e+00\n -8.12321999e-01 2.10144649e+00]\",[-77.6466527],90360,500,Maximum number of iterations has been exceeded.,False,957,5.739834853221309,6ct7,83.6720216277195,7.0,82,52,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 11, 12), (4, 7, 8, 9), (7, 8, 9, 10), (5, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 19, 20), (12, 15, 16, 17), (13, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 26, 27), (21, 26, 27, 28), (26, 27, 28, 29), (31, 30, 27, 26), (27, 28, 37, 38), (32, 31, 30, 27), (28, 37, 38, 39), (37, 38, 39, 40), (37, 38, 41, 42), (38, 39, 45, 46), (38, 41, 42, 43), (41, 42, 43, 44), (39, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50), (46, 47, 54, 55), (46, 49, 50, 51), (49, 50, 51, 52), (50, 51, 52, 53), (47, 54, 55, 56), (54, 55, 56, 57), (55, 56, 58, 59), (56, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 60, 66, 67), (59, 62, 63, 64), (60, 66, 67, 68), (66, 67, 68, 69), (66, 67, 70, 71), (67, 68, 72, 73), (68, 72, 73, 74), (72, 73, 74, 75), (72, 73, 76, 77), (73, 76, 77, 78), (76, 77, 78, 79), (77, 78, 79, 80)]\"\n\"[-2.0356435 3.06486803 0.81742525 3.44576205 7.7258772 17.37440788\n -2.21694072 -0.66300327 -0.27925981 0.26796615 1.23001604 -1.75948106\n -2.20686229 -0.50864863 -0.29633264 0.84566821]\",-76.34453494328326,74437,462,Optimization terminated successfully.,True,424,2.2148470930445594,1hvy,65.91518595299668,6.539999961853027,32,10,\"[(7, 8, 12, 13), (16, 13, 12, 8), (15, 16, 13, 12), (15, 14, 19, 20), (14, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (21, 22, 28, 29), (22, 23, 24, 25), (23, 24, 25, 26)]\"\n\"[-0.83115541 -1.9307172 -0.21483419 8.49903685 29.59381476 7.50034155\n 0.16831591 0.7645098 0.9118549 -2.56961282 -0.64121273 -0.88315142\n -2.06944946 0.28990521 -0.99611667 -0.50707958 -1.9774538 -2.55750396\n -1.04653367 -2.45474026 1.86424677 0.10644427 -2.60723938 -1.61721356\n 0.16887183 1.3976857 -1.84137895 1.36512486 0.38489196 -1.58024214\n 1.40557851 -0.05839183 1.77126361 0.30769223 -2.61694366 -2.37869485]\",[-90.01364718],94916,500,Maximum number of iterations has been exceeded.,False,635,5.648585770681541,1rzx,78.8082010735742,4.099999904632568,50,30,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 10, 11), (5, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 19, 20), (11, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (12, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 28, 29), (20, 23, 24, 25), (23, 24, 25, 26), (21, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 34, 35), (30, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 42, 43), (35, 38, 39, 40), (36, 42, 43, 44), (42, 43, 44, 45), (42, 43, 46, 47)]\"\n\"[ 1.36028201e+00 -2.38706463e+00 -3.46821997e-02 -1.30642116e+01\n 2.81495673e+01 4.39147266e+01 2.54877119e+00]\",[-88.46668237],9064,55,Optimization terminated successfully.,True,145,0.6388310633331027,2bza,80.58541404641602,2.799999952316284,8,1,\"[(7, 2, 1, 0)]\"\n\"[ 1.19439557e+00 2.43543451e+00 -8.16266964e-01 1.14459289e+01\n 1.84134928e+01 1.91543156e+01 -1.54773750e+00 1.24063652e+00\n -2.84250378e+00 3.91871574e-02 -3.46245848e-01 -2.78351571e+00\n 1.15760758e+00 -9.05527260e-01 2.71509427e+00 -1.04278066e-02\n 1.67650292e+00 2.21007063e+00 -2.03992276e+00]\",[-155.28355765],80412,500,Maximum number of iterations has been exceeded.,False,449,4.434979956870046,6dj7,220.45132793194543,8.720000267028809,40,13,\"[(3, 4, 7, 8), (4, 7, 10, 11), (7, 10, 11, 12), (7, 10, 15, 16), (10, 11, 12, 13), (10, 15, 16, 17), (15, 16, 18, 19), (16, 18, 19, 20), (37, 31, 18, 16), (18, 19, 20, 21), (23, 22, 20, 19), (24, 23, 22, 20), (32, 37, 31, 18)]\"\n\"[-1.02586911 1.05642628 -1.96640529 18.64796224 41.5011343 7.58974618\n -2.74103148 3.04246959 0.47775476 2.02707883]\",[-72.30478749],25477,161,Optimization terminated successfully.,True,353,2.200595293281708,5f74,42.52602701357996,5.119999885559082,23,4,\"[(1, 0, 4, 5), (6, 5, 4, 0), (7, 6, 5, 4), (14, 13, 12, 7)]\"\n\"[-0.1390032 -0.50707925 -1.89770088 -2.17708683 2.88916904 85.96560184\n 1.49740856]\",[-117.30537978],9112,55,Optimization terminated successfully.,True,165,1.0462916541790066,4yxi,106.7740726462406,6.5,11,1,\"[(8, 2, 5, 4)]\"\n\"[ -1.7460296 -1.71224905 -1.35246163 6.76122968 -18.48017564\n 16.32899234 2.30339019 -3.0647859 0.94121711 2.92259559]\",[-136.07710031],30166,196,Optimization terminated successfully.,True,314,1.2150358823945393,6f1x,140.6047706307048,7.699999809265137,21,4,\"[(8, 7, 1, 0), (4, 3, 19, 16), (13, 14, 16, 17), (14, 16, 19, 3)]\"\n\"[ 2.52157184e-01 4.07690851e-01 6.12524932e-01 5.36403321e+01\n -2.05631399e+00 4.60847865e+01 -3.33394414e-02 2.90340992e+00\n 7.46630537e-01 1.29307112e+00 -9.06969371e-01 -9.28779437e-01\n 2.21630426e+00 6.45286866e-01 8.47611150e-01 -7.47744436e-01\n 2.46168307e+00 6.39436974e-02 6.45754549e-02 1.54974337e+00\n 5.64092712e-01 6.33226356e-01 6.94972329e-01 1.29648715e+00\n 2.23371145e+00 -1.09137995e+00 1.38542201e+00 -2.99198492e-01\n 2.46246518e+00 -1.15792183e+00]\",[-72.38220323],77692,500,Maximum number of iterations has been exceeded.,False,546,6.491735058870684,3rl8,58.05233644494221,5.980000019073486,48,24,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 12, 13), (6, 5, 4, 1), (2, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (13, 14, 20, 21), (13, 16, 17, 18), (14, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 27, 28), (22, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 34, 35), (29, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 40, 41), (36, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45)]\"\n\"[ 2.35767901 -0.9112394 -0.5710303 13.66698651 -7.60895789 16.90416278\n 1.31352296 -0.96420462 -0.50274852]\",[-98.55478695],20052,123,Optimization terminated successfully.,True,274,1.4009809640347197,3ine,86.78431165744269,6.769999980926514,27,3,\"[(3, 11, 2, 12), (4, 13, 8, 6), (18, 17, 13, 4)]\"\n\"[ 3.93214979e-01 1.42242573e+00 5.68272567e-01 5.92977335e+01\n -7.80591661e+01 3.20386962e+01 2.66940845e+00 -1.03950912e+00\n 2.25874127e+00 2.05252175e-01 1.21929130e+00 9.03995819e-01\n -2.32155068e-03 2.75179015e+00 -7.85161400e-01 8.80862392e-01\n -5.74247593e-01 -2.10264255e-01]\",[-120.83734416],84164,500,Maximum number of iterations has been exceeded.,False,393,2.9759606205024407,3e9i,157.39503141168942,6.21999979019165,33,12,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 7, 8), (5, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (10, 11, 14, 15), (16, 15, 14, 11), (17, 16, 15, 14), (24, 23, 22, 17)]\"\n\"[-0.50134536 -2.63543157 2.07023631 16.47343464 31.78184278 19.21687923\n -0.48714596]\",[-109.07478868],7696,43,Optimization terminated successfully.,True,234,0.062472954863725165,5y86,92.04056463703758,6.099999904632568,16,1,\"[(9, 13, 14, 15)]\"\n\"[-2.1178259 -1.30831083 2.69208271 15.09786994 22.94437037 60.30878605\n -2.51435878 2.14692335 -1.56513604 0.94650617 2.49480327 1.72207508\n 2.45912207 -0.12004477 -1.90194949 -2.19754823 2.17524878]\",[-89.83860874],77823,500,Maximum number of iterations has been exceeded.,False,334,2.5280799318951934,1a0q,72.54622186420858,7.570000171661377,23,11,\"[(24, 3, 25, 18), (25, 3, 24, 14), (25, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (12, 13, 20, 25), (21, 14, 24, 3), (24, 14, 16, 15), (17, 15, 16, 14), (16, 15, 17, 22), (13, 20, 25, 3)]\"\n\"[ 0.23653556 0.595212 -1.5817859 46.89781411 96.89087838 22.70837487\n 0.90709439 -2.95270111 -0.51261862 1.08408929 -2.8800922 ]\",[-91.30607247],20476,129,Optimization terminated successfully.,True,797,3.85891824168844,1i6v,71.11039908325188,5.0,59,5,\"[(1, 2, 42, 44), (23, 24, 53, 34), (25, 26, 52, 36), (24, 53, 34, 35), (39, 45, 44, 42)]\"\n\"[-2.14106171e+00 -6.08463730e-01 -1.55538755e+00 -4.58209964e+01\n 7.03975769e+01 -1.48786430e+01 1.64493519e+00 -9.60872544e-01\n -3.23843494e-02 8.98718794e-01]\",[-82.79340502],15500,95,Optimization terminated successfully.,True,339,2.6804351809725246,4ad3,43.075545135688,4.619999885559082,22,4,\"[(13, 14, 0, 1), (3, 4, 5, 10), (0, 14, 13, 11), (11, 19, 20, 21)]\"\n\"[ -2.21897564 0.65644194 2.8971948 6.44042982 -11.25919974\n 35.39610512 1.0971507 0.36749113 1.82804625]\",-157.54624020297314,14439,92,Optimization terminated successfully.,True,296,0.5090791664453731,3f88,137.7084835503611,8.640000343322754,23,3,\"[(5, 19, 2, 1), (12, 14, 7, 15), (0, 20, 21, 22)]\"\n\"[ -2.40486488 -1.08789879 -0.74047856 -0.5291204 -15.39954586\n -1.42900338 -1.01933146 0.04053394 2.74733527 -1.57213642\n -2.08228204]\",[-211.39313226],15574,96,Optimization terminated successfully.,True,255,1.341171049576483,4hvd,188.16345489041598,8.850000381469727,21,5,\"[(10, 9, 2, 1), (5, 6, 12, 13), (6, 12, 13, 15), (12, 13, 15, 16), (13, 15, 16, 17)]\"\n\"[-1.66881801 2.72650779 0.3461925 -0.5627301 27.55156791 24.95041203\n 2.19065442]\",[-108.6696899],7618,44,Optimization terminated successfully.,True,176,1.3282933302618307,2zxd,83.59980341777235,5.21999979019165,12,1,\"[(4, 3, 1, 0)]\"\n\"[-0.70611915 2.00345972 -2.3916375 -1.3650902 6.06161335 52.10333368\n -2.5291154 -0.18768432 -2.16252609 1.95659577 3.10746603 -2.9548172\n -0.21081991 -0.07178106]\",[-202.55948033],78309,500,Maximum number of iterations has been exceeded.,False,440,1.4646419422515082,3ctj,176.9278349252136,7.460000038146973,31,8,\"[(3, 6, 7, 8), (6, 7, 8, 9), (7, 8, 10, 11), (8, 10, 11, 12), (14, 13, 11, 10), (15, 14, 13, 11), (22, 21, 20, 16), (23, 22, 21, 20)]\"\n\"[ 0.59877608 -3.04341854 2.38767488 84.42194715 -14.08916098\n 65.72780227 1.91803052 0.15629538 2.98784561 0.17026492]\",[-77.76629629],13163,77,Optimization terminated successfully.,True,208,1.267321716777796,1ik4,68.37755956939093,7.409999847412109,10,4,\"[(4, 0, 2, 3), (4, 0, 1, 5), (0, 1, 5, 9), (1, 5, 9, 6)]\"\n\"[-0.54673404 1.33603298 0.09226576 -1.05005335 -1.89472128 37.5249182\n 1.53697894 -0.9666025 0.62660457 1.38582952]\",[-64.83003009],15086,94,Optimization terminated successfully.,True,196,0.5638574920845814,2y55,50.541003861184436,3.869999885559082,12,4,\"[(0, 1, 2, 3), (6, 5, 1, 0), (1, 2, 3, 4), (7, 6, 5, 1)]\"\n\"[ 0.62923978 0.9691031 1.96428972 32.53255444 1.46784076 44.99253804\n -2.51467213 0.14041497 0.19146067 -0.50163681 -2.89372309 -0.43707045\n -0.57928743 1.54303378]\",[-106.25405701],35637,227,Optimization terminated successfully.,True,745,2.966889867941219,1nmk,85.12801122188412,8.239999771118164,53,8,\"[(0, 1, 3, 4), (5, 4, 3, 1), (6, 5, 4, 3), (8, 9, 10, 11), (17, 16, 15, 14), (18, 17, 16, 15), (34, 35, 47, 48), (47, 49, 50, 51)]\"\n\"[ 2.82945849e+00 -1.02643541e+00 3.43844092e-02 7.35160583e+01\n 4.81315541e+01 9.25176507e+00 -2.42252451e-01 2.00090335e+00\n 3.00015677e-01 2.22540436e+00]\",[-171.39411282],33497,213,Optimization terminated successfully.,True,438,1.2372090463280707,5i3w,165.3718625203916,9.220000267028809,35,4,\"[(7, 6, 5, 0), (20, 24, 25, 26), (24, 25, 26, 27), (29, 28, 26, 25)]\"\n\"[ 0.93088149 -0.73956604 3.12031131 45.62154966 14.76822586 32.94851221\n -2.31452536 1.82328719 1.18036881 -0.19387872]\",-184.29972380859556,26781,176,Optimization terminated successfully.,True,372,1.373357817089091,4hvb,152.84094299303672,9.949999809265137,33,4,\"[(11, 10, 0, 1), (21, 20, 19, 9), (22, 23, 28, 29), (23, 28, 30, 31)]\"\n\"[ 2.01336149 -1.85712381 0.78558034 8.98187922 -12.97540315\n 0.64342553 0.72305385 -2.1450761 -1.95006824 2.67205748]\",[-50.33743901],59215,389,Optimization terminated successfully.,True,284,2.002484900388068,2ndo,34.550147125010504,3.25,20,4,\"[(4, 3, 1, 0), (3, 8, 9, 10), (8, 9, 10, 11), (14, 13, 10, 9)]\"\n\"[ 1.67295069 0.9223469 -1.24767275 -15.96506209 -21.39058594\n -7.92104875 -2.79462653 -2.50239144 -1.08778935 -2.98365034\n 0.12751438 -0.41754769 -2.02311893 1.01022277 1.05740747]\",[-90.33662793],76990,500,Maximum number of iterations has been exceeded.,False,407,1.4470631613206006,5kv9,93.4527222393989,5.849999904632568,32,9,\"[(4, 3, 2, 0), (17, 6, 5, 4), (5, 7, 8, 30), (7, 8, 30, 28), (7, 9, 11, 12), (9, 11, 13, 14), (11, 13, 15, 16), (22, 21, 18, 17), (27, 28, 30, 8)]\"\n\"[ 2.52810890e+00 -6.75119704e-01 -3.44623358e-01 -8.79248123e+01\n 1.42254568e+01 -6.98759723e+01 2.24210737e+00 7.01109913e-01\n -2.55996913e-01 1.93932341e-02]\",-55.818732969756006,12681,82,Optimization terminated successfully.,True,230,1.9541721262932104,1fpy,42.87907875970176,6.0,11,4,\"[(0, 1, 2, 3), (0, 1, 8, 9), (1, 2, 3, 4), (2, 3, 4, 5)]\"\n\"[ 1.42467184 0.79587143 -2.03417647 26.72469138 14.84964719 7.40868507\n 0.76736389]\",[-110.29343165],15362,92,Optimization terminated successfully.,True,309,1.6578120708917516,4jpe,112.09687324032112,7.320000171661377,25,1,\"[(18, 10, 0, 1)]\"\n\"[ 1.00927895 2.83567483 -0.59240863 13.81576693 36.41505652 63.08523212\n 2.027778 -0.26196013 1.61266675 -2.04114699 1.1129936 -1.67054107\n 0.53137392 -1.39875658 0.98262419 1.19882223 1.22830052 1.38016751\n -3.0564262 0.84369598]\",[-135.82241793],73318,447,Optimization terminated successfully.,True,491,2.1923616839597475,1yej,129.21784125861123,7.460000038146973,27,14,\"[(5, 0, 7, 6), (2, 3, 24, 26), (0, 7, 6, 8), (7, 6, 10, 11), (6, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 15), (12, 13, 14, 16), (13, 14, 16, 17), (14, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 23)]\"\n\"[-0.91425228 -0.66127716 1.56511556 17.02694299 46.3774357 21.15188477\n 0.53133138 1.67009036 1.91713933 2.39238619 1.37415595 -1.87163283]\",[-80.95257912],33267,202,Optimization terminated successfully.,True,443,2.837721012258156,1qiw,66.65201079163876,7.739999771118164,38,6,\"[(55, 50, 62, 63), (50, 62, 56, 61), (73, 74, 78, 79), (74, 75, 83, 84), (74, 78, 79, 80), (75, 83, 84, 85)]\"\n\"[ 2.9541344 -0.14468875 3.04881397 12.76315073 4.00613145 12.03341084\n -2.65329407 0.63073125 0.5681608 -1.56809739 2.72149818 -1.25554519]\",[-236.07980377],19383,109,Optimization terminated successfully.,True,399,2.6027692062034142,2vwz,250.02952927953294,6.099999904632568,29,6,\"[(2, 1, 0, 27), (26, 27, 0, 1), (7, 6, 5, 4), (8, 7, 6, 5), (23, 22, 19, 18), (24, 23, 22, 19)]\"\n\"[ 2.91339414 -3.10228193 2.59832327 7.12516907 2.09931785 24.76269858\n -2.00800477 -2.2036112 -2.38006912 0.37178453 2.13500695 -2.77236929\n -0.33672781 0.54621367 -0.77391795]\",[-131.40728088],77294,500,Maximum number of iterations has been exceeded.,False,558,2.6192378977782362,3hf8,139.14283583552674,6.510000228881836,38,9,\"[(0, 1, 3, 4), (6, 5, 3, 1), (7, 6, 5, 3), (13, 12, 11, 8), (13, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (26, 25, 20, 19), (32, 31, 30, 27)]\"\n\"[ -0.54528812 0.38458252 -0.17997698 -20.39396983 -8.86782663\n -36.18584149 -2.24146438 -0.6316877 -2.38222199 0.3434337\n 1.01762487 1.94511744 -1.62204288]\",[-139.46574193],77714,489,Optimization terminated successfully.,True,390,2.184489976085941,5f2k,126.98427785687439,6.159999847412109,26,7,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 2, 3, 4), (2, 3, 4, 8), (9, 8, 4, 3), (10, 9, 8, 4), (17, 16, 15, 10)]\"\n\"[ -0.43667552 -0.70675971 1.27416564 64.13037244 -25.90663921\n 55.14964498 1.2028781 -0.28258174 -1.49634641 2.09612003]\",[-37.73331131],20968,136,Optimization terminated successfully.,True,241,1.1403665079475584,5l4e,10.554600400128015,4.610000133514404,16,4,\"[(1, 0, 9, 10), (1, 0, 11, 12), (0, 11, 13, 14), (11, 13, 14, 15)]\"\n\"[ 1.52988306e+00 6.68517633e-01 -2.24523514e+00 3.29952385e+01\n 2.64949852e+01 6.19115907e+00 2.23037534e+00 2.18551202e+00\n -2.21027230e+00 -2.60583686e+00 9.36301803e-01 2.67933664e+00\n -2.66755128e+00 -1.31279985e+00 -1.54454754e+00 2.67533703e+00\n 2.49475863e-01 1.16119324e+00 8.75702386e-01 -2.03782741e+00\n 2.68838489e+00 7.17930233e-01 -2.23587386e+00 -2.61412039e+00\n -1.17483350e+00 -2.02001577e+00 2.49926790e+00 1.24049986e+00\n 2.83776861e-02 -4.42320010e-01 1.33848147e+00 7.82409168e-01\n -2.30872347e+00 -1.42262218e+00 2.48452381e+00]\",[-73.09451648],90051,500,Maximum number of iterations has been exceeded.,False,793,4.068668451442258,1bm2,105.14115118404163,6.960000038146973,57,29,\"[(1, 0, 3, 4), (0, 3, 4, 10), (3, 4, 10, 11), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 52), (51, 52, 9, 8), (17, 16, 13, 12), (12, 13, 14, 15), (13, 14, 28, 29), (19, 17, 16, 13), (20, 22, 23, 24), (22, 23, 24, 27), (14, 28, 29, 30), (32, 29, 30, 31), (30, 29, 32, 33), (29, 30, 35, 36), (30, 35, 36, 37), (39, 36, 37, 38), (37, 36, 39, 40), (36, 37, 43, 44), (36, 39, 40, 41), (37, 43, 44, 45), (47, 44, 45, 46), (45, 44, 47, 48), (51, 50, 45, 44), (50, 51, 52, 53)]\"\n\"[ 1.70931728e+00 1.41186698e+00 -2.41632009e+00 -1.40068937e+01\n 2.28834303e+01 -2.11471905e+01 6.94913492e-04 1.69677330e+00\n -2.78474184e+00]\",[-191.0020671],21884,137,Optimization terminated successfully.,True,401,2.2653401377752616,5x8i,19.505016628108972,8.699999809265137,31,3,\"[(3, 6, 7, 8), (10, 9, 7, 6), (23, 22, 20, 19)]\"\n\"[ 1.71038775 0.48669885 -2.58818395 -28.32233363 6.01904732\n -22.41398763 -2.06664409 0.98720045 0.09104369 2.3592188\n -2.2429826 2.13573903 -2.59492077 -0.78806618]\",[-78.95143009],77949,500,Maximum number of iterations has been exceeded.,False,453,2.558460721662084,5ipc,127.99324216445503,4.889999866485596,35,8,\"[(10, 2, 1, 9), (2, 1, 9, 6), (27, 3, 26, 5), (4, 27, 3, 26), (26, 5, 6, 7), (6, 5, 26, 3), (5, 6, 9, 1), (14, 13, 11, 0)]\"\n\"[-5.94711122e-01 -4.65222658e-02 -2.85250638e+00 6.04598351e+01\n 7.03653387e+00 2.24964385e+01 -6.81378436e-01 -1.65204913e+00\n 7.86840999e-01 8.82079407e-01 6.31040472e-01]\",[-101.60342931],18554,112,Optimization terminated successfully.,True,396,3.825009737078405,5fqb,84.86678365037692,6.519999980926514,26,5,\"[(3, 2, 1, 0), (4, 5, 8, 9), (11, 10, 8, 5), (12, 11, 10, 8), (14, 19, 23, 24)]\"\n\"[-1.04124819 -1.37553876 2.79424889 -6.6791478 -5.42807049 13.47057683\n 0.59947423 0.5855871 0.77619069 -0.42806209 0.17462177 0.32417382]\",[-77.26302405],51727,326,Optimization terminated successfully.,True,385,3.6521260007904974,6epa,48.384193872975764,5.949999809265137,26,6,\"[(16, 1, 15, 23), (2, 16, 1, 15), (4, 2, 16, 1), (6, 5, 16, 1), (22, 9, 23, 15), (9, 23, 15, 1)]\"\n\"[-0.2861844 2.07875336 0.38102566 8.76983215 21.68972272 18.56096783\n 2.18173911 1.23273778 0.54403827 1.04319994 0.77513933 0.31683242\n -0.23688434 1.33774075 -2.12752966 -0.69416077 1.17364069 1.25695405\n -2.98281236 -2.04727857 0.87984927 -1.94605754 -1.33930964 0.16140319\n -0.82688039 0.14752606 -0.40264526 -2.779204 ]\",[-113.75107539],85763,500,Maximum number of iterations has been exceeded.,False,602,2.594936463548884,2o4k,283.0232277406711,10.460000038146973,51,22,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (4, 5, 10, 11), (5, 10, 12, 13), (10, 12, 13, 14), (15, 14, 13, 12), (12, 13, 21, 22), (16, 15, 14, 13), (13, 21, 23, 24), (21, 23, 24, 25), (23, 24, 25, 26), (39, 38, 24, 23), (24, 25, 26, 27), (25, 26, 28, 29), (26, 28, 29, 30), (26, 28, 33, 34), (28, 33, 34, 35), (33, 34, 36, 37), (40, 39, 38, 24), (46, 45, 44, 41)]\"\n\"[ -0.03518723 -2.4199967 -0.64146671 -31.89752334 8.78256283\n 4.73374785 -2.111489 ]\",[-30.07230639],9010,56,Optimization terminated successfully.,True,220,0.021350746492007886,5acw,20.307591478700175,3.8399999141693115,11,1,\"[(2, 3, 7, 8)]\"\n\"[-1.28445079 3.01439886 -1.26195383 5.71144328 2.95006546 -2.67325862\n 1.26341368 1.79020615 1.78298163 2.72687492 -2.91892958 -2.15847902\n -1.7776953 ]\",[-76.56277104],56714,349,Optimization terminated successfully.,True,222,1.1895272607102008,1qxw,61.365295080747096,5.150000095367432,14,7,\"[(0, 2, 7, 6), (3, 4, 5, 6), (3, 4, 10, 11), (4, 5, 6, 7), (2, 7, 6, 5), (4, 10, 11, 12), (10, 11, 12, 13)]\"\n\"[ 1.87326369 1.47659457 1.19933156 12.16694281 -28.8099367\n -11.8824124 -2.26006266 -0.27783516 1.23865349 0.24440912\n -0.49270821 -0.42542917 0.53920975 -1.21234189 2.57384143]\",[-174.02780054],77358,500,Maximum number of iterations has been exceeded.,False,487,4.4989799680080145,6hjj,165.37970115308215,5.769999980926514,38,9,\"[(19, 1, 20, 2), (1, 20, 2, 21), (20, 2, 21, 3), (22, 3, 21, 2), (23, 22, 3, 21), (4, 5, 6, 24), (0, 17, 16, 15), (4, 23, 22, 3), (14, 34, 35, 36)]\"\n\"[ -0.31344976 -2.72675657 -1.51469847 -13.09376819 -2.27294768\n 10.83287013 1.9700405 0.57481109 -2.08904047 -2.02421967\n 3.03673674 -2.27148989 2.02581611 -1.93776898 0.30250601\n 0.4504757 -2.4825816 -2.03283899 1.81081008 0.82434983\n -2.59287109 2.76186139]\",[-50.22917403],79684,500,Maximum number of iterations has been exceeded.,False,665,3.7467674179125243,5hmh,80.30233164806499,8.149999618530273,52,16,\"[(1, 0, 47, 5), (0, 47, 5, 48), (47, 5, 48, 49), (50, 6, 49, 48), (41, 9, 10, 24), (8, 42, 9, 10), (23, 24, 10, 9), (11, 27, 12, 28), (29, 28, 12, 27), (38, 39, 14, 40), (20, 19, 16, 15), (10, 24, 23, 21), (13, 29, 30, 31), (10, 38, 39, 14), (0, 46, 45, 7), (5, 48, 49, 6)]\"\n[ 1.8583745 -3.05093711 0.09146133 30.63408097 66.05029351 7.80682152],[-107.85824201],10021,61,Optimization terminated successfully.,True,233,3.726251795983023e-05,2ow6,92.45023262906307,2.700000047683716,12,0,[]\n\"[-1.89364604e+00 7.44121173e-01 -4.27290242e-01 4.25770659e+00\n -4.60149934e+00 -1.05643706e+01 7.71095391e-01 -2.59961960e+00\n -9.18724006e-03 -2.44682687e+00 -3.02245041e+00 1.86354603e+00\n 1.04721476e+00]\",[-132.31367441],46898,292,Optimization terminated successfully.,True,375,1.360795122760481,3ehx,124.63557145241683,7.599999904632568,24,7,\"[(0, 1, 3, 4), (1, 3, 4, 5), (1, 3, 8, 9), (3, 4, 5, 6), (3, 8, 9, 10), (13, 12, 9, 8), (19, 18, 17, 14)]\"\n\"[ -2.09811533 2.30342852 -0.49522646 -22.36788982 13.43654632\n 1.52100267 -1.14892776 0.49436224 -0.71234356 -2.53649396\n -0.13595625 -2.08552799 -1.13748244 -1.9103316 -2.69921917\n 1.09944646]\",[-80.22171545],82251,500,Maximum number of iterations has been exceeded.,False,542,4.8538232261787275,2y6d,88.74766447309827,7.099999904632568,31,10,\"[(2, 0, 1, 4), (0, 1, 4, 9), (1, 4, 9, 11), (4, 9, 11, 14), (4, 9, 12, 15), (17, 13, 10, 7), (9, 11, 14, 19), (9, 12, 15, 20), (23, 19, 14, 11), (25, 23, 19, 14)]\"\n\"[ -0.41235069 -1.35019393 1.11733967 -17.94540377 -14.5607021\n -28.5655201 -1.43357167 0.33832554 -2.61174603 -1.85012197\n -1.05472917 -1.94469653 0.35654742 -0.64785966 2.18653795]\",[-133.51218037],76382,500,Maximum number of iterations has been exceeded.,False,498,3.6385562816291483,5eg4,132.29896965486364,7.679999828338623,59,9,\"[(0, 55, 6, 56), (55, 6, 56, 9), (15, 12, 9, 56), (12, 9, 56, 6), (18, 21, 23, 7), (44, 45, 24, 58), (45, 24, 58, 14), (47, 46, 26, 58), (46, 26, 58, 14)]\"\n\"[-5.95219589e-01 1.68355218e+00 -3.03231443e-01 2.74048064e+01\n -2.80830751e+01 2.32507623e-01 -6.35821695e-01 6.58373263e-01\n 6.32102048e-02 8.28806355e-01 4.01076200e-01 2.63044614e+00\n 6.58744700e-01 4.37836516e-01 1.69892033e+00 1.47362285e+00\n -7.66301790e-01 -2.18800297e-02 2.45479841e+00 1.02925721e+00\n -3.02577781e+00 -1.00778584e+00 2.78173448e+00 -7.79181798e-01\n -2.82749211e+00 2.66230745e+00 -1.96940036e+00 -2.19811074e+00\n -1.32294585e+00 -2.24482169e-01 -1.05533744e+00 2.40823526e+00\n -6.74357899e-01 -1.84772666e+00 -2.14327449e-01 2.53931147e+00]\",[-74.51742353],92363,500,Maximum number of iterations has been exceeded.,False,690,6.110186383909294,4fz3,74.97733334967377,3.7300000190734863,58,30,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 14, 15), (4, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (5, 14, 15, 16), (14, 15, 16, 17), (19, 18, 15, 14), (15, 16, 24, 25), (20, 19, 18, 15), (16, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (25, 26, 42, 41), (25, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (33, 34, 36, 37), (34, 36, 37, 38), (36, 37, 38, 39), (37, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (40, 41, 42, 26), (40, 41, 43, 44), (46, 45, 43, 41), (47, 46, 45, 43)]\"\n\"[-1.63448291 -0.55696937 2.44590703 12.99374659 26.23358338 -4.53813765\n 3.03314132 0.90842576 -1.25775558 2.51226233 -2.69448709]\",-63.05295181394019,49070,316,Optimization terminated successfully.,True,345,2.461535347637992,5t2p,52.23326348725213,5.71999979019165,29,5,\"[(2, 0, 16, 14), (10, 11, 23, 3), (8, 13, 14, 15), (0, 16, 14, 13), (4, 25, 23, 3)]\"\n\"[-2.09025108e-01 1.12508499e+00 2.83403551e+00 1.42813059e+02\n -1.45520356e+01 9.26683045e+01 -1.61497543e+00 -1.51791793e+00\n 6.79289817e-01 -3.23790087e-01 -6.17074155e-01 1.42610789e+00\n 1.89996044e+00 -4.35589145e-01 4.53440181e-01 -1.33784072e-01\n -1.18263955e+00 -2.43097765e+00 6.40392688e-01 8.77715203e-01\n 8.53788574e-01]\",[-105.21670814],86522,500,Maximum number of iterations has been exceeded.,False,595,3.6327234511543267,4ufg,157.40506309619886,8.149999618530273,39,15,\"[(4, 3, 1, 0), (0, 1, 10, 11), (5, 4, 3, 1), (1, 10, 11, 12), (13, 12, 11, 10), (10, 11, 19, 20), (14, 13, 12, 11), (11, 19, 21, 22), (19, 21, 23, 24), (21, 23, 24, 25), (21, 23, 26, 27), (23, 26, 28, 29), (30, 29, 28, 26), (31, 30, 29, 28), (32, 33, 34, 35)]\"\n\"[ 2.64188864 1.44909616 3.07007281 2.37522087 82.14629732 24.07574611\n 1.59858 1.23865421 2.267419 1.80854418 1.71933582]\",[-112.09150732],50820,323,Optimization terminated successfully.,True,274,1.2388809366315365,3ew2,99.27592618070702,6.670000076293945,16,5,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5)]\"\n\"[ 2.31950166 -0.12478881 -1.72075008 -1.8110619 -6.70807767\n -12.93223036 0.71199849 -1.59950415 -1.88210511 -0.97171069\n 2.0668266 1.49936951 -1.47105853]\",[-88.88535579],39132,245,Optimization terminated successfully.,True,318,1.5583597915689071,5wac,73.32164728123449,7.420000076293945,23,7,\"[(1, 2, 4, 5), (10, 9, 2, 1), (2, 4, 5, 6), (4, 5, 6, 7), (5, 6, 8, 19), (6, 8, 19, 20), (0, 15, 12, 11)]\"\n\"[ 1.28500815 1.0748094 -0.77661648 -0.08197773 0.75710585 24.91930475\n -1.99079562]\",[-83.05672575],9234,56,Optimization terminated successfully.,True,280,1.3405753375913727,5en3,61.611808203621806,6.210000038146973,21,1,\"[(14, 13, 11, 10)]\"\n\"[ -1.23553579 1.9546255 1.47901345 -35.58693038 30.1092549\n -7.03202915 -1.36292429 -0.9481811 -0.67459082 0.20913823\n -2.87160885]\",[-228.67600189],30860,193,Optimization terminated successfully.,True,417,0.3159217075047382,5vgo,210.71350140120802,8.699999809265137,38,5,\"[(15, 14, 13, 6), (23, 22, 18, 17), (14, 19, 20, 21), (31, 30, 24, 23), (32, 31, 30, 24)]\"\n\"[ 0.22034031 0.47378508 0.43589533 -13.41651998 -27.8725529\n 3.89589179 1.38300562 1.00351061 2.97536311 0.31233013\n -1.63614002 -0.81731512 0.02969056 -2.78537114 -0.23286657]\",[-103.36509215],77934,500,Maximum number of iterations has been exceeded.,False,221,1.3336645398777374,3snd,103.12345867860428,5.079999923706055,17,9,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 11), (1, 4, 5, 6), (10, 8, 11, 9), (2, 9, 11, 8), (8, 11, 12, 14), (11, 12, 14, 13), (15, 13, 14, 12)]\"\n\"[ 0.47184239 -2.6740128 1.88979605 7.79878786 5.67277426\n -23.27629204 2.72832128 0.8402043 -0.9739944 1.91564251\n -1.16301091 1.47319423 0.55532433]\",[-182.14010431],20352,123,Optimization terminated successfully.,True,358,2.1635650077887654,4mao,131.2617338706438,7.329999923706055,30,7,\"[(4, 3, 0, 1), (9, 8, 0, 1), (10, 9, 8, 0), (17, 16, 15, 14), (17, 18, 19, 20), (18, 21, 22, 23), (21, 24, 25, 26)]\"\n\"[ 0.34547643 1.69989123 -0.78841164 46.43850747 33.05830113 -0.59312638\n 2.02663218 -1.33469172 0.182833 -0.97190939 0.80780251 0.96680052\n -3.09270505 -2.24184556 1.71132571 2.03696594 -1.85065444 0.91682625\n 0.4196588 -0.49643571 -2.30395578 -1.56932783 1.85840331 -1.38363976\n -1.16664809 1.06769972 -1.89937198 1.25059837 -1.77209277 2.25508365\n 0.3770972 2.68601808 -2.55273518 -1.07259013 0.88720791]\",[-41.47179238],88935,500,Maximum number of iterations has been exceeded.,False,618,3.912328663244932,1ol1,51.6757908962904,4.679999828338623,51,29,\"[(1, 0, 2, 3), (1, 0, 14, 13), (0, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (12, 11, 13, 14), (12, 11, 22, 23), (11, 13, 14, 0), (11, 13, 15, 16), (13, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (11, 22, 23, 24), (22, 23, 24, 25), (22, 23, 26, 27), (23, 24, 30, 31), (23, 26, 27, 28), (24, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 38, 39), (31, 34, 35, 37), (32, 38, 39, 40), (38, 39, 40, 41), (43, 42, 39, 38), (44, 43, 42, 39)]\"\n\"[ 3.45579356e-01 -2.98748102e+00 5.38185830e-01 -2.81243006e+01\n -1.61536586e+01 -3.91481482e+00 -2.63779715e+00 7.15362156e-03\n 2.87408643e+00]\",[-118.39033705],16129,102,Optimization terminated successfully.,True,301,1.7695184287245693,5za7,109.4364093295494,5.869999885559082,21,3,\"[(7, 20, 2, 0), (3, 5, 6, 14), (5, 6, 15, 13)]\"\n\"[-0.25790679 2.33702412 1.66390909 46.67934487 17.14063306 32.84836347\n -2.51846269 1.83754826 -0.57239376 0.47378953 1.43837515 -1.01454534]\",[-164.01905573],18434,107,Optimization terminated successfully.,True,499,1.7113233028434807,3cst,128.6579515118936,7.409999847412109,42,6,\"[(19, 41, 25, 26), (27, 28, 32, 37), (28, 32, 37, 33), (34, 33, 35, 39), (34, 33, 36, 40), (34, 33, 37, 32)]\"\n\"[ -0.75180665 -0.55338947 -1.36043671 21.96572257 -16.12682993\n 26.55089714 1.36901809 -1.61136214 2.60659435 -0.84012111\n -1.40689061 -0.8365642 -1.54670606 -0.08163311]\",[-92.98281901],78879,500,Maximum number of iterations has been exceeded.,False,464,2.6763503443083523,1d6w,105.05752427972556,5.960000038146973,37,8,\"[(0, 1, 6, 25), (11, 7, 4, 3), (24, 25, 6, 1), (19, 14, 13, 27), (14, 13, 27, 28), (18, 24, 25, 26), (31, 28, 27, 13), (36, 31, 28, 27)]\"\n\"[-0.32206391 -0.3625062 -2.85933371 -4.82828225 -2.82895625 26.1098167\n -1.27716856 -1.07241951 -0.54967546 -2.37798986 2.88524927 0.3169191\n 2.88851511 2.00739024 -0.84412442 0.8439637 -2.38621026 1.28663724\n -0.80502456 -1.89802329 2.36614933 -1.25023624]\",[-128.21128864],29886,185,Optimization terminated successfully.,True,821,1.9307502463393869,1bzh,90.72461244573192,6.769999980926514,68,16,\"[(2, 1, 4, 5), (1, 4, 5, 6), (15, 14, 17, 18), (14, 17, 18, 19), (23, 22, 25, 26), (22, 25, 26, 27), (25, 26, 27, 28), (33, 32, 31, 30), (36, 33, 32, 31), (35, 38, 39, 40), (38, 39, 40, 47), (39, 40, 47, 43), (39, 40, 41, 46), (52, 51, 54, 55), (51, 54, 55, 57), (58, 59, 61, 67)]\"\n\"[ 1.53181866e-02 1.59811541e+00 8.89221442e-01 3.84711583e+01\n 2.08320246e+00 -3.04756296e+01 -1.48964508e+00 1.40940030e+00\n 6.97803853e-02 1.17429455e-01 1.82755484e-01 -2.61720995e+00\n -4.96597438e-01 -1.86042948e+00 -7.39229149e-01 1.68730103e+00\n -5.82345108e-01 -1.59433804e+00 -3.64831508e-01 1.69809796e-02\n 1.39258074e+00 -2.11246020e+00 1.23937799e-01 1.42656613e+00\n -2.42031556e+00 1.37706605e+00 2.19716940e+00 6.28536308e-01\n 4.49338101e-01 1.76265300e+00 -2.49363754e+00 1.07727362e-01\n 6.15437247e-01 -1.62343058e+00 1.46389631e-01 -1.67798540e+00\n -4.32995470e-01 -1.41209188e+00 -3.44647971e-01 -9.10537927e-01\n 1.16902501e+00 -2.43713443e+00 -5.10630209e-01 -6.65437050e-01\n -2.44603763e-01 -1.64311024e+00 7.98497001e-01 -2.49952583e+00\n 1.36677649e+00 -1.05761426e+00 1.88006633e+00 -2.25613752e+00\n 3.31147921e-01]\",[-83.16260707],81873,500,Maximum number of iterations has been exceeded.,False,1070,8.000705068414598,4wph,46.880741082189246,5.800000190734863,77,47,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 9, 18, 19), (8, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (9, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 27, 28), (19, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (20, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 33, 34), (29, 33, 34, 35), (33, 34, 35, 36), (34, 35, 38, 39), (35, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (39, 40, 49, 50), (39, 42, 43, 44), (42, 43, 44, 45), (43, 44, 45, 46), (40, 49, 50, 51), (49, 50, 51, 52), (49, 50, 53, 54), (50, 51, 58, 59), (50, 53, 54, 55), (53, 54, 55, 56), (54, 55, 56, 57), (51, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 60, 65, 66), (60, 65, 66, 67), (65, 66, 67, 68), (65, 66, 69, 70), (66, 69, 70, 71), (69, 70, 71, 72), (70, 71, 72, 73)]\"\n\"[ -1.02631057 0.1115512 -0.16223857 -8.31435997 7.03703832\n -25.28746441 1.36412537 0.69432972 2.58651186 -1.98014817\n -0.89509916 -2.22062407 1.3787588 1.88033988 0.33178537\n -2.35319463 -2.86517663 0.79676106 0.52902231 1.23363302\n -2.37969804 -1.9154203 1.42955351 -0.41147643 0.5527158\n 0.35884275 1.04097005 -0.1005814 2.0828275 -0.85675382\n 1.07038667 -0.51218185 0.20028195 2.71749928 0.96042312\n 0.72085588 -1.95971906 -0.95199198 -1.40121379 1.36956795\n 0.81472212 -1.96368582 -2.37216558 0.42345706 1.28369238\n -1.92891463 -3.01615089 -0.37838705 2.58112601 0.69157776\n 0.23123907 0.3049616 1.50828345 -0.11899477 -0.3773633\n 1.2289309 3.03796866 -1.25821651 0.54345963 0.11645635\n -0.53681053 -1.1093599 1.62529188 1.72716611 -0.91151971\n -0.51489594 -2.25424082 -0.03382579 1.02768475 1.35060131\n -1.13815004 2.39315748 -1.90948376 1.72196516 1.42758643\n -0.58935934 0.75832196]\",[-111.06219678],82848,500,Maximum number of iterations has been exceeded.,False,1359,8.557449131983288,3bu8,128.28315001926623,6.920000076293945,122,71,\"[(0, 1, 4, 5), (0, 1, 2, 3), (1, 2, 6, 7), (2, 6, 7, 10), (11, 10, 7, 6), (6, 7, 8, 9), (7, 8, 17, 18), (12, 11, 10, 7), (8, 17, 18, 21), (17, 18, 21, 22), (17, 18, 19, 20), (18, 19, 25, 26), (18, 21, 22, 24), (19, 25, 26, 29), (25, 26, 29, 30), (25, 26, 27, 28), (26, 27, 33, 34), (26, 29, 30, 31), (27, 33, 34, 37), (33, 34, 35, 36), (39, 38, 35, 34), (42, 39, 40, 41), (39, 40, 45, 46), (40, 45, 46, 49), (45, 46, 49, 50), (45, 46, 47, 48), (46, 47, 53, 54), (46, 49, 50, 51), (47, 53, 54, 55), (53, 54, 55, 56), (54, 55, 57, 58), (55, 57, 58, 61), (57, 58, 61, 62), (57, 58, 59, 60), (58, 59, 68, 69), (58, 61, 62, 63), (61, 62, 63, 64), (62, 63, 64, 65), (59, 68, 69, 72), (68, 69, 72, 73), (68, 69, 70, 71), (69, 70, 79, 80), (69, 72, 73, 74), (72, 73, 74, 75), (73, 74, 75, 76), (70, 79, 80, 83), (79, 80, 83, 84), (79, 80, 81, 82), (80, 81, 90, 91), (80, 83, 84, 85), (83, 84, 85, 86), (84, 85, 86, 87), (81, 90, 91, 94), (90, 91, 94, 96), (90, 91, 92, 93), (91, 92, 97, 98), (92, 97, 98, 101), (97, 98, 101, 102), (97, 98, 99, 100), (98, 99, 106, 107), (98, 101, 102, 103), (101, 102, 103, 105), (99, 106, 107, 110), (106, 107, 110, 111), (106, 107, 108, 109), (107, 108, 112, 113), (108, 112, 113, 116), (112, 113, 116, 117), (112, 113, 114, 115), (113, 116, 117, 118), (116, 117, 118, 120)]\"\n\"[ 2.57646641e+00 1.12076868e+00 -6.60403167e-01 -9.49787272e-01\n 3.81058737e+01 1.59350335e+01 -2.42359195e+00 -1.71198398e+00\n -6.97325488e-02 2.54807073e-01 -1.16352213e+00 -1.25989133e+00\n 1.50572140e+00 -2.70356375e+00 -7.00465030e-01 1.79203139e+00\n 1.87766738e+00 -2.70466485e+00 -8.77390843e-01 -1.34100656e+00\n 2.00874671e+00 -3.03088247e+00 -1.67590522e+00 1.04569785e+00\n 1.87545771e+00 1.26168458e+00 3.01427310e+00 6.12124394e-01\n 2.20268388e+00 2.78936219e+00 -1.60673195e+00 -1.90659802e+00\n -1.20680560e+00 -1.34701276e+00 8.18188213e-01 2.37900177e+00\n 2.59433515e-01 -9.94728360e-01 -1.11991374e+00 -4.70614488e-01\n -3.09888315e-02 -2.57796498e+00 1.89365789e+00 -9.51779185e-01\n -9.53646456e-02 -1.66641004e+00]\",[-110.48329234],95803,500,Maximum number of iterations has been exceeded.,False,909,7.456393992232508,2g6q,91.86335756471992,5.820000171661377,68,40,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 9), (5, 6, 9, 10), (5, 6, 7, 8), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 20), (16, 17, 20, 22), (16, 17, 18, 19), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 30, 31), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 32), (24, 30, 35, 36), (30, 35, 36, 39), (35, 36, 39, 40), (35, 36, 37, 38), (36, 37, 44, 45), (36, 39, 40, 41), (39, 40, 41, 43), (37, 44, 45, 48), (44, 45, 48, 50), (44, 45, 46, 47), (45, 46, 51, 52), (46, 51, 52, 55), (51, 52, 53, 54), (52, 53, 56, 57), (53, 56, 57, 60), (56, 57, 60, 61), (56, 57, 58, 59), (57, 60, 61, 62), (60, 61, 62, 63), (61, 62, 63, 64)]\"\n\"[ 0.37319022 0.62648244 1.60047982 23.50933116 21.52447624 2.7940902\n 0.35785295 2.6691029 -1.05667752 2.04315459]\",-110.25618278125276,9831,63,Optimization terminated successfully.,True,401,1.6080248799658956,1kak,52.79240353080263,4.590000152587891,24,4,\"[(13, 0, 14, 17), (8, 7, 0, 14), (2, 1, 11, 20), (1, 11, 20, 23)]\"\n\"[ 2.74397098 2.22520821 2.28750627 -5.62027616 4.24135955 16.72709227\n 1.10635847 0.82330001 1.89392788 1.41301418]\",[-109.25320651],27781,179,Optimization terminated successfully.,True,345,2.427476447025805,6c7x,77.61908304374032,7.190000057220459,24,4,\"[(5, 7, 9, 21), (0, 13, 8, 6), (7, 9, 21, 22), (9, 21, 22, 15)]\"\n\"[ -0.55553841 1.28747667 -1.65675583 -16.14746393 -18.22588436\n 14.85244302 -1.88340819 1.47479753 -2.04736324 1.5166365\n -0.88292729 -1.23582719 1.27794602 -0.78638495 -0.62735629\n 1.01561324 1.51744532 -1.74826916 -1.05053972 0.68712243\n 0.88815154 0.87164474 1.11893604 2.93418977 1.02925766\n -1.16201305 1.43009442 0.30426968 -0.43839365 3.01178078\n 2.1204154 -1.26477647 0.65150079 -0.0498796 3.08479326\n -0.99147137 -0.57704957 0.32826733 0.17737116]\",[-96.1680969],79436,500,Maximum number of iterations has been exceeded.,False,756,5.147406384414105,2vpg,108.65110455878016,5.679999828338623,58,33,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 16, 17), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (8, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 34, 35), (26, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (26, 34, 36, 37), (34, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 45, 46), (37, 40, 41, 42), (40, 41, 42, 43), (38, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50), (46, 47, 52, 53), (47, 52, 53, 54), (52, 53, 54, 55)]\"\n\"[ 2.30462395 0.92841223 0.42265218 -12.54240496 -4.9038201\n 39.69806084 -0.64734426 -0.74741044 -0.64414424 1.81817659\n -1.26811109 -1.93657995 0.98125893 -1.78409373 -3.0158696\n 0.33290376 -0.07797655 -0.72607913 -1.73843412 -0.04712988\n 1.25131009 -0.78234236 -2.46581274 -2.49267492 -2.35574613\n -0.89499652 -0.54841516]\",[-108.92534815],83318,500,Maximum number of iterations has been exceeded.,False,612,2.5432247943031068,3r6g,127.19512836419382,7.599999904632568,39,21,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 10, 11), (5, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 16), (12, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (26, 27, 30, 31), (27, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 34, 35, 36)]\"\n\"[-7.60328148e-02 1.76075590e+00 2.91583324e+00 1.21463888e+01\n 2.66864595e+00 1.53389548e+01 2.00843282e-01 -1.12461535e+00\n -1.14584138e+00 -3.10608237e+00 1.98412385e+00 -4.68554135e-03\n -4.19492051e-01 -2.27435197e+00 2.81908347e+00 -4.34894350e-01\n 4.56772139e-01 1.68452625e+00 -2.14513087e+00 6.36012254e-01\n 3.04681099e+00 1.28562611e+00 6.27397360e-01 -2.24285101e+00\n -1.34106184e+00 1.27340542e+00 2.12829088e+00 -1.01532231e-02\n 1.12747140e+00 -1.01363901e+00 4.03811026e-01 1.08398020e-01\n 1.37250042e+00 2.81612255e+00 1.20813607e+00 -7.14069202e-01\n -1.20065205e+00 -2.48009114e+00 2.80532311e+00 -8.37089820e-02\n 2.90500308e+00 1.45259229e+00 -1.49264399e+00 7.87708713e-01\n 1.01310311e+00 2.74192705e+00 1.44035697e+00 1.36165776e+00\n 1.64856407e+00 -2.31375826e+00 -2.06571134e+00]\",[-81.98618413],84141,500,Maximum number of iterations has been exceeded.,False,963,8.376837505764543,4hcz,52.99560528121158,4.440000057220459,78,45,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (6, 7, 10, 11), (7, 8, 13, 14), (8, 13, 14, 15), (13, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (17, 18, 19, 20), (18, 19, 21, 22), (19, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 28, 29), (23, 28, 29, 30), (28, 29, 30, 31), (28, 29, 35, 36), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 37), (29, 35, 40, 41), (35, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (50, 49, 42, 41), (41, 44, 45, 46), (44, 45, 46, 47), (45, 46, 47, 48), (49, 50, 51, 52), (50, 51, 56, 57), (51, 56, 57, 58), (56, 57, 58, 59), (61, 60, 57, 56), (57, 58, 66, 67), (62, 61, 60, 57), (58, 66, 67, 68), (66, 67, 68, 69), (66, 67, 70, 71), (67, 70, 71, 72), (70, 71, 72, 73), (71, 72, 73, 74)]\"\n\"[ 1.07340561 -1.5908286 -1.77307281 39.92162577 -63.44028128\n -21.65718922 0.89606719 1.98649837 1.2664973 0.98679111\n 0.63901538 -3.14050908 -0.71690205 -2.42787136 1.42607738\n 0.10221947 -1.19054867 1.43413336 2.65124437 1.68705226\n 1.54033845 2.82598834 0.55302284 -0.3056928 2.69954996\n 1.74064434 2.77831042 0.17393801 0.66458066 -1.54135559\n -1.0808459 -1.37926723 -1.12793288 -0.10897968 0.47688008\n -0.69469981]\",-59.1244091635985,90957,500,Maximum number of iterations has been exceeded.,False,771,5.445737083393633,4cc7,57.81960282678712,4.329999923706055,65,30,\"[(0, 1, 2, 3), (8, 7, 2, 1), (7, 8, 9, 10), (8, 9, 14, 15), (9, 14, 15, 16), (14, 15, 16, 17), (15, 16, 19, 20), (16, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (28, 27, 21, 20), (20, 23, 24, 25), (27, 28, 29, 30), (28, 29, 34, 35), (29, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 40, 41), (36, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 46, 47), (42, 46, 47, 48), (46, 47, 48, 49), (52, 51, 48, 47), (51, 52, 53, 54), (52, 53, 58, 59), (53, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63)]\"\n\"[ 1.21453346e+00 2.93729195e+00 -2.15127492e-02 2.95500624e+01\n 6.65318783e+01 8.18023137e+00 -1.69495753e+00 -2.01861909e+00\n 2.66937221e+00 1.68812521e+00 4.08467752e-01 -1.49235454e+00\n 3.09256854e+00 -1.93468722e+00 -1.21910458e+00]\",[-110.2256046],21580,137,Optimization terminated successfully.,True,303,2.295685308801516,3d50,88.30953605816178,4.769999980926514,20,9,\"[(2, 0, 1, 12), (0, 1, 12, 13), (6, 8, 9, 10), (1, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[-0.4679626 -2.92323024 1.32863915 12.4431964 3.78116315 -5.57666159\n 1.06059634 -2.90183921 -2.62893913]\",[-100.04007219],21086,131,Optimization terminated successfully.,True,298,1.0862299742378878,5l6o,86.25236110117143,8.220000267028809,20,3,\"[(16, 17, 2, 1), (5, 6, 10, 11), (2, 17, 16, 3)]\"\n\"[-1.05054725e+00 -2.10355496e+00 1.21139209e+00 -4.07575294e+01\n -2.15330661e+01 9.20179080e+00 -3.02060608e+00 1.84593514e-02\n -2.72555789e+00 -2.30531918e+00]\",-70.6107489603234,16431,107,Optimization terminated successfully.,True,242,1.691640548521833,5el9,59.074421769419146,7.639999866485596,13,4,\"[(0, 2, 5, 4), (8, 3, 4, 5), (4, 3, 8, 7), (2, 5, 4, 3)]\"\n\"[-3.00721580e+00 1.97640284e-02 -6.98791811e-01 2.58475849e+01\n -7.78048616e+00 3.31715320e+01 1.97577411e+00 1.53924309e-01\n -1.55849392e+00 9.43447711e-01]\",[-163.48973745],20713,131,Optimization terminated successfully.,True,325,1.5102988680367817,6cck,162.6492717710044,7.429999828338623,23,4,\"[(6, 3, 4, 5), (7, 6, 3, 4), (16, 20, 3, 4), (15, 16, 20, 3)]\"\n\"[ 0.84497411 -0.21691024 -0.91301718 -4.74228388 0.15736647 3.03253001\n 0.19182241 0.61929866 0.50109861 2.30119627 0.29913302 1.25179859\n -1.72837821 -1.13136871 -1.67013767 0.50857903]\",[-40.50203254],35798,217,Optimization terminated successfully.,True,424,3.2196941523396645,3hzy,12.286076955180523,7.0,33,10,\"[(4, 3, 0, 1), (0, 3, 14, 15), (21, 22, 5, 4), (6, 8, 10, 11), (8, 10, 12, 13), (3, 14, 15, 16), (19, 18, 21, 22), (5, 22, 21, 18), (25, 27, 29, 30), (27, 29, 31, 32)]\"\n\"[ -1.83451649 0.70642527 -0.27909893 -22.26201509 18.52076559\n 14.34949419 0.85891691]\",[-36.12669345],23466,148,Optimization terminated successfully.,True,180,0.7814420843995337,6dzq,20.427990260509453,7.369999885559082,12,1,\"[(4, 3, 1, 0)]\"\n\"[ 1.77719891 -2.18291968 0.98598907 14.15008725 -30.73560763\n -2.15275775 2.35297405 2.08974708 2.68674642 1.70527122\n -0.90145149 1.94347725 3.02939104]\",[-138.99330028],42390,264,Optimization terminated successfully.,True,417,2.2996885945479706,4mbj,75.04059107115066,7.210000038146973,27,7,\"[(3, 4, 9, 10), (11, 10, 9, 4), (13, 11, 10, 9), (13, 14, 20, 21), (14, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24)]\"\n\"[ 1.76620795e+00 -2.68937821e+00 3.71500096e-01 3.78872888e+01\n 9.36853520e+01 2.02325163e+01 -3.01035166e+00 1.59036726e+00\n -3.41506618e-01 2.63294050e+00 7.45696818e-02 7.80701524e-02]\",[-101.99876131],26000,159,Optimization terminated successfully.,True,303,1.590152365759582,1re1,80.15751200722043,5.210000038146973,17,6,\"[(0, 5, 7, 8), (5, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 14), (9, 10, 12, 13), (10, 11, 14, 15)]\"\n\"[ 0.96103504 -2.63624978 2.02672284 29.34322669 -26.85091152\n 86.15130545]\",[-23.83951006],8073,51,Optimization terminated successfully.,True,245,1.2969727764006183,4bqt,20.026133523564162,5.789999961853027,14,0,[]\n\"[-1.49394470e-02 -1.57518737e+00 -1.18017825e+00 2.58087779e+01\n 1.04379775e+01 7.52639251e+01 2.00938733e+00 -2.32366782e-01\n 6.47661044e-01 -1.44695447e+00 -4.58527871e-02 1.22491902e+00\n -3.07815309e+00 -7.52490184e-01 1.12308964e+00 3.66699360e-01\n -1.93175089e-01 -1.18891277e+00 2.92702404e+00 2.49716215e+00\n -2.66160301e+00 -1.02860774e+00 -3.89370524e-01 2.52937112e-01\n 1.74572658e+00 1.98072440e+00 5.63890123e-01 -2.35244721e+00\n 5.85353078e-01 -3.13354638e+00 7.71852053e-01 -2.22224007e+00\n -6.93896304e-01 2.76061508e+00 2.43640442e+00 2.72491367e+00\n -4.95789916e-01 -1.30662212e+00 -1.81286446e+00 -1.50418520e+00]\",[-78.25010942],81349,500,Maximum number of iterations has been exceeded.,False,878,5.6247133258112445,5e2v,71.52287934878291,6.079999923706055,65,34,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (4, 5, 8, 9), (5, 6, 7, 10), (6, 7, 10, 11), (15, 14, 8, 5), (14, 15, 16, 17), (15, 16, 21, 22), (16, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26), (23, 25, 26, 27), (25, 26, 27, 28), (25, 26, 34, 35), (26, 27, 29, 30), (27, 29, 30, 31), (37, 36, 34, 26), (36, 37, 38, 39), (37, 38, 43, 44), (38, 43, 44, 45), (43, 44, 45, 46), (44, 45, 47, 48), (45, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 53, 54), (49, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 57, 58, 59), (57, 58, 59, 60), (58, 59, 60, 61)]\"\n\"[ 1.05076483 -2.04069055 2.45350078 6.09585677 9.77979431 25.75464537\n 0.28829863 -1.00856988 0.47681634]\",[-71.0630875],13801,86,Optimization terminated successfully.,True,313,1.7821211481681778,3l0v,60.22228226170406,7.639999866485596,21,3,\"[(5, 11, 0, 1), (0, 11, 5, 4), (15, 16, 19, 20)]\"\n\"[ -0.25270734 0.84842452 -3.08298495 -11.55412552 43.43452282\n -16.18189767 -2.65676874 -0.10744902 -2.00454021 0.23128154\n 1.84557851]\",-96.37071116016125,25046,160,Optimization terminated successfully.,True,466,1.9439785558156744,4e1n,88.28439606324392,7.170000076293945,32,5,\"[(7, 8, 12, 13), (14, 11, 9, 2), (8, 12, 13, 24), (8, 12, 29, 30), (12, 13, 24, 25)]\"\n\"[ 0.68907711 -1.40392944 0.0698872 13.63090351 3.68770912 17.04929851\n -0.55302084 2.46450885 -0.46079763 -2.03906905 -0.13137198 1.50271214\n -0.41783926 -0.99832774 0.98878894 1.83715344 0.40296647 2.22952972\n -1.49282503]\",[-65.91571763],78532,500,Maximum number of iterations has been exceeded.,False,482,3.536306629968975,3r8i,63.68176802154019,5.349999904632568,32,13,\"[(22, 1, 21, 19), (21, 1, 22, 20), (0, 28, 1, 21), (2, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 21), (18, 19, 21, 1), (26, 20, 22, 1), (9, 26, 20, 22), (11, 27, 23, 31), (27, 23, 31, 3), (5, 25, 31, 3)]\"\n\"[ 2.50535227 1.01688936 0.16612175 -3.67698444 -1.33132944 2.54650508\n -2.88645452 -0.2150909 -1.43577308 3.00041423 -2.57702785 -1.92712428\n 2.61139323 2.08846361 0.07199416 0.05958031]\",[-175.99348147],16850,99,Optimization terminated successfully.,True,470,2.1317139673715455,5xs8,140.38083460783685,5.409999847412109,34,10,\"[(13, 21, 0, 1), (3, 4, 5, 9), (11, 12, 19, 17), (0, 21, 13, 12), (13, 14, 22, 30), (14, 15, 16, 24), (15, 16, 24, 29), (12, 19, 17, 18), (14, 22, 30, 31), (16, 24, 29, 26)]\"\n\"[-0.85953498 -0.89271211 0.31750448 14.97723056 18.37596315 23.89991288\n -0.38661465 -2.50876929 1.22177764 -2.41518699 1.33646521 0.54794357\n 1.16849306]\",[-39.02898972],78660,500,Maximum number of iterations has been exceeded.,False,446,3.008712549628891,5ea4,29.23285306167199,8.109999656677246,31,7,\"[(7, 8, 0, 10), (11, 10, 0, 8), (7, 9, 1, 2), (14, 26, 5, 27), (26, 5, 27, 17), (10, 14, 26, 5), (22, 17, 27, 5)]\"\n\"[-2.72747531 -3.07549619 -2.34337794 1.75319115 7.22720543 68.22838347\n 1.83352067 1.38649484 2.87944061 -2.54823854 2.29552852 -0.62472881\n 2.70438982 0.31297159 0.24041794]\",[-88.45749124],76974,500,Maximum number of iterations has been exceeded.,False,383,2.9523691180052447,5fdz,82.98975510105412,5.170000076293945,28,9,\"[(7, 6, 5, 0), (8, 7, 6, 5), (7, 8, 10, 11), (8, 10, 12, 13), (9, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (22, 21, 19, 18), (23, 22, 21, 19)]\"\n\"[ 0.28602726 -0.05194532 -1.58803731 -15.18060717 29.39687895\n -0.76875393 -2.49460269 2.96152723]\",[-265.45419339],7345,43,Optimization terminated successfully.,True,326,1.2754434091236093,4e4l,248.02031316271052,8.770000457763672,23,2,\"[(12, 11, 1, 0), (3, 4, 7, 8)]\"\n\"[ 0.72295339 -0.21726579 1.23847598 19.02491447 0.56846684 80.96384846\n 0.88454196]\",-62.974843106053385,10024,63,Optimization terminated successfully.,True,221,0.5777507378404798,4guj,48.26150595773964,3.049999952316284,12,1,\"[(4, 5, 6, 7)]\"\n\"[ -0.66850348 2.34067506 2.2662947 10.20285583 -5.01547293\n -16.67461955 -0.61137409 2.90509254 0.69874366 1.01174341\n -1.02684227 -1.90721811 2.01520335 0.04935405 -1.80602633\n 2.23414968 1.87404029 0.34452456 -1.3187055 0.17803481\n -1.07160852 -2.80053196 1.23188606 -1.79473873 0.33974518\n 0.02007708 0.37455762 -1.98298351 -0.24128221 0.38070084\n -1.29304023]\",[-61.49580139],80503,500,Maximum number of iterations has been exceeded.,False,653,4.866973480847447,6c4g,101.64851880426485,8.300000190734863,51,25,\"[(1, 0, 2, 3), (1, 0, 10, 11), (4, 3, 2, 0), (5, 4, 3, 2), (0, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 20), (11, 12, 13, 15), (12, 13, 15, 16), (11, 14, 21, 22), (13, 15, 16, 17), (14, 21, 22, 23), (21, 22, 23, 24), (26, 25, 22, 21), (22, 23, 31, 32), (23, 31, 32, 33), (31, 32, 33, 34), (31, 32, 37, 38), (32, 33, 34, 35), (32, 37, 39, 40), (37, 39, 40, 41), (39, 40, 50, 49), (43, 42, 48, 49), (42, 48, 49, 50), (48, 49, 50, 40)]\"\n\"[ -1.36905424 -0.28774763 -2.16080471 -19.31049807 -16.73795402\n 6.68034155 2.57376435 3.02140762 1.85722337 0.06346821\n -0.42225732 0.73274771 1.62836472 -0.83615323 -2.9050736\n 0.33409228 0.19550238 -0.76521705 -1.96962232 -0.05698661\n -1.76116027 -1.34848553 -0.12891048 1.75219597 0.45544667\n -0.22058907 0.5842355 -2.09960882 -0.03259474 0.17024276\n -0.42782686 2.527435 -0.3152412 2.72926938 -0.92897257\n -1.65934082 0.94381836 -1.22662307 -2.46700714 0.91332284]\",[-83.70289097],85039,500,Maximum number of iterations has been exceeded.,False,892,7.521981716363043,4dv9,181.13591189039178,6.71999979019165,70,34,\"[(1, 0, 4, 2), (1, 0, 5, 6), (0, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 21, 12), (18, 16, 17, 20), (17, 16, 18, 13), (16, 17, 20, 19), (15, 19, 20, 17), (15, 19, 22, 23), (17, 20, 21, 7), (19, 22, 23, 24), (25, 24, 23, 22), (22, 23, 31, 32), (26, 25, 24, 23), (23, 31, 33, 34), (31, 33, 34, 35), (33, 34, 36, 37), (34, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 44, 45), (37, 40, 41, 42), (38, 44, 45, 46), (44, 45, 46, 47), (45, 46, 49, 50), (46, 49, 50, 51), (49, 50, 51, 52), (54, 53, 50, 49), (65, 69, 51, 50), (55, 54, 53, 50), (61, 66, 67, 62), (64, 68, 67, 62)]\"\n\"[ 1.27755806e+00 2.13142312e+00 8.53011567e-01 2.74004629e+01\n 4.40172534e+01 1.69115160e+01 -9.81648372e-01 -3.19413110e-02]\",[-92.69854423],7219,43,Optimization terminated successfully.,True,272,0.5670313219170685,2g70,75.90245180789996,7.769999980926514,15,2,\"[(0, 1, 9, 8), (4, 5, 11, 2)]\"\n\"[ 0.72136597 -0.72189162 1.14906352 -4.09447877 5.0699578 7.89503911\n -0.65768578 2.1500324 -0.45604333 -0.29136912]\",-65.08484404116004,21531,141,Optimization terminated successfully.,True,519,2.0590742779562112,5lws,52.92868610835448,3.940000057220459,38,4,\"[(17, 16, 4, 14), (18, 17, 16, 4), (31, 30, 29, 0), (30, 31, 32, 2)]\"\n\"[ -0.23907985 -3.05927504 -0.63141385 -16.80839927 38.09910854\n 7.04348492 2.21942302 1.55862948 0.29727768 -2.29614259\n -0.19175783 -0.17409583]\",[-68.28877945],68939,436,Optimization terminated successfully.,True,351,2.111784635387723,3s2o,43.43885940985733,5.050000190734863,28,6,\"[(0, 8, 11, 12), (8, 11, 12, 13), (8, 11, 14, 15), (11, 14, 15, 16), (18, 16, 15, 14), (19, 18, 16, 15)]\"\n\"[ 2.36540584 0.69298779 2.93239424 -64.74311723 19.96823163\n -47.20027014 0.10364592 1.14572389 -1.32333276 0.37108616\n -1.01145912 -1.49590659 1.06287326]\",[-81.74022587],26680,165,Optimization terminated successfully.,True,443,2.0766421104195696,4qt0,51.13867868324134,6.289999961853027,33,7,\"[(4, 3, 1, 0), (10, 9, 8, 6), (11, 10, 9, 8), (10, 11, 12, 13), (24, 23, 21, 20), (25, 26, 27, 28), (23, 30, 31, 32)]\"\n\"[ 2.08401948 -1.35003481 2.00946603 41.36619479 34.30647378 48.4274435\n 1.77063556 2.14707654 -0.39327763 1.38674045 1.00514715 -2.38522948\n -1.68324684 -0.07822594 -1.7573121 ]\",[-78.84684776],76494,500,Maximum number of iterations has been exceeded.,False,345,2.9486204086120114,1uze,109.01098847017124,8.899999618530273,25,9,\"[(10, 5, 8, 7), (8, 5, 10, 9), (11, 6, 7, 0), (0, 7, 8, 5), (1, 9, 10, 5), (5, 10, 17, 18), (6, 11, 15, 3), (19, 18, 17, 10), (20, 19, 18, 17)]\"\n\"[ 0.27280973 1.30895656 0.34689586 14.82205375 58.72048104 92.55447237\n 0.91509956 -2.40546187 -2.46095553 0.96873136 2.60796776 1.83120532\n -1.48594755 1.19005072 1.04762347 1.32911171 -0.39921618]\",[-108.20199825],78543,500,Maximum number of iterations has been exceeded.,False,503,2.321733039033954,5nvx,139.76203669485645,7.050000190734863,36,11,\"[(0, 2, 4, 5), (2, 4, 6, 7), (4, 6, 7, 8), (6, 7, 8, 9), (6, 7, 12, 13), (15, 14, 12, 7), (14, 19, 20, 21), (19, 20, 22, 23), (24, 23, 22, 20), (25, 24, 23, 22), (31, 30, 29, 26)]\"\n\"[-6.96703888e-01 -2.86481441e+00 -4.28277006e-03 1.50697925e+02\n 3.10475130e+02 -1.94083802e+01 -1.07620410e+00 1.71248123e+00\n -2.06255029e+00 -2.05900510e+00 3.14005635e+00 -1.90173985e+00]\",[-80.26836431],58929,372,Optimization terminated successfully.,True,379,2.37280662085714,5u7m,53.61669034338937,6.739999771118164,30,6,\"[(1, 3, 0, 24), (10, 24, 0, 3), (2, 1, 3, 0), (6, 5, 26, 4), (17, 16, 15, 25), (11, 25, 15, 16)]\"\n\"[ 0.18132638 -2.4993559 -1.86430099 0.12789423 23.95189239 77.27072181\n -1.79788682 -1.43619034]\",-34.52798117885304,12653,81,Optimization terminated successfully.,True,157,0.7660409895832775,5mpz,14.92450930700126,4.070000171661377,14,2,\"[(1, 5, 4, 10), (5, 4, 12, 0)]\"\n\"[-1.6066579 -0.53685913 0.98840163 9.40613894 8.53107954 40.2650704\n -2.93054157 2.56990736 -0.83462662 0.44534616]\",[-51.53324256],18455,118,Optimization terminated successfully.,True,263,1.1202832710692125,2y2j,52.122190313251174,4.800000190734863,14,4,\"[(1, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12)]\"\n\"[ 0.05647476 1.78997589 -1.45979292 -3.55642518 8.52406291 12.91229904\n -0.95889284 -0.3708922 -1.2046194 -1.27322127 -1.03241227 -2.40240639\n -1.61918745]\",[-150.08592842],36796,225,Optimization terminated successfully.,True,356,2.2691497230814175,3m3x,140.56196434047797,6.820000171661377,24,7,\"[(2, 3, 6, 22), (3, 4, 17, 18), (0, 5, 20, 21), (3, 6, 22, 23), (8, 7, 23, 22), (9, 10, 13, 14), (7, 23, 22, 6)]\"\n\"[ 2.93826410e+00 -7.95849720e-01 -3.83736379e-02 1.51573489e+02\n -4.83317962e+00 5.53262033e+01]\",[-80.90908416],6497,39,Optimization terminated successfully.,True,185,1.3012739035376614e-05,5aqj,73.00574700424136,2.680000066757202,11,0,[]\n\"[ -3.12288469 1.5729104 -1.50415013 17.13488654 -16.00324\n -14.01428575 -0.88738064 1.96720222 1.80685612 -0.22194633\n -0.74880727 -1.61519706 -1.18217616 0.67544674 -3.09559447\n 1.17852975]\",[-76.20169768],81571,500,Maximum number of iterations has been exceeded.,False,411,3.701052679184347,2pqz,143.8006408097244,5.670000076293945,39,10,\"[(0, 1, 2, 3), (34, 33, 1, 0), (4, 3, 2, 1), (11, 10, 2, 1), (5, 4, 3, 2), (10, 14, 15, 16), (14, 15, 16, 17), (26, 25, 15, 14), (19, 18, 16, 15), (27, 26, 25, 15)]\"\n\"[ -1.60314565 0.6889308 0.50920485 6.12780841 -23.7191693\n -15.16238428 -0.38539171 1.05318137 0.28558046 -2.4710274\n -2.87539819 0.11090326]\",[-84.91007001],55744,353,Optimization terminated successfully.,True,312,2.847895202875535,4hwt,77.17262422592042,4.300000190734863,26,6,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 9), (12, 11, 8, 7), (18, 17, 15, 14)]\"\n\"[-1.70237865e-01 7.80572921e-02 7.72685607e-01 2.61407632e+01\n 1.73988407e+02 1.68911845e+01 -7.81784554e-01 -2.56930754e+00\n -9.14738219e-02 2.20041213e+00 -2.91865103e+00 2.73542636e+00]\",[-143.95255556],55133,345,Optimization terminated successfully.,True,581,4.871578084651229,5jjr,124.44287417177958,7.800000190734863,34,6,\"[(1, 0, 28, 29), (4, 10, 23, 21), (2, 24, 10, 4), (12, 11, 21, 5), (5, 21, 23, 10), (31, 30, 27, 0)]\"\n\"[ -1.35358487 0.82304372 2.56151443 14.87458565 -13.40895882\n 23.25582778 -1.13485335 -0.82550609 1.11543668 -0.81768286\n -1.9349961 1.27559152]\",[-83.15706935],14014,82,Optimization terminated successfully.,True,327,2.494271780695849,1zgv,35.47066009635068,6.0,24,6,\"[(7, 6, 2, 1), (8, 7, 6, 2), (10, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20)]\"\n\"[-0.05607737 1.84688105 -0.44084366 15.32632353 45.09614984 17.76239676\n 1.05942346 -0.66653953 -0.14692322 1.32512246 0.78984452 -1.05650967\n 1.00594144 -1.69504684 2.99891173 -0.8763464 ]\",[-122.18434758],66728,405,Optimization terminated successfully.,True,347,3.2517167988108255,3fed,103.7668906657543,7.460000038146973,20,10,\"[(3, 0, 2, 5), (2, 0, 3, 1), (15, 1, 3, 0), (3, 1, 15, 4), (15, 4, 11, 10), (11, 4, 15, 1), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 4), (4, 11, 12, 13)]\"\n\"[ 0.91334252 1.47174373 0.40973733 6.56759645 -6.22346511 -3.90139683\n 2.31589018 -0.31663039 2.37963132 2.56327595 1.9677726 -2.08217621\n -1.14806126]\",[-61.73254817],78912,500,Maximum number of iterations has been exceeded.,False,428,4.109733730496313,6evq,15.563140128445873,2.0,22,7,\"[(8, 3, 1, 14), (3, 1, 14, 15), (0, 10, 5, 7), (17, 12, 15, 4), (18, 17, 12, 15), (1, 14, 15, 4), (2, 18, 17, 12)]\"\n\"[-1.01737186 -0.93316064 -1.77785777 11.68176544 7.75049074 13.71049634\n 0.07001971 1.54071398 2.05933974 3.13774225 -3.06493952 0.41108503\n -0.89881719 -0.25500404]\",[-163.57908355],22439,130,Optimization terminated successfully.,True,346,2.680344606619118,2vwv,133.17988411976683,4.800000190734863,29,8,\"[(3, 2, 1, 0), (7, 6, 5, 4), (8, 7, 6, 5), (13, 12, 11, 10), (14, 13, 12, 11), (14, 15, 16, 17), (15, 18, 19, 20), (18, 21, 22, 23)]\"\n\"[-1.02289169 1.36011617 2.72244515 19.92674377 4.61842646 8.65036715\n -1.15712519 0.49877152 0.88724151]\",[-40.03235396],30027,188,Optimization terminated successfully.,True,181,1.7281994118252382,4old,23.677556137003155,2.700000047683716,14,3,\"[(0, 1, 3, 4), (6, 5, 3, 1), (6, 10, 11, 12)]\"\n\"[-0.95170791 2.53777566 -0.08360715 4.7117889 -9.31223663 -3.12020352\n -0.5556664 -1.30782257 0.28843642]\",[-126.92976193],17518,105,Optimization terminated successfully.,True,256,1.26887787705793,5i29,129.1457824049812,7.820000171661377,22,3,\"[(0, 18, 1, 19), (18, 1, 20, 2), (4, 17, 5, 7)]\"\n\"[ -0.33965208 2.22505674 1.4269168 -11.59078135 35.98218862\n 24.39458413 0.37537638 2.73317617 -2.48403363 -0.8792342 ]\",[-81.41453646],24305,157,Optimization terminated successfully.,True,464,1.5536425734680863,4n4v,78.91058811182288,8.699999809265137,33,4,\"[(7, 6, 5, 0), (15, 14, 13, 6), (21, 20, 17, 16), (26, 31, 22, 21)]\"\n\"[ 1.36375571 -2.5054425 -0.76137549 -58.31265639 9.36226501\n -2.04100993 3.01278821 -0.14051016 -0.62164148 0.17642714]\",[-228.50371497],15353,96,Optimization terminated successfully.,True,373,1.3293519542970473,3fup,213.5701684361237,7.659999847412109,23,4,\"[(1, 0, 12, 13), (1, 5, 7, 6), (5, 7, 8, 9), (15, 14, 12, 0)]\"\n\"[ 1.34571017 -2.20981729 1.27526933 16.00701657 24.03141986 17.23436187\n 0.59727193 -0.58887089 0.36793798 2.13505202 2.12643029 0.04511323\n 2.21994595 -1.32345269 0.89513321 1.16468856 -1.08878826 2.71220651\n -1.99616683 -0.75935968]\",[-90.18086085],82134,500,Maximum number of iterations has been exceeded.,False,431,5.257882062606682,3djk,231.80372668646874,10.59000015258789,38,14,\"[(3, 0, 1, 2), (4, 5, 8, 9), (5, 8, 11, 12), (8, 11, 12, 13), (8, 11, 16, 17), (11, 12, 13, 14), (11, 16, 17, 18), (16, 17, 19, 20), (17, 19, 20, 21), (37, 31, 19, 17), (19, 20, 21, 22), (24, 23, 21, 20), (25, 24, 23, 21), (32, 37, 31, 19)]\"\n\"[ -2.88881721 0.86284808 -2.48700037 -31.10137217 7.53703997\n -25.4851761 1.77105807 -2.71373505 -2.63404741]\",-59.74615133350714,26220,169,Optimization terminated successfully.,True,220,1.460075989798325,3fj7,47.862667807099086,3.7100000381469727,10,3,\"[(1, 0, 3, 4), (0, 3, 5, 6), (3, 5, 6, 7)]\"\n\"[ 0.53373895 2.45295487 1.39143882 33.96476975 22.60098903 27.89849091\n -2.3251845 2.54214462]\",[-141.7154798],9680,57,Optimization terminated successfully.,True,316,0.7085176434773727,3l79,123.9141763458395,2.4600000381469727,19,2,\"[(13, 1, 0, 2), (7, 9, 11, 12)]\"\n\"[ -1.09218587 -0.89386661 -2.16429538 -24.13287068 -13.70012379\n -11.37172932 2.76385463 2.38921025 2.64261432 -1.23546501]\",-148.17931249567346,17631,115,Optimization terminated successfully.,True,296,1.120907121655905,6f3g,129.92364659159682,7.159999847412109,22,4,\"[(12, 13, 1, 0), (6, 18, 5, 12), (5, 18, 6, 7), (8, 19, 20, 11)]\"\n\"[ -2.52131205 0.14463432 -2.1586992 -5.79588282 -12.39377393\n 15.2224089 3.00166718 -2.76943958 0.17448677 -1.71144885\n 1.55791362]\",[-206.57939724],46520,295,Optimization terminated successfully.,True,349,1.4565230185962779,5xvg,184.25169975012489,8.050000190734863,29,5,\"[(10, 22, 0, 1), (25, 14, 5, 3), (0, 22, 10, 11), (11, 12, 13, 20), (15, 25, 14, 5)]\"\n\"[ 1.20798952 -2.57051221 -2.35233184 82.16778469 66.61340063 52.28705273\n 1.68132278 -3.07989333 -0.28569442 -0.63254701 0.62964408]\",[-71.01998461],33912,215,Optimization terminated successfully.,True,400,1.665817196541542,5cr7,18.231385122456846,3.0999999046325684,29,5,\"[(1, 2, 7, 15), (10, 15, 7, 2), (11, 10, 15, 7), (11, 21, 16, 17), (17, 27, 22, 23)]\"\n\"[ 2.37292068 0.22280309 0.12926071 18.03070218 125.18781854\n 3.7206932 0.4138161 0.82802814 0.9223102 -1.28186292\n 0.86348738]\",[-75.65705718],55712,355,Optimization terminated successfully.,True,378,1.6692471178889399,1s63,27.592072160280534,9.050000190734863,29,5,\"[(5, 2, 0, 1), (8, 5, 2, 0), (15, 11, 7, 4), (17, 12, 8, 5), (20, 17, 12, 8)]\"\n\"[ -0.48186139 1.28990937 1.43294852 87.68191806 -7.21135024\n -10.83663037 -0.84307846 2.2322998 -1.09031415 -2.06683553]\",-75.95221754987801,20031,131,Optimization terminated successfully.,True,218,1.3192988550085205,1ii5,69.38018297188346,6.619999885559082,10,4,\"[(0, 1, 4, 5), (0, 1, 2, 3), (1, 4, 5, 6), (4, 5, 6, 8)]\"\n\"[ -1.86028231 -2.16447152 0.07534082 -26.3709008 -21.71126923\n 27.06423656 -2.43278139 -3.11147039 2.00981986 1.07215245\n -1.20968898 -1.72431216 -1.09112738 -1.38976691 -0.70316907\n 2.0967031 2.59141942 -3.0356245 2.36904139 -0.20196999\n 1.44078188 0.55508722 -3.10365149 -0.22204058 -0.70675261\n -0.64938408 2.55550512 -1.52584724 -1.3219617 -0.9885201\n 0.47930194 0.11066786 1.98891787 0.14482381 1.40839093\n -2.67819521 2.73221411 0.42192238 1.09232103 -2.90330071\n -0.65114977 1.40396003 0.12911458 -2.31350485]\",[-120.96292811],90786,500,Maximum number of iterations has been exceeded.,False,1186,7.812143145709107,3tjh,250.03705514489974,5.409999847412109,80,38,\"[(0, 1, 2, 3), (0, 1, 4, 5), (7, 6, 2, 1), (6, 7, 8, 9), (7, 8, 13, 14), (8, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (14, 15, 21, 22), (14, 17, 18, 19), (15, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 29, 30), (22, 25, 26, 27), (23, 29, 30, 31), (29, 30, 31, 32), (29, 30, 33, 34), (30, 31, 35, 36), (31, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 43, 44), (36, 39, 40, 41), (37, 43, 44, 45), (43, 44, 45, 46), (48, 47, 44, 43), (44, 45, 57, 58), (49, 48, 47, 44), (45, 57, 58, 59), (57, 58, 59, 60), (62, 61, 58, 57), (58, 59, 71, 72), (63, 62, 61, 58), (59, 71, 72, 73), (71, 72, 73, 74), (71, 72, 75, 76), (72, 75, 76, 78)]\"\n\"[-1.09472945 -0.79234759 3.1010848 23.74065164 6.04299993 27.18421035\n -1.56906046 2.88912237 -0.11308897 2.30996768 -1.49787737 -2.94760586\n -2.58354528 0.06187328 1.85994711 -2.55164776 2.64051681 -1.09950944\n -1.36209152 -1.08366109 0.60833295]\",[-79.5678778],85224,500,Maximum number of iterations has been exceeded.,False,458,4.414050624164249,6fiv,96.82082226633722,8.079999923706055,33,15,\"[(3, 0, 1, 2), (4, 3, 0, 1), (1, 0, 10, 12), (5, 4, 3, 0), (0, 10, 12, 11), (14, 11, 12, 10), (12, 11, 14, 15), (12, 11, 17, 18), (11, 17, 18, 19), (17, 18, 20, 21), (18, 20, 22, 23), (20, 22, 23, 24), (22, 23, 25, 26), (27, 26, 25, 23), (28, 27, 26, 25)]\"\n\"[ 2.97468321 -2.59469871 2.32281041 42.0402614 12.38110533 30.52058727\n -0.76779804 -2.64697271 -0.84176941 -0.06495404]\",[-58.2672303],27466,178,Optimization terminated successfully.,True,423,3.088687935506969,1t4e,63.39275106167656,7.099999904632568,32,4,\"[(3, 4, 7, 8), (4, 7, 8, 9), (12, 11, 7, 4), (26, 25, 24, 11)]\"\n\"[-0.24475754 -0.45475472 -0.2548238 22.33543684 -3.52705136 14.03650827\n 3.10599274 2.39101259 -0.93553424 -1.27173383]\",[-163.85006777],10554,61,Optimization terminated successfully.,True,410,1.304325986757487,2qcn,140.6724658385594,5.0,21,4,\"[(9, 8, 0, 1), (11, 12, 15, 16), (12, 15, 16, 17), (15, 16, 17, 18)]\"\n\"[ -2.52390449 1.77260525 -2.61552442 62.26038343 -136.57481049\n 38.51620606 2.39109945 2.08369259 -0.32876905 2.43038131\n -1.13326153 -1.80490808 1.97216939 -1.36338721 -0.45654146\n -0.17348404 -2.99977072]\",[-99.11862356],78651,500,Maximum number of iterations has been exceeded.,False,362,2.192442097722898,4qvm,99.80615940357774,6.349999904632568,28,11,\"[(0, 1, 6, 7), (1, 6, 8, 9), (6, 8, 9, 10), (11, 10, 9, 8), (8, 9, 17, 18), (12, 11, 10, 9), (9, 17, 19, 20), (17, 19, 20, 21), (19, 20, 21, 22), (19, 20, 25, 26), (20, 21, 22, 23)]\"\n\"[ 3.35038496e-01 4.45094304e-01 1.57579485e+00 -2.46606379e+01\n 1.02295863e+02 2.52593092e+01 -2.75586430e+00 -5.95415908e-01\n -2.55922601e+00 2.63586592e+00 -1.02111392e+00 -5.09785968e-01\n 7.24582591e-01 -1.65872330e+00 8.21681049e-02 -9.53076136e-01\n 2.06537587e-02]\",[-41.64837823],77679,500,Maximum number of iterations has been exceeded.,False,182,2.7610247341086347,1fpp,39.98183511517774,8.0,24,11,\"[(2, 0, 1, 16), (1, 0, 2, 3), (0, 1, 16, 17), (2, 3, 5, 6), (3, 5, 6, 7), (5, 6, 7, 8), (7, 8, 10, 11), (8, 10, 11, 12), (10, 11, 12, 13), (1, 16, 19, 20), (16, 19, 20, 21)]\"\n\"[-1.36809023 -2.6452974 0.46809043 29.32722729 -0.93844838 53.02939881\n 0.26326761]\",[-54.24092091],11212,69,Optimization terminated successfully.,True,407,2.094188746605311,2qn2,34.484474994647556,4.550000190734863,34,1,\"[(13, 14, 15, 16)]\"\n\"[ 1.73098982e+00 -1.08215164e+00 5.92931594e-02 -1.30259216e+00\n -1.06756758e+01 6.89502428e+01 -1.89139000e+00 2.70686330e+00\n -2.31666984e+00]\",[-154.86317754],25121,156,Optimization terminated successfully.,True,326,0.9089455354707116,5u12,134.00293028811933,5.070000171661377,20,3,\"[(2, 4, 11, 19), (13, 10, 19, 11), (10, 19, 11, 4)]\"\n\"[ 0.97476267 1.94249199 -2.9521661 -36.5863246 38.16296001\n -24.02197608 -0.21578693 2.78575128 0.29052155 0.41277974]\",[-72.46712338],33109,211,Optimization terminated successfully.,True,375,1.7475803690491025,3s3o,59.66847131711904,7.570000171661377,30,4,\"[(21, 13, 15, 17), (8, 21, 13, 15), (13, 15, 17, 1), (10, 23, 17, 1)]\"\n\"[-0.66650693 1.23911177 0.95830458 65.23224618 83.49476521 74.67578326\n -0.4226527 2.76164739 -2.07036959 2.00864683 -1.02198703 -3.04177852\n -0.82866692 -0.66282816]\",-152.06349819446916,77469,500,Maximum number of iterations has been exceeded.,False,492,1.8818773798562436,5f5z,158.68805736845314,7.070000171661377,36,8,\"[(3, 16, 0, 15), (24, 23, 4, 8), (28, 6, 27, 26), (13, 12, 11, 10), (14, 13, 12, 11), (5, 24, 23, 4), (5, 25, 26, 27), (25, 26, 27, 6)]\"\n\"[ 2.09630595e+00 -8.46697320e-01 3.49929729e-01 5.09208889e+01\n -1.27184394e+01 3.67957269e+01 -5.96487402e-01 -1.61330489e+00\n 2.53089901e+00 2.18145368e+00 -2.06237225e-01 -2.53993610e+00\n -6.78250165e-01 2.39491562e+00 -2.97430344e-01 2.99736211e+00\n -1.00663311e+00 -2.11910147e+00 -7.31670327e-01 1.53097735e+00\n 1.90794057e+00 -7.39388711e-01 -4.54097793e-01 -2.27413513e+00\n 1.35818749e+00 -1.13821491e+00 7.06132539e-01 -7.04458134e-01\n -2.23478365e+00 -1.86067833e-01 -2.27215720e+00 -1.02331001e+00\n -1.25665354e+00 -1.26754403e+00 1.54704139e-02 1.27895479e+00\n 1.90800146e+00 2.69943249e-01 2.25552060e+00 -6.31652119e-01\n -1.23146456e+00 8.25892225e-01 -7.22461792e-01 2.18385836e+00\n -1.06826284e+00 -1.42162342e+00 -1.76251528e+00]\",[-199.05600338],97932,500,Maximum number of iterations has been exceeded.,False,1190,7.517116633004991,3hg1,215.01525884488535,4.739999771118164,69,41,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 17, 18), (10, 13, 14, 15), (11, 17, 18, 19), (17, 18, 19, 20), (18, 19, 22, 23), (19, 22, 23, 24), (22, 23, 24, 25), (23, 24, 26, 27), (24, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 34, 35), (27, 30, 31, 33), (28, 34, 35, 36), (34, 35, 36, 37), (35, 36, 38, 39), (36, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (39, 40, 46, 47), (39, 42, 43, 45), (40, 46, 47, 48), (46, 47, 48, 49), (46, 47, 50, 51), (47, 48, 54, 55), (47, 50, 51, 52), (48, 54, 55, 56), (54, 55, 56, 57), (54, 55, 58, 59), (55, 56, 61, 62), (56, 61, 62, 63), (61, 62, 63, 64), (61, 62, 65, 66)]\"\n\"[ 1.08126911 1.38819547 1.31841603 -10.6833564 15.51972073\n -16.55624829 0.44138256 0.66661934 1.66061118 -1.07094213\n 2.48892979]\",[-58.85685811],67210,426,Optimization terminated successfully.,True,233,2.5008163789681257,5orw,24.45117882374651,3.0999999046325684,18,5,\"[(15, 6, 7, 8), (9, 15, 6, 7), (6, 7, 8, 12), (2, 13, 8, 7), (1, 9, 15, 6)]\"\n\"[-1.60609815e+00 -2.66218287e+00 -1.55979615e+00 2.93172297e+01\n 4.68720699e+01 -3.38496568e+00 2.12796748e+00 1.23282410e+00\n -1.16062585e+00 -4.84591661e-01 3.38375748e-02 3.00044734e+00]\",[-130.70179377],26858,166,Optimization terminated successfully.,True,294,2.0345677612240722,2vr4,107.93708183586801,5.679999828338623,17,6,\"[(14, 0, 12, 11), (12, 0, 14, 13), (3, 4, 5, 10), (15, 13, 14, 0), (16, 15, 13, 14), (1, 16, 15, 13)]\"\n\"[ 2.91281327e+00 1.14488305e+00 -1.79783629e+00 3.81157372e+01\n 5.80269735e+01 4.44606521e+01 6.68081704e-01 -3.83445074e-01\n -2.44638826e+00 -2.71844778e+00 -4.76403868e-01 1.12635531e+00\n -1.29800534e+00 1.14389290e+00 -2.96183981e+00 2.18760301e+00\n -1.55833764e+00 -1.61117702e-01 -1.87692342e+00 -2.01445007e+00\n -1.13442950e+00 2.41938591e+00 2.82735727e+00 1.77635813e+00\n -2.01357398e-01 -1.58130302e+00 2.63909038e+00 -3.00790770e+00\n 2.96444161e-01 3.49440808e-01 1.74876088e+00 -4.65356820e-03\n -1.95954369e+00 1.52150720e+00 -2.05562958e-01 -1.24394170e+00\n 7.02627932e-01 2.59720468e-01 1.78816655e+00 6.71064318e-01\n 1.68397531e+00 -8.93633812e-01]\",[-75.12296895],85587,500,Maximum number of iterations has been exceeded.,False,737,6.216990019196021,1iq1,61.13028440157259,7.460000038146973,60,36,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 9), (5, 6, 9, 10), (5, 6, 7, 8), (6, 7, 13, 14), (6, 9, 10, 11), (7, 13, 14, 17), (13, 14, 17, 18), (13, 14, 15, 16), (14, 15, 22, 23), (14, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (15, 22, 23, 26), (22, 23, 26, 27), (22, 23, 24, 25), (23, 24, 33, 34), (23, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30), (24, 33, 34, 37), (33, 34, 37, 38), (33, 34, 35, 36), (34, 35, 44, 45), (34, 37, 38, 39), (37, 38, 39, 40), (38, 39, 40, 41), (35, 44, 45, 48), (44, 45, 48, 49), (44, 45, 46, 47), (45, 46, 52, 53), (45, 48, 49, 51), (46, 52, 53, 56), (52, 53, 56, 58), (52, 53, 54, 55)]\"\n\"[ 1.08429509 -0.36273387 2.66844966 25.11543566 -0.13074507 12.36517331\n 2.1947032 -0.07895308 1.562534 0.21390653 0.40721522 2.87216909\n -0.47374002 0.17369911 2.63279182 -1.9795038 1.65437317 0.14850893\n 0.52098248 2.39530624 -0.84391755 -3.07752734 -3.03605561 -0.83697522\n -0.5598383 -1.51445179 0.43629429 -0.28966648 1.29669032 -1.56054686\n 2.71480287 2.58767368 2.9775382 -2.81587723 -2.85436357 -1.55917946\n -1.8662258 ]\",[-86.75536432],93939,500,Maximum number of iterations has been exceeded.,False,824,4.124755068221472,2p3b,212.72999496380456,8.479999542236328,66,31,\"[(14, 0, 1, 3), (1, 0, 14, 10), (0, 1, 3, 7), (5, 4, 1, 0), (24, 2, 13, 14), (13, 2, 24, 22), (1, 3, 57, 49), (6, 5, 4, 1), (2, 13, 14, 0), (2, 13, 15, 59), (61, 18, 23, 24), (23, 18, 61, 62), (18, 23, 24, 2), (26, 27, 28, 29), (26, 27, 36, 37), (30, 29, 28, 27), (31, 30, 29, 28), (27, 36, 37, 38), (36, 37, 39, 40), (37, 39, 41, 42), (39, 41, 42, 43), (41, 42, 43, 44), (41, 42, 46, 47), (42, 46, 48, 49), (46, 48, 49, 50), (51, 50, 49, 48), (48, 49, 57, 3), (52, 51, 50, 49), (18, 61, 63, 64), (65, 64, 63, 61), (16, 65, 64, 63)]\"\n\"[-1.86444715 0.79671604 1.90201434 -0.72413216 11.55814329 1.86980474\n 1.19317827 0.87567959 -2.14495371 0.02349974 -0.2789419 ]\",[-90.4854546],35638,222,Optimization terminated successfully.,True,374,3.0984864438251964,5kqg,51.548269397368635,5.150000095367432,23,5,\"[(0, 1, 4, 5), (1, 4, 5, 6), (18, 17, 4, 1), (8, 7, 5, 4), (9, 8, 7, 5)]\"\n\"[ 1.93093241 1.70169715 0.77693645 -3.65936176 42.56373064 12.98951749\n -1.89401482 1.23872074 0.81145616 2.43162421 1.71993495 -2.43226554\n -0.27429754 -2.84828378 0.05394779 -0.17818041 -2.31286883 2.21272593\n -1.15607046 -0.39153121 0.38185511 1.53730877 2.67271623 2.9841799\n 0.93436748 0.34709739 -1.87957314 -0.25833482 2.0335661 2.10253354\n -2.05030985 -0.79333548 1.51781097 -0.93034265 0.75261759 0.38240179\n 3.09896038 0.12625464 -0.38111319 -1.6703561 -1.02903305 -1.919698\n 0.50604119 -1.52711887 -1.80465919 1.60819098 -2.78040361 1.82628378\n -1.00079514 1.83000286 2.16222059 -1.917124 -1.82993005 0.62684\n 0.52844562 -1.07844738 0.76226343 -2.75284963]\",[-80.10640411],90714,500,Maximum number of iterations has been exceeded.,False,1198,6.8375616996851,4yyn,168.9805124266071,3.9600000381469727,78,52,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (7, 8, 10, 11), (8, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 21, 22), (11, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (12, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26), (23, 25, 26, 27), (25, 26, 27, 28), (25, 26, 37, 38), (26, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 34, 35), (26, 37, 39, 40), (37, 39, 40, 41), (39, 40, 41, 42), (40, 41, 43, 44), (41, 43, 44, 45), (43, 44, 45, 46), (44, 45, 47, 48), (45, 47, 48, 49), (47, 48, 49, 50), (47, 48, 59, 60), (48, 49, 50, 51), (49, 50, 51, 52), (50, 51, 52, 53), (51, 52, 53, 54), (52, 53, 54, 55), (53, 54, 56, 57), (48, 59, 61, 62), (59, 61, 62, 63), (61, 62, 63, 64), (62, 63, 65, 66), (63, 65, 66, 67), (65, 66, 67, 68), (65, 66, 69, 70), (66, 67, 73, 74), (66, 69, 70, 71), (67, 73, 74, 75), (73, 74, 75, 76)]\"\n\"[ 2.02920059 -2.6940346 0.44887844 1.03758152 24.27068858\n -36.10065208 -2.02533736 -0.20221159 0.88161972 -2.31467692\n -1.5684874 -0.515772 1.626977 0.41344726 1.08445616\n -2.00426458 0.80196778 -0.23896896]\",[-65.07481688],82302,500,Maximum number of iterations has been exceeded.,False,519,3.3329369205791863,6bh8,46.944262987057606,5.119999885559082,37,12,\"[(2, 0, 1, 11), (0, 1, 11, 12), (1, 11, 14, 15), (11, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (15, 16, 22, 23), (15, 18, 19, 20), (16, 22, 23, 24), (22, 23, 24, 25), (27, 26, 23, 22), (28, 27, 26, 23)]\"\n\"[ 0.09719529 1.65523788 2.53805931 -6.89297104 -13.81770392\n 10.13445926 -2.26058132 1.54424004 -2.84868274 2.591404\n 2.20556815 -2.47354542 -0.02323594 -0.22694421 -1.03971038\n -0.43962244 -0.04811174 -0.05633162 0.85917841]\",[-83.48145934],78092,500,Maximum number of iterations has been exceeded.,False,573,2.5677638934945413,2q1l,128.79726889260763,7.909999847412109,42,13,\"[(1, 0, 3, 7), (0, 1, 4, 5), (11, 24, 2, 1), (1, 4, 5, 22), (4, 5, 22, 6), (22, 6, 20, 19), (20, 6, 22, 5), (16, 17, 19, 20), (17, 19, 20, 6), (0, 29, 36, 37), (32, 31, 30, 2), (39, 38, 36, 29), (9, 39, 38, 36)]\"\n\"[-2.72255528 2.60174845 -1.61544731 -4.413309 -7.71847062 4.14203551\n 2.85241756 2.19418286 -0.38727385 -1.97564049 0.49564262 -0.82890268\n 0.61193222 0.80241467 0.98462349 1.77541564]\",[-126.69513997],81554,500,Maximum number of iterations has been exceeded.,False,536,4.833921397498007,1kjr,99.14441451589785,6.059999942779541,40,10,\"[(17, 2, 0, 1), (4, 3, 0, 1), (16, 17, 2, 0), (8, 10, 13, 14), (28, 36, 15, 16), (18, 19, 20, 24), (25, 26, 33, 31), (15, 36, 28, 27), (28, 29, 30, 38), (26, 33, 31, 32)]\"\n\"[ 2.5011109 2.00700593 1.59316193 -5.93577459 30.37941788 35.70933089\n -1.68356625 -1.68917449 -0.49640646 -1.06211215 1.18303647 0.3871103\n 0.37822173 -0.59444554 2.30595017 2.51945833 1.60777237]\",[-111.3271125],78237,500,Maximum number of iterations has been exceeded.,False,454,1.6594922767739775,3nsh,141.2665548242942,6.329999923706055,31,11,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (20, 19, 3, 2), (3, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5), (9, 8, 7, 6), (9, 10, 13, 14), (10, 13, 14, 15), (21, 20, 19, 3)]\"\n\"[ 2.4692863 -2.46233957 1.3940542 83.76363783 -13.31729266\n 67.07692272 1.02601223 -2.9682669 0.47357734]\",[-65.23616427],18986,121,Optimization terminated successfully.,True,197,1.2999937838301023,1egh,54.80105533213515,5.699999809265137,9,3,\"[(4, 0, 1, 5), (0, 1, 5, 6), (1, 5, 6, 8)]\"\n\"[ 0.11116934 1.44535536 -0.1591863 23.92488547 3.21127448 10.96590764\n -1.23765146 1.39239078 -1.6860826 -2.9814978 ]\",[-140.2772432],60975,400,Optimization terminated successfully.,True,255,2.9036095102474273,5o4s,134.32715187269966,5.46999979019165,34,4,\"[(5, 12, 3, 2), (3, 4, 14, 33), (10, 9, 33, 14), (9, 33, 14, 4)]\"\n\"[ -0.2488927 2.40205883 1.19951471 -16.95181055 31.59063802\n 4.54016072 -0.10277502 -1.20752203 0.97357106 -2.92531975\n -2.48184772 0.10529171]\",[-78.42017537],23127,139,Optimization terminated successfully.,True,300,1.131930691899724,4nw7,68.47390925149928,6.630000114440918,27,6,\"[(4, 3, 1, 0), (5, 4, 3, 1), (11, 10, 9, 6), (12, 11, 10, 9), (15, 14, 13, 12), (21, 20, 19, 17)]\"\n\"[ 2.11206288 -2.96300764 -0.90194732 -16.9427425 2.13556294\n -8.76151073 -2.52818218 1.32680277 0.33491976 1.85217035\n 1.0119882 0.6376242 0.99084977 -0.33074903 2.56860674\n -1.17234449 -1.45725358 1.78697601]\",[-45.81767892],44499,267,Optimization terminated successfully.,True,520,2.5474233891413163,4aro,25.79566140049561,6.800000190734863,36,12,\"[(3, 0, 1, 2), (0, 1, 2, 4), (0, 3, 16, 5), (3, 16, 5, 21), (3, 6, 17, 8), (6, 17, 8, 22), (6, 9, 18, 11), (9, 18, 11, 23), (9, 12, 19, 13), (12, 19, 13, 24), (0, 14, 20, 15), (14, 20, 15, 25)]\"\n\"[ 1.11850752 1.33521328 -1.54761706 1.61611308 10.7418635 22.85942527\n 0.70361364 -0.55287612 -1.80722781 -3.0699078 -1.57118171 -0.39496169]\",[-216.0791955],15470,92,Optimization terminated successfully.,True,407,0.8986050149780239,3owb,187.3499455347441,7.71999979019165,27,6,\"[(3, 2, 1, 0), (9, 8, 7, 4), (8, 9, 10, 11), (9, 10, 12, 13), (10, 12, 13, 14), (19, 18, 17, 8)]\"\n\"[-2.8687696 2.88065453 1.36249969 16.64325643 8.17759449 12.47478797\n 0.36683145 1.02443012 -3.07466454]\",[-126.01119576],22690,139,Optimization terminated successfully.,True,279,1.3591296387352731,3p55,115.8508925090889,7.099999904632568,26,3,\"[(16, 15, 5, 0), (2, 7, 6, 1), (3, 8, 9, 4)]\"\n\"[-1.37922703e+00 9.40269109e-01 1.56263409e+00 1.73265785e+02\n 1.96224015e+02 9.66957255e+01 3.13957936e-01 -2.57808007e-01\n -2.18149765e+00 7.38297607e-01 -7.61756711e-01 2.34670650e+00\n 2.40350679e+00 4.17873756e-02]\",-59.255967180887446,57141,368,Optimization terminated successfully.,True,395,4.790700862206082,3vyd,62.70865263889412,6.389999866485596,31,8,\"[(6, 25, 4, 2), (9, 13, 7, 27), (13, 7, 27, 22), (26, 20, 14, 9), (8, 26, 20, 14), (23, 21, 22, 27), (22, 21, 23, 18), (21, 22, 27, 7)]\"\n\"[-2.31974698 0.48908897 -2.22468149 31.83290276 7.50578991 56.34476118\n 0.5264869 0.40256363]\",[-71.94831725],13382,81,Optimization terminated successfully.,True,246,1.2530230312933768,4pee,64.31822210668713,8.319999694824219,19,2,\"[(7, 6, 5, 0), (12, 11, 10, 7)]\"\n\"[ 0.48454632 -1.14532115 -2.32082796 -8.68556143 -13.8100925\n 2.77932145 -0.85705348 1.14146379 0.51257504 0.97124864\n -1.91597672 -0.83271694 -0.14705558 -0.79429625 0.42677406\n -1.98215436 -1.69268216 -0.46020492 0.20727095 -2.20186351\n -1.90333593 1.57768929 -0.70080765 -0.92511574 0.10962415\n 0.63184777 -0.55727828 2.46507528 1.55828776 -0.80596551\n 0.8653017 -0.83549648 0.65671481 -0.12367285 3.01798527\n -2.22007918 -1.6146333 -1.12619057 0.09700686 1.17970927\n 1.06114971 -0.4823921 ]\",[-112.60808012],85759,500,Maximum number of iterations has been exceeded.,False,825,7.030222055007027,2v88,68.03786465372363,4.090000152587891,63,36,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 16, 17), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (6, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 34, 35), (26, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (26, 34, 36, 37), (34, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 45, 46), (37, 40, 41, 42), (40, 41, 42, 43), (38, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50), (46, 47, 52, 53), (47, 52, 53, 54), (52, 53, 54, 55), (53, 54, 57, 58), (54, 57, 58, 59), (57, 58, 59, 60)]\"\n\"[ 0.85482641 1.0052515 -0.54164928 27.5558911 5.9136369 -6.28322566\n 0.9462369 0.85429679 0.37149454 -0.95009789 2.7702605 -2.8851092\n -0.4866646 2.99522617 3.06222829 0.13870342]\",-132.8804635555912,71237,442,Optimization terminated successfully.,True,386,1.5760700811568928,4w9p,118.15225095472888,7.800000190734863,39,10,\"[(3, 2, 1, 0), (2, 4, 5, 6), (3, 9, 10, 11), (9, 10, 11, 12), (13, 12, 11, 10), (14, 13, 12, 11), (16, 17, 18, 19), (17, 18, 20, 21), (22, 27, 28, 29), (32, 31, 28, 27)]\"\n\"[-1.52727309 0.83566357 1.96138592 11.29724446 24.66808472 17.5351641\n 2.8204697 0.6936184 -2.18167328 -0.12029174 2.63437122 2.01433193\n 0.8801729 1.15352401 1.43882492 1.9736423 -2.19187896 0.08542213\n 0.93018991]\",[-93.30294484],77132,500,Maximum number of iterations has been exceeded.,False,399,5.068208882122296,2f80,228.43381879192526,8.180000305175781,38,13,\"[(3, 4, 7, 8), (4, 7, 10, 11), (7, 10, 11, 12), (7, 10, 15, 16), (10, 11, 12, 13), (10, 15, 16, 17), (15, 16, 18, 19), (16, 18, 19, 20), (37, 31, 18, 16), (18, 19, 20, 21), (23, 22, 20, 19), (24, 23, 22, 20), (32, 37, 31, 18)]\"\n\"[-2.9381148 -2.17562195 -0.50435895 23.959457 7.45327221 12.32925736\n -2.30474985 2.15443008 -1.01597756 0.53066525 1.26025848 -1.06268901\n 2.374346 1.68922275 0.86633112 0.7023354 ]\",[-104.60643357],81877,500,Maximum number of iterations has been exceeded.,False,418,2.9692240583138005,5trj,75.66634953286541,5.920000076293945,32,10,\"[(15, 22, 0, 23), (4, 23, 0, 22), (8, 7, 6, 21), (14, 21, 6, 7), (7, 10, 27, 28), (12, 13, 18, 19), (13, 14, 21, 6), (14, 15, 22, 0), (10, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ 1.4013251 1.83527835 1.33360356 13.43546046 13.20910103 55.19618369\n -1.62357573 -1.44603107 0.53090142 -1.22710401]\",[-43.31195],43542,284,Optimization terminated successfully.,True,226,2.084147659457144,3lk0,26.558578672739234,3.1600000858306885,21,4,\"[(0, 1, 14, 15), (17, 4, 16, 15), (1, 14, 15, 16), (14, 15, 16, 4)]\"\n\"[ 2.52955895 0.26509698 -0.9313873 34.4592242 -2.71681582\n -78.94093939 -1.56328028 -3.08368391]\",[-247.56622293],11477,69,Optimization terminated successfully.,True,333,0.22452316481751858,3g0e,212.29241757296896,7.699999809265137,22,2,\"[(4, 15, 9, 18), (4, 14, 11, 7)]\"\n\"[ 1.25327657 -2.44647247 -1.29593822 -2.47621368 -7.27220873 20.09831792\n -1.21329411 -0.79623175 1.53622566]\",[-66.94333007],23673,150,Optimization terminated successfully.,True,200,1.7529346345078884,4hev,41.37907776551681,6.340000152587891,15,3,\"[(0, 1, 2, 3), (5, 4, 1, 0), (6, 5, 4, 1)]\"\n\"[ -0.36047313 0.58295517 1.35428666 6.45578445 -13.03466875\n 6.3647128 0.08830027 -2.18951848 1.11171291 0.21936049\n 0.08861162 -0.75388705]\",-91.92403781645304,36777,233,Optimization terminated successfully.,True,409,2.7318000849758493,4i0f,92.71851728042688,6.349999904632568,29,6,\"[(6, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (19, 18, 14, 13), (20, 19, 18, 14), (25, 24, 23, 19)]\"\n\"[ 2.28129223 2.75890993 2.5901767 20.33557648 -37.84727084\n -0.35623658 0.16091946 0.07311072]\",-66.85916299389784,17061,110,Optimization terminated successfully.,True,261,0.23824026076888044,4xh6,40.644418403023984,5.570000171661377,22,2,\"[(1, 0, 15, 6), (11, 10, 9, 8)]\"\n\"[ 0.51633157 2.99541006 -1.45964935 15.69723196 12.63375947\n -11.12056294 1.96005621 1.32196653 0.61600213 0.78243962\n -0.2158514 2.17891772 2.86327681 0.61168234 2.8618351\n -0.14525668 1.30497111 2.27032807 0.49498835 0.7101372\n 1.60102582 1.71592905 1.19054953 1.26974741 -0.37456563\n -1.70821122 2.73099529 -0.07707665 2.45544102 -1.6780973\n -1.9856156 1.56456771]\",[-119.5147796],81975,500,Maximum number of iterations has been exceeded.,False,1321,2.7967432597116337,4os4,109.5117085651755,4.869999885559082,104,26,\"[(0, 1, 2, 3), (5, 4, 2, 1), (6, 5, 4, 2), (18, 19, 22, 23), (19, 22, 23, 24), (30, 31, 34, 35), (31, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (51, 52, 55, 56), (52, 55, 56, 57), (55, 56, 57, 58), (60, 61, 64, 65), (61, 64, 65, 66), (73, 72, 69, 68), (74, 73, 72, 69), (78, 79, 82, 83), (79, 82, 83, 84), (82, 83, 84, 85), (83, 84, 85, 86), (89, 90, 91, 92), (90, 91, 95, 96), (91, 95, 96, 97), (95, 96, 97, 98), (95, 96, 99, 100), (96, 99, 100, 101)]\"\n\"[ 2.24827486 0.28181472 -2.53263133 -14.28022391 -32.11741566\n 95.75041206 2.57502353 2.2741034 2.91350764]\",[-119.58027756],11224,67,Optimization terminated successfully.,True,223,0.7612066318632534,5nn6,103.42340139453906,5.519999980926514,14,3,\"[(13, 7, 5, 0), (11, 12, 6, 1), (8, 13, 7, 5)]\"\n\"[ -1.72897875 -0.31780935 0.272064 67.0493252 130.86897912\n 63.1739919 -0.17713068 2.10086424 -2.98829058 -1.59983941\n -2.70120284 -2.28785297]\",-81.82921268157075,30381,192,Optimization terminated successfully.,True,188,1.230314519405263,1p0y,61.247868902447735,1.0,11,6,\"[(0, 1, 2, 3), (0, 1, 8, 9), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7)]\"\n\"[ -2.30282614 -1.80646579 0.75773859 22.14219936 -18.70364755\n 15.65710668 -2.3040253 1.57196139 1.03493628 2.48093471\n 2.37651651]\",[-73.88932445],36942,236,Optimization terminated successfully.,True,546,1.364414327217069,4o0t,90.93816948779337,5.539999961853027,30,5,\"[(0, 1, 2, 3), (1, 2, 3, 4), (5, 4, 3, 2), (6, 5, 4, 3), (15, 14, 13, 5)]\"\n\"[ 1.75485853 0.99870431 1.17606446 -40.35139554 16.50260489\n 21.0760347 0.08550444 2.36586352 1.25155057 2.0741077\n -2.4414758 ]\",[-96.98238575],40290,254,Optimization terminated successfully.,True,449,2.040120705823244,4op1,113.3087112365644,6.889999866485596,29,5,\"[(0, 6, 7, 8), (11, 10, 7, 6), (16, 15, 14, 11), (17, 21, 22, 23), (21, 22, 23, 24)]\"\n\"[ 0.46413495 -2.62716123 -2.7151897 -6.87831225 24.79581168\n -33.73633991 1.61006281]\",-111.06636771586872,15568,99,Optimization terminated successfully.,True,244,0.9106359479411353,4dfu,76.49910964639108,4.599999904632568,22,1,\"[(10, 9, 8, 7)]\"\n\"[-2.46708091 -0.55219832 -0.68526904 15.42926335 -2.8582265 -6.60538152\n -1.91210106 0.79322224 1.14871888 -0.78048086 -1.46202875]\",[-93.22279922],20248,123,Optimization terminated successfully.,True,525,0.9216225309299834,1a4h,112.87393963807834,5.920000076293945,40,5,\"[(15, 16, 1, 33), (16, 17, 2, 34), (17, 2, 34, 3), (21, 22, 5, 37), (26, 27, 6, 39)]\"\n\"[-3.01727787 1.64092755 0.30359559 84.65055014 25.96384973 54.06477738\n -1.0065897 -3.08148458 -1.53591856 -2.35361076 1.64524846]\",[-37.76457537],40288,255,Optimization terminated successfully.,True,296,1.6020185322038671,5g6u,16.815362341786418,6.659999847412109,20,5,\"[(0, 1, 6, 11), (3, 4, 5, 10), (4, 5, 10, 15), (1, 6, 11, 12), (5, 10, 15, 16)]\"\n\"[-0.2389324 -0.66909529 0.20878721 8.63978973 10.77579964 15.77176248\n 0.94611099 1.84102776 1.62879311 1.65057783 -0.3051671 1.71243372\n -2.01748764 1.91985994 -0.10959282 -0.89897046 -2.9940085 1.15567942\n -1.06030863 0.67033824 -1.69027075 -0.89329157 -0.05905071 -0.59691484\n -1.12533081 -1.9353393 1.80269043 1.95462736 0.20299234 0.08385801\n -2.11401914 2.02091419 -0.90188922 0.65236219 -2.50874366 -0.57835145\n -1.24137421 -1.48018899]\",[-83.33936538],79311,500,Maximum number of iterations has been exceeded.,False,702,5.4718338375590125,3v43,72.89422930258179,4.630000114440918,54,32,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 32, 33), (24, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (25, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 41, 42), (33, 36, 37, 38), (36, 37, 38, 39), (34, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51)]\"\n\"[-1.12863631 1.6447367 0.78395794 21.71552751 3.72260903 2.81280023\n 0.34448895 -0.55376996 -1.2616944 0.41035172 -0.98047115 -0.94820558\n -0.34829709 -0.10816851]\",[-110.52725141],77521,498,Optimization terminated successfully.,True,501,5.225524334803594,4n9d,107.90688308190812,7.71999979019165,30,8,\"[(5, 4, 1, 0), (6, 7, 10, 11), (7, 10, 13, 14), (15, 14, 13, 10), (16, 15, 14, 13), (17, 18, 21, 22), (24, 23, 21, 18), (25, 24, 23, 21)]\"\n\"[-1.41813159 -1.59315699 0.72811336 15.11950337 31.22457016 35.60913909\n -0.47036765 2.14031788 0.09210791 1.4969766 -1.44989838 -1.32243487\n 2.89852175 0.57066116]\",-88.33582994837138,75313,486,Optimization terminated successfully.,True,428,2.8711948027665533,1gz4,78.57048041507973,3.700000047683716,31,8,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 11, 8), (9, 8, 11, 4), (9, 8, 12, 13), (14, 13, 12, 8), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n\"[ -1.63464936 2.49206267 2.34111872 52.57794579 -26.26569128\n 31.10786002 -3.0318259 1.58764225 -3.03369517 -0.73951737\n -2.64441645 1.02201189 0.59697439 2.22647844]\",[-121.17729597],77349,485,Optimization terminated successfully.,True,497,1.4534228612807296,6c0n,112.731005159871,8.369999885559082,40,8,\"[(2, 3, 4, 5), (11, 35, 10, 1), (10, 35, 11, 28), (13, 31, 12, 30), (12, 31, 13, 14), (18, 17, 16, 32), (15, 32, 16, 17), (19, 20, 38, 33)]\"\n\"[ 0.37853391 2.04005492 -3.04971183 34.47345938 12.35054098 20.45317607\n -2.76207542 -2.02933211 0.19936881 -1.57409998 -1.72157591 0.84934289\n 0.3646042 -3.02366614]\",[-63.04817558],36730,234,Optimization terminated successfully.,True,349,3.568624866096499,1cet,39.29072494834206,2.890000104904175,22,8,\"[(2, 3, 10, 11), (3, 10, 11, 20), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 18), (14, 15, 18, 19), (14, 15, 16, 17)]\"\n\"[ 1.33811869 2.17443445 -2.03524341 102.4854441 25.0253653\n 0.44960713 -0.47540224 1.11334236 0.20793209 -3.09120368\n -2.10596806 0.85372709]\",[-157.27285438],40781,254,Optimization terminated successfully.,True,382,0.7703577091625194,1a4r,148.31641017821653,6.659999847412109,28,6,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 8, 9), (10, 9, 8, 5), (11, 10, 9, 8), (18, 17, 16, 11)]\"\n\"[ 2.2410272 1.86878855 0.0899728 34.53948232 24.07553954 29.98160404\n -0.95077999 2.81997941 -2.04646206 -1.37911713 -2.74230204]\",[-203.44072876],37884,239,Optimization terminated successfully.,True,474,1.8636028907485385,3l7a,174.080399244494,4.329999923706055,27,5,\"[(14, 1, 0, 2), (3, 16, 7, 19), (16, 7, 19, 20), (8, 10, 12, 13), (22, 21, 19, 7)]\"\n\"[-1.18485754e+00 1.12357277e+00 3.05564475e-01 4.60795426e+02\n 4.33421269e+00 1.23328618e+02 1.13777806e-01 2.14836297e+00\n -1.44049515e+00 6.60401800e-01 2.77783238e+00 1.20495827e+00\n 3.07943159e+00 2.07715176e+00 -2.31054108e+00]\",[-152.62755159],76638,500,Maximum number of iterations has been exceeded.,False,531,1.5766388018784308,5vqs,155.0413747056029,5.699999809265137,36,9,\"[(0, 1, 24, 4), (1, 24, 4, 25), (26, 25, 4, 24), (20, 23, 7, 8), (10, 11, 34, 17), (3, 17, 18, 19), (11, 34, 17, 3), (7, 23, 20, 1), (5, 26, 25, 4)]\"\n\"[ 0.82601072 -2.10222479 -1.62389596 -7.47822738 2.83382629 -0.74208146\n -2.84914867 0.55495518 -0.00880671 -1.01308914 0.34251104 1.98743591\n -1.73675875 -2.46571054 -0.27947697 -0.94699407 -1.69208297 1.71251088\n -0.64560993 0.74828806 0.56846297 -1.50124167 2.38881288 -1.20242439]\",[-104.56391943],87293,500,Maximum number of iterations has been exceeded.,False,614,2.619459042528457,3d91,136.7877833026937,9.149999618530273,44,18,\"[(0, 1, 3, 4), (0, 1, 7, 8), (1, 7, 8, 9), (10, 9, 8, 7), (7, 8, 16, 17), (11, 10, 9, 8), (8, 16, 18, 19), (16, 18, 19, 20), (21, 20, 19, 18), (18, 19, 26, 27), (22, 21, 20, 19), (19, 26, 28, 29), (26, 28, 29, 30), (28, 29, 30, 31), (38, 37, 29, 28), (33, 32, 30, 29), (34, 33, 32, 30), (39, 38, 37, 29)]\"\n\"[ 2.37888596e+00 -1.22529168e+00 1.15529039e+00 1.69990186e+01\n 1.91937982e+01 5.13377511e+01 4.76318046e-01 5.43394850e-01\n 2.62335077e+00 -1.77635958e-01 2.52089234e-01 -2.47638787e+00\n -1.74784794e+00 5.75336531e-01 -2.08201252e+00 -1.31351675e+00\n 7.61480911e-01 -2.11952721e+00 2.35066375e+00 -1.80840460e+00\n 1.86911671e+00 -3.03489759e+00 2.04518918e+00 3.32293268e-01\n -7.26194310e-01 -2.31515731e+00 -1.16582630e+00 -3.04528775e+00\n -4.89437330e-03 2.04678181e+00 -4.69374907e-01 3.18817239e-01\n -1.83492468e+00 -1.33915313e+00 5.01808136e-01 -1.32831303e+00\n -2.17436070e+00 2.45765870e+00 -1.55855391e+00 -5.87150853e-01\n 1.38786578e+00 -1.29740514e+00 1.89012555e+00 -1.96041421e-01\n -1.01061315e+00 -2.01782553e+00 -2.61520824e+00 -2.87892376e+00\n -9.95639393e-01 -1.06168799e+00 1.68184942e+00 -1.41709085e+00\n 9.02076069e-01 -1.83751406e+00 1.23542910e+00 -1.40935886e+00\n -2.54241402e+00 -3.03303217e+00 2.85857122e+00 1.20358905e+00\n 5.54715105e-01 1.34969230e+00 -2.77937740e+00 1.98834229e-01\n -1.53031412e-01]\",[-101.69913389],107463,500,Maximum number of iterations has been exceeded.,False,1058,6.203091178589538,2ivz,146.2050838167709,6.039999961853027,110,59,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 8), (4, 5, 6, 7), (5, 6, 9, 10), (6, 9, 10, 13), (9, 10, 13, 14), (9, 10, 11, 12), (10, 11, 15, 16), (11, 15, 16, 19), (15, 16, 19, 20), (15, 16, 17, 18), (16, 17, 23, 24), (16, 19, 20, 21), (17, 23, 24, 25), (23, 24, 25, 26), (24, 25, 27, 28), (25, 27, 28, 31), (27, 28, 31, 32), (27, 28, 29, 30), (28, 29, 33, 34), (29, 33, 34, 35), (33, 34, 35, 36), (34, 35, 37, 38), (35, 37, 38, 41), (42, 41, 38, 37), (37, 38, 39, 40), (38, 39, 51, 52), (43, 42, 41, 38), (39, 51, 52, 55), (51, 52, 55, 56), (51, 52, 53, 54), (52, 53, 57, 58), (53, 57, 58, 61), (57, 58, 61, 62), (57, 58, 59, 60), (58, 59, 63, 64), (59, 63, 64, 67), (63, 64, 67, 68), (63, 64, 65, 66), (64, 65, 72, 73), (64, 67, 68, 69), (67, 68, 69, 71), (65, 72, 73, 76), (72, 73, 76, 77), (72, 73, 74, 75), (73, 74, 80, 81), (73, 76, 77, 79), (74, 80, 81, 84), (80, 81, 84, 85), (80, 81, 82, 83), (89, 88, 82, 81), (81, 84, 85, 87), (92, 89, 90, 91), (89, 90, 95, 96), (90, 95, 96, 99), (100, 99, 96, 95), (95, 96, 97, 98), (101, 100, 99, 96)]\"\n\"[ 0.09581473 0.24339925 -3.10547226 32.26803183 51.01739662 55.35828391\n -1.51410135 -0.8781856 2.85561158 2.41605651 -1.36998924 3.02292641\n -2.97110505 0.458598 0.87823154 0.23208568 1.46846959 -0.60757403\n -1.33635165 -2.43490528 1.70839421 -1.15717507 2.00924813 -0.95780258\n -1.70002456 -0.15365347 1.07676885 -0.4896235 0.99209487 0.57221915\n 2.14948425 1.07972885 -1.14061731 0.14562443 0.22088197 1.06244508\n -0.83013446 0.33017693 -0.28824414 -0.0912428 0.2027714 1.268266\n -1.86270212 1.32120482 0.98421935 -1.03200684 -2.19456998 1.73425232\n -0.06259714]\",[-85.26571941],101096,500,Maximum number of iterations has been exceeded.,False,1008,7.025374578671927,2xef,196.21841193761065,9.84000015258789,64,43,\"[(0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (4, 5, 9, 10), (5, 9, 10, 11), (9, 10, 12, 13), (10, 12, 13, 14), (12, 13, 14, 15), (12, 13, 17, 18), (13, 17, 18, 19), (17, 18, 19, 20), (21, 20, 19, 18), (22, 21, 20, 19), (22, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (33, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (36, 37, 38, 39), (37, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 44), (42, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47), (45, 46, 47, 48), (46, 47, 48, 49), (47, 48, 49, 50), (48, 49, 50, 51), (52, 51, 50, 49), (53, 52, 51, 50), (54, 55, 56, 57), (52, 60, 61, 62)]\"\n\"[ 1.86685547 1.00956823 2.35175294 38.66634534 15.67552169\n -14.37299542 0.05088287 -1.02936341 -1.52768461 2.72588057\n -2.83986031 -2.15197404 1.77261916 -1.63228824 1.88037592]\",[-100.25926887],44828,289,Optimization terminated successfully.,True,350,1.991796549159161,4zla,65.91146435476735,7.300000190734863,22,9,\"[(3, 2, 1, 0), (0, 1, 9, 10), (4, 3, 2, 1), (1, 9, 11, 12), (9, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 16), (13, 14, 19, 20), (14, 15, 16, 17)]\"\n\"[ 1.82984721 -1.29772636 0.62947089 7.63928225 -16.14597232\n 19.9666173 -2.97412013 -2.99761623 0.56545452 -2.97530169\n 0.05075107]\",[-143.64203565],55650,356,Optimization terminated successfully.,True,286,1.2135152893146381,1swp,128.34891098183584,11.0,16,5,\"[(2, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (7, 6, 5, 4), (15, 7, 6, 5)]\"\n\"[ 2.31711409 -1.42333059 2.30146902 24.42430422 -21.05355547\n -16.60075276 0.36024909 3.11606533 0.31330183 -1.84709032\n 2.73668569 -0.75393276 2.04057965 0.71318206]\",[-168.68050957],70241,448,Optimization terminated successfully.,True,376,2.3214698602780244,5mpk,173.56327499276142,8.520000457763672,31,8,\"[(19, 29, 10, 0), (2, 13, 11, 1), (6, 14, 12, 25), (18, 25, 12, 14), (5, 17, 15, 6), (23, 20, 16, 7), (9, 18, 25, 12), (3, 19, 29, 10)]\"\n\"[-2.13064412 -2.56520938 2.60061536 13.41601591 45.44201984 7.59467115\n 2.12773446 -1.02705734 -2.87380699 -2.45325269 -2.81226103 -1.22863208\n 0.68411463]\",[-252.4270586],29060,179,Optimization terminated successfully.,True,495,1.3897966816659681,4a4l,232.21119999258633,7.820000171661377,34,7,\"[(15, 6, 1, 0), (8, 7, 3, 2), (16, 15, 6, 1), (9, 10, 12, 13), (15, 16, 21, 22), (28, 27, 19, 18), (16, 21, 22, 23)]\"\n\"[-2.69593449 1.0012263 2.66405427 22.4273514 18.15946937 59.62312214\n -1.26471275 1.97032025 -0.25989043 -2.09466554]\",[-226.31573465],18755,120,Optimization terminated successfully.,True,404,0.8815468204569914,3t3u,215.70630520123655,8.600000381469727,29,4,\"[(16, 27, 18, 28), (3, 28, 18, 27), (8, 22, 21, 6), (4, 24, 23, 9)]\"\n\"[ 2.99099335 0.02518485 -0.6362217 -23.52994362 -20.45746105\n -13.3685929 -1.67895325 0.95985555 2.21098784 -2.50816301\n -0.71005491 2.37475128 0.04776508]\",-106.60273018117908,20574,129,Optimization terminated successfully.,True,251,0.6050406594690467,4ks1,98.99758784822654,8.819999694824219,20,7,\"[(0, 1, 2, 3), (1, 2, 3, 4), (6, 5, 2, 1), (7, 6, 5, 2), (7, 8, 9, 10), (6, 15, 16, 17), (15, 16, 17, 18)]\"\n\"[ -2.80566075 0.1523412 -1.81939713 -31.33335393 -13.23839459\n 20.15824522]\",[-55.1739109],8161,50,Optimization terminated successfully.,True,170,0.0005510273751893684,4rpo,46.754214168288485,7.639999866485596,10,0,[]\n\"[ -0.09879415 -0.78585305 1.01783819 -23.85680302 14.83926428\n -26.82468856 -1.49019483 -2.09051809 -1.1908352 1.59135412\n 0.97807397]\",[-66.71676032],77838,500,Maximum number of iterations has been exceeded.,False,351,1.3596410942409656,2ynd,62.82106724810785,7.489999771118164,32,5,\"[(20, 27, 19, 31), (27, 19, 31, 3), (9, 25, 24, 8), (14, 29, 26, 11), (22, 28, 31, 3)]\"\n\"[-0.45594477 1.65409544 -1.31611718 39.47923185 -6.87706009 20.33349743\n -2.2493073 2.21985616 0.27987173 0.41744352 2.46545692 3.06648659]\",-96.15115010036091,72657,463,Optimization terminated successfully.,True,370,1.7675913697439374,4hw3,88.06683738941994,6.489999771118164,25,6,\"[(4, 3, 1, 0), (3, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (16, 15, 14, 13), (17, 16, 15, 14)]\"\n\"[ 1.42986596e-01 -2.67047954e+00 -2.25261994e-02 -2.71272592e+01\n -2.81062898e+01 -1.63657324e+01 -4.22648475e-01 -2.02799480e+00\n -2.63707658e+00 -1.35683179e+00 -1.77297692e-01 -2.83942646e+00\n -2.20231034e-01 2.95865007e-01 -9.13117830e-01 8.96690703e-01\n -1.70133868e+00 -1.49971480e-01 1.14410934e+00 -4.79020380e-01\n -1.01678886e+00 1.98568508e+00 1.30486882e+00 8.60980634e-01\n 4.52433971e-01 1.99898395e+00 -2.18201128e+00 1.02913277e+00\n -3.07535076e-02 -1.42271467e+00 -6.30302766e-01 7.35117243e-01\n 5.13076429e-01 -1.58149895e+00 8.06491615e-01 -1.79483233e+00\n -6.04582337e-01]\",[-97.1145791],99297,500,Maximum number of iterations has been exceeded.,False,762,6.023327389003895,3rt4,88.40366071712062,8.800000190734863,48,31,\"[(5, 4, 1, 0), (6, 5, 4, 1), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 12, 13), (10, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (6, 24, 31, 32), (25, 26, 28, 29), (24, 31, 32, 33), (31, 32, 34, 35), (32, 34, 35, 36), (34, 35, 37, 38), (35, 37, 38, 39), (37, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42), (40, 41, 42, 43), (41, 42, 43, 44), (42, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47)]\"\n\"[ -1.5859561 1.44156957 1.80566152 10.96239372 -23.55652186\n -10.29125661 -1.77901106 2.58114624 -1.52307551 -0.34185183\n 0.14479678 -3.00097109 0.20774224 -1.17215401 -2.66030315]\",[-168.97461719],76590,500,Maximum number of iterations has been exceeded.,False,471,3.0460062051215453,4huo,139.1688095257726,4.699999809265137,30,9,\"[(9, 10, 13, 7), (7, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (23, 22, 19, 18), (24, 23, 22, 19)]\"\n\"[-1.34913232e+00 1.15209739e+00 2.19652642e-01 1.05674997e+01\n 8.44875405e+01 4.60104687e+01 -7.66296643e-01 1.37116632e+00\n 2.27167155e+00 1.08175710e+00 5.97329881e-01 1.43168255e+00\n 2.47205798e+00 -2.04147230e+00 -1.14791219e+00 8.33717301e-02\n -8.08714574e-01]\",[-97.76237334],60786,387,Optimization terminated successfully.,True,515,2.7461238898177243,1dfo,88.96514120304143,6.699999809265137,34,11,\"[(6, 7, 32, 33), (7, 8, 12, 13), (17, 13, 12, 8), (16, 17, 13, 12), (15, 14, 20, 21), (14, 20, 22, 23), (20, 22, 23, 24), (22, 23, 24, 25), (22, 23, 29, 30), (23, 24, 25, 26), (24, 25, 26, 27)]\"\n\"[-1.62606743 0.66308622 -0.85275597 23.72638215 31.16730703 20.75752964\n -2.26275578 0.57140454 -1.03399527 -2.6240301 ]\",[-88.45126382],16959,107,Optimization terminated successfully.,True,358,2.5813121880049694,3ap4,66.23659307185896,3.9200000762939453,23,4,\"[(15, 6, 0, 1), (3, 4, 5, 11), (14, 15, 6, 0), (15, 16, 17, 22)]\"\n\"[-2.31252832 -1.34343053 0.2313487 17.54464138 17.10268446 55.8796762\n -0.58059745 1.20135826 -1.75683497 1.74264597 -1.26176238 2.71655384\n 1.7084711 -0.17074459 -0.35528409 1.09679255 -0.68011798 1.33212339\n -0.36633052 -1.07195859 2.29117252 0.56900565]\",-103.34142058909586,77637,500,Maximum number of iterations has been exceeded.,False,453,1.800801309709056,3odl,90.6197253487616,7.210000038146973,86,16,\"[(5, 7, 8, 9), (7, 8, 9, 10), (14, 16, 17, 18), (16, 17, 18, 19), (23, 25, 26, 27), (31, 34, 35, 43), (34, 35, 44, 41), (40, 36, 42, 44), (39, 37, 40, 36), (36, 42, 44, 35), (45, 46, 49, 50), (56, 58, 59, 60), (58, 59, 60, 61), (65, 66, 69, 70), (72, 74, 75, 76), (74, 75, 76, 77)]\"\n\"[ 1.65492641 -0.09634279 -2.02799987 -21.52230848 39.28906942\n 2.84440426 3.06760547 2.9612083 0.92709119 -1.3128282 ]\",[-142.40371869],23429,145,Optimization terminated successfully.,True,412,1.2825742863002612,3zmg,148.0122438517072,7.639999866485596,28,4,\"[(1, 2, 8, 5), (2, 8, 5, 12), (13, 12, 5, 8), (6, 15, 26, 18)]\"\n\"[-2.19035762e+00 2.47102116e+00 1.37259316e+00 5.60411331e+01\n -6.79321302e+00 1.66508608e+02 -1.11750015e+00 -1.18434601e+00\n 1.54857537e+00 -1.04693568e+00 2.19159239e+00 7.47373138e-01\n 4.74957491e-01 1.82771726e+00 -1.84772749e-01 -1.20316079e+00\n -4.05443881e-02 -1.66019341e+00 2.26213813e+00 -1.85411659e+00]\",[-88.65494403],82281,500,Maximum number of iterations has been exceeded.,False,464,3.205583963968175,4uff,148.5886250317558,7.960000038146973,37,14,\"[(4, 3, 1, 0), (0, 1, 10, 11), (5, 4, 3, 1), (1, 10, 11, 12), (13, 12, 11, 10), (10, 11, 19, 20), (14, 13, 12, 11), (11, 19, 21, 22), (19, 21, 23, 24), (21, 23, 24, 25), (23, 24, 26, 27), (28, 27, 26, 24), (29, 28, 27, 26), (30, 31, 32, 33)]\"\n\"[ -2.62065158 0.30046631 -3.02599134 -47.91370181 13.20193185\n 11.84355235 2.85329639 -1.42251397 0.53676102 -0.80714062\n 1.22590055 1.07103489 1.73566015]\",[-264.97973457],73478,464,Optimization terminated successfully.,True,476,4.173770236644551,5nfh,112.44433094891482,7.739999771118164,28,7,\"[(0, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (17, 16, 15, 14), (18, 17, 16, 15)]\"\n\"[-9.37259262e-01 -1.39763595e+00 1.28124797e-02 8.53315428e+01\n -1.62223159e+00 4.06750804e+01 2.84122641e+00 2.36540444e-01\n -6.32286601e-02 -2.80071558e+00 -3.66899520e-01]\",-49.3488411897645,26740,171,Optimization terminated successfully.,True,204,1.4717175310481696,2bo4,34.70893740150779,4.610000133514404,13,5,\"[(6, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 8), (1, 2, 4, 5), (2, 4, 5, 10)]\"\n\"[ 2.41343763e+00 -2.60593414e+00 1.09868333e-02 1.21485389e+01\n 2.34168282e+01 2.32566347e+01 2.84242689e+00]\",[-42.03503824],14794,92,Optimization terminated successfully.,True,144,0.14099487206119116,4ej8,35.315333854307866,5.389999866485596,12,1,\"[(4, 3, 1, 0)]\"\n\"[ 1.13567255 0.63882814 1.10449473 35.91731408 73.42963987 8.57838533\n 1.68747191 2.09916957 0.41127623 1.1047985 1.73307723 -0.88686765\n 2.75987286 -0.15679986 -2.06143916]\",[-154.18063647],76846,500,Maximum number of iterations has been exceeded.,False,654,1.5735455256648865,3o8h,156.33597051045555,6.239999771118164,36,9,\"[(0, 6, 7, 8), (6, 7, 10, 11), (12, 11, 10, 7), (13, 12, 11, 10), (13, 16, 17, 18), (16, 17, 18, 19), (21, 20, 18, 17), (27, 26, 25, 22), (32, 31, 30, 27)]\"\n\"[ -1.50709011 -2.41446211 -2.8489711 -18.22323897 43.82228795\n 6.01854327 1.16716754 -0.23378125 0.9276423 ]\",[-120.99765717],20218,125,Optimization terminated successfully.,True,273,0.545782164342939,5f00,112.63420297574004,6.599999904632568,26,3,\"[(4, 16, 11, 1), (20, 19, 15, 3), (6, 20, 19, 15)]\"\n\"[-1.83354876 -3.13409029 0.9226182 36.6600351 6.69180722 11.38164298\n -2.81143017 -0.14362803 -0.15962905 -2.37711081 -0.40907047 0.82545186\n -2.07436205 -2.76466753 -0.12625753 -1.4767416 0.70483706 -0.59333301\n -1.15923195 -2.98813223 -0.67505297]\",[-64.64156544],86852,500,Maximum number of iterations has been exceeded.,False,592,4.1110469321834655,3ckr,110.80648401779635,5.300000190734863,45,15,\"[(1, 0, 2, 3), (26, 25, 0, 1), (0, 2, 3, 4), (5, 4, 3, 2), (2, 3, 11, 12), (6, 5, 4, 3), (3, 11, 13, 14), (11, 13, 14, 15), (16, 15, 14, 13), (17, 16, 15, 14), (19, 20, 22, 23), (43, 38, 25, 0), (32, 31, 29, 27), (33, 32, 31, 29), (42, 43, 38, 25)]\"\n\"[ 0.54239428 0.33815824 1.10462285 17.06014311 -7.03998806 -5.95496222\n -1.45664579 0.54494512 -0.58557798 -0.22173022 -0.67514414 -0.99300748\n -2.43252347 0.97803965 2.74528747 1.62836852 0.77602747 -0.80904168\n -0.67605983 1.0661434 -0.18540469 -2.6890103 1.81239832 -2.48038981\n -0.81735635 0.6671901 -2.18354621 1.6693092 -2.20881179 0.64135318\n 2.79530888 1.29093796 -0.69292226 -0.47110939 -0.13523216 0.81659913\n -0.89023457 -1.82588369 -0.29306669 -2.93687639 1.31756637 2.35453825\n -0.46867822 1.26792636 1.43458317 -0.76125945 1.94318268 -0.41643305\n -1.15426799 0.27799118 0.57119204 0.28959253 -2.47518268 -0.49009381\n -1.59430533 -0.33580898 1.03117121 -2.60141433 0.72278201 0.43145275\n -0.85433389 2.75222303 0.0381116 -1.14264586 -3.06478459]\",[-89.60376555],103767,500,Maximum number of iterations has been exceeded.,False,1338,6.431499786516057,2m41,101.6541901984589,5.099999904632568,124,59,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (12, 11, 8, 7), (19, 18, 9, 8), (13, 12, 11, 8), (18, 19, 20, 21), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (30, 29, 26, 25), (26, 27, 39, 40), (31, 30, 29, 26), (27, 39, 40, 41), (39, 40, 41, 42), (44, 43, 40, 39), (40, 41, 49, 50), (45, 44, 43, 40), (41, 49, 50, 51), (49, 50, 51, 52), (49, 50, 53, 54), (50, 51, 55, 56), (51, 55, 56, 57), (55, 56, 57, 58), (55, 56, 59, 60), (56, 57, 63, 64), (56, 59, 60, 61), (57, 63, 64, 65), (63, 64, 65, 66), (63, 64, 67, 68), (71, 70, 65, 64), (70, 71, 72, 73), (71, 72, 77, 78), (72, 77, 78, 79), (77, 78, 79, 80), (82, 81, 78, 77), (78, 79, 88, 89), (83, 82, 81, 78), (79, 88, 89, 90), (88, 89, 90, 91), (88, 89, 92, 93), (89, 90, 96, 97), (89, 92, 93, 94), (90, 96, 97, 98), (96, 97, 98, 99), (102, 101, 98, 97), (101, 102, 103, 104), (102, 103, 108, 109), (103, 108, 109, 110), (108, 109, 110, 111), (108, 109, 112, 113), (109, 110, 114, 115), (110, 114, 115, 116), (114, 115, 116, 117), (114, 115, 118, 119), (115, 118, 119, 120), (118, 119, 120, 121)]\"\n\"[-0.44834697 -2.751871 -0.38441542 3.25683438 12.44347015 25.38155801\n 2.33371803]\",-139.97712890977277,8946,56,Optimization terminated successfully.,True,387,2.0718220813318857,3r92,163.77799400052922,7.019999980926514,32,1,\"[(15, 16, 29, 30)]\"\n\"[ -1.03910009 -1.16487733 -1.33370718 18.6774188 -36.4908083\n -1.97569254 0.1035752 ]\",[-72.95733659],10574,66,Optimization terminated successfully.,True,429,1.653487415531823,3bwf,64.52821241066673,9.699999809265137,31,1,\"[(8, 30, 16, 17)]\"\n\"[ 1.23340122 1.32632255 -1.11853017 6.22428247 -9.60357838 -5.93651253\n 0.38477942 1.41469982 2.78847312 0.9293538 -2.84848087 -2.93342256\n 0.75194921 -0.53875829]\",[-199.80414987],60779,385,Optimization terminated successfully.,True,472,1.7061236102205655,4fl3,183.68199388250213,3.819999933242798,31,8,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 11, 8), (9, 8, 11, 4), (9, 8, 12, 13), (14, 13, 12, 8), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n\"[ 3.05050662 -1.71804978 0.7435092 26.25041245 7.32221318 48.19428821\n -0.57499498 2.55581646 1.98901229 1.23171529 2.23837329 0.58244763\n -1.43429766 -0.68542299]\",[-104.08797684],31203,191,Optimization terminated successfully.,True,353,2.163577575374918,2ow1,96.91309189917685,9.0,27,8,\"[(7, 6, 5, 0), (8, 7, 6, 5), (9, 12, 13, 14), (12, 13, 16, 17), (13, 16, 17, 18), (16, 17, 18, 19), (16, 17, 23, 24), (17, 23, 25, 26)]\"\n\"[-2.08093205 -2.67783416 -1.28479694 -8.62771471 0.06644045 -4.65790658\n 2.72207257 -2.47765235 1.14690599 -0.53228824 0.70500239 -1.08139491\n 1.6683427 -0.46219005]\",[-103.46901118],79584,500,Maximum number of iterations has been exceeded.,False,247,3.1541738814954527,5fs5,85.70376772467328,6.690000057220459,19,8,\"[(4, 2, 1, 0), (18, 3, 15, 14), (15, 3, 18, 17), (4, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 3), (16, 17, 18, 3)]\"\n\"[-0.26353932 -0.07024438 0.06534057 -5.42601882 1.22428064 19.54960858\n 1.26928615 1.29620253 -2.09617465 1.51614291]\",[-68.15888229],16627,102,Optimization terminated successfully.,True,388,1.8967760824265838,3lbz,34.251001278495984,3.859999895095825,26,4,\"[(1, 3, 0, 2), (18, 1, 3, 0), (0, 3, 4, 5), (3, 4, 5, 23)]\"\n[ 2.56505664 -0.32665989 -0.48451589 30.67383296 46.20248931 8.25789966],-225.03782767954033,7047,45,Optimization terminated successfully.,True,308,2.2232409989102113e-05,4cli,210.3001727908109,8.890000343322754,30,0,[]\n\"[ 2.28186104 -2.12392172 -1.97898968 23.36705028 6.092253 15.47770091\n 1.50093868 -0.75960584 0.93771594 -1.40180674]\",[-53.67548393],16663,104,Optimization terminated successfully.,True,218,1.7551488718866501,4kzb,31.68852255548679,2.890000104904175,16,4,\"[(0, 1, 2, 3), (6, 5, 1, 0), (7, 6, 5, 1), (1, 5, 12, 13)]\"\n\"[ -2.71806816 0.07586357 -0.91326479 -30.62162249 18.38912739\n -15.06634834 -2.71167574]\",[-60.28497454],11076,65,Optimization terminated successfully.,True,234,0.4326488148833466,3b9s,41.04257934289112,5.300000190734863,12,1,\"[(7, 6, 5, 3)]\"\n\"[-5.83250421e-01 1.32321488e+00 1.33960850e+00 -1.06510423e+01\n -4.17290266e+00 -1.57738213e+01 -6.28070399e-01 2.02298944e-01\n 2.09830462e+00 -8.17788685e-03]\",-195.3126840798748,13881,90,Optimization terminated successfully.,True,411,1.874939613828394,4ggl,178.35305306711112,9.0,30,4,\"[(12, 11, 9, 8), (13, 12, 11, 9), (16, 15, 14, 13), (24, 25, 28, 29)]\"\n\"[ 0.28958369 1.1599902 -1.25084104 -9.90974426 38.75158199 -0.56346912\n -1.56518948 1.07927307 3.12915656 -0.61180474 1.37795603 0.21758984]\",[-177.30518957],47294,293,Optimization terminated successfully.,True,363,1.557726764233884,5mi3,176.57339559515907,6.840000152587891,28,6,\"[(1, 0, 4, 5), (0, 4, 5, 6), (4, 5, 8, 9), (10, 9, 8, 5), (11, 10, 9, 8), (18, 17, 16, 11)]\"\n\"[ 3.01373433e+00 -7.38137632e-01 -1.24066661e+00 9.61038453e+01\n 1.97783980e+01 6.87525169e+00 -2.54886146e+00 1.65051343e+00\n 2.20017075e+00 -2.82165320e-01 2.83797152e+00 -9.17350992e-02\n -1.87954702e+00 -1.58348720e+00 -1.42153156e+00]\",[-192.13103475],59186,386,Optimization terminated successfully.,True,351,2.6848487869846602,5nka,212.28894770734956,5.460000038146973,35,9,\"[(1, 2, 3, 4), (0, 8, 9, 10), (8, 9, 10, 11), (13, 12, 10, 9), (19, 18, 17, 13), (20, 19, 18, 17), (20, 23, 24, 25), (27, 26, 24, 23), (28, 27, 26, 24)]\"\n\"[ 0.45234446 -0.11191543 0.70519905 18.83582713 56.86483877 26.01888921\n -1.10020569 -0.75464714 1.62172992 -1.87789516 2.16642451 -1.20124924\n 1.61614494 1.01914906 2.90422744]\",[-75.7796127],76686,500,Maximum number of iterations has been exceeded.,False,421,2.6961146811056453,4jzi,96.15212555015654,7.400000095367432,36,9,\"[(3, 2, 1, 0), (11, 10, 1, 0), (4, 3, 2, 1), (15, 14, 13, 12), (16, 15, 14, 13), (17, 18, 19, 20), (27, 26, 25, 11), (28, 27, 26, 25), (29, 30, 31, 32)]\"\n\"[ -1.44693702 -2.96619683 1.68645385 4.52184703 22.67696516\n -19.15784022 -1.12892331 0.13113763]\",[-114.69630468],8105,48,Optimization terminated successfully.,True,307,0.41588879104162246,5mro,102.0433038180885,5.699999809265137,18,2,\"[(5, 14, 2, 3), (2, 14, 5, 15)]\"\n\"[-2.90981449 3.07874877 -0.02384627 -4.7074183 0.32275257 14.92496307\n -1.78428008 0.17174202 -2.31431213 2.70979309 2.03535839 0.80913082\n -2.86127103 1.06097461]\",-164.47249428542193,22183,141,Optimization terminated successfully.,True,292,1.3663169089568128,4qmz,160.9804052619338,6.679999828338623,29,8,\"[(4, 15, 9, 18), (15, 9, 18, 22), (4, 14, 11, 7), (9, 18, 22, 23), (18, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 28), (23, 24, 26, 27)]\"\n\"[-0.45537408 -0.06764312 -1.1319645 -3.04490174 8.78632808 19.78303381\n 2.84915347]\",[-109.6990429],7656,43,Optimization terminated successfully.,True,168,0.03256799351592688,1v2j,105.51591606518326,3.25,9,1,\"[(1, 0, 6, 7)]\"\n\"[-2.57690115e+00 -1.02061322e-01 -3.21828398e-02 2.00624345e+01\n -1.47664889e+00 3.57606710e+01 -2.94183320e-01 -1.75364040e+00\n 4.19597329e-01 3.69347551e-01 2.13849473e+00 -2.21137819e+00\n 2.82074281e+00 2.52782356e+00 -1.57187759e-01 -1.35320924e+00\n 1.01099567e+00 2.21627261e+00 4.88118598e-01 2.36450101e+00\n 1.67470848e+00 3.32492512e-01 6.16052931e-01 -2.39255339e+00\n -1.27985200e+00 1.56980894e-01 -1.57201788e+00 -8.87191574e-01\n -1.33751131e+00 -6.80883653e-01 -1.01675753e+00 3.12941432e+00\n 1.32108480e+00 -1.35763402e+00 -2.56760606e+00 5.80421467e-03\n -5.59579108e-01 1.44630440e+00 -2.33763757e+00]\",[-73.99413657],79436,500,Maximum number of iterations has been exceeded.,False,926,5.377545688813124,1ox9,76.20446185172213,5.210000038146973,61,33,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (6, 7, 10, 11), (7, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 18, 19), (11, 14, 15, 16), (12, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 26, 27), (19, 22, 23, 24), (20, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 35, 36), (27, 30, 31, 32), (30, 31, 32, 33), (28, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 43, 44), (36, 39, 40, 41), (37, 43, 44, 45), (43, 44, 45, 46), (48, 47, 44, 43), (44, 45, 55, 56), (49, 48, 47, 44), (45, 55, 56, 57), (55, 56, 57, 58)]\"\n\"[ -1.78059448 -2.00428137 1.96548094 86.72502466 -51.36613635\n 152.37838559 1.96005351 2.0701447 1.11301822 -2.39319813\n -1.25745585 3.07525593 -2.11152059 -1.23590481 -1.17344694\n 1.99821301 0.22265115]\",[-58.08270355],77697,500,Maximum number of iterations has been exceeded.,False,504,3.12752561171623,5vs6,67.10020802617393,6.980000019073486,42,11,\"[(2, 0, 3, 4), (26, 11, 1, 12), (11, 1, 12, 13), (0, 3, 4, 5), (3, 4, 5, 6), (7, 35, 5, 4), (1, 12, 13, 28), (37, 28, 13, 12), (27, 20, 17, 10), (24, 27, 20, 17), (14, 37, 28, 13)]\"\n\"[ 0.8296703 -1.44357269 0.89760733 13.97140604 27.11592662 61.80037407\n -0.65416893 1.08335989 1.78033553 -1.31418855 0.09477491 -0.7842112 ]\",[-177.14051058],63323,400,Optimization terminated successfully.,True,314,1.864884005346263,4x21,174.9871173416936,7.440000057220459,28,6,\"[(11, 12, 2, 13), (3, 4, 5, 6), (4, 5, 6, 7), (0, 8, 6, 5), (2, 12, 11, 1), (20, 19, 14, 13)]\"\n\"[-2.10082059 0.77606534 -1.877675 5.2641869 11.14851975 12.18701943\n -0.43348076 0.32071374 -0.85508536 -0.33260604 -2.95934148 -1.02028198\n -0.89882405]\",[-127.06778895],79304,500,Maximum number of iterations has been exceeded.,False,313,1.057918520755645,5edu,101.54157388184643,8.65999984741211,22,7,\"[(0, 3, 17, 1), (7, 8, 4, 20), (6, 5, 11, 2), (2, 11, 12, 13), (11, 12, 13, 14), (13, 14, 15, 16), (15, 16, 17, 1)]\"\n\"[-1.02674432e+00 1.59866322e+00 2.06153398e+00 -1.15218919e+00\n 4.49635328e+00 5.52286945e+00 -2.80636043e+00 -1.74246806e+00\n -2.66292529e-03 1.11159465e+00]\",[-98.12868269],19516,125,Optimization terminated successfully.,True,286,1.1793925888443837,3o75,78.78973583599988,6.679999828338623,16,4,\"[(3, 0, 1, 2), (1, 0, 3, 4), (0, 1, 2, 13), (7, 9, 11, 12)]\"\n\"[ 0.26208761 1.93718335 0.97715024 10.69606104 13.41730437 19.16535023\n -2.63487665 -2.82358004 0.73644814 -1.51561288 2.79984792 1.18456394\n -0.03989704]\",[-62.54380847],52284,325,Optimization terminated successfully.,True,381,1.4513840322766436,4ocz,59.36582551600199,9.180000305175781,25,7,\"[(5, 4, 1, 0), (6, 9, 10, 11), (9, 10, 11, 12), (14, 13, 11, 10), (15, 14, 13, 11), (16, 17, 20, 21), (17, 20, 22, 23)]\"\n\"[-3.90753082e-01 -1.61130980e+00 9.95704600e-01 4.46466401e+01\n 4.11057294e+01 3.20461260e+01 2.38372373e-01 -8.70469646e-01\n -1.16209572e+00 1.75097605e+00 1.70550078e+00 -2.90032497e-01\n 1.87240277e+00 -2.80550526e-01 2.94355711e+00 2.92018368e+00\n 6.16130313e-01 1.28314604e+00 -6.12618291e-01 6.31004443e-01\n 1.78844270e+00 2.00969419e+00 -1.50535035e+00 -6.02017078e-01\n -1.50468806e+00 -2.33113084e-01 -1.64695413e+00 2.12943725e+00\n -1.92675520e+00 -2.61900592e-01 2.30586703e+00 -1.47680161e+00\n 1.25428082e+00 2.71684233e+00 3.14112479e+00 1.95068403e+00\n 2.07398643e+00 -2.47921932e+00 1.99657768e+00 2.78042187e+00\n 2.65241217e-01 -2.54650831e+00 1.46599330e+00 -1.49529756e+00\n -1.70748138e+00 1.26984189e+00 6.23346098e-01 1.12554019e+00\n 1.43624969e-01 2.64842971e+00 -2.20515041e-02 1.73690297e+00\n -9.01590834e-02 -2.51638483e+00 -2.82272972e+00 -1.46959461e+00\n -2.83801085e+00 -1.74118234e+00 -5.76996488e-02 2.03360072e+00\n -9.87637503e-01 -1.10365957e+00 1.96769989e+00 -2.36910794e+00\n 2.99861202e+00 -2.90709993e+00 -3.08932390e+00 2.99278368e+00\n -7.34315902e-01]\",[-84.85512692],106437,500,Maximum number of iterations has been exceeded.,False,1122,9.304268038142439,1j19,64.99439160892607,7.789999961853027,116,63,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 27, 28), (17, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (18, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 34, 35), (29, 34, 35, 36), (34, 35, 36, 37), (35, 36, 38, 39), (36, 38, 39, 40), (38, 39, 40, 41), (38, 39, 42, 43), (39, 40, 45, 46), (40, 45, 46, 47), (45, 46, 47, 48), (50, 49, 46, 45), (46, 47, 57, 58), (51, 50, 49, 46), (47, 57, 58, 59), (57, 58, 59, 60), (58, 59, 61, 62), (59, 61, 62, 63), (61, 62, 63, 64), (61, 62, 65, 66), (62, 63, 68, 69), (63, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 70, 76, 77), (69, 72, 73, 74), (70, 76, 77, 78), (76, 77, 78, 79), (77, 78, 81, 82), (78, 81, 82, 83), (81, 82, 83, 84), (82, 83, 86, 87), (83, 86, 87, 88), (86, 87, 88, 89), (91, 90, 87, 86), (87, 88, 100, 101), (92, 91, 90, 87), (88, 100, 101, 102), (100, 101, 102, 103), (101, 102, 105, 106), (102, 105, 106, 107), (105, 106, 107, 108), (106, 107, 110, 111), (107, 110, 111, 112), (110, 111, 112, 113)]\"\n\"[-1.8833871 -3.09294724 1.21050345 24.70831437 5.87586629 31.43139665\n 0.61952968 -0.74081191]\",-39.22918818875023,14021,90,Optimization terminated successfully.,True,109,0.19571601187074134,5eb3,20.009738008200898,1.4500000476837158,12,2,\"[(3, 2, 1, 0), (2, 7, 8, 9)]\"\n\"[ 0.90964774 2.14596993 -0.79981666 10.5425357 -13.77859544\n 40.64018745 -0.52255406]\",[-63.34311596],9484,57,Optimization terminated successfully.,True,235,0.23552216154485903,2buv,40.33008674878272,4.0,11,1,\"[(1, 0, 8, 9)]\"\n\"[ 1.17680543 -0.56397598 0.6930756 118.19564306 32.62682374\n -24.22018412 0.90796382 2.90390389 0.19315359 2.20318325]\",[-49.24988079],13530,87,Optimization terminated successfully.,True,210,1.2176297250057695,1gzg,8.681805165858844,3.049999952316284,9,4,\"[(2, 0, 1, 8), (1, 0, 2, 3), (0, 2, 3, 4), (2, 3, 4, 6)]\"\n\"[ 2.72209654 -1.4503181 -1.49468346 30.01822572 171.25132351\n 23.37662982 -1.44977816 0.35244091 1.67576777 2.52526276\n -1.77495766 -2.37873462 -1.57642449 1.18174844]\",-98.65744626868562,64841,418,Optimization terminated successfully.,True,481,3.0391273451778495,5jjs,87.98305490713338,7.320000171661377,33,8,\"[(3, 2, 1, 0), (3, 7, 8, 9), (7, 8, 11, 12), (8, 11, 12, 13), (15, 14, 12, 11), (14, 16, 17, 18), (19, 20, 21, 22), (25, 24, 23, 15)]\"\n\"[ 2.17777057 0.10353392 -0.98933031 60.85677582 16.60602469 30.75331883\n -0.44240758 0.99812449 -1.89834275 2.90776734]\",[-77.6380953],18555,115,Optimization terminated successfully.,True,348,2.4442409116961312,6euz,67.99596361521375,4.179999828338623,26,4,\"[(12, 11, 0, 8), (5, 4, 2, 1), (0, 8, 9, 10), (13, 12, 11, 0)]\"\n\"[ 1.2255587 0.4524761 -0.65138198 13.19186779 47.71689547 9.71713375\n -0.59851807 -2.47047969]\",[-65.98240126],9717,56,Optimization terminated successfully.,True,289,1.6825161444413825,1fig,41.315743684887664,6.21999979019165,16,2,\"[(1, 0, 10, 11), (7, 8, 13, 14)]\"\n\"[ 1.71688289 2.75778813 3.13153965 78.53158578 55.41729323 34.65433373\n 1.65367048 -2.85215278 2.2212915 ]\",[-62.76153375],31327,198,Optimization terminated successfully.,True,205,1.1525520141903742,1toi,39.98579562684846,4.050000190734863,11,3,\"[(1, 0, 3, 4), (5, 4, 3, 0), (6, 5, 4, 3)]\"\n\"[-1.69274878e+00 -1.04579460e+00 -3.00380477e-01 1.76125628e+01\n 5.82121018e+00 2.37379848e+01 2.10956545e+00 -1.80755485e+00\n -1.99448710e-01 1.77339405e+00 4.91934588e-01 -1.28449276e+00\n 3.56765853e-02 -1.51368913e+00 2.89494552e+00 2.99158295e+00\n -1.71951397e+00 9.36010902e-01 -7.86789194e-01 9.24759724e-01\n 1.74211019e+00 -3.13591954e+00 2.54540944e+00 -1.94460714e+00\n -3.09068163e-01 -2.36344809e+00 3.03120309e-01 1.15399638e+00\n -6.62467334e-01 -6.47090429e-02 2.52957246e+00 1.52408124e+00\n -1.66600198e+00 4.60239653e-02 3.00247446e+00 2.34277128e-01\n -4.43316649e-01 -2.38231686e+00 1.30335196e-01 -2.05608808e+00\n 1.01720052e+00 -3.00540696e+00 -5.34895451e-01 -2.09090723e+00\n 1.49775842e-01 -1.96480939e+00 -2.17788549e-01 -1.17601866e+00\n 5.83712574e-01 2.77559453e+00 -9.12417188e-01 2.62950715e+00\n 1.12773114e+00 9.60735915e-01 -2.70065313e+00 -2.40170333e+00\n -8.55720107e-01 2.17027780e+00 2.97755672e+00 1.82468379e-01\n -8.47939726e-01 1.85368150e+00 -4.16533439e-03 -8.23756357e-01\n -1.90778009e-01 -9.94314862e-01 3.02678199e+00 2.61768722e+00\n 1.10947497e+00 -8.73756322e-02 3.09919735e+00 9.30087595e-01\n -1.02908958e+00 -1.70591724e-01 2.29705416e-01 9.27588027e-01\n 1.12054067e-01 -2.44032857e+00 2.59816431e+00 1.83687960e+00\n 4.04964955e-01 2.63270608e+00 8.69429516e-01 3.06044602e+00\n -1.74867131e+00]\",[-95.98675821],89556,500,Maximum number of iterations has been exceeded.,False,2068,7.212837438621358,4mzj,104.77729900618226,5.800000190734863,152,79,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 12, 13), (4, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (5, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (21, 20, 14, 13), (13, 16, 17, 18), (22, 21, 20, 14), (35, 36, 39, 40), (41, 42, 45, 46), (42, 45, 46, 47), (49, 50, 51, 52), (50, 51, 57, 58), (51, 57, 58, 59), (57, 58, 59, 60), (57, 58, 61, 62), (58, 59, 68, 69), (58, 61, 62, 63), (61, 62, 63, 64), (62, 63, 64, 65), (59, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 70, 75, 76), (70, 75, 76, 77), (75, 76, 77, 78), (75, 76, 79, 80), (76, 77, 84, 85), (76, 79, 80, 81), (79, 80, 81, 82), (77, 84, 85, 86), (84, 85, 86, 87), (85, 86, 89, 90), (86, 89, 90, 91), (89, 90, 91, 92), (94, 93, 90, 89), (90, 91, 99, 100), (95, 94, 93, 90), (91, 99, 100, 101), (99, 100, 101, 102), (99, 100, 103, 104), (100, 101, 107, 108), (100, 103, 104, 106), (101, 107, 108, 109), (107, 108, 109, 110), (107, 108, 111, 112), (108, 109, 118, 119), (108, 111, 112, 113), (111, 112, 113, 114), (112, 113, 114, 115), (109, 118, 119, 120), (118, 119, 120, 121), (118, 119, 122, 123), (119, 120, 127, 128), (119, 122, 123, 124), (122, 123, 124, 125), (123, 124, 125, 126), (120, 127, 128, 129), (127, 128, 129, 130), (127, 128, 131, 132), (128, 129, 136, 137), (128, 131, 132, 133), (131, 132, 133, 134), (132, 133, 134, 135), (129, 136, 137, 138), (136, 137, 138, 139), (136, 137, 140, 141), (137, 138, 144, 145), (137, 140, 141, 142), (140, 141, 142, 143), (138, 144, 145, 146), (144, 145, 146, 147), (144, 145, 148, 149)]\"\n\"[ 2.0335051 2.95194879 1.66381477 1.7411894 -4.33745583 1.68511376\n -2.74315672 -0.19635803 0.51383549 1.1159237 -2.93955115 -0.32916979\n -2.48933498 -0.48540903 0.94313358 0.12897701 -2.87805385 -1.29476154\n 0.58555606 2.50876084 0.2941097 0.33598772 -0.22277741 1.38816803\n 0.0455632 0.39789889 2.23338102 -0.02766245 0.4937004 1.02229671\n 1.02001076 0.3979269 -1.87715871 0.40920271 1.988907 -0.0472316\n 1.62647414 2.79923828 0.0496346 2.36054017 -0.17790303 -0.70313964\n 0.81799398 0.63794435 1.84057836 2.64969023 0.76527006 0.02602825\n 0.08900856 1.60341013 -0.41639233 -1.56262987 0.57682876 -2.78255229\n -1.70935386 -2.59603092 2.09948107 -1.54229704 0.79687431 1.6429583\n -2.44149517 0.83302209 1.21051091 1.51389981 -2.81565691 -0.09097517\n 1.55693615 -0.75679225 -0.49560849 -0.7384227 -0.14919166 2.89362843\n 0.44116725 -1.79706607 3.07393484 -1.15778628 -0.34941623 0.2535328\n -1.18359508 1.5456743 -0.12665921 -1.60990889 -0.2459215 1.27085495\n -2.6351989 -1.95588243 -0.86993356 -1.24012367 0.06689906]\",[-78.05068493],94218,500,Maximum number of iterations has been exceeded.,False,1814,9.078911378352812,1g1e,43.5787058611395,7.539999961853027,136,83,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 11, 12), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 19, 20), (12, 15, 16, 17), (15, 16, 17, 18), (13, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 27, 28), (20, 23, 24, 25), (21, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 35, 36), (28, 31, 32, 34), (29, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 44, 45), (36, 39, 40, 41), (39, 40, 41, 42), (37, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49), (45, 46, 52, 53), (45, 48, 49, 50), (48, 49, 50, 51), (46, 52, 53, 54), (52, 53, 54, 55), (52, 53, 56, 57), (53, 54, 60, 61), (53, 56, 57, 58), (54, 60, 61, 62), (60, 61, 62, 63), (60, 61, 64, 65), (61, 62, 68, 69), (61, 64, 65, 66), (62, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 70, 77, 78), (69, 72, 73, 74), (72, 73, 74, 75), (70, 77, 78, 79), (77, 78, 79, 80), (78, 79, 82, 83), (79, 82, 83, 84), (82, 83, 84, 85), (83, 84, 87, 88), (84, 87, 88, 89), (87, 88, 89, 90), (87, 88, 91, 92), (88, 89, 95, 96), (88, 91, 92, 93), (89, 95, 96, 97), (95, 96, 97, 98), (100, 99, 96, 95), (96, 97, 107, 108), (101, 100, 99, 96), (97, 107, 108, 109), (107, 108, 109, 110), (107, 108, 111, 112), (108, 109, 115, 116), (108, 111, 112, 113), (109, 115, 116, 117), (115, 116, 117, 118), (115, 116, 119, 120), (116, 117, 124, 125), (116, 119, 120, 121), (119, 120, 121, 122), (117, 124, 125, 126), (124, 125, 126, 127), (124, 125, 128, 129), (125, 128, 129, 130), (128, 129, 130, 131), (129, 130, 131, 132)]\"\n\"[ -0.41769582 -0.53833538 0.47730343 3.23231928 -10.6199822\n 13.12872898 -1.28492355 2.52936254 -1.99479648 -2.8008025 ]\",[-245.97869312],26815,173,Optimization terminated successfully.,True,402,1.5268381165241838,3vry,254.3635727421123,8.109999656677246,28,4,\"[(9, 8, 7, 5), (16, 15, 14, 6), (22, 21, 18, 17), (23, 22, 21, 18)]\"\n\"[-2.37927418e+00 3.12298561e-03 -1.67019348e+00 -3.69912530e+01\n -1.60715140e+01 -4.11154689e+01 -6.14856228e-01 -9.10416754e-01\n 2.65438219e-01 9.26196745e-01 1.48504922e-01 -7.66096850e-01\n 4.44915233e-02 -1.26786175e+00 8.73050625e-01 -4.01793294e-02]\",[-31.85933398],81061,500,Maximum number of iterations has been exceeded.,False,175,3.1240309887452242,3uil,17.704094852322406,6.0,14,10,\"[(0, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13)]\"\n\"[ 2.24836063 -0.84875119 1.14882007 -36.79990602 28.09782847\n -9.93928468 2.70023068 0.65356221 0.28442817 2.85988902\n 0.66826727 -1.20957614]\",[-168.18335765],50011,310,Optimization terminated successfully.,True,453,1.4438017703942732,4rx5,161.037486513409,8.520000457763672,38,6,\"[(21, 20, 2, 1), (1, 6, 7, 8), (6, 7, 8, 9), (11, 10, 8, 7), (28, 27, 22, 21), (29, 28, 27, 22)]\"\n\"[ 1.47627434 0.62309894 -0.41578293 -44.65060034 -12.97168461\n -37.79293876 -1.35713088 -0.88752861 1.03708467 -0.44418951\n -0.94251518 1.74068855 -1.91027793 -1.61041004 0.82835346\n -2.2013883 ]\",[-96.96421191],81367,500,Maximum number of iterations has been exceeded.,False,369,2.0437747480598323,3cm7,76.7397687210113,6.570000171661377,36,10,\"[(0, 1, 2, 3), (1, 2, 4, 5), (7, 6, 4, 2), (8, 7, 6, 4), (7, 11, 12, 13), (10, 19, 20, 21), (19, 20, 22, 23), (24, 23, 22, 20), (25, 24, 23, 22), (31, 30, 23, 22)]\"\n\"[ 2.48543963 -1.97700789 -0.30736302 7.93186461 27.28857417 10.22252515\n -1.65726677 -1.04453186 1.14855421 0.17539171 -1.33995201 1.57649352\n 0.3396462 -1.49690401 -0.98044977 0.18284425 -0.12548973 -0.17399356\n 2.65401781 -0.48646765 -0.18668575 1.58709154 -0.74724374 -0.23155652\n -0.36617893 0.27010903 -1.84598416 -1.55301768 2.77699236 0.13657764\n 1.69878978]\",[-84.52257329],86327,500,Maximum number of iterations has been exceeded.,False,493,3.2976829012852216,5hvp,146.85768676157227,7.699999809265137,45,25,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (3, 4, 7, 8), (4, 5, 10, 11), (5, 10, 11, 12), (10, 11, 12, 13), (10, 11, 14, 15), (11, 12, 17, 18), (12, 17, 18, 19), (17, 18, 19, 20), (17, 18, 23, 24), (18, 19, 20, 21), (18, 23, 25, 26), (23, 25, 26, 27), (25, 26, 28, 29), (26, 28, 29, 30), (28, 29, 30, 31), (29, 30, 33, 34), (30, 33, 34, 35), (33, 34, 35, 36), (33, 34, 39, 40), (34, 35, 36, 37), (34, 39, 41, 42), (39, 41, 42, 43)]\"\n\"[ 1.41295751 -2.12940459 1.83599805 -16.75878337 -11.19372495\n 69.61124847 0.97388053 1.34785733 -0.5175665 ]\",[-57.33177223],10688,65,Optimization terminated successfully.,True,233,0.9109506752519132,4y2p,45.75011753991882,2.6600000858306885,15,3,\"[(5, 6, 0, 10), (4, 3, 2, 1), (5, 4, 3, 2)]\"\n\"[ -1.24570545 0.74631861 -2.07382613 -36.59361524 -0.19082906\n -16.34898786 2.48348178 -3.11616983 1.6474307 -0.58961385\n -0.55616054 -1.32306914 0.18547086 -1.64955753 1.84983921\n 1.69631101 -0.1842976 -1.79171893 -1.32726496 -0.28424436\n 0.3527478 -1.47169062 2.90400802 -0.73288175 0.33758265\n -0.26074936 0.51558466 -2.21304592 -0.15520272]\",-48.71489340142726,87804,500,Maximum number of iterations has been exceeded.,False,428,3.6892444890332903,3cx9,44.28482669001845,4.889999866485596,30,23,\"[(0, 1, 2, 3), (0, 1, 15, 16), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 6, 7), (4, 6, 7, 8), (6, 7, 8, 9), (7, 8, 10, 11), (8, 10, 11, 12), (10, 11, 12, 13), (1, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 29)]\"\n\"[ -0.42768773 -0.10838505 -0.33577257 -13.63949863 14.18433608\n 14.87649731 1.99741832 0.70951044 2.94717302 1.01172897\n -2.63000664 -3.04941403]\",[-174.49095398],61399,384,Optimization terminated successfully.,True,330,1.9881650647162346,1zrz,175.86097700476435,5.239999771118164,31,6,\"[(0, 1, 3, 4), (1, 3, 4, 5), (6, 5, 4, 3), (7, 6, 5, 4), (16, 15, 14, 7), (23, 22, 21, 15)]\"\n\"[-2.33971177e+00 2.41360401e-01 2.68347329e+00 -1.84569649e+01\n -2.13268596e+01 2.09183168e+01 -9.04169879e-03 -1.57230587e+00\n 1.54271011e+00 7.90045770e-01 1.99986631e+00 2.75737435e+00\n -5.09995326e-01 -1.18658801e+00 1.62083061e+00 -1.95438198e+00\n -2.87465035e-01 2.60999870e+00 2.84316959e+00 -1.15772633e+00\n 4.59139399e-01 -1.19951234e+00 1.21307677e+00 -1.32252648e+00\n 1.79485244e+00 1.83582891e+00 1.06561573e+00 9.35200327e-01\n -1.11275772e+00]\",[-79.72719074],90084,500,Maximum number of iterations has been exceeded.,False,545,4.568468911325333,3iiw,56.3939098141898,4.440000057220459,40,23,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 23, 24), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 25), (17, 23, 28, 29), (23, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 34, 35), (30, 34, 35, 36), (34, 35, 36, 37)]\"\n\"[-2.61166488e+00 -2.44684592e+00 1.99221373e+00 4.75842905e+00\n -2.79998830e+01 5.32379751e+01 -1.57918190e+00 -3.54288645e-01\n 6.31646923e-01 2.09078510e+00 -8.52983154e-01 -2.12282145e+00\n -1.68535795e+00 1.09781899e+00 1.89484037e+00 -1.87289817e-02]\",[-103.90709944],63641,389,Optimization terminated successfully.,True,337,2.335690848811725,3tu9,82.87305186546735,5.119999885559082,21,10,\"[(0, 1, 2, 3), (1, 2, 3, 4), (1, 2, 9, 10), (2, 3, 4, 5), (3, 4, 5, 6), (2, 9, 11, 12), (9, 11, 13, 14), (11, 13, 15, 16), (13, 15, 16, 17), (15, 16, 17, 18)]\"\n\"[ 1.89326770e+00 2.35613296e+00 1.65686792e+00 3.48640987e+01\n 3.10604796e+01 4.66263360e+01 -2.58449295e+00 1.99955744e+00\n -2.62045070e+00 -3.96528312e-02 2.90237352e+00]\",[-31.23931083],38938,246,Optimization terminated successfully.,True,123,0.6104010244951077,5g3w,17.955721012604243,7.380000114440918,20,5,\"[(3, 4, 6, 7), (9, 8, 7, 6), (10, 11, 14, 15), (14, 15, 16, 17), (15, 16, 17, 19)]\"\n\"[-2.18153699 -2.49595226 0.72812023 16.96707591 9.52341948 25.36339389\n -0.26628753]\",[-132.95333862],6410,36,Optimization terminated successfully.,True,289,0.43632414288375526,2w54,127.50445580116528,6.980000019073486,14,1,\"[(0, 11, 12, 13)]\"\n\"[-0.72460117 -0.94602158 -0.13963576 8.92838415 14.25487053 34.01126755\n -2.79050823 0.07043138 2.96839958 1.26937101]\",-172.5305580602955,33531,221,Optimization terminated successfully.,True,407,0.3337775495461654,1wbv,162.17902966226777,3.7899999618530273,25,4,\"[(20, 19, 3, 2), (4, 5, 7, 8), (10, 9, 7, 5), (11, 10, 9, 7)]\"\n\"[ 2.76969186 0.95372242 1.41467047 -3.21265277 -8.74280193\n -19.68344988 0.3554979 -0.4626075 -1.37795924]\",[-64.73124066],13675,84,Optimization terminated successfully.,True,291,1.010465370903184,4o77,42.12847585468215,5.599999904632568,25,3,\"[(6, 5, 4, 3), (8, 7, 6, 5), (16, 15, 14, 13)]\"\n\"[ 0.32140448 1.31034769 2.82489479 49.61122602 22.41497956 49.69240956\n 2.84055026 1.68319837 1.88608665 -0.32810594 -0.60024987 0.99032882\n 0.08086753 0.48576382 2.11595797 -3.07272496 0.5153656 ]\",[-145.6595757],78057,500,Maximum number of iterations has been exceeded.,False,424,2.2664384744534423,1k1p,140.99344177260917,7.920000076293945,31,11,\"[(1, 0, 7, 6), (0, 7, 6, 27), (7, 6, 27, 28), (0, 7, 8, 9), (11, 10, 8, 7), (10, 11, 12, 13), (11, 12, 14, 15), (16, 15, 14, 12), (17, 16, 15, 14), (18, 19, 22, 23), (6, 27, 28, 29)]\"\n\"[ 0.42239426 0.14891344 2.65771943 -12.65397687 49.85696594\n 19.84131579 0.05236303 0.18580628 0.41803815 -0.10538196\n -0.92396744 -0.69195869 -1.48337821 -2.19314516 -0.78241122]\",-90.25800937084048,36036,237,Optimization terminated successfully.,True,400,2.305749585600055,3rsr,64.09148542841388,4.360000133514404,32,9,\"[(4, 3, 1, 0), (13, 12, 9, 8), (13, 14, 18, 19), (14, 18, 19, 20), (18, 19, 20, 21), (19, 20, 23, 24), (20, 23, 24, 25), (23, 24, 27, 28), (24, 27, 28, 29)]\"\n\"[ 1.85072938 0.67484069 -0.44335485 -39.70467557 20.28907128\n 12.0749096 2.55047256]\",[-63.21978489],10450,64,Optimization terminated successfully.,True,194,0.11950474028541683,2jdu,45.40489731405876,6.71999979019165,12,1,\"[(1, 0, 6, 11)]\"\n\"[-2.05822783 -2.96122009 -1.87685225 18.22824136 12.1190201 61.98393414\n 0.17957945 1.97646736 1.44406813 -2.66605871 -2.03077108]\",[-232.30567754],22920,137,Optimization terminated successfully.,True,419,0.869559409095191,3sx9,220.12349213868302,8.890000343322754,30,5,\"[(23, 22, 14, 6), (17, 28, 19, 29), (3, 29, 19, 28), (8, 23, 22, 14), (4, 25, 24, 9)]\"\n\"[-5.44405161e-01 2.12426713e+00 -1.24106748e+00 3.29797736e+00\n 3.90618729e+01 1.07088886e+01 -4.10705371e-01 5.33487656e-01\n -2.87588498e-02 2.13740859e+00 1.09551393e+00 -1.35606162e+00\n -1.37075071e+00 -1.72710263e+00 -1.13426215e+00 -1.60387407e-01\n 2.17735957e+00 1.83842314e-01 6.68183047e-02 1.02486667e+00\n -1.66118924e+00 5.83751953e-01 1.54262091e+00 -6.25648731e-01\n 6.39890267e-02 -4.92148903e-01 1.41010489e+00 -1.27893776e+00\n 2.47006285e+00 -4.74244387e-01 7.07746223e-01 1.51625677e+00\n -1.96401448e+00 -2.20862777e+00 -2.60977256e+00 -9.78446407e-01\n -1.43280284e+00 2.97779359e+00 -3.13247823e-01 -1.30684343e+00\n -4.07948784e-01 -2.58443653e+00 7.86454649e-01 2.46440609e+00\n -8.84371448e-01 9.71548427e-01 -2.41494091e+00 1.89811914e+00\n -1.77581994e-02 2.30208030e+00 2.85425951e+00 -1.77996041e+00\n -2.29019967e+00 -6.17607771e-01 -1.21534869e+00 -1.67374539e+00\n 2.26629602e+00 -1.83191912e+00 -4.83309137e-01 1.02127481e+00\n -5.32612983e-01 -2.79443994e+00 1.88775615e+00 1.91943396e+00\n 1.49534266e+00 4.24464975e-02 -5.97214519e-01 1.75544587e+00\n 1.01089745e+00 1.98229713e-01 -4.90315861e-01]\",[-120.42159858],114705,500,Maximum number of iterations has been exceeded.,False,1561,11.211589748930255,4is6,117.883811187975,6.199999809265137,120,65,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 11, 12), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 20, 21), (12, 15, 16, 17), (15, 16, 17, 18), (13, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 28, 29), (21, 24, 25, 26), (22, 28, 29, 30), (28, 29, 30, 31), (33, 32, 29, 28), (41, 40, 30, 29), (34, 33, 32, 29), (40, 41, 42, 43), (41, 42, 47, 48), (42, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 56, 57), (48, 51, 52, 53), (51, 52, 53, 54), (49, 56, 57, 58), (56, 57, 58, 59), (61, 60, 57, 56), (57, 58, 70, 71), (62, 61, 60, 57), (58, 70, 71, 72), (70, 71, 72, 73), (70, 71, 74, 75), (71, 72, 77, 78), (72, 77, 78, 79), (77, 78, 79, 80), (77, 78, 81, 82), (78, 79, 86, 87), (78, 81, 82, 83), (81, 82, 83, 84), (79, 86, 87, 88), (86, 87, 88, 89), (87, 88, 91, 92), (88, 91, 92, 93), (91, 92, 93, 94), (91, 92, 95, 96), (92, 93, 100, 101), (92, 95, 96, 97), (95, 96, 97, 98), (93, 100, 101, 102), (100, 101, 102, 103), (100, 101, 104, 105), (101, 102, 111, 112), (101, 104, 105, 106), (104, 105, 106, 107), (105, 106, 107, 108), (102, 111, 112, 113), (111, 112, 113, 114), (111, 112, 115, 116), (112, 115, 116, 117)]\"\n\"[ -0.73854379 -1.32404863 -1.25328422 22.60127784 -27.69179429\n -16.91292535 1.28419431 -0.58025836 0.44025524 1.96257748\n 1.41846987 2.63416294 0.85896866 -2.46763262 -0.45261158\n -2.29982368 -1.59631474 -1.7632285 1.31304218 -0.6226459\n -2.39439838 -1.73306014]\",[-58.79118967],78281,500,Maximum number of iterations has been exceeded.,False,520,3.263947761671771,3mlb,70.48929601131248,4.800000190734863,40,16,\"[(16, 34, 6, 24), (17, 35, 7, 25), (30, 20, 22, 32), (22, 20, 30, 0), (31, 21, 23, 33), (23, 21, 31, 1), (20, 22, 32, 2), (21, 23, 33, 3), (6, 24, 26, 30), (7, 25, 27, 31), (24, 26, 30, 0), (25, 27, 31, 1), (38, 28, 32, 2), (14, 38, 28, 32), (39, 29, 33, 3), (15, 39, 29, 33)]\"\n\"[ 1.01444812 0.10492378 2.83993254 2.04652627 -1.0718082 2.11343531\n 2.08910669 1.26893742 2.88442031 1.39880415 -2.88915666 0.88893381\n -2.91552049 -0.89662858]\",[-61.59847211],49233,311,Optimization terminated successfully.,True,319,2.0331310910803553,6mv3,29.255760114015512,3.3299999237060547,22,8,\"[(1, 0, 3, 15), (6, 7, 0, 1), (0, 3, 15, 16), (3, 15, 16, 18), (15, 16, 18, 17), (19, 17, 18, 16), (18, 17, 19, 20), (17, 19, 20, 21)]\"\n\"[-2.50224435 -1.6879741 -1.80707634 92.39463819 1.95723534 17.02508593\n -0.1308867 -1.93217894 -0.82659179 -2.43129844 0.62661701 -0.73642795]\",[-196.25210902],46553,293,Optimization terminated successfully.,True,491,4.931353471475478,4v04,205.9887005683336,8.109999656677246,39,6,\"[(30, 11, 1, 12), (29, 8, 28, 26), (30, 10, 32, 33), (9, 30, 11, 1), (6, 24, 26, 27), (8, 28, 26, 24)]\"\n\"[-2.75589768 1.69386761 1.01081169 21.63300903 -3.19538972 1.2446248\n -0.27468501 -2.26396828 1.68345679 -1.02459465 -2.19680119 1.65230049\n 0.10302448]\",[-95.22387311],49456,311,Optimization terminated successfully.,True,324,1.884974553876723,4qjx,85.49001229650302,7.28000020980835,27,7,\"[(1, 2, 3, 4), (1, 11, 19, 20), (9, 12, 13, 14), (12, 13, 16, 17), (13, 16, 17, 18), (21, 20, 19, 11), (22, 21, 20, 19)]\"\n\"[ 0.33409798 1.04172061 -0.57802615 2.71860835 29.72780684 5.03508551\n -0.24092313 -1.096451 -1.52852764 -0.70308579 -1.00343902 0.83782256\n -0.58742139 0.2148558 ]\",[-211.65889316],21840,134,Optimization terminated successfully.,True,442,1.6738892251001252,1oir,208.90817566687744,7.489999771118164,31,8,\"[(11, 10, 9, 1), (17, 16, 15, 13), (18, 17, 16, 15), (19, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 27, 28), (25, 27, 28, 29)]\"\n\"[-3.04488135e+00 -2.22948097e-01 -1.01084552e+00 -2.34377546e+01\n 2.32183407e+01 4.80867889e+02 1.77139565e+00 -7.66292293e-01\n 4.68336758e-01 4.43548421e-01]\",-176.6867869389837,10131,65,Optimization terminated successfully.,True,313,1.0412399398123051,5f1z,149.59157909895083,8.680000305175781,26,4,\"[(1, 0, 9, 8), (2, 11, 0, 1), (2, 12, 3, 13), (13, 14, 18, 4)]\"\n\"[ 1.05765762 -1.39409827 -0.50282004 7.71538678 11.16091925 15.93182682\n -1.34152178 2.11818857 0.10038213 -1.35032148 1.9964421 0.34315765\n 1.25894227 -0.943816 1.65983236 -0.80850351 0.72270456 2.59004653\n 3.03539465 -2.20748392 0.26171616 -1.81273984 -2.72097008 -2.52522133\n -0.29930523 -0.11395203 0.73930156 2.06188729 0.52587983]\",[-89.92405622],90774,500,Maximum number of iterations has been exceeded.,False,546,4.20023852456641,4rh5,94.31497936577219,6.900000095367432,52,23,\"[(0, 1, 2, 3), (5, 4, 1, 0), (1, 2, 11, 12), (6, 5, 4, 1), (2, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 17, 18), (13, 17, 18, 19), (17, 18, 19, 20), (18, 19, 22, 23), (19, 22, 23, 24), (22, 23, 24, 25), (27, 26, 23, 22), (39, 38, 24, 23), (28, 27, 26, 23), (30, 32, 33, 34), (32, 33, 34, 35), (38, 39, 40, 41), (39, 40, 45, 46), (40, 45, 46, 47), (45, 46, 47, 48), (45, 46, 49, 50)]\"\n\"[ -3.10634903 -0.63976761 0.2516619 -101.64472425 -108.46344697\n 86.65642925 -0.20549596 -1.43859103 -0.18069233 -2.22321811\n 0.50662527 0.41720047 2.80929944 0.31662014 -0.23685761\n 0.61073009 2.41676196 0.20791175 3.04479087 0.47886072\n 0.71451251 0.90604763 -0.2814851 -2.09260821 2.07650873\n -0.53602169 -0.74441782]\",[-109.80396567],82702,500,Maximum number of iterations has been exceeded.,False,803,5.6957987277054185,3rg2,155.7633405263022,4.199999809265137,52,21,\"[(19, 0, 23, 22), (19, 0, 30, 29), (20, 11, 10, 4), (12, 18, 22, 23), (18, 22, 23, 0), (18, 22, 51, 50), (25, 27, 29, 30), (27, 29, 30, 0), (31, 32, 34, 35), (32, 34, 35, 36), (34, 35, 36, 37), (35, 36, 39, 40), (36, 39, 41, 42), (39, 41, 43, 44), (41, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47), (45, 46, 48, 49), (46, 48, 49, 50), (48, 49, 50, 51), (49, 50, 51, 22)]\"\n\"[-1.79477417e+00 -8.47368604e-01 2.47452478e-01 3.18271886e+01\n 3.32859796e+01 2.81645043e+01 2.60070151e-01 -2.37814956e+00\n 2.23878739e-02 2.76245568e-02 -1.46106376e+00 -1.17736182e-01\n -2.61984203e+00 2.37358414e+00 1.27331503e+00 1.15438015e+00\n -2.86594751e+00 1.16870134e+00 1.90330710e+00 1.01696663e+00\n -9.72909348e-01 1.08129055e+00 2.14384188e+00 7.92547882e-01\n 1.63566777e+00 2.00619341e-01 4.27215176e-01 -1.68247841e+00\n -1.54636335e+00 8.51023565e-01 1.44925601e+00 -2.92323388e-01\n 3.04414822e+00 -9.69432202e-01 1.90255941e-02 1.04213608e+00\n -2.84861147e+00 2.93310152e+00 -2.68558624e-01 -1.22485927e+00\n -2.22383328e+00 -1.14084345e+00 -1.97733458e+00 -2.75039324e+00\n 1.54856814e+00 -1.35187596e-01 1.41836087e+00 2.47681318e+00\n -5.86436317e-01 -2.00648607e+00 1.52087840e+00 -3.11364961e+00\n 3.10269454e+00 1.43050110e+00 -1.32171568e-01 1.25141954e-01\n 1.92374035e+00 -2.20937975e+00 1.82617395e+00 -9.89079099e-01\n -2.91465814e+00 -6.27344442e-01 4.74606864e-01 -1.67574303e+00]\",[-116.63006783],99442,500,Maximum number of iterations has been exceeded.,False,1510,10.532203788901647,1r5w,118.61063960882551,5.539999961853027,104,58,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 13, 14), (6, 9, 10, 11), (7, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (14, 15, 21, 22), (14, 17, 18, 19), (15, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (22, 23, 29, 30), (22, 25, 26, 28), (23, 29, 30, 31), (29, 30, 31, 32), (30, 31, 34, 35), (31, 34, 35, 36), (34, 35, 36, 37), (39, 38, 35, 34), (35, 36, 46, 47), (40, 39, 38, 35), (36, 46, 47, 48), (46, 47, 48, 49), (51, 50, 47, 46), (47, 48, 57, 58), (52, 51, 50, 47), (48, 57, 58, 59), (57, 58, 59, 60), (57, 58, 61, 62), (58, 59, 66, 67), (58, 61, 62, 63), (61, 62, 63, 64), (62, 63, 64, 65), (59, 66, 67, 68), (66, 67, 68, 69), (67, 68, 71, 72), (68, 71, 72, 73), (71, 72, 73, 74), (72, 73, 76, 77), (73, 76, 77, 78), (76, 77, 78, 79), (76, 77, 80, 81), (77, 78, 83, 84), (78, 83, 84, 85), (83, 84, 85, 86), (83, 84, 87, 88), (84, 85, 92, 93), (84, 87, 88, 89), (87, 88, 89, 90), (88, 89, 90, 91), (85, 92, 93, 94), (92, 93, 94, 95), (97, 96, 93, 92), (98, 97, 96, 93)]\"\n\"[ 0.04633375 0.25113866 -2.20431619 34.22325279 -14.66509265\n 10.47998276 0.22095195 1.20252835 2.94807636 2.74695099\n -0.27136019]\",-148.44152178207594,11956,75,Optimization terminated successfully.,True,274,0.9373285924820607,4z7h,126.63572947183562,6.659999847412109,24,5,\"[(10, 14, 0, 2), (18, 3, 4, 21), (7, 6, 15, 16), (6, 15, 16, 1), (2, 18, 23, 5)]\"\n\"[ 1.29016679 -1.90307787 2.91689731 23.36361325 23.83644552 15.29242118\n 1.94583699 -0.59177201 2.06241444 -2.66435938 1.14633252 2.57875725\n -0.60295768 -1.58873547 -3.09631434 0.88861432 -0.4173345 -1.94591675\n 2.42573327 -2.542076 -1.70625972 2.57856918]\",[-96.92544014],79891,500,Maximum number of iterations has been exceeded.,False,461,4.396859901776069,2psu,194.01456822730228,7.619999885559082,36,16,\"[(4, 3, 1, 0), (0, 1, 11, 12), (4, 5, 6, 7), (13, 12, 11, 1), (1, 11, 16, 17), (14, 13, 12, 11), (11, 16, 17, 18), (16, 17, 19, 20), (21, 20, 19, 17), (17, 19, 27, 28), (22, 21, 20, 19), (19, 27, 28, 29), (27, 28, 30, 31), (28, 30, 31, 32), (30, 31, 32, 33), (31, 32, 34, 35)]\"\n\"[-1.0692159 2.45614838 1.80432389 14.75525028 11.45674058 57.28741\n 1.68664858 -2.93575574 -2.96665217 -0.1845877 0.96587609 -0.53303759\n -0.22539674]\",[-141.15154564],47270,296,Optimization terminated successfully.,True,442,3.348464974060125,3mrx,130.41593901119003,3.390000104904175,25,7,\"[(3, 0, 1, 15), (0, 1, 15, 2), (7, 4, 15, 1), (18, 17, 7, 4), (9, 11, 13, 14), (20, 21, 16, 24), (19, 18, 17, 7)]\"\n\"[ 1.47584886 1.59313812 1.28481443 -13.2772357 -1.0047413\n -71.04453259 -1.86050195 1.20286894 -0.21703089 -0.92525498\n -2.26980598 0.60887446 -0.76546358 -0.62608743 1.65842438\n -1.98263557 2.97796733 2.83877677 1.57140126 1.67384508\n 1.61174488 -1.51609023 -1.15158237 -0.68826272 -0.13545969\n -1.62688339 -2.3520139 -0.60024439]\",[-57.17382098],86169,500,Maximum number of iterations has been exceeded.,False,702,3.9016178350138238,4j2t,61.01203741278682,7.960000038146973,51,22,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (10, 9, 7, 6), (11, 10, 9, 7), (11, 12, 13, 14), (12, 13, 14, 15), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 23, 24), (21, 23, 24, 25), (19, 26, 27, 28), (26, 27, 28, 29), (27, 28, 30, 31), (28, 30, 31, 32), (10, 43, 44, 45), (43, 44, 45, 46), (44, 45, 47, 48), (45, 47, 49, 50)]\"\n\"[ 7.68424533e-01 -8.89865766e-02 2.47827845e-01 -1.38391275e+01\n -2.88012978e+01 3.93234136e+01 2.90957244e+00 3.52747587e-02]\",-39.82824646445239,16301,105,Optimization terminated successfully.,True,139,0.6462595827406292,6cvd,30.671461764377398,4.0,13,2,\"[(0, 1, 2, 3), (5, 4, 2, 1)]\"\n\"[ -1.76654322 0.21419249 -1.28847789 -22.96429565 -0.66697552\n 23.27415427 0.17317401 2.36797482 -1.42621644 -0.35206878\n 0.88880306 -1.53188257 -1.10344941 1.2556668 -2.0858243\n -1.13385078 -2.22879747 -1.28007801 1.63941257 2.60922936\n 2.26205865 0.86813622 -0.17866943 0.37814908 1.60840888\n 0.63962053 1.54832011 0.70434912 0.85064518 0.26773834\n -1.54126684 1.33818594 -1.6805744 -1.2987545 -1.07713037\n 0.6865594 -0.77327776 0.4460223 -0.36368774 -2.86969926\n 2.62956895 1.79629499 -1.45804915 -1.10535138 1.39152885\n 0.87492557 1.20511735]\",[-90.69190202],100572,500,Maximum number of iterations has been exceeded.,False,921,6.533172562930757,3f9y,104.85363090742656,4.489999771118164,67,41,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 20, 21), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (11, 20, 21, 22), (20, 21, 22, 23), (25, 24, 21, 20), (21, 22, 30, 31), (26, 25, 24, 21), (22, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 41, 42), (31, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (32, 41, 42, 43), (41, 42, 43, 44), (41, 42, 49, 50), (42, 43, 44, 45), (43, 44, 45, 46), (44, 45, 46, 47), (45, 46, 47, 48), (42, 49, 51, 52), (49, 51, 52, 53), (51, 52, 53, 54), (51, 52, 55, 56), (52, 53, 58, 59), (53, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (59, 62, 63, 64)]\"\n\"[ 1.76388611 1.32701751 -0.82275301 12.43782789 12.17381503\n -39.02754832 3.03726019 -1.19681347 2.11282262 0.17783426\n -0.08185941 1.01938439 2.33845633 -1.13224295]\",[-83.36832897],42844,270,Optimization terminated successfully.,True,437,2.183284988052883,2vt3,80.59124100634452,4.150000095367432,31,8,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 11, 8), (9, 8, 11, 4), (9, 8, 12, 13), (14, 13, 12, 8), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n\"[ -1.33798881 1.92678536 1.81006054 -1.88987004 -15.09642194\n -1.54529725 2.96968156 1.75279298 2.51425487 2.63150853\n -0.29114968]\",[-235.14823572],19262,118,Optimization terminated successfully.,True,273,1.2303821401941395,4hvg,204.89028703542544,7.769999980926514,21,5,\"[(1, 0, 9, 10), (19, 18, 7, 6), (0, 9, 10, 12), (9, 10, 12, 13), (10, 12, 14, 15)]\"\n\"[ 7.63742214e-01 2.48454890e+00 -2.83322904e+00 -9.08948117e-02\n 2.58850846e+01 6.96560730e+00 6.19840654e-01 2.81193484e+00\n 1.34083180e-02]\",[-87.50842908],52101,336,Optimization terminated successfully.,True,268,0.7406067835282322,1h0w,64.14527377644875,4.889999866485596,18,3,\"[(0, 5, 6, 7), (12, 7, 6, 5), (13, 12, 7, 6)]\"\n\"[-0.99532237 -0.14104771 1.50965087 41.32552923 -5.32374062 37.29565784\n 2.56931344 2.50934366 -2.2828941 -0.67781604 2.60532535 -0.99856482\n 0.69524172]\",[-145.34753783],35590,217,Optimization terminated successfully.,True,569,2.1922275076828988,1a1b,123.7779626836002,6.400000095367432,39,7,\"[(38, 37, 40, 41), (41, 42, 57, 58), (48, 50, 51, 52), (50, 51, 52, 55), (58, 59, 67, 73), (68, 67, 73, 74), (73, 67, 68, 69)]\"\n\"[ 3.04473717e-03 -7.57853329e-01 -2.08530975e+00 -4.55087427e+01\n 2.56284246e+01 5.60998869e-01 -9.15907509e-01 -3.14741925e-01]\",[-100.53636212],13624,82,Optimization terminated successfully.,True,272,0.7337161774269495,4pm0,81.20371793331913,7.349999904632568,20,2,\"[(1, 2, 13, 17), (15, 14, 9, 1)]\"\n\"[ 2.70500622 -1.80646786 -0.56816139 63.77008165 -9.38983503 41.56214792\n -0.87781552 -0.39086907 -1.22978297 -0.70419476 0.8805258 -0.28531147\n -0.94191107 -1.41748277 2.97549393 -0.16123739 -0.13981471 -1.05636273]\",[-67.27217027],82397,500,Maximum number of iterations has been exceeded.,False,426,4.494461079231148,5dkn,36.90734951908515,3.690000057220459,31,12,\"[(23, 21, 1, 0), (3, 4, 12, 13), (7, 6, 20, 19), (27, 22, 9, 8), (4, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (6, 20, 19, 18)]\"\n\"[ 0.63111615 -1.93057356 -1.41094779 6.33635383 -5.11405941 17.86638148\n -1.48374647 2.20769222 -0.53945149 -2.43750928]\",[-105.43090057],22655,146,Optimization terminated successfully.,True,250,1.5737678470092589,2cgw,96.28717970017881,4.760000228881836,20,4,\"[(7, 6, 5, 1), (6, 8, 9, 10), (8, 9, 10, 11), (15, 14, 13, 7)]\"\n\"[ 1.07891581 -2.68358494 2.4645205 35.48924731 32.13839652 0.3859405\n 2.5394706 -0.23481508 -0.47466825 1.38169602]\",[-159.45650967],12322,70,Optimization terminated successfully.,True,282,1.892758950907269,2v3d,119.28071984741021,3.940000057220459,15,4,\"[(3, 2, 1, 0), (2, 9, 11, 12), (9, 11, 12, 13), (11, 12, 13, 14)]\"\n\"[ 1.08482969 -0.05328755 -2.59066483 1.9142574 -8.0155032\n -15.02263816 -2.25224584 0.87203105 -0.74606324 2.02516175\n -0.07128277 -0.28219597 0.57830226 2.13224557]\",[-165.72779539],53200,339,Optimization terminated successfully.,True,365,2.5056891805683406,5ul1,143.3772486898426,6.639999866485596,31,8,\"[(17, 0, 1, 16), (1, 0, 30, 3), (0, 1, 16, 2), (23, 24, 5, 6), (7, 8, 9, 4), (10, 29, 9, 4), (11, 10, 29, 9), (19, 21, 30, 0)]\"\n\"[ 0.2366242 0.50925685 2.10392489 13.07205609 12.56381397 3.44806619\n 1.888652 1.16269543 0.27393851]\",[-130.5798894],21551,136,Optimization terminated successfully.,True,377,1.9673699646613387,4g3f,104.34969668000475,8.359999656677246,22,3,\"[(8, 9, 2, 10), (2, 9, 8, 0), (15, 14, 11, 10)]\"\n\"[-2.65001992e-02 9.68945852e-01 -2.32106629e+00 -7.90091965e+01\n 8.60984914e+01 9.31228419e+01]\",[-167.25397881],5901,34,Optimization terminated successfully.,True,274,0.00015651348254963168,3h2f,156.11299236257568,4.059999942779541,13,0,[]\n\"[-2.14838319e+00 -2.03446832e+00 6.02697847e-01 -4.03887545e+01\n -7.29067421e+00 2.20413410e+02 -1.32034941e+00 1.22897299e-01\n 8.44460444e-01 1.99937198e-01 2.17515820e+00]\",[-82.49923564],78006,500,Maximum number of iterations has been exceeded.,False,283,1.3557130911619306,1lv8,93.86800446721325,5.460000038146973,20,5,\"[(1, 0, 11, 12), (0, 11, 12, 13), (11, 12, 14, 16), (12, 14, 16, 15), (19, 15, 16, 14)]\"\n\"[ 0.79515591 1.22598488 -2.91905832 -22.70729166 52.41738115\n -2.53657945 -0.65107391 -1.62899243 2.4880155 -1.21157182\n -1.56059282 1.17298564 -0.12168889 1.72789965 1.36726579\n 2.84712633 0.09485214 1.99850677 0.92927385 0.28347002\n -2.22981406]\",[-55.81165446],85884,500,Maximum number of iterations has been exceeded.,False,458,3.697833025826206,3k0k,78.57375581463089,5.429999828338623,36,15,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 3, 6), (2, 3, 6, 7), (11, 10, 4, 1), (10, 11, 12, 13), (11, 12, 17, 18), (12, 17, 18, 19), (17, 18, 19, 20), (17, 18, 21, 22), (18, 19, 24, 25), (19, 24, 25, 26), (24, 25, 26, 27), (29, 28, 25, 24), (30, 29, 28, 25)]\"\n\"[ -0.98271173 2.20011692 0.6562601 -23.07489639 14.27387915\n -20.67862253 2.74811732 1.44727551 -2.94045059 2.18046965\n 0.96064284 0.24430725 -2.62511316 -0.65108972 -1.99604328]\",[-143.00761048],77534,500,Maximum number of iterations has been exceeded.,False,491,2.392422608886755,3q71,166.17116906921905,5.21999979019165,36,9,\"[(17, 12, 9, 3), (13, 10, 25, 11), (13, 10, 33, 32), (14, 11, 25, 10), (14, 11, 35, 34), (23, 28, 32, 33), (26, 30, 34, 35), (28, 32, 33, 10), (30, 34, 35, 11)]\"\n\"[ 0.20856636 -3.0156481 2.87437221 -1.06789853 25.3015629 22.48042109\n -1.36699418 1.5588042 1.5431463 -2.39268362 1.18297393 -0.57809826\n -1.81820621 0.50608428 1.56031653]\",[-98.61014241],76270,500,Maximum number of iterations has been exceeded.,False,377,2.862149095383402,1y6b,210.60428701418823,7.420000076293945,34,9,\"[(0, 1, 3, 4), (9, 8, 1, 0), (5, 4, 3, 1), (6, 5, 4, 3), (17, 16, 12, 11), (10, 13, 14, 15), (18, 17, 16, 12), (23, 22, 19, 18), (29, 28, 24, 23)]\"\n\"[ 1.33453592 0.18500419 2.0564116 23.98288209 6.56724764 0.72991059\n -2.26160538 -3.112499 -0.75062559]\",[-96.90583428],25442,153,Optimization terminated successfully.,True,207,1.45292092083215,6di0,87.31152350793127,5.21999979019165,16,3,\"[(12, 11, 1, 0), (2, 10, 8, 7), (5, 12, 11, 1)]\"\n\"[ 0.46661712 -1.52182334 -2.10898823 52.67435669 -14.18254551\n -5.75011865 -2.63791276 -0.16371066 0.40951545 -1.62366122]\",[-59.58031513],13505,85,Optimization terminated successfully.,True,200,1.8466078169379752,4osf,53.01382791080952,5.440000057220459,12,4,\"[(3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9)]\"\n\"[-7.46971173e-02 1.64104963e+00 8.08692993e-01 6.51533524e+01\n 1.26961685e+02 3.54337080e+01 2.23304373e+00 5.15371827e-01\n -3.11966851e+00]\",[-86.00729235],27162,173,Optimization terminated successfully.,True,229,1.3262086215938274,4o7e,65.61340169551843,5.239999771118164,24,3,\"[(7, 6, 3, 2), (18, 17, 8, 7), (12, 11, 9, 8)]\"\n\"[ 0.68196434 0.38409435 -0.56913142 69.92128788 49.0687083 6.65610083\n -0.50986757 1.52358889 -0.11774681]\",-77.7063270650007,14745,94,Optimization terminated successfully.,True,253,0.8237395425966619,2va6,53.49083711705916,6.170000076293945,24,3,\"[(3, 2, 1, 0), (9, 8, 6, 5), (11, 12, 13, 14)]\"\n\"[ 0.51693556 -0.93542426 1.53258274 -1.58724643 -8.3572658 -6.86506144\n -1.92600808 -2.30004637 -1.6628312 0.04429854 -0.59858011 2.24644153\n -1.88402044 -1.05314603 -0.47407657]\",-205.63204159702516,75486,500,Maximum number of iterations has been exceeded.,False,416,1.7123387874134819,5h0e,201.54773862652314,6.679999828338623,38,9,\"[(12, 11, 6, 0), (17, 10, 8, 1), (13, 14, 23, 25), (30, 22, 19, 18), (31, 30, 22, 19), (14, 23, 25, 24), (36, 24, 25, 23), (23, 25, 26, 27), (25, 26, 27, 28)]\"\n\"[ 1.70588473 1.97651072 0.7260668 39.72379484 -18.84050842\n 20.1617104 1.67695125 -0.91011002 2.91598367 -0.47834259\n -1.63341001 1.46633156 0.90423842 -1.24692656]\",[-255.97038482],65215,414,Optimization terminated successfully.,True,561,2.8016122609988225,5wb6,253.529103864888,10.699999809265137,47,8,\"[(3, 2, 10, 11), (2, 10, 11, 12), (10, 11, 12, 13), (7, 14, 13, 12), (1, 19, 15, 14), (8, 27, 30, 31), (27, 30, 31, 32), (30, 31, 33, 34)]\"\n\"[ 0.53783444 1.4323257 -0.85533318 -22.30800647 -13.80793675\n 10.13299788 3.01842134 -0.37793394 -1.59244469 -0.48732997\n 3.10921372 -3.09131625 3.06894255 -3.0916892 0.59797701\n -2.85181087 0.10504003 3.11814539 -2.17733599 0.36657299\n 1.2727147 1.29850243 2.13151314 0.11643353 -3.01374443\n -2.5172609 0.16515864 -3.13037641 0.12667155 0.22501349\n -1.18656989 2.76770455 -1.386416 0.48417604]\",-77.03521755967805,85905,500,Maximum number of iterations has been exceeded.,False,1091,3.6850940231201386,4u2w,97.66973111872451,6.0,112,28,\"[(0, 1, 2, 3), (5, 4, 2, 1), (6, 5, 4, 2), (15, 14, 11, 10), (16, 15, 14, 11), (24, 25, 28, 29), (31, 32, 35, 36), (32, 35, 36, 37), (35, 36, 37, 38), (36, 37, 38, 39), (40, 41, 44, 45), (46, 47, 50, 51), (47, 50, 51, 53), (68, 69, 72, 73), (81, 82, 83, 84), (82, 83, 87, 88), (83, 87, 88, 89), (87, 88, 89, 90), (92, 91, 88, 87), (88, 89, 98, 99), (93, 92, 91, 88), (89, 98, 99, 100), (98, 99, 100, 101), (98, 99, 102, 103), (99, 100, 105, 106), (100, 105, 106, 107), (105, 106, 107, 108), (105, 106, 109, 110)]\"\n\"[ 2.02803408 -2.41309379 0.79059458 2.8213178 18.52872075 26.18867244\n 2.83505594 -0.39607924]\",[-123.44428935],11540,69,Optimization terminated successfully.,True,313,0.4807799277984557,1rt9,103.90108758244867,10.25,19,2,\"[(3, 2, 1, 0), (10, 9, 8, 3)]\"\n\"[ 0.53529378 0.73225194 -2.66547835 -12.99444906 25.78698561\n 6.05129089 -1.67846967 0.98817175]\",[-166.93221246],6835,40,Optimization terminated successfully.,True,268,0.36381798609818744,4daf,139.5204977442485,7.119999885559082,18,2,\"[(8, 12, 13, 14), (12, 13, 15, 16)]\"\n\"[ 3.01092476 -0.0936672 2.9950707 15.6473297 29.22842955\n -11.33635762 -1.71540028 -2.16650712 0.73938618 1.50039707\n -0.3143852 2.40954705 -1.28523599]\",[-159.17531224],28116,176,Optimization terminated successfully.,True,389,2.3616892001225382,4h5d,140.36323018488233,7.550000190734863,26,7,\"[(0, 1, 4, 5), (1, 4, 5, 6), (10, 9, 4, 1), (11, 10, 9, 4), (17, 16, 15, 11), (18, 21, 22, 23), (21, 22, 23, 24)]\"\n\"[ 1.09204878e+00 2.75045940e-02 -2.23179926e-01 4.14307717e+01\n 3.61885129e+01 1.22474662e+01 -2.15338437e+00 7.91724915e-01\n 1.92221276e+00]\",[-119.24686402],18970,119,Optimization terminated successfully.,True,357,1.9445862958429871,5kby,125.13640536142232,8.819999694824219,26,3,\"[(2, 13, 1, 0), (18, 19, 4, 20), (4, 19, 18, 1)]\"\n\"[-3.1020513 1.18877601 0.33979461 -8.48887681 23.65033389 27.64403412\n 1.26176315 -0.52189754 -0.22582357 -2.78087561 -1.26261852 -2.39133777\n -1.3275369 0.52582708 1.954445 -0.99827369 0.40834726 -0.64873632\n -0.24560623 -0.83585479]\",[-104.25406085],81987,500,Maximum number of iterations has been exceeded.,False,773,5.587492359068576,1bwb,267.0200780999733,8.420000076293945,62,14,\"[(0, 49, 1, 7), (12, 7, 1, 49), (22, 21, 2, 49), (29, 28, 5, 4), (0, 50, 6, 35), (40, 35, 6, 50), (8, 9, 13, 60), (14, 51, 13, 9), (52, 14, 51, 13), (27, 22, 21, 2), (34, 29, 28, 5), (36, 37, 41, 54), (42, 54, 41, 37), (55, 42, 54, 41)]\"\n\"[6.48353425e-01 8.85887340e-01 1.89101907e+00 1.77984967e+01\n 4.69718418e+01 6.84253377e+01 1.68949937e-02 3.05947578e+00]\",[-57.04590522],13787,81,Optimization terminated successfully.,True,150,1.256625155423225,2gkl,10.976122224110595,5.349999904632568,12,2,\"[(4, 3, 1, 0), (6, 7, 9, 10)]\"\n\"[ 0.17091579 -0.26373719 0.79252986 26.39956694 28.13787414 2.3907648\n -0.6210892 0.50121764 0.21867019]\",-8.45644401218679,38001,246,Optimization terminated successfully.,True,118,1.5507885837483493,4wkt,3.7170725716358244,3.259999990463257,6,3,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5)]\"\n\"[-0.90913857 -1.89739175 1.89820427 6.07471005 21.96894598 -3.69800151\n -2.02429093 -1.9436803 -0.04438216 -1.6898151 -2.76344232 -1.55056825\n -1.89609665 2.8503308 0.74207796 2.16507697 -1.99839109 2.72654678\n -1.54795929 -2.88276346 2.17129334]\",[-72.45931075],85620,500,Maximum number of iterations has been exceeded.,False,465,3.193687440437478,1fmb,74.77657209047544,10.0,40,15,\"[(1, 0, 35, 33), (1, 0, 37, 38), (5, 6, 34, 33), (13, 14, 16, 17), (16, 15, 26, 25), (26, 15, 16, 14), (18, 17, 16, 14), (19, 18, 17, 16), (31, 24, 25, 26), (25, 24, 31, 32), (24, 25, 26, 27), (24, 25, 28, 29), (24, 31, 33, 34), (6, 34, 33, 31), (31, 33, 35, 0)]\"\n\"[ 1.90009202 -0.35957187 -1.08775891 -43.99680438 -27.01778802\n 17.61754314 1.83079221 -2.47640779 1.68508696 -3.02968284\n 2.99230228 -2.01224509]\",[-69.35652037],17732,107,Optimization terminated successfully.,True,370,2.5968129140868155,3ehn,32.32281013163768,1.9199999570846558,26,6,\"[(0, 2, 3, 4), (2, 3, 4, 5), (22, 10, 9, 7), (15, 22, 10, 9), (9, 11, 12, 13), (19, 20, 21, 23)]\"\n\"[-2.21485847 2.93699224 1.5890133 5.4778019 19.47644432 15.22288629\n 1.82820219 -2.76558455 -0.03351776 -0.02772385]\",[-72.86648408],20585,130,Optimization terminated successfully.,True,298,2.1809603968818765,5cnm,49.19423622888909,6.809999942779541,19,4,\"[(0, 1, 5, 14), (3, 9, 4, 15), (8, 18, 6, 11), (6, 18, 8, 0)]\"\n\"[-2.73465906e+00 -7.38531509e-01 -1.16222654e-01 1.16976246e+01\n 1.20519800e+00 -9.97725382e+00 -2.05907512e+00 -1.04243870e+00\n 7.33182488e-03 -2.53310638e+00 -9.62902544e-01 -1.32582737e+00\n 2.28185448e+00 1.92263385e+00 9.32493129e-01 -7.67686262e-01\n 1.53064020e+00 -2.56310682e+00]\",-47.65427508267658,35715,217,Optimization terminated successfully.,True,488,2.3557110515701716,2lha,23.967409839435497,5.190000057220459,36,12,\"[(1, 0, 6, 7), (0, 1, 11, 12), (1, 2, 16, 17), (2, 3, 21, 22), (3, 4, 26, 27), (0, 5, 31, 32), (0, 6, 7, 8), (1, 11, 12, 13), (2, 16, 17, 18), (3, 21, 22, 23), (4, 26, 27, 28), (5, 31, 32, 33)]\"\n\"[ 0.22645813 0.74400083 -0.64909023 21.13991943 -44.86840903\n -4.9565413 -3.07736283 2.72172831 -0.14675599 2.01893929\n 1.72952928 -0.08017362 -1.87157964 -1.39018817]\",-67.92446656177675,73465,474,Optimization terminated successfully.,True,361,3.6905316476561225,5emm,58.277617583812905,7.739999771118164,30,8,\"[(0, 9, 10, 11), (9, 10, 11, 12), (10, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 16), (18, 17, 15, 14), (24, 23, 22, 18), (25, 24, 23, 22)]\"\n\"[-2.27482006 0.79042985 0.87103663 51.93298743 20.38163627 3.38360628\n -0.27006692 2.86905214]\",[-79.21534185],16285,103,Optimization terminated successfully.,True,361,1.0725899958310718,6ck6,74.09878601699592,9.0,25,2,\"[(18, 17, 14, 13), (19, 18, 17, 14)]\"\n\"[-0.51775987 1.79254285 2.69150257 -7.81489779 36.54232685 3.257539\n -0.58612615 1.00544767 2.19514928 -1.56147641 2.80379421 1.46639946\n 0.09790186]\",-175.09228967062174,42258,268,Optimization terminated successfully.,True,483,1.008553821956676,4b9k,175.77959323397425,6.170000076293945,32,7,\"[(6, 5, 4, 2), (7, 6, 5, 4), (6, 7, 8, 9), (7, 8, 9, 10), (11, 10, 9, 8), (12, 11, 10, 9), (16, 15, 14, 13)]\"\n\"[ 1.25162683 0.65037701 1.69629511 -12.40834646 14.26274777\n -17.58449297 -0.59100201 -2.86333616]\",[-44.76889925],14317,91,Optimization terminated successfully.,True,161,0.6123893774528272,5os1,27.27116274769283,3.309999942779541,13,2,\"[(2, 7, 10, 8), (7, 10, 8, 9)]\"\n\"[ -1.44875142 -0.26317295 0.72490959 15.08630193 126.99293352\n 9.61554579 2.18134581 2.37132047 -1.77362228 2.56194705\n -0.52685778 -0.22252712]\",[-113.04320943],58630,362,Optimization terminated successfully.,True,358,1.3263737408201255,6fa5,94.65774240384448,6.75,27,6,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 8, 9), (10, 9, 8, 4), (11, 10, 9, 8), (18, 17, 16, 11)]\"\n\"[ 2.41809207e+00 -1.68677514e+00 2.01635124e+00 -1.65843135e+01\n 1.43789697e+02 4.55076681e+01 -1.12015302e+00 -1.81664687e+00\n 7.47095800e-02 1.92643485e+00 -2.87442502e+00 -1.17502555e+00\n -1.11574911e-01 1.70859748e+00 1.89907594e+00 -1.58941868e-01\n -2.09341029e+00 2.08151814e+00]\",-112.57718790579675,81561,500,Maximum number of iterations has been exceeded.,False,406,2.562056009430737,3u7l,105.58118599994694,7.28000020980835,31,12,\"[(2, 0, 5, 1), (2, 0, 19, 20), (10, 1, 5, 0), (5, 1, 10, 11), (0, 5, 6, 7), (13, 12, 10, 1), (14, 13, 12, 10), (0, 19, 20, 21), (26, 25, 19, 0), (19, 20, 21, 22), (20, 21, 23, 24), (27, 26, 25, 19)]\"\n\"[-2.02477892 2.81011487 2.29573098 -0.65962107 5.0530309 6.0355414\n 2.09579659 -2.26104358 2.4525111 0.35679229 0.45868311 1.37874897\n -2.51574017 -1.27862331 -1.74594994 1.63603116]\",[-209.60152366],57592,353,Optimization terminated successfully.,True,445,2.224191216085556,5h0h,223.97490534703078,6.159999847412109,40,10,\"[(23, 22, 6, 3), (10, 9, 8, 4), (16, 15, 12, 11), (17, 16, 15, 12), (24, 25, 28, 29), (25, 28, 29, 30), (28, 29, 30, 37), (28, 29, 31, 32), (29, 30, 37, 38), (29, 31, 33, 34)]\"\n\"[ -0.79957245 -2.26658619 2.48147805 -17.11675891 -50.7095848\n -34.6165644 ]\",[-40.7578214],7547,46,Optimization terminated successfully.,True,122,3.4496714188259215e-05,4whq,32.23796395714635,4.119999885559082,9,0,[]\n\"[-0.55968074 0.32270587 -1.15098661 19.2337843 52.75450149 34.36361723\n 0.94104245 2.66527629 1.28472891 0.78356624 -0.17083085 -1.57394247\n 1.46201306 1.3288685 ]\",[-76.30446614],45139,285,Optimization terminated successfully.,True,331,1.7112095544079005,1yly,57.77975015822058,7.820000171661377,22,8,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 7, 8), (12, 11, 7, 5), (7, 8, 9, 10), (8, 9, 10, 17), (9, 10, 19, 20)]\"\n\"[ 0.2570647 -2.04654363 0.78841236 20.67927425 -2.41557667 2.61556287\n -2.52705661 -1.80588161 2.96028403 2.10770236 3.12097962 0.63193368\n 0.5023391 -2.20034152 0.37327784 3.1347334 1.84716084 1.705094\n 2.09894013 -1.26242328]\",[-121.46079443],81840,500,Maximum number of iterations has been exceeded.,False,690,5.079004327906871,4url,133.3640709926829,6.300000190734863,64,14,\"[(1, 0, 56, 57), (0, 3, 60, 61), (5, 11, 12, 13), (11, 12, 14, 15), (12, 14, 15, 16), (18, 17, 15, 14), (27, 26, 25, 18), (28, 27, 26, 25), (32, 38, 39, 40), (44, 46, 47, 48), (52, 51, 50, 42), (3, 52, 53, 54), (0, 56, 57, 58), (3, 60, 61, 62)]\"\n\"[ -2.28774433 -1.95854961 2.53150676 -11.39239024 29.81112653\n 8.76299502 -2.73573656 2.74391153 0.04956203]\",[-56.57262725],68127,438,Optimization terminated successfully.,True,220,1.4716547934788617,5n16,28.97530237357192,5.300000190734863,30,3,\"[(28, 27, 2, 12), (15, 21, 17, 3), (5, 19, 18, 1)]\"\n\"[ 3.09382953 1.92424574 -0.05362315 27.11471081 34.45465415 11.71079317\n 0.69824787 0.25221804 2.85358355 1.87614835 -0.37799695 -0.87372259\n -1.96505417 0.97185682 -1.37468062]\",[-121.40382182],56938,366,Optimization terminated successfully.,True,551,2.429208081737621,4kju,93.67105194993597,8.220000267028809,41,9,\"[(3, 2, 1, 0), (13, 12, 11, 2), (14, 13, 12, 11), (14, 16, 18, 19), (16, 18, 19, 20), (18, 19, 21, 22), (19, 21, 23, 24), (17, 31, 32, 33), (35, 34, 32, 31)]\"\n\"[-1.21008795 -0.65087529 -0.86153293 12.23248928 12.38742822 38.0133926\n 0.72337037 1.6208865 2.65956936 2.99353995 -2.9917797 -0.97341438]\",[-74.20689535],56277,346,Optimization terminated successfully.,True,230,1.625707539772211,1nym,60.29478548854201,5.400000095367432,17,6,\"[(0, 1, 2, 3), (2, 3, 4, 5), (12, 11, 3, 2), (3, 4, 6, 7), (4, 6, 7, 8), (6, 7, 8, 9)]\"\n\"[ 1.98087215e+00 -5.48769267e-02 -2.34836130e+00 8.02298214e+01\n 4.33542040e+01 2.67748240e+00 -8.90709306e-01 -1.67248830e+00\n -4.66169754e-01 -7.07850275e-01 -2.02899484e+00 -2.48822336e+00\n 1.46563501e+00 -8.90103066e-01 -7.77676912e-01 1.69512383e+00\n 4.91516101e-01 -1.24836606e+00 6.34767857e-01 2.27730250e+00\n 1.10088789e+00 1.75298338e+00 2.38282848e+00 6.29657865e-01\n -1.73606680e+00 2.20559469e+00 1.81216446e+00 -2.16821462e+00\n -5.79819461e-01 -2.93270874e+00 -2.43262570e+00 -1.92502003e+00\n -4.10235198e-01 -1.69081176e+00 -1.87282156e-01 2.95669704e+00\n 2.21682216e+00 2.51516118e+00 3.39520635e-01 1.51696101e+00\n -8.28814667e-01 -2.09295329e+00 -2.82955069e+00 -7.45115927e-01\n 1.92154359e+00 -4.25102218e-01 2.78737356e+00 -3.05330054e+00\n 1.86276114e+00 1.21510554e-01 -1.62313370e+00]\",[-73.81286142],81593,500,Maximum number of iterations has been exceeded.,False,765,7.073422848974997,1yvh,100.04428388903219,7.369999885559082,83,45,\"[(0, 1, 4, 5), (0, 1, 2, 3), (1, 2, 11, 12), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 11, 12, 15), (11, 12, 13, 14), (12, 13, 16, 17), (13, 16, 17, 20), (16, 17, 20, 22), (16, 17, 18, 19), (17, 18, 23, 24), (18, 23, 24, 27), (23, 24, 27, 28), (23, 24, 25, 26), (24, 25, 32, 33), (24, 27, 28, 29), (27, 28, 29, 31), (25, 32, 33, 36), (32, 33, 36, 37), (32, 33, 34, 35), (33, 34, 40, 41), (33, 36, 37, 39), (34, 40, 41, 44), (40, 41, 44, 45), (40, 41, 42, 43), (41, 42, 49, 50), (41, 44, 45, 46), (44, 45, 46, 48), (42, 49, 50, 51), (49, 50, 51, 52), (54, 53, 50, 49), (50, 51, 65, 66), (55, 54, 53, 50), (57, 59, 60, 61), (59, 60, 61, 62), (51, 65, 66, 69), (65, 66, 69, 70), (65, 66, 67, 68), (66, 67, 71, 72), (67, 71, 72, 75), (76, 75, 72, 71), (71, 72, 73, 74), (77, 76, 75, 72)]\"\n\"[-2.23898880e+00 -5.54608495e-02 9.39993678e-02 1.82721292e+01\n -7.70451159e+00 5.11464918e+00 5.50317725e-01 2.03936609e+00\n 2.20840201e+00 1.40512349e+00 1.09379746e+00 1.72563989e+00\n -1.25657175e-02 2.04577269e+00]\",[-216.94259508],57027,362,Optimization terminated successfully.,True,517,1.8912700991937745,3el7,189.50422686028384,6.320000171661377,36,8,\"[(0, 10, 9, 5), (16, 15, 14, 1), (17, 16, 15, 14), (17, 21, 22, 23), (21, 22, 23, 24), (26, 25, 23, 22), (27, 26, 25, 23), (27, 31, 32, 33)]\"\n\"[ 2.18980069e+00 -2.93722144e+00 -1.63496564e+00 5.12010694e+00\n 1.38070870e+02 3.57483699e+02 4.71501480e-01 7.32859737e-01\n -2.06027292e+00 -1.05726845e+00 -1.67166889e+00 9.49467908e-01\n -3.09977192e-01 -3.06801906e+00 2.30047883e+00 -9.14290635e-01\n -9.63737542e-02 9.19384329e-01 1.12102173e+00]\",[-62.45466712],76792,500,Maximum number of iterations has been exceeded.,False,458,4.883836530643665,5mo8,119.26090783223584,5.789999961853027,34,13,\"[(4, 3, 2, 1), (10, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 21, 22), (19, 21, 22, 23), (25, 24, 22, 21), (26, 25, 24, 22), (28, 30, 31, 32)]\"\n\"[ 1.11188257 -2.31952841 1.13885078 1.55655536 -10.92666291\n -14.37699934 0.63802676 -0.78148222 1.77357423 2.31332692\n 0.85771013 -1.28197516 0.43652707 0.56273278]\",[-74.97020142],78489,500,Maximum number of iterations has been exceeded.,False,330,2.56105557669774,4o74,76.21297685243849,7.599999904632568,38,8,\"[(9, 6, 1, 3), (1, 3, 33, 7), (28, 27, 5, 11), (13, 17, 12, 16), (10, 22, 12, 16), (18, 13, 17, 12), (5, 23, 24, 25), (0, 28, 27, 5)]\"\n\"[ -0.49703986 0.86399268 1.44573067 22.17866564 13.99085301\n -11.95360081 2.43411965 0.99756106 -0.44083483 2.78481698\n 1.08250562 -0.4531819 ]\",[-64.66471638],56238,352,Optimization terminated successfully.,True,229,3.8586796209492116,4dhr,65.00197777523272,4.570000171661377,22,6,\"[(5, 4, 1, 0), (4, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (15, 14, 12, 11), (16, 15, 14, 12)]\"\n\"[ 2.13205005 -0.86916075 -0.18553935 25.67056421 -63.16874265\n 17.2697924 0.39024958 2.66974844 -2.10913519 2.02774762\n 2.61403615 -2.60334148 -0.06947051 2.55425742]\",[-159.06172822],13174,75,Optimization terminated successfully.,True,325,1.138916318433964,4mwy,143.67507091759254,7.050000190734863,24,8,\"[(1, 0, 6, 7), (1, 2, 16, 17), (2, 3, 23, 20), (3, 4, 9, 10), (4, 9, 10, 11), (4, 9, 13, 14), (9, 10, 11, 12), (3, 23, 20, 21)]\"\n\"[-0.28724927 1.26680036 2.19397268 23.81130652 20.76916688 3.27697136\n -1.19829522 0.62660442 -0.30700621 -2.6684646 -0.64479563 -0.43690768\n -2.79451897 -2.00246647 0.44500639 -1.31276059 0.11128606 1.22708235\n 1.33850794 -0.48628801 -0.40735225 -2.31437579 -1.31822233 1.07696607\n 2.85898885 -1.86963388 -1.25832095 0.57096672 1.42667543 1.07284091\n -0.22332872 0.5751255 -0.68742243 -1.35945041 -1.65223154 -3.12264124\n 2.71216705 -1.60508086 1.39249089 1.50549347 -2.78437011 -0.31736254\n 2.62121605 2.91372414 0.61320407 2.14109997 -0.41315645 2.0979599\n -2.65814967]\",[-68.05390756],100646,500,Maximum number of iterations has been exceeded.,False,1060,3.8715735073803974,5dxe,37.65049065960997,6.409999847412109,101,43,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (8, 7, 4, 3), (4, 5, 13, 14), (9, 8, 7, 4), (5, 13, 14, 15), (13, 14, 15, 16), (13, 14, 17, 18), (25, 23, 15, 14), (14, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (22, 25, 23, 15), (31, 32, 35, 36), (32, 35, 36, 37), (44, 43, 40, 39), (45, 44, 43, 40), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (54, 55, 56, 57), (61, 63, 60, 62), (62, 60, 69, 70), (60, 69, 70, 71), (69, 70, 71, 72), (69, 70, 73, 74), (70, 71, 77, 78), (70, 73, 74, 75), (71, 77, 78, 79), (77, 78, 79, 80), (77, 78, 81, 82), (78, 79, 86, 87), (78, 81, 82, 83), (81, 82, 83, 84), (79, 86, 87, 88), (86, 87, 88, 89), (86, 87, 90, 91), (87, 88, 94, 95), (87, 90, 91, 92), (88, 94, 95, 96), (94, 95, 96, 97), (94, 95, 98, 99)]\"\n\"[ -2.32914892 -0.16589106 -3.0633122 19.45825267 -28.00280663\n 20.68831579 -2.35879536 0.08980112 -0.80235502 -0.5520472\n 1.40028783 1.66749885 2.06648355]\",[-138.90628469],18632,110,Optimization terminated successfully.,True,299,1.7420249276425825,6hm2,103.63613255156321,7.329999923706055,20,7,\"[(3, 4, 5, 6), (1, 7, 8, 9), (7, 8, 9, 10), (8, 9, 11, 12), (9, 11, 13, 14), (11, 13, 15, 16), (13, 15, 17, 18)]\"\n\"[ -1.66597969 -1.86720851 0.94971047 -1.82176107 -24.82291543\n -12.87727839 -2.04167752 -0.20535153 -0.09850978 -0.1737211 ]\",[-49.63762754],21954,137,Optimization terminated successfully.,True,285,1.5104824668714143,5fdd,17.058872979953406,4.199999809265137,20,4,\"[(3, 2, 1, 0), (4, 6, 7, 8), (13, 12, 11, 3), (14, 13, 12, 11)]\"\n[ 0.59419685 0.51790795 -2.28291111 27.53881789 4.88015815 64.50876191],[-72.99731536],8522,49,Optimization terminated successfully.,True,156,0.00017093930437017883,1wcc,60.5057790287987,3.4600000381469727,8,0,[]\n\"[ 1.8060316 -0.04361177 -1.5141073 20.43092435 -5.12301759 4.0557215\n 1.4247699 -1.66940811 1.20561817 1.09273413 -2.09707233]\",[-142.56763818],49942,318,Optimization terminated successfully.,True,461,2.699513778068013,3ldq,124.43951802057404,5.360000133514404,31,5,\"[(10, 9, 4, 5), (4, 5, 15, 16), (10, 11, 27, 28), (17, 16, 15, 5), (18, 17, 16, 15)]\"\n\"[-3.85266843e-01 2.25781318e+00 -1.68677820e+00 1.21027700e+01\n 2.42730145e+01 1.73338679e+01 4.77241516e-01 -1.70408608e+00\n 1.64362508e-03 3.10473962e+00 1.39475791e+00 3.08260545e+00\n 2.47154491e+00 -2.75218572e+00 -1.59318620e+00 1.21699110e+00\n -1.79163321e+00 1.82061432e+00 -1.95138606e+00]\",[-92.49217854],77612,500,Maximum number of iterations has been exceeded.,False,482,2.0550309371908733,4u8w,212.3576516230733,11.239999771118164,40,13,\"[(3, 4, 7, 8), (4, 7, 10, 11), (7, 10, 11, 12), (7, 10, 15, 16), (10, 11, 12, 13), (10, 15, 16, 17), (15, 16, 18, 19), (16, 18, 19, 20), (37, 31, 18, 16), (18, 19, 20, 21), (23, 22, 20, 19), (24, 23, 22, 20), (32, 37, 31, 18)]\"\n\"[ 1.83872181 2.51004459 -2.88079874 45.44666088 59.48097262 8.79261937\n 1.03500953 1.74584626 0.64504308 -0.12314609 -0.24060658 -1.23614543\n 2.82061489 -1.52326482 0.76580177 -0.36442988 1.72004697 -0.12205794\n 2.23601939 2.27886154 -0.0626476 0.31165647 -0.32007171 -0.65359048\n 2.32343874 0.30971747 1.05517015 -1.93064504 1.40638739 -0.94493605\n -2.89818818 2.2289344 1.49765846 -0.86371043 1.59319369 1.74466099\n -1.25345275 0.59425254 0.75745294 0.61163885 -0.42376205 -1.22764241\n -0.54239305 -1.44182148 -0.88598174 0.77346898]\",-102.01517115512601,93171,500,Maximum number of iterations has been exceeded.,False,1104,6.277961513085291,1leg,182.61817599733655,7.949999809265137,76,40,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 18, 19), (10, 13, 14, 15), (13, 14, 15, 16), (11, 18, 19, 20), (18, 19, 20, 21), (23, 22, 19, 18), (19, 20, 30, 31), (24, 23, 22, 19), (20, 30, 31, 32), (30, 31, 32, 33), (30, 31, 34, 35), (31, 32, 39, 40), (31, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (32, 39, 40, 41), (39, 40, 41, 42), (44, 43, 40, 39), (40, 41, 50, 51), (45, 44, 43, 40), (41, 50, 51, 52), (50, 51, 52, 53), (55, 54, 51, 50), (51, 52, 62, 63), (56, 55, 54, 51), (52, 62, 63, 64), (62, 63, 64, 65), (62, 63, 66, 67), (63, 64, 68, 69), (64, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73)]\"\n\"[ -1.97210746 -2.19748411 0.96957312 -14.31350914 15.63350705\n -9.3607899 -1.39117474 -2.89645671 -3.08175408 1.86611475\n 1.01528273 1.23423599 2.08246495]\",[-168.86384617],45338,282,Optimization terminated successfully.,True,583,2.17706043747862,5ct7,219.55250161739994,7.150000095367432,37,7,\"[(18, 19, 3, 21), (4, 21, 3, 19), (4, 25, 5, 29), (8, 28, 6, 26), (6, 28, 8, 9), (10, 11, 16, 31), (14, 15, 17, 34)]\"\n\"[ -0.01985154 1.80827614 2.35810445 -19.2184793 -5.43289689\n 1.57140554 0.35528337 -0.77662483]\",[-96.54297193],13693,85,Optimization terminated successfully.,True,321,1.430105490431822,5fv7,54.82136020766481,6.739999771118164,23,2,\"[(11, 10, 8, 7), (12, 11, 10, 8)]\"\n\"[ -2.13724985 -0.57964604 -0.14492531 36.74584053 -11.60215704\n 2.92939676 2.1561125 2.73714924 -1.50704563 1.72853529\n -0.206688 0.65296767 -1.30728694 -1.08493682 0.0481589\n -1.36045116 -0.49516488 0.43985186 -2.20623012 -0.877233\n -1.62569322 2.22088286 -1.29302465 0.64126246 -2.57988274\n 2.72734642 -2.29534422 0.23989096 -2.07601905 -2.59403333\n -0.60015942 2.60249667 2.71477141 -1.01067478 -0.08596112\n -1.47390445 -1.68403789]\",[-90.43333454],96789,500,Maximum number of iterations has been exceeded.,False,888,6.533366335579353,2er9,145.86042478239838,7.400000095367432,65,31,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 11), (12, 11, 8, 7), (7, 8, 9, 10), (18, 17, 9, 8), (13, 12, 11, 8), (21, 18, 19, 20), (18, 19, 24, 25), (19, 24, 25, 28), (29, 28, 25, 24), (24, 25, 26, 27), (25, 26, 35, 36), (30, 29, 28, 25), (26, 35, 36, 39), (40, 39, 36, 35), (35, 36, 37, 38), (36, 37, 45, 46), (41, 40, 39, 36), (37, 45, 46, 47), (45, 46, 47, 48), (45, 46, 51, 52), (46, 47, 48, 49), (46, 51, 53, 54), (51, 53, 54, 55), (53, 54, 56, 57), (54, 56, 57, 60), (56, 57, 60, 61), (56, 57, 58, 59), (57, 60, 61, 62)]\"\n\"[ 0.86664203 2.57099768 -1.74595687 13.43099928 7.61604798\n -24.29027431 -0.83001491 2.10225952 -0.89744689 1.46844008\n -2.30634085 -3.11875161 -1.36153422]\",[-92.93591373],33168,203,Optimization terminated successfully.,True,371,0.5816836124470408,4a50,71.87182619282436,7.909999847412109,27,7,\"[(8, 7, 6, 2), (9, 8, 7, 6), (6, 7, 14, 15), (22, 21, 7, 6), (7, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18)]\"\n\"[ 0.24031034 1.5036805 -0.07652434 -1.50155376 49.62387084\n -10.566034 0.94851083 -1.88530645 3.10365419 -2.19165255\n 1.64294836 0.20880171]\",[-101.76388697],43979,274,Optimization terminated successfully.,True,448,2.0479935243578677,4mro,100.57325871858143,7.059999942779541,32,6,\"[(0, 6, 7, 8), (11, 10, 7, 6), (17, 16, 15, 12), (18, 21, 22, 23), (21, 22, 23, 24), (21, 22, 27, 28)]\"\n\"[-1.20470374e+00 2.20003431e+00 -1.50744942e+00 9.28564128e+01\n 7.58402480e+01 -1.12910128e+01 2.20212588e+00 -2.07884102e+00\n -5.00904133e-01 1.31424348e+00 -2.35530095e+00 2.14646084e+00\n -8.82896509e-01 -2.96746150e+00 -1.94421381e+00 -6.52053213e-01\n 2.84282431e-01 2.72869123e+00 -2.87402938e+00 1.96199639e+00\n 6.42768915e-02 -1.83971958e+00 -2.47634077e+00 1.72210800e+00\n -1.21423661e+00]\",[-80.3295269],79024,500,Maximum number of iterations has been exceeded.,False,666,3.7480245724685637,3che,92.74841726299246,5.289999961853027,39,19,\"[(0, 1, 2, 3), (1, 2, 4, 5), (5, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (10, 11, 16, 17), (11, 12, 13, 14), (11, 16, 18, 19), (16, 18, 20, 21), (18, 20, 21, 22), (33, 32, 20, 18), (20, 21, 23, 24), (21, 23, 24, 25), (23, 24, 25, 26), (23, 24, 28, 29), (24, 28, 29, 30), (34, 33, 32, 20)]\"\n\"[ 7.73055646e-01 -8.72559106e-02 -3.82309746e-01 3.95135046e+01\n 1.27120698e+01 2.40885714e+02 1.23374945e+00 -2.96994597e+00]\",[-84.25090422],17270,108,Optimization terminated successfully.,True,321,1.3806874572448562,6cms,81.78989909861436,5.820000171661377,23,2,\"[(6, 17, 0, 12), (5, 18, 13, 1)]\"\n\"[ 2.72712606 -0.13458845 -1.65069955 -4.73434516 6.9271092 15.30805887\n 2.77567739 -0.13811285 -1.29350582 1.88799609]\",[-99.90403547],20094,129,Optimization terminated successfully.,True,376,1.3948227898904237,3bet,89.21046118328736,5.820000171661377,28,4,\"[(3, 0, 8, 6), (0, 3, 11, 12), (0, 8, 6, 1), (19, 22, 25, 26)]\"\n\"[-0.23274377 1.30785508 1.27425157 14.74506399 22.64140304 17.77109544\n -1.19581175 -1.24286721 1.4288282 0.32517396 2.55316836 1.82564643\n -0.5188465 -1.35037849 -1.58690563 2.59382968 -2.4706779 1.49660961\n 0.38404429]\",[-108.50187955],77592,500,Maximum number of iterations has been exceeded.,False,515,4.19112177083041,2qd6,268.7927441995638,8.680000305175781,40,13,\"[(5, 6, 9, 10), (6, 9, 12, 13), (9, 12, 13, 14), (9, 12, 17, 18), (12, 13, 14, 15), (12, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22), (39, 33, 20, 18), (20, 21, 22, 23), (25, 24, 22, 21), (26, 25, 24, 22), (34, 39, 33, 20)]\"\n\"[-2.53568603 -2.3768909 0.13741514 19.97513854 49.83420209 16.45340931\n -0.13490052]\",[-75.877763],9180,53,Optimization terminated successfully.,True,366,0.5902904261362413,2aa6,70.81260718896456,9.40999984741211,23,1,\"[(13, 17, 20, 21)]\"\n\"[ 2.42334654 0.61454225 0.89518725 -13.24981485 -1.97587196\n -2.29312277 -0.61687151 -0.86344889 0.65927448 2.23316407]\",[-91.3342657],22622,146,Optimization terminated successfully.,True,324,0.8744146302976781,5cqj,45.50159260494796,4.809999942779541,23,4,\"[(2, 1, 22, 0), (3, 4, 7, 8), (17, 16, 7, 4), (10, 9, 8, 7)]\"\n\"[ 1.80210102 1.69974215 2.18413608 -37.0754068 21.82458667\n -7.25187802 -0.6151006 -2.36226561 2.35682425 2.67643972\n -0.25657883]\",[-89.89078936],44834,286,Optimization terminated successfully.,True,260,1.6591230578640426,4l4z,70.4040163059776,5.679999828338623,14,5,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 8, 9), (6, 8, 11, 12)]\"\n\"[ 1.27567344 2.04284511 -0.53823032 14.2860131 -11.8230572\n 21.1158837 2.15802294 -0.65072648 1.61460783]\",-54.43944430683434,23313,150,Optimization terminated successfully.,True,256,1.3267984189886615,1no9,32.30064339251152,7.619999885559082,15,3,\"[(3, 2, 0, 1), (4, 3, 2, 0), (10, 9, 2, 0)]\"\n\"[ 2.85631446 -2.56140564 0.72844815 16.47505404 2.23982539 15.37877218\n -1.83020521]\",-85.82140932652605,8946,56,Optimization terminated successfully.,True,160,0.8864689547506882,4q8x,51.0422013450332,3.569999933242798,12,1,\"[(3, 4, 5, 6)]\"\n\"[ 3.12451462e+00 1.53503976e-02 -2.83199564e+00 -8.25945371e+01\n -1.65356874e+01 -1.24882781e+01 -2.11858846e+00 -1.94163123e+00\n -3.05670181e+00 -1.59785660e+00 2.10368915e+00 -3.02097954e+00\n 2.29175928e-01 6.20358056e-01 8.60284038e-01]\",[-69.58101289],62258,410,Optimization terminated successfully.,True,604,2.4597817120663312,5ek0,47.527295142853475,7.679999828338623,39,9,\"[(8, 1, 35, 36), (4, 12, 2, 0), (8, 7, 4, 5), (0, 9, 11, 10), (18, 17, 16, 7), (19, 18, 17, 16), (20, 21, 26, 27), (30, 29, 26, 21), (31, 30, 29, 26)]\"\n\"[-1.71679085e-02 -4.12453201e-01 -4.13130807e-01 3.78865219e+01\n 6.78526533e+00 3.44771653e+01 -9.19617709e-01 2.13371102e+00\n 7.01756150e-01 4.91166079e-01]\",[-74.07557984],18298,116,Optimization terminated successfully.,True,360,1.8341412633598013,1q4l,32.953290596521654,7.400000095367432,25,4,\"[(8, 7, 5, 0), (15, 14, 8, 7), (16, 15, 14, 8), (18, 19, 22, 23)]\"\n\"[ 0.26439881 -0.93386272 1.96388873 9.14766384 20.16577149 89.42109021\n -2.52557314 2.37358646 2.38723669 0.35769543 -0.60022349 2.75345191\n -0.36886949 -1.53268953 -0.78392008 -0.28600645 -0.367309 -0.65035223\n 3.06052529 0.52061681 -0.99299247 -0.22813825 1.14168369 -0.40533898\n -0.82374527 -0.49588129 -2.53200549 -1.65304298 -1.81973763 0.74890271\n -1.85700686 0.22890808 1.5470159 1.17694486 -1.43841997 -1.41783269\n 2.27589761 -0.59753432 0.3321899 -0.82547781 -0.19845297 -0.09682305\n -0.84176199]\",[-46.62031166],88636,500,Maximum number of iterations has been exceeded.,False,1011,5.79207106146918,5gtr,27.768635550951732,7.170000076293945,80,37,\"[(0, 1, 2, 3), (0, 1, 4, 5), (12, 11, 2, 1), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (13, 12, 11, 2), (18, 19, 22, 23), (19, 22, 23, 25), (27, 28, 30, 31), (28, 30, 31, 32), (35, 36, 37, 38), (36, 37, 41, 42), (37, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 55, 54), (42, 45, 46, 47), (45, 46, 47, 48), (46, 47, 48, 49), (47, 48, 49, 50), (52, 53, 54, 55), (52, 53, 64, 63), (53, 54, 55, 43), (53, 54, 56, 57), (54, 56, 57, 58), (61, 62, 63, 64), (61, 62, 70, 71), (62, 63, 64, 53), (62, 63, 65, 66), (63, 65, 66, 67), (62, 70, 71, 72), (70, 71, 72, 73), (70, 71, 74, 75), (71, 74, 75, 76), (74, 75, 76, 77)]\"\n\"[ 0.92581596 0.0337419 1.61565855 -22.45291622 19.82322929\n 8.4615987 -0.37597114 -2.33918212 2.13145491 0.46971378\n -2.33825885 3.05133817]\",[-77.2795099],61217,385,Optimization terminated successfully.,True,282,0.9477253643157173,6bh3,52.83591268226303,4.920000076293945,21,6,\"[(2, 1, 0, 17), (7, 17, 0, 1), (2, 3, 4, 5), (8, 9, 18, 10), (12, 11, 10, 18), (9, 18, 10, 11)]\"\n\"[ 1.14349436 2.15918739 -1.10849896 23.49270165 3.19749713 7.68221013\n -2.48129565 -0.89684876 -0.15228307 0.52188032 -0.48518529 0.95728038\n -1.71405624 -1.6389391 -2.37847617]\",[-173.84393951],72674,474,Optimization terminated successfully.,True,397,6.402421938081512,3ud5,126.75580956356131,3.819999933242798,41,9,\"[(2, 0, 22, 3), (2, 10, 1, 13), (0, 22, 3, 24), (26, 24, 3, 22), (28, 16, 31, 39), (16, 31, 39, 40), (25, 35, 32, 40), (35, 32, 40, 39), (31, 39, 40, 32)]\"\n\"[ -3.02601061 1.41528246 -0.75486596 -7.3624148 2.35224239\n -19.28959019 -2.22542408 0.48289287 0.11614018 -1.86799231]\",[-119.74002511],21876,140,Optimization terminated successfully.,True,295,1.8915718788343514,5myg,57.77251055693313,7.510000228881836,27,4,\"[(5, 8, 16, 17), (1, 9, 14, 15), (20, 19, 16, 8), (21, 20, 19, 16)]\"\n\"[-1.12892547 2.17768045 0.70521864 6.24369593 21.79273685 49.69804946\n 3.04669318 0.31016508 2.60920859 -2.94303297 -1.5466213 0.86312063\n -1.7003346 2.60146795]\",-114.93829935222884,31423,201,Optimization terminated successfully.,True,419,1.192622501584729,1qj1,101.1307674054241,8.050000190734863,27,8,\"[(25, 0, 1, 2), (9, 25, 0, 1), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (11, 9, 25, 0), (19, 18, 15, 14), (0, 25, 26, 7)]\"\n\"[ 1.68287552 -0.07682104 -1.68310864 23.35705961 18.63713035 18.43474552\n 0.06576553]\",-56.72848313437832,9716,61,Optimization terminated successfully.,True,140,1.2182525661560195,3ipa,44.069023003914275,6.21999979019165,6,1,\"[(0, 1, 2, 3)]\"\n\"[-2.63880588 -0.6605883 -0.65612274 15.93797901 5.12604184 8.19726386\n -0.50428772 -2.86596882 -0.2887899 1.61328365 0.59845537 -1.46106122\n -1.39143789 0.1809206 0.06308803]\",[-122.78154161],42524,273,Optimization terminated successfully.,True,434,2.266198242630864,4kot,117.93734119096241,5.460000038146973,30,9,\"[(0, 1, 9, 10), (3, 4, 22, 23), (4, 5, 27, 28), (1, 9, 10, 11), (9, 10, 12, 13), (17, 16, 12, 10), (12, 13, 14, 15), (4, 22, 23, 24), (22, 23, 24, 25)]\"\n\"[ 2.6701521 -0.49014239 1.23387418 -1.79072749 10.89271799\n -21.05288666 -0.65923835 1.79187237 1.51697735 -0.47107397\n -1.69744356 -1.10602016]\",[-147.51184398],41314,258,Optimization terminated successfully.,True,312,2.93111870034442,2ywp,126.4573735495969,8.149999618530273,23,6,\"[(2, 3, 8, 9), (3, 8, 9, 10), (12, 11, 9, 8), (13, 12, 11, 9), (14, 15, 20, 21), (12, 17, 18, 19)]\"\n\"[ 1.39593962 -2.14983276 -2.63298172 -16.37699406 17.19789128\n -14.66765653 -1.9584125 0.43523614 -0.52815254 3.05854516\n 1.12103912]\",[-133.7423011],36866,232,Optimization terminated successfully.,True,285,1.7328489645178384,2wd3,119.52024203295764,7.070000171661377,26,5,\"[(21, 3, 0, 1), (20, 21, 3, 0), (11, 24, 7, 6), (7, 24, 11, 12), (19, 25, 15, 14)]\"\n\"[ 0.65878471 0.39818491 -2.26938214 15.05926441 21.28214883 25.82157442\n 2.83405391 -1.62642076 -2.30757581 0.14531615 -0.50523373 -1.26719677\n -2.22666114 0.67580599 -0.17803043 1.99763925 2.33641155 1.87098597\n 1.34363226 -0.60875589]\",[-75.80449024],81756,500,Maximum number of iterations has been exceeded.,False,353,3.417532649216428,3st5,201.41386318733925,11.300000190734863,40,14,\"[(3, 2, 0, 1), (1, 0, 21, 20), (4, 3, 2, 0), (17, 12, 13, 14), (13, 12, 17, 18), (13, 12, 29, 30), (12, 13, 14, 15), (12, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 0), (28, 22, 20, 18), (23, 28, 22, 20), (33, 32, 29, 12), (35, 37, 38, 39)]\"\n\"[-1.13924612e-01 1.37273204e+00 -4.96996724e-02 2.76892571e+01\n 4.25623779e+01 1.04153167e+02 -1.76402550e+00 4.19921151e-01\n 5.04523810e-01 -1.32453403e+00 3.05199115e+00]\",[-88.30759377],32386,204,Optimization terminated successfully.,True,534,1.1894160450213915,3gnv,72.12157910063698,7.03000020980835,37,5,\"[(2, 3, 4, 5), (6, 5, 4, 3), (7, 6, 5, 4), (16, 15, 14, 1), (15, 16, 17, 18)]\"\n\"[-2.55281614e+00 -1.58093127e+00 -5.46844487e-01 -4.96369756e+01\n 6.94477281e+01 -1.80315555e+01 -7.60989239e-01 1.94212819e+00\n 2.42169025e+00 -6.79663786e-01 4.99879425e-01 -3.88679357e-01\n 3.46713853e-01 -5.31848997e-02 -2.23398690e-01 3.72596229e-01\n -6.26679645e-01 4.89895410e-01 -5.67133722e-01 9.05345372e-01]\",-65.41538589815029,79161,491,Optimization terminated successfully.,True,345,3.5203596127029324,1adl,51.497099419360836,5.360000133514404,22,14,\"[(21, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (4, 5, 6, 7), (5, 6, 7, 8), (7, 8, 9, 10), (8, 9, 10, 11), (10, 11, 12, 13), (11, 12, 13, 14), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19)]\"\n\"[ 2.39971568e+00 -6.53166153e-02 -2.14144594e+00 -6.61556754e+01\n 2.01068408e+02 1.48464340e+02 -1.74218697e+00 3.09703411e+00\n -2.81845760e+00]\",[-82.76608787],27658,175,Optimization terminated successfully.,True,343,2.2660570996321585,6gin,79.00550410030615,7.489999771118164,33,3,\"[(0, 27, 4, 5), (10, 28, 7, 6), (19, 18, 14, 13)]\"\n\"[-0.74100469 3.03889764 1.38409136 54.27824678 -8.23216455 7.12820199\n -2.26018961 -3.13761091 0.23314522 1.16607599 2.57240273]\",[-89.05924041],25372,159,Optimization terminated successfully.,True,432,1.0435348451528517,2flr,90.21362973094031,6.099999904632568,27,5,\"[(10, 9, 8, 6), (22, 21, 13, 12), (25, 16, 17, 18), (24, 25, 16, 17), (16, 17, 18, 19)]\"\n\"[-0.78759087 2.23648322 0.48156644 32.71533527 33.69220561 10.98494859\n -1.9119896 -0.54192464 -1.80963043 0.06571125 2.94082415 2.57253893\n -1.78544858 0.88350586 2.05524284 -0.4369419 ]\",[-162.99373445],81707,500,Maximum number of iterations has been exceeded.,False,540,1.5086757547802456,2irz,196.35178109769797,7.920000076293945,39,10,\"[(0, 1, 6, 7), (1, 6, 7, 8), (9, 8, 7, 6), (10, 9, 8, 7), (35, 36, 11, 10), (12, 13, 15, 16), (13, 15, 16, 17), (31, 27, 24, 25), (34, 38, 24, 25), (30, 31, 27, 24)]\"\n\"[ 1.80781625e-02 -9.30701177e-01 3.81820931e-01 8.98879973e+00\n 7.33958604e+00 4.94355130e+01 -1.50986413e+00 -9.90441461e-01\n 6.41753166e-01 3.57621201e-01 -5.35169927e-01 2.19097333e+00\n 1.60301049e+00 -3.13816332e+00]\",[-112.33481291],29093,181,Optimization terminated successfully.,True,399,3.2709879872392382,4uat,76.27300936452865,5.889999866485596,18,8,\"[(5, 0, 1, 2), (1, 0, 5, 10), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 9), (3, 4, 9, 11), (0, 5, 10, 12), (4, 9, 11, 15)]\"\n\"[-0.87015656 -1.81228597 -1.12357544 25.84630789 21.03836982 13.79770823\n 1.24940753 0.30129963 -1.87035487 -0.10103622 -0.20621372 -0.67802351\n 0.63437347 -1.03096245 -0.34436886 0.54832679 2.89933165 1.3005624 ]\",[-73.63541437],82150,500,Maximum number of iterations has been exceeded.,False,583,3.690776440720258,2xui,118.49815839357396,15.0,50,12,\"[(6, 7, 22, 23), (10, 9, 8, 7), (7, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (28, 27, 26, 25), (29, 28, 27, 26), (28, 29, 33, 34), (29, 33, 34, 35), (36, 35, 34, 33), (37, 36, 35, 34)]\"\n\"[-2.06565335e+00 -1.28748463e+00 -1.38244206e+00 -2.45140767e+01\n 3.82441233e+01 -2.78016531e+01 -3.52615685e-01 -1.22160933e+00\n -1.38514843e+00 -1.01864103e+00 1.65415455e+00 1.04909156e-02\n 6.88506044e-02 -3.06810718e-01 -2.64568847e-02 1.22991180e-01\n -3.70952641e-01 -2.74354798e+00 1.13930496e+00 1.63534399e+00\n 1.20735012e+00 1.09710648e+00 5.01494709e-02 2.26392744e+00\n 2.07523586e+00 1.16383054e-01 -2.55045620e+00 2.62535609e+00\n 5.19241443e-02 -2.20511896e+00 -1.97966866e+00 5.35995920e-01\n -2.56824380e+00 1.29049030e+00]\",[-81.56413246],87165,500,Maximum number of iterations has been exceeded.,False,1222,2.5705018589969937,6azk,104.07304500858136,5.639999866485596,101,28,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7), (14, 13, 10, 9), (15, 14, 13, 10), (20, 21, 24, 25), (21, 24, 25, 26), (28, 29, 32, 33), (29, 32, 33, 34), (36, 37, 40, 41), (42, 43, 46, 47), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (54, 55, 56, 57), (57, 59, 61, 60), (62, 60, 61, 59), (61, 60, 62, 63), (64, 65, 68, 69), (65, 68, 69, 70), (68, 69, 70, 71), (69, 70, 71, 72), (75, 76, 79, 80), (76, 79, 80, 81), (83, 84, 87, 88), (84, 87, 88, 89), (87, 88, 89, 90), (88, 89, 90, 91)]\"\n\"[ 2.76670668 -0.72283383 -1.30615156 90.52159405 46.11800354 14.58236577\n -1.61012991 -0.286351 2.73016592 1.25879794 -0.09806534]\",-275.0728622325365,35980,231,Optimization terminated successfully.,True,486,0.8330670973044908,2ofv,248.5054385453787,9.699999809265137,31,5,\"[(12, 11, 7, 6), (12, 13, 18, 19), (21, 20, 18, 13), (22, 21, 20, 18), (22, 23, 27, 28)]\"\n\"[ 2.51010887e+00 6.88740249e-01 2.14951206e+00 3.27460730e+01\n 6.77742395e+01 2.80810943e+01 1.53302851e+00 -3.03551105e+00\n -1.54023237e+00 -4.30495770e-01 2.41931064e+00 -6.57022559e-01\n -3.49775937e-01 -1.53095594e+00 2.62168125e+00 -2.47834736e+00\n 1.18037537e+00 -2.21615328e+00 -2.90475876e-01 -2.82374807e+00\n -8.86645356e-01 1.26213689e+00 1.17155015e-01 8.04843227e-01\n -7.73353798e-01 -3.08526029e+00 -3.06648858e+00 5.04239184e-02\n -2.79743830e+00 5.84627993e-01 1.29049411e+00 -1.83030300e-01\n 1.44212989e+00 -1.44465545e-02 2.52496132e+00 1.36541585e+00\n 1.10075437e-01 -1.18302896e+00 -1.95293629e+00 -1.00852966e+00\n -9.75134266e-01 -1.34878421e+00 1.00626260e+00 1.32981125e-01\n 2.03610956e+00 2.75262504e+00 7.54784205e-02 -1.45054076e+00\n 2.92115490e-01 -2.74677219e-01 1.83899790e+00 -1.06595354e+00\n 1.95216155e+00]\",[-83.73599511],81549,500,Maximum number of iterations has been exceeded.,False,1280,6.660763837799834,2ovq,85.69386561118291,7.150000095367432,90,47,\"[(0, 1, 2, 3), (0, 1, 4, 5), (9, 8, 2, 1), (1, 4, 5, 6), (8, 9, 10, 11), (9, 10, 15, 16), (10, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (16, 17, 21, 22), (17, 21, 22, 23), (21, 22, 23, 24), (22, 23, 25, 26), (23, 25, 26, 27), (25, 26, 27, 28), (25, 26, 29, 30), (26, 27, 33, 34), (26, 29, 30, 31), (27, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 41, 42), (34, 37, 38, 39), (35, 41, 42, 43), (41, 42, 43, 44), (41, 42, 50, 51), (42, 43, 45, 46), (43, 45, 46, 47), (53, 52, 50, 42), (52, 53, 54, 55), (60, 59, 54, 53), (59, 60, 61, 62), (60, 61, 66, 67), (61, 66, 67, 68), (66, 67, 68, 69), (66, 67, 70, 71), (67, 68, 75, 76), (67, 70, 71, 72), (70, 71, 72, 73), (68, 75, 76, 77), (75, 76, 77, 78), (75, 76, 79, 80), (76, 77, 78, 81), (77, 78, 81, 82), (76, 79, 85, 86), (79, 85, 86, 87), (85, 86, 87, 88)]\"\n\"[ -2.23300095 0.55661858 0.59317748 -18.01388982 0.06672664\n 23.18106838 -0.19816175 2.90877253 -1.7017287 -1.13918231\n -0.21339946 1.56404138 2.66278172 0.57290439]\",[-105.3084444],36196,228,Optimization terminated successfully.,True,451,3.4462848591756345,5yqw,69.65504924479191,7.510000228881836,29,8,\"[(18, 9, 0, 1), (0, 1, 8, 6), (3, 4, 5, 13), (1, 8, 6, 7), (17, 18, 9, 0), (15, 16, 23, 21), (18, 19, 20, 27), (16, 23, 21, 22)]\"\n\"[ 0.87256605 -0.30697272 -3.04615439 -9.35619169 -35.71899866\n 22.51569214 -3.14065655 0.21473243 -0.47728809 -1.1347322\n -0.51720806 2.14257951 -2.59327578 -2.69285782]\",[-99.09353588],55224,350,Optimization terminated successfully.,True,379,1.9456288612918289,6cve,84.48905352872924,6.800000190734863,29,8,\"[(9, 8, 0, 1), (11, 12, 15, 16), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 20, 21), (17, 20, 21, 22), (20, 21, 24, 25), (21, 24, 25, 26)]\"\n\"[ 0.65848825 2.90194488 1.84465696 -43.18861928 12.43192309\n 12.62183222 1.19296026 1.65996408 2.80870741 2.27759515\n -1.00327252 1.3289113 1.27829295 0.92134383 0.09715648\n 1.72446486 0.92555258]\",[-89.9445383],77679,500,Maximum number of iterations has been exceeded.,False,488,4.159721246848432,3v4t,71.38696088135457,4.110000133514404,39,11,\"[(1, 0, 9, 36), (0, 1, 8, 6), (3, 4, 5, 13), (1, 8, 6, 7), (0, 9, 36, 35), (24, 23, 15, 16), (26, 27, 30, 31), (27, 30, 31, 32), (30, 31, 32, 33), (31, 32, 35, 36), (32, 35, 36, 9)]\"\n\"[-2.17358944e+00 -4.12379925e-01 8.02134098e-01 4.06500362e+00\n 3.53574485e+01 1.41241875e+01 -2.66283547e+00 6.36090979e-01\n 2.02994286e+00 3.09811421e+00 -1.00661830e+00 3.01141726e+00\n 1.48302572e+00 1.69512142e+00 -2.51607330e+00 1.30336488e+00\n -2.50575379e+00 -2.32922914e+00 -2.11120534e-01 2.55428924e-02\n -1.09402093e+00 1.22955850e+00 -7.02848160e-01 -1.37337888e+00\n 9.50361623e-01 4.91424355e-01 -1.57443374e+00 1.29704054e+00\n -5.43961670e-01 -1.18268599e+00 2.03697048e+00 1.13281406e+00\n -1.97669656e+00 -2.01061585e+00 -2.18149949e+00 2.22945370e+00\n -8.88347423e-01 2.28193196e+00 -2.24444602e+00 -2.88148212e+00]\",[-89.57577352],83727,500,Maximum number of iterations has been exceeded.,False,897,6.079979162311715,5er2,133.35105301407688,6.570000171661377,68,34,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 11), (12, 11, 8, 7), (7, 8, 9, 10), (8, 9, 18, 19), (13, 12, 11, 8), (9, 18, 19, 22), (23, 22, 19, 18), (18, 19, 20, 21), (19, 20, 28, 29), (24, 23, 22, 19), (20, 28, 29, 30), (31, 30, 29, 28), (28, 29, 37, 38), (32, 31, 30, 29), (29, 37, 39, 40), (37, 39, 40, 41), (39, 40, 41, 42), (39, 40, 45, 46), (40, 41, 42, 43), (40, 45, 47, 48), (45, 47, 48, 51), (47, 48, 51, 52), (47, 48, 49, 50), (48, 49, 56, 57), (48, 51, 52, 53), (51, 52, 53, 54), (52, 53, 54, 55), (49, 56, 57, 60), (61, 60, 57, 56), (56, 57, 58, 59), (62, 61, 60, 57)]\"\n\"[ 2.03543731 -0.96793113 0.58094226 -37.34478942 34.20686354\n 7.16921163]\",[-155.1785971],6989,42,Optimization terminated successfully.,True,222,3.52558660710952e-06,4bda,27.075445742141216,5.570000171661377,12,0,[]\n\"[-9.14510570e-03 1.13211704e-01 -2.71414037e+00 7.29740258e+00\n 1.76118232e+01 2.25748125e+01 -8.73208410e-01 1.59053720e+00\n 1.28437289e+00 1.39879141e+00 -2.01748470e+00 2.36224468e-01\n -1.58559987e+00 2.20020345e+00 6.95620616e-01 -2.17309134e+00\n 2.92863974e+00 -1.46435050e+00 8.98202279e-01 4.87782110e-02\n -2.85517254e+00 2.15280882e-03 -1.32014922e+00 4.49377782e-01\n 4.26216028e-01 -6.08192669e-01 5.40393900e-01 2.27767586e+00\n 1.72994801e+00 4.70326506e-01 -4.41505400e-01 3.09708545e+00\n -2.03170565e+00 -1.70464150e+00 -8.90627758e-01 -2.34819223e+00\n -2.75668026e+00 -1.43031857e+00 -1.82301693e+00 2.47690679e+00]\",[-65.1184173],81595,500,Maximum number of iterations has been exceeded.,False,846,7.134502988425874,4joj,70.62020952299756,3.9600000381469727,65,34,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (6, 7, 10, 11), (7, 8, 17, 18), (7, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (8, 17, 18, 19), (17, 18, 19, 20), (22, 21, 18, 17), (29, 28, 19, 18), (23, 22, 21, 18), (28, 29, 30, 31), (29, 30, 35, 36), (30, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 42, 43), (37, 42, 43, 44), (42, 43, 44, 45), (42, 43, 46, 47), (43, 44, 48, 49), (44, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 56, 57), (49, 52, 53, 55), (50, 56, 57, 58), (56, 57, 58, 59), (56, 57, 60, 61), (57, 60, 61, 63)]\"\n\"[ -1.29606144 2.01901168 -1.49837511 -99.73923208 -15.0318351\n 43.13442611 -2.88232094 0.99467831 -1.13498767 -3.02668256\n 1.09027899 1.11729467 -1.80446715 -0.58728679]\",[-153.12710066],59014,375,Optimization terminated successfully.,True,408,2.3238095359253346,5i9z,139.67872310197802,8.050000190734863,35,8,\"[(14, 0, 24, 25), (3, 2, 4, 5), (6, 5, 4, 2), (8, 6, 5, 4), (9, 23, 16, 17), (26, 31, 24, 0), (27, 26, 31, 24), (24, 31, 34, 33)]\"\n\"[ 8.46370179e-01 1.07733156e+00 -2.38122930e+00 6.24595881e+01\n 4.22426723e+01 5.90711822e+00 2.37856616e-01 -3.07924188e+00\n -2.15318513e+00 1.82356545e+00 2.57895747e+00 2.33895501e+00\n -2.81014291e+00 1.96225474e+00 2.81687726e+00 1.06431762e+00\n 1.44106542e+00 -3.83572554e-02 2.31746550e+00 2.77909011e+00\n 1.75337649e-01 7.56478411e-01 4.10348847e-01 -2.89216820e+00\n -1.90590087e+00 -5.48696875e-01 -1.03350086e+00 6.41318764e-01\n -2.10272659e+00 -5.02055258e-01 1.22882996e+00 -2.21309757e+00\n -1.66275432e+00 -1.67448133e+00 -1.01354805e+00 -2.51991026e+00\n -2.36200633e+00 1.25847317e-01 -1.64071635e+00 -9.50256529e-01\n -2.18419064e+00 -1.94055911e+00 -2.12836873e+00 -9.17456050e-01\n 2.35375891e+00 1.03474497e+00 -1.77764360e-01 2.68205900e+00\n 7.43316607e-01 -1.03137539e+00 4.07072603e-01 7.46824053e-02\n 1.06736358e-01 -1.50070956e+00 2.72808564e+00 9.11224579e-01\n -3.61812316e-01 -1.07106609e+00 -1.23066686e-01 2.76134321e+00\n -2.43844864e+00 -2.34220134e+00 1.03802813e+00 2.21255645e+00\n 4.32624491e-01 -7.65151359e-01]\",[-86.08293275],103955,500,Maximum number of iterations has been exceeded.,False,1222,5.9542298949698305,3oap,49.65128956634036,6.260000228881836,99,60,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 9, 10, 11), (9, 10, 11, 12), (14, 13, 10, 9), (10, 11, 19, 20), (15, 14, 13, 10), (11, 19, 20, 21), (19, 20, 21, 22), (19, 20, 23, 24), (20, 21, 28, 29), (20, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (21, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33), (29, 30, 36, 37), (29, 32, 33, 35), (30, 36, 37, 38), (36, 37, 38, 39), (36, 37, 40, 41), (37, 38, 44, 45), (37, 40, 41, 42), (38, 44, 45, 46), (44, 45, 46, 47), (49, 48, 45, 44), (45, 46, 54, 55), (50, 49, 48, 45), (46, 54, 55, 56), (54, 55, 56, 57), (54, 55, 58, 59), (55, 56, 65, 66), (55, 58, 59, 60), (58, 59, 60, 61), (59, 60, 61, 62), (56, 65, 66, 67), (65, 66, 67, 68), (65, 66, 69, 70), (66, 67, 73, 74), (66, 69, 70, 71), (67, 73, 74, 75), (73, 74, 75, 76), (73, 74, 77, 78), (74, 75, 81, 82), (74, 77, 78, 79), (75, 81, 82, 83), (81, 82, 83, 84), (81, 82, 85, 86), (82, 83, 90, 91), (82, 85, 86, 87), (85, 86, 87, 88), (83, 90, 91, 92), (90, 91, 92, 93), (90, 91, 94, 95), (91, 94, 95, 96)]\"\n\"[-1.05323501 1.27019184 -1.75120866 1.9050252 28.32374979 7.14801474\n -3.05502085 -2.77050668 0.07646032 1.09457175 1.00164001 2.3859688\n 0.74380439 1.67515381 2.01651617 0.46346126 0.32586558 0.74156708\n 0.76763467 -2.84733162 0.99636303 -0.99962442 2.98049289 -0.80603039\n 0.2459652 -1.97730199 -1.80720872 2.31224771 -0.97124002 0.77947736\n 1.28442258 0.18759518 0.24808863 -1.13630915 2.53984731 1.4469469\n 1.61420215 1.45539912 0.27848938 0.27943112 2.89637081 -0.66352961\n -2.45959491 -2.05083181 1.49844682 0.36574994]\",[-76.62658772],94534,500,Maximum number of iterations has been exceeded.,False,941,5.961711362956001,4gao,56.609512673819665,5.739999771118164,68,40,\"[(0, 1, 9, 10), (10, 3, 4, 5), (4, 3, 10, 7), (3, 4, 5, 6), (8, 7, 10, 3), (8, 7, 11, 12), (1, 9, 10, 3), (7, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 19, 20), (12, 15, 16, 18), (13, 19, 20, 21), (19, 20, 21, 22), (20, 21, 24, 25), (21, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (25, 26, 32, 33), (25, 28, 29, 30), (26, 32, 33, 34), (32, 33, 34, 35), (33, 34, 37, 38), (34, 37, 38, 39), (37, 38, 39, 40), (38, 39, 42, 43), (39, 42, 43, 44), (42, 43, 44, 45), (43, 44, 47, 48), (44, 47, 48, 49), (47, 48, 49, 50), (48, 49, 52, 53), (49, 52, 53, 54), (52, 53, 54, 55), (53, 54, 57, 58), (54, 57, 58, 59), (57, 58, 59, 60), (58, 59, 62, 63), (59, 62, 63, 64), (62, 63, 64, 65)]\"\n\"[-5.32166662e-01 2.01399946e+00 -1.53689349e+00 4.18904424e+01\n 1.01733682e+02 1.06308224e+02 2.90847042e+00 -2.02953358e+00\n -6.68070026e-04 -1.87020225e+00 -1.89333354e-01 -8.15985924e-01\n 3.45848082e-01 -2.07879430e+00 7.68870107e-01 1.61325365e+00\n 1.90913486e+00 -1.06673813e-01 -2.32176396e-01 2.04808155e+00\n 1.91499746e+00 1.49060835e+00 -5.35665697e-01 2.56096037e+00\n -2.85869352e-01 2.20212469e+00 2.84712768e+00 -1.74138020e-01\n 1.42752643e+00 1.39274557e+00 -1.34124601e+00 -1.97031425e+00\n -2.05719393e+00 5.61688204e-01 -1.17807917e+00 -1.77377055e+00\n 1.61226357e-01 8.91456038e-01 2.08108991e-01 -1.47439025e+00\n -1.92187542e+00 -7.53231956e-01 -2.56828189e-01 -1.44963689e+00\n -1.88614258e+00 1.94686165e+00 -4.40649234e-01 -2.21955780e-01\n -1.46861853e+00 -1.12774548e+00 -2.24754394e-01]\",[-81.30261164],79565,500,Maximum number of iterations has been exceeded.,False,1016,6.672717066153847,3d1f,88.4024845137087,5.739999771118164,77,45,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (6, 7, 10, 11), (7, 8, 15, 16), (7, 10, 11, 12), (10, 11, 12, 13), (8, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (16, 17, 24, 25), (16, 19, 20, 21), (19, 20, 21, 22), (17, 24, 25, 26), (24, 25, 26, 27), (24, 25, 28, 29), (25, 26, 31, 32), (26, 31, 32, 33), (31, 32, 33, 34), (31, 32, 35, 36), (32, 33, 40, 41), (32, 35, 36, 37), (35, 36, 37, 38), (33, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 48, 49), (41, 44, 45, 46), (42, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 57, 58), (49, 52, 53, 54), (52, 53, 54, 55), (50, 57, 58, 59), (57, 58, 59, 60), (62, 61, 58, 57), (58, 59, 68, 69), (63, 62, 61, 58), (59, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 72, 73, 74)]\"\n\"[ -1.21018057 -1.45478676 -2.48692722 -21.66985567 -47.93702506\n 13.69252992 1.75365065 1.21098492]\",[-144.27156902],28016,180,Optimization terminated successfully.,True,577,0.1684154978847505,3pjt,125.5443372425919,4.880000114440918,46,2,\"[(13, 12, 11, 6), (36, 35, 34, 29)]\"\n\"[ 0.51928073 -2.06658271 1.43916164 -65.55279949 17.91867763\n -6.84314351 0.94910076]\",[-88.16583082],9184,55,Optimization terminated successfully.,True,250,0.03257057405236265,5mfs,76.73533733761596,6.480000019073486,20,1,\"[(1, 14, 13, 0)]\"\n\"[-1.56609882 1.47656216 -1.80156547 22.91768714 36.06416681 -3.53808859\n 2.44597448 2.99506402]\",[-69.92439792],19522,124,Optimization terminated successfully.,True,220,1.124834686882177,5toe,44.460390895071214,5.599999904632568,23,2,\"[(7, 6, 5, 0), (13, 12, 11, 8)]\"\n\"[ 1.42062526e+00 -1.15888369e+00 -7.79702724e-02 1.92922990e+01\n 6.20551370e+01 1.86733217e+01 1.20276285e+00 4.01626266e-01\n 2.82390185e+00 2.36008064e+00 2.58657114e+00 5.71727700e-02]\",-177.63859619018893,28353,179,Optimization terminated successfully.,True,475,1.4782359675431815,3tl5,155.4548370419395,7.849999904632568,35,6,\"[(24, 23, 2, 1), (17, 16, 7, 6), (11, 10, 9, 4), (25, 24, 23, 2), (26, 27, 30, 31), (27, 30, 32, 33)]\"\n\"[-2.62145082 0.09013193 0.51881694 22.70758126 10.07702868 11.43803016\n 0.98881565 -0.0662194 2.27658281 -1.42073346 1.20479445 -1.92735553]\",[-127.98292837],43810,269,Optimization terminated successfully.,True,321,1.622964492912885,5llo,111.6959406959071,9.399999618530273,29,6,\"[(10, 1, 8, 7), (8, 1, 10, 0), (2, 4, 15, 16), (12, 11, 8, 1), (20, 19, 13, 11), (21, 20, 19, 13)]\"\n\"[-0.83507825 -1.07052011 1.78751503 15.40954418 90.31625694 37.76536486\n 0.33935836 1.4817731 -1.49386971]\",-212.55044805820904,24996,161,Optimization terminated successfully.,True,290,1.9277672934813497,6fyl,216.71867386426763,8.149999618530273,25,3,\"[(3, 4, 22, 23), (15, 14, 9, 6), (16, 15, 14, 9)]\"\n\"[ 0.21590287 -0.22969787 1.66154753 33.30988439 -4.6974607 26.82282317\n 2.24432829 2.76004114 2.16154195 -2.29737871 2.23962469 2.98350756]\",-145.86279987648336,78429,500,Maximum number of iterations has been exceeded.,False,490,1.3052653191731667,1xpc,150.1722962874651,8.770000457763672,33,6,\"[(12, 11, 0, 1), (19, 18, 1, 0), (20, 21, 24, 25), (21, 24, 25, 26), (24, 25, 26, 27), (29, 28, 26, 25)]\"\n\"[ 0.31603982 -0.97976557 -0.1813201 3.82366034 -5.73361392 -9.75771663\n 1.61270792 2.43484942 2.5185828 0.86782254 -0.05359693 -1.23636282\n -2.44068562 -1.17552973 0.66833601 -2.57859199 -2.73028634 2.67161869\n -1.56191866 0.81028774 1.01581439 0.08501624 1.54909063 -2.26631065\n 3.10337036 1.46517872 -0.48125572 2.37853334 0.72832131 3.01996521\n 2.8157355 0.67660245 -3.03487826 1.91902037]\",[-53.26820398],86675,500,Maximum number of iterations has been exceeded.,False,532,3.238395890202964,3qzv,80.18665266887248,4.159999847412109,42,28,\"[(0, 1, 2, 3), (1, 2, 4, 5), (2, 4, 5, 6), (4, 5, 6, 7), (4, 5, 8, 9), (5, 6, 13, 14), (5, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (6, 13, 14, 15), (13, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (17, 18, 19, 20), (17, 18, 21, 22), (18, 19, 25, 26), (18, 21, 22, 23), (19, 25, 26, 27), (25, 26, 27, 28), (26, 27, 38, 37), (29, 30, 32, 33), (30, 32, 33, 34), (32, 33, 34, 35), (33, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (36, 37, 38, 27), (36, 37, 39, 40)]\"\n\"[ -0.59490659 -1.54232425 1.05162613 3.17156761 -23.81226647\n -18.62063016 1.49114967 -1.45279413 0.51565667]\",[-81.8870893],31603,200,Optimization terminated successfully.,True,247,0.4287029223571478,5i13,69.68746535742538,5.079999923706055,19,3,\"[(0, 6, 7, 8), (10, 9, 8, 7), (11, 10, 9, 8)]\"\n\"[ 0.25548774 -1.14965697 -1.39115512 1.63570419 -37.51624394\n 4.97017194 1.78173302 -1.56146485 -1.34453358 -0.99483049\n 1.65970869 -1.86473812 -2.57518825]\",[-187.79367173],73318,461,Optimization terminated successfully.,True,339,1.63059859439609,5vyy,170.03271166922772,6.210000038146973,27,7,\"[(18, 10, 9, 17), (20, 17, 9, 10), (16, 18, 10, 9), (5, 13, 11, 21), (7, 21, 11, 13), (15, 19, 12, 22), (19, 12, 25, 0)]\"\n\"[ -0.67161499 -0.53159782 -1.05260139 -27.68477711 14.92381293\n 76.15498142 0.97012434 -0.32821627 -2.83479603 1.19979493]\",[-98.60692879],19437,120,Optimization terminated successfully.,True,322,1.5517466071104669,5ut6,94.97817755920994,4.239999771118164,23,4,\"[(2, 19, 1, 11), (12, 3, 13, 22), (10, 16, 9, 4), (9, 16, 10, 17)]\"\n\"[-2.30587757 1.10528447 -1.22865999 3.71695942 51.8466089 48.8158623\n -1.07965154 -0.06190993 2.45183211 0.14587748 1.66907607 2.89237291\n 1.61126912]\",[-112.90128888],59036,369,Optimization terminated successfully.,True,390,2.116789428825964,1g05,90.23243299869841,8.510000228881836,29,7,\"[(1, 0, 8, 9), (2, 3, 6, 7), (12, 11, 8, 0), (11, 12, 18, 19), (25, 22, 15, 14), (12, 18, 19, 20), (24, 25, 22, 15)]\"\n\"[ 0.92484756 -2.99205251 0.61369603 -1.07421099 -24.02786282\n -5.46319181]\",-30.173843537385036,12297,80,Optimization terminated successfully.,True,103,7.258687477651086e-05,3mjl,19.26680620494215,2.440000057220459,6,0,[]\n\"[-1.07517472 -1.35763574 0.20026225 30.83774733 15.18126167 16.42640835\n 0.5256455 -1.86749915 1.91438997]\",-39.10923404914371,27291,176,Optimization terminated successfully.,True,299,1.4579123198638368,4umr,31.46188164765273,3.799999952316284,20,3,\"[(3, 4, 7, 8), (10, 9, 7, 4), (11, 10, 9, 7)]\"\n\"[ 0.81209517 -1.40466142 1.31410344 33.75802165 9.59844362 -2.02153295\n 1.11235405 0.17647731 0.57257552 -2.34914392 2.93584579 2.25022662\n -1.36965413 -2.30587972 2.50213473 -1.85929617]\",[-95.84379399],80025,488,Optimization terminated successfully.,True,552,2.7333191090596616,2xgo,82.45219338973794,3.0,39,10,\"[(18, 12, 0, 1), (11, 8, 22, 9), (11, 8, 32, 31), (13, 9, 22, 8), (10, 38, 9, 13), (16, 10, 38, 9), (16, 14, 35, 36), (23, 27, 31, 32), (25, 29, 33, 34), (27, 31, 32, 8)]\"\n\"[ -1.94376954 2.31147294 1.55053175 -25.70633482 15.12375234\n 7.03360339 2.39936925]\",[-47.58863841],10328,63,Optimization terminated successfully.,True,148,0.9181157242116234,5ofw,39.955179874038464,2.799999952316284,11,1,\"[(0, 5, 8, 9)]\"\n\"[ -2.15816203 2.39990142 1.58309215 -17.63393761 91.6888964\n 21.89665767 -0.58671918 -2.13890941 -2.49286484 -2.99313009\n -0.17015881 -2.17617363]\",-51.98361452432858,19149,120,Optimization terminated successfully.,True,660,0.5930619049193742,3zst,27.215196302036755,1.7200000286102295,66,6,\"[(3, 4, 5, 10), (14, 15, 16, 21), (25, 26, 27, 32), (36, 37, 38, 43), (47, 48, 49, 54), (58, 59, 60, 65)]\"\n\"[-6.32686595e-01 -2.50766227e-02 -3.09638240e+00 9.72022549e+01\n -4.00156869e+01 -1.84021353e+01 -1.47395967e+00 7.97990391e-02\n 1.76018706e+00]\",-85.01956857225585,12144,77,Optimization terminated successfully.,True,219,0.984834604776874,5e5g,68.02028517973477,3.1500000953674316,15,3,\"[(3, 2, 1, 0), (0, 1, 12, 13), (4, 3, 2, 1)]\"\n\"[ 2.36433913e+00 -2.54775118e+00 -1.54256124e+00 -9.59883164e+01\n -1.27843398e+02 -1.68304860e+01 2.79238675e+00 1.83693444e-01\n -8.02662337e-01 -1.55185616e+00 4.31133857e-01 2.34736366e+00\n 9.42100123e-01 2.73504134e+00 1.32037933e+00 7.22282719e-01\n -1.11442940e+00 1.81787859e+00 4.91870008e-01 -2.05178074e+00\n -2.43701879e+00 2.03972064e+00 6.33966940e-02 2.08574009e-01\n -9.61664423e-01 1.21742958e+00 -5.62522256e-02 -9.57350691e-01\n -1.30771744e+00 -1.05013678e+00 3.13655434e+00 -2.34423358e-01\n 2.77684638e+00 8.48449574e-01 -2.46789855e+00 2.36147993e+00\n 1.30684415e-02 2.31143477e+00 4.03657171e-01 1.50004200e+00\n -1.77529603e+00 4.57578312e-01 -1.60877436e+00 2.05878145e+00\n 4.57760923e-01 -2.01282158e+00 -3.03655433e-01 -2.60664425e-02\n -1.21411304e+00 1.53929691e+00 -3.45444606e-01 8.37348315e-01\n -7.60513823e-01 3.13182958e+00 -3.04693463e+00 -2.30263495e+00\n -4.83178946e-01 -4.60779926e-01 2.77220559e+00]\",[-81.50280614],91857,500,Maximum number of iterations has been exceeded.,False,1148,6.112098318433912,5n7x,78.4155259210188,5.239999771118164,100,53,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (2, 9, 10, 11), (9, 10, 11, 12), (14, 13, 10, 9), (10, 11, 23, 24), (15, 14, 13, 10), (11, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 30, 31), (25, 30, 31, 32), (30, 31, 32, 33), (35, 34, 31, 30), (41, 40, 32, 31), (36, 35, 34, 31), (40, 41, 42, 43), (41, 42, 47, 48), (42, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 56, 57), (48, 51, 52, 53), (51, 52, 53, 54), (49, 56, 57, 58), (56, 57, 58, 59), (61, 60, 57, 56), (57, 58, 67, 68), (62, 61, 60, 57), (58, 67, 68, 69), (67, 68, 69, 70), (67, 68, 71, 72), (68, 69, 76, 77), (68, 71, 72, 73), (71, 72, 73, 74), (69, 76, 77, 78), (76, 77, 78, 79), (76, 77, 80, 81), (77, 78, 85, 86), (77, 80, 81, 82), (80, 81, 82, 83), (78, 85, 86, 87), (85, 86, 87, 88), (85, 86, 89, 90), (86, 87, 94, 95), (86, 89, 90, 91), (89, 90, 91, 92), (90, 91, 92, 93), (87, 94, 95, 96), (94, 95, 96, 97)]\"\n\"[ 1.20855048 1.53593713 0.13825256 -0.10728079 21.74537944 23.76518618\n 0.92048035 -1.23528905 2.37621294 -0.39164706]\",[-93.82907071],48759,319,Optimization terminated successfully.,True,439,2.0446759497408764,3h0j,76.0784008414978,6.489999771118164,34,4,\"[(0, 13, 14, 15), (17, 16, 14, 13), (23, 22, 21, 18), (24, 23, 22, 21)]\"\n\"[-0.80033713 0.85715351 -1.89500186 84.89937132 94.08564219 15.88401059\n -2.33004749 -0.51760041]\",[-44.90912059],14776,91,Optimization terminated successfully.,True,169,0.8870633952264143,5evk,29.34756903586915,4.920000076293945,13,2,\"[(0, 4, 2, 1), (5, 6, 7, 8)]\"\n\"[ 0.53409941 -2.10065237 -0.10918864 -29.42053499 34.58863248\n -68.25028922 3.13163831 0.59828601 0.61638496 -1.15449677\n 1.23550086]\",[-60.29523051],30192,191,Optimization terminated successfully.,True,263,1.3246500685540534,4nyj,41.566063076350204,3.490000009536743,21,5,\"[(10, 9, 8, 4), (11, 10, 9, 8), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 19, 20)]\"\n\"[ 0.75994038 -2.16057008 0.18668349 24.78473461 24.31529495 21.49161286\n -1.51789572 -0.41733966 1.54348894 1.11157697 1.16912487 0.7308518\n -0.63367188]\",[-94.66072149],42256,260,Optimization terminated successfully.,True,339,2.3012197045902822,4oel,56.24449633049204,7.0,19,7,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (11, 10, 7, 6), (12, 11, 10, 7)]\"\n\"[ 1.30251908 2.46616945 1.51666147 -1.8336083 7.27441198\n -23.1057838 -0.84379242 -1.62433741 2.96693764 0.89799127\n -2.63071715]\",[-164.68338076],39330,248,Optimization terminated successfully.,True,316,1.3546335650666002,4bie,146.60804817702382,6.599999904632568,22,5,\"[(0, 7, 6, 2), (1, 10, 21, 16), (16, 12, 13, 17), (13, 12, 16, 21), (10, 21, 16, 12)]\"\n\"[ 3.0412858 1.28044579 0.56663687 27.85784543 47.25265336 -2.07437287\n -1.58111678 0.72070591 2.82904699]\",[-114.06492194],8157,48,Optimization terminated successfully.,True,227,0.6717988780699852,2vqt,102.57888164483188,6.0,15,3,\"[(3, 2, 1, 0), (10, 11, 12, 13), (11, 12, 13, 14)]\"\n\"[ 0.48842827 -1.12324487 2.70222268 8.69868676 88.30206213\n 105.20339468 -2.74697266 -2.46139474 -0.30251307 1.21903992\n 2.80904593 -0.33318992 2.23444888]\",[-77.17537565],22742,135,Optimization terminated successfully.,True,405,0.7702698655016569,3ut5,65.60579165969075,5.739999771118164,35,7,\"[(8, 10, 11, 12), (15, 16, 19, 20), (0, 24, 23, 22), (24, 27, 28, 29), (27, 28, 30, 31), (28, 30, 31, 32), (30, 31, 32, 33)]\"\n\"[-1.2862495 -2.41950703 -2.84507266 12.11391301 36.03610119 34.90544144\n 2.90370708 -1.92234461 -2.16431265]\",[-94.11543438],9880,59,Optimization terminated successfully.,True,229,0.9237252636591747,1ajn,75.4980537622411,2.630000114440918,13,3,\"[(2, 1, 0, 12), (10, 2, 1, 0), (4, 5, 6, 8)]\"\n\"[ 1.12710333 -0.72151049 -0.09894141 13.31918473 21.15340173 7.93773893\n -0.38843247 -1.49056756 -1.48539715 -1.13115655 2.63408685 0.69769184\n 0.09259982 0.82060965 -3.07712445 -0.35399128 0.65051414 0.45910157]\",[-85.95425909],82511,500,Maximum number of iterations has been exceeded.,False,529,3.794294603591506,1npv,164.31623711839478,8.239999771118164,44,12,\"[(28, 0, 1, 2), (29, 28, 0, 1), (0, 1, 3, 4), (1, 3, 4, 5), (3, 4, 5, 6), (22, 21, 4, 3), (8, 7, 5, 4), (5, 7, 8, 9), (10, 9, 8, 7), (11, 10, 9, 8), (35, 34, 20, 16), (23, 22, 21, 4)]\"\n\"[ -2.49177587 -0.07583661 -1.8038255 -21.99448449 27.36583958\n 1.69643613 0.0775693 -0.08609705 -0.89066573 1.19680097\n 1.28733825 1.04515456 2.1860078 0.36675768]\",-90.14234056318313,77469,500,Maximum number of iterations has been exceeded.,False,393,2.667106164471919,4ayx,75.4481729215022,3.700000047683716,31,8,\"[(1, 0, 7, 4), (5, 4, 7, 0), (5, 4, 11, 8), (9, 8, 11, 4), (9, 8, 12, 13), (14, 13, 12, 8), (15, 14, 13, 12), (22, 21, 20, 15)]\"\n[ 0.74263365 -0.12115274 -1.26404738 23.34941373 13.39555189 8.50648418],[-80.41046801],8056,50,Optimization terminated successfully.,True,178,1.8574084802226203,4joo,78.42973472944485,4.429999828338623,20,0,[]\n\"[ -2.55200709 -1.64437769 3.10079763 -16.76643761 10.81103104\n -37.84634956 0.88644024 2.93745588 0.74524528 -1.55866303\n 0.24052912]\",[-102.6512947],71534,454,Optimization terminated successfully.,True,412,3.4656298549045865,3oy1,107.0021020967947,7.800000190734863,35,5,\"[(11, 10, 7, 6), (23, 22, 11, 10), (17, 16, 13, 12), (29, 28, 26, 25), (30, 29, 28, 26)]\"\n\"[-3.12299158 0.50229194 -0.46321894 2.03475951 2.26244409 46.48414416\n -2.73332033]\",[-34.45162722],21872,139,Optimization terminated successfully.,True,193,1.9384833414905493,4bqs,13.580490839113386,4.210000038146973,15,1,\"[(4, 3, 1, 0)]\"\n\"[ 0.19059874 -0.48399016 2.28796235 -5.02259719 11.98903404 12.38573937\n -2.03192277 0.25118945 3.08286201 -0.91869533]\",[-123.77318063],46509,304,Optimization terminated successfully.,True,285,1.918164012377585,6h2z,98.23965550102187,9.300000190734863,24,4,\"[(1, 0, 18, 19), (2, 3, 6, 21), (7, 22, 6, 3), (13, 12, 9, 8)]\"\n\"[-3.10405970e+00 1.65087647e+00 -2.53346583e+00 3.60799448e+01\n 2.83906376e+01 1.81571420e+01 3.01123206e+00 1.69811381e-02\n 1.50445997e+00 -2.07371545e+00 -5.89007370e-01 -1.36191280e+00\n 1.91435592e+00 6.14165425e-01]\",[-192.02107382],57984,365,Optimization terminated successfully.,True,579,3.131507326959547,3kqb,229.6799361167228,9.300000190734863,41,8,\"[(3, 13, 12, 4), (27, 21, 14, 5), (19, 28, 15, 6), (7, 16, 31, 23), (8, 18, 40, 24), (11, 19, 23, 31), (11, 20, 25, 37), (16, 31, 23, 19)]\"\n\"[ -0.36487741 1.27637894 1.91344785 19.3982898 15.45051154\n -30.19937987 0.49940892 -0.7060038 0.68363534 0.40212685\n 1.012394 0.17878287 -1.22761725 -2.02017714 3.08678982\n -0.82976303 -1.31163732 2.08522132 1.62541719 -0.26479033\n 1.72682749 -2.71094146 1.04344073 1.6001033 -2.08530313\n -1.10242242 -0.89142156 1.18710275 2.05801065 -2.98368223\n 0.67042346 0.60322648 -0.54741274 2.09552404 -2.33122212\n -2.1273802 -2.53414435 -1.29495187 -2.39740966 -0.47338447\n -0.61225491 1.16693394 -1.58352786 -1.85968477 -1.34875691]\",[-66.60188046],91928,500,Maximum number of iterations has been exceeded.,False,912,6.478526835996698,2v87,80.75101797079577,4.599999904632568,69,39,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 16, 17), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (6, 16, 18, 19), (16, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 25, 26), (20, 25, 26, 27), (25, 26, 27, 28), (25, 26, 32, 33), (26, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 34), (26, 32, 37, 38), (32, 37, 38, 39), (37, 38, 39, 40), (37, 38, 41, 42), (38, 39, 46, 47), (38, 41, 42, 43), (41, 42, 43, 44), (39, 46, 47, 48), (46, 47, 48, 49), (46, 47, 50, 51), (47, 48, 53, 54), (48, 53, 54, 55), (53, 54, 55, 56), (54, 55, 58, 59), (55, 58, 59, 60), (58, 59, 60, 61), (59, 60, 63, 64), (60, 63, 64, 65), (63, 64, 65, 66)]\"\n\"[ -2.24261666 0.50096129 0.54153824 -4.91887624 -8.28643793\n -25.61729094 -3.09667163 -1.08467833 -0.88140754 1.61266432\n -1.73663511 -1.34336103 2.77615037 -0.04554828 1.68316842\n -1.59715103 -2.45673018 1.94730085 3.13760498 1.04224119\n -1.67274665]\",[-73.97004529],87820,500,Maximum number of iterations has been exceeded.,False,439,3.42556535937828,2oz2,107.28834740558841,5.710000038146973,41,15,\"[(0, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (12, 11, 10, 9), (9, 10, 18, 19), (13, 12, 11, 10), (10, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (20, 21, 30, 31), (24, 23, 22, 21), (25, 24, 23, 22), (21, 30, 31, 32), (30, 31, 32, 33), (36, 35, 32, 31)]\"\n\"[-2.47522676e+00 1.69468649e+00 -1.17048020e+00 -3.00380985e+01\n -5.88356164e+01 -3.09107045e+01 2.43632666e+00 -6.39455903e-02\n -4.38488937e-01 5.79922011e-01 -1.73137730e+00 2.57060421e+00\n 6.26479608e-01 -1.68298842e+00 3.71635082e-01 -1.18581220e-01\n 2.44273969e+00 6.53788783e-01 9.14828125e-01 -1.67294602e+00\n -1.53802210e+00 -9.92644456e-01 -8.45597356e-01 -2.91245414e+00\n 1.66607743e+00 1.77587693e+00 1.22984731e+00 -1.15122308e+00\n -2.19822181e+00 2.43046376e+00 5.30341357e-02 -1.99656299e+00]\",[-61.62385323],81315,500,Maximum number of iterations has been exceeded.,False,930,5.092732507145232,5w5u,68.05188513038217,7.190000057220459,107,26,\"[(1, 0, 4, 6), (5, 3, 6, 4), (17, 16, 3, 5), (0, 4, 6, 3), (3, 6, 7, 9), (6, 7, 9, 10), (12, 8, 10, 9), (8, 10, 9, 7), (18, 17, 16, 3), (24, 26, 27, 28), (26, 27, 28, 29), (33, 34, 37, 38), (34, 37, 38, 39), (37, 38, 39, 41), (47, 46, 43, 42), (48, 47, 46, 43), (59, 58, 55, 54), (60, 59, 58, 55), (65, 66, 69, 70), (66, 69, 70, 71), (69, 70, 71, 73), (79, 78, 75, 74), (80, 79, 78, 75), (88, 89, 92, 93), (89, 92, 93, 94), (96, 97, 100, 101)]\"\n\"[-1.52161749 1.73482361 0.75670847 50.22251768 3.61940479 14.14385151\n -0.39523488 -1.23514116 -1.36476915 2.09016764 0.92653151 -0.61931234\n -2.3874525 -2.27330423 -2.12925485 3.03601688 0.49823123 -1.39538744\n 1.10425263 -0.23022315]\",[-51.06849611],82218,500,Maximum number of iterations has been exceeded.,False,636,5.1033944891844705,5ggp,15.319428671030387,3.299999952316284,36,14,\"[(0, 1, 2, 3), (0, 1, 4, 5), (8, 7, 2, 1), (7, 8, 9, 10), (8, 9, 14, 15), (9, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (22, 21, 16, 15), (21, 22, 23, 24), (22, 23, 28, 29), (23, 28, 29, 30), (28, 29, 30, 31), (28, 29, 32, 33)]\"\n\"[ 1.43019954 1.0901848 0.71335512 -41.44736217 17.52208661\n 10.98828541 1.87340995 1.72443051 1.36875495 1.05361438\n 0.89317329 -1.28268368 -0.06741551]\",[-158.92718014],44512,275,Optimization terminated successfully.,True,399,3.649416536534329,4zt4,105.47857186771132,8.0,25,7,\"[(0, 2, 1, 14), (2, 1, 14, 3), (15, 3, 14, 1), (14, 3, 15, 16), (3, 15, 18, 19), (20, 19, 18, 15), (21, 20, 19, 18)]\"\n\"[-1.45274475e+00 1.07715169e+00 2.01632573e+00 3.14470004e+01\n -2.94822634e+01 1.00622865e+01 -2.20311935e+00 -1.73090291e+00\n -1.48148345e+00 -6.45838438e-01 2.78648646e-02 -1.04091746e+00\n 3.19739374e-01]\",[-74.1738204],48438,306,Optimization terminated successfully.,True,484,2.260986873128653,5jog,64.28538903921975,8.239999771118164,37,7,\"[(9, 4, 3, 2), (16, 15, 14, 26), (25, 26, 14, 15), (16, 17, 32, 35), (3, 22, 21, 8), (2, 25, 26, 14), (15, 30, 31, 33)]\"\n\"[ 0.57374851 -1.57276777 -2.19140099 11.49806529 49.37149599\n -33.1690349 -0.13035136 -2.77181901 2.02994871 0.0956101\n -0.08506698 -1.94846309 -1.18229026 0.48865322 -1.08447791]\",[-49.74939352],76014,500,Maximum number of iterations has been exceeded.,False,475,4.239776147320102,5y0z,25.644175691919422,6.340000152587891,35,9,\"[(1, 0, 2, 3), (5, 4, 0, 1), (5, 6, 7, 8), (6, 7, 30, 31), (20, 22, 23, 24), (22, 23, 24, 25), (23, 24, 26, 27), (28, 27, 26, 24), (6, 28, 27, 26)]\"\n\"[ 2.51106943e-02 -3.01436819e+00 2.31410919e+00 4.24750367e+01\n 1.50540234e+00 1.44117721e+01 -1.76387421e+00 1.31119240e+00]\",[-90.83959171],10107,62,Optimization terminated successfully.,True,307,0.11251749998599002,4g1f,80.45636703534603,7.769999980926514,24,2,\"[(4, 6, 7, 8), (11, 10, 9, 6)]\"\n\"[ 1.7059607 3.00497865 -1.08635954 1.09563779 49.4316856 4.87600062\n 0.64928369 2.62108027 -0.27954475 2.7733937 ]\",[-199.38654831],14286,85,Optimization terminated successfully.,True,371,2.7486098342037155,2wev,243.07257086187926,8.0,23,4,\"[(8, 7, 6, 3), (14, 13, 12, 8), (15, 14, 13, 12), (16, 17, 18, 19)]\"\n\"[-0.7272004 -1.51144406 0.28108724 23.96781024 17.40996177 27.2832928\n -1.29936916 -0.89454227 1.50471338 -2.9142388 -0.26437355]\",[-133.98897756],38390,238,Optimization terminated successfully.,True,281,0.8804204340126058,1n9m,149.38761828524105,10.960000038146973,16,5,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (7, 6, 5, 4), (8, 7, 6, 5)]\"\n\"[ 0.7811514 -1.71340099 -0.83759076 16.49019359 19.26111924 25.8090663\n 2.22086641 2.35681998 1.1512309 2.9837017 -1.71226027 1.19982966\n 0.27311353 0.78886947 0.49679225 -0.35831804 0.1633271 2.12080383]\",[-126.37354285],82397,500,Maximum number of iterations has been exceeded.,False,341,2.7330464650206596,2anm,171.08204302826056,8.739999771118164,33,12,\"[(0, 1, 7, 8), (3, 4, 6, 10), (4, 6, 10, 11), (12, 11, 10, 6), (14, 12, 11, 10), (12, 17, 18, 19), (17, 18, 19, 21), (18, 19, 21, 22), (27, 26, 19, 18), (19, 21, 22, 23), (21, 22, 23, 24), (28, 27, 26, 19)]\"\n\"[-2.08713094 -0.4139648 2.77315969 -3.69636251 43.31633581 12.86880473\n 3.05291409 -2.52558229 -1.88456773 1.09303588]\",[-79.352172],11710,69,Optimization terminated successfully.,True,329,2.0688426091714174,1qi0,46.72444172729615,2.3499999046325684,23,4,\"[(14, 20, 0, 9), (3, 4, 5, 10), (0, 20, 14, 15), (14, 15, 16, 22)]\"\n\"[ 2.90106046 -2.52534396 1.40528981 -14.26984588 -15.23303506\n 10.86140074 -2.64800612]\",[-70.76007068],13200,79,Optimization terminated successfully.,True,243,0.11571373634945259,5ngt,65.33273730192138,5.889999866485596,16,1,\"[(7, 6, 5, 0)]\"\n\"[-2.02761974e+00 -8.57824436e-01 2.88724695e+00 -1.50048899e+01\n 5.19170806e+01 -4.49667711e-01 -1.55096653e+00 -9.92546162e-03\n 1.20600137e+00 -1.07809544e+00 5.07545337e-02 6.74561460e-01\n -1.25288975e+00 -1.33636960e+00 -7.13448173e-01 4.12682623e-01\n 2.59249871e+00 -1.14082670e+00 -1.04164625e+00 3.69746832e-02\n -3.44115621e-01 -4.71743353e-01 1.43915765e+00 -5.58311390e-01\n -4.29710664e-01 5.58034828e-01 2.31260907e-01 -1.54287261e+00\n -2.34246600e+00 2.60063760e+00 1.76590095e+00 1.30714836e-01\n 2.42978811e-01 1.45974249e+00 -1.03853404e+00 1.12977043e+00\n 2.26588147e+00 3.83387240e-01 -3.97024595e-01 -1.60368329e+00\n 1.18263585e+00 2.32520084e+00 -8.11626019e-01 1.65500943e+00\n -7.73010965e-01 -8.39533064e-01 -1.19505288e+00]\",[-92.43152301],98940,500,Maximum number of iterations has been exceeded.,False,1186,5.1617149719403415,5j5x,204.59219735424531,11.020000457763672,76,41,\"[(9, 8, 0, 1), (11, 3, 23, 22), (24, 15, 16, 17), (16, 15, 26, 27), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (3, 23, 22, 21), (15, 26, 27, 28), (26, 27, 29, 30), (27, 29, 31, 32), (29, 31, 32, 33), (31, 32, 33, 34), (31, 32, 40, 41), (32, 33, 34, 35), (33, 34, 35, 36), (34, 35, 36, 37), (32, 40, 42, 43), (40, 42, 43, 44), (42, 43, 44, 45), (42, 43, 51, 52), (43, 44, 45, 46), (44, 45, 46, 47), (45, 46, 47, 48), (43, 51, 53, 54), (51, 53, 54, 55), (53, 54, 55, 56), (53, 54, 62, 63), (54, 55, 56, 57), (55, 56, 57, 58), (56, 57, 58, 59), (54, 62, 64, 65), (62, 64, 65, 66), (64, 65, 66, 67), (64, 65, 73, 74), (65, 66, 67, 68), (66, 67, 68, 69), (67, 68, 69, 70)]\"\n\"[-5.84798381e-01 -2.84004426e+00 9.64867995e-01 1.45284370e+01\n 1.20327351e+01 4.11907014e+01 -3.11452872e-02]\",[-69.46342933],7878,46,Optimization terminated successfully.,True,196,0.03269718120055492,3pcc,62.985608238382326,3.619999885559082,10,1,\"[(12, 7, 4, 6)]\"\n\"[ 2.08781508 1.90492472 1.16734443 49.5903308 64.28544071 4.22956834\n -0.79248974 0.93645763 -0.69667607 -0.22184797 2.89421798 1.45537236\n 1.27931052]\",[-134.75331742],38174,235,Optimization terminated successfully.,True,494,0.9844229741094174,4l02,118.70843895678641,7.699999809265137,31,7,\"[(9, 8, 7, 0), (14, 13, 12, 9), (15, 14, 13, 12), (16, 19, 20, 21), (22, 21, 20, 19), (23, 22, 21, 20), (22, 28, 29, 30)]\"\n\"[ -2.43075214 -1.24516639 -1.2665026 21.20573839 2.77404907\n -17.28189703 -0.0722523 0.05353109 2.56708569 -2.40956605\n 1.37531181]\",[-75.21124107],30422,190,Optimization terminated successfully.,True,309,0.8446590681774147,2g79,64.01039644487645,6.920000076293945,21,5,\"[(0, 5, 6, 7), (6, 7, 8, 9), (8, 9, 10, 11), (10, 11, 12, 13), (12, 13, 14, 15)]\"\n\"[-8.55477289e-01 -2.02790337e+00 -1.64966408e+00 3.66067857e+01\n 9.29970187e+01 -7.91321575e-02 1.71181981e+00 -7.61455004e-01\n -1.83124923e+00 -1.89378068e+00]\",-93.67074775610968,11781,76,Optimization terminated successfully.,True,307,1.6957792265265423,1r6z,82.32522524536253,5.0,23,4,\"[(15, 6, 0, 1), (3, 4, 5, 11), (14, 15, 6, 0), (15, 16, 17, 22)]\"\n\"[ 1.03758978 0.23882528 0.95669294 8.77111606 -17.37089066\n -22.22804392 1.23473622 0.7592693 -1.30701789 -2.84926576\n 2.95777436 0.89048559 1.64358975 1.79377027 -0.272556\n -2.18622992 -1.25677478 2.15865787 0.32298215 -0.84143865\n 0.51080122 -0.42512843 1.38855874 -0.93678186 -0.85175247\n -1.16180078 -0.47895386 -0.03908471 1.15254568 -0.24545641\n 1.74724887 -1.28126738 2.61370165]\",[-84.57302987],87085,500,Maximum number of iterations has been exceeded.,False,704,6.35913013901647,5tw5,61.81916370406155,7.420000076293945,46,27,\"[(3, 0, 1, 19), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 16), (13, 14, 24, 25), (17, 16, 15, 14), (2, 17, 16, 15), (14, 24, 26, 27), (24, 26, 28, 29), (26, 28, 29, 30), (28, 29, 30, 31), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (33, 34, 35, 36), (34, 35, 36, 37), (35, 36, 37, 38), (36, 37, 38, 39), (40, 39, 38, 37), (41, 40, 39, 38)]\"\n\"[ -2.36454404 1.22423528 0.47022896 -12.10923599 49.93143109\n -51.24560881 1.39529436 -0.51580449 2.65562335 0.64985027\n 2.44705486 0.23368467 2.36865657 1.25942563 1.72663439\n 1.60356695 1.90605472 0.79675721 -1.89192992]\",[-56.05426863],77832,500,Maximum number of iterations has been exceeded.,False,385,2.345353370883363,3wch,37.72474414569491,7.050000190734863,26,13,\"[(0, 1, 4, 5), (1, 4, 5, 6), (11, 10, 4, 1), (12, 11, 10, 4), (12, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25)]\"\n\"[-2.88947599 -1.26308229 0.57334392 38.43460979 21.88457869 11.74330031\n 1.71462863 2.9025941 0.17123773 -1.03171369 -1.86890348 -2.71380118\n 1.97349544]\",[-46.50356684],80872,500,Maximum number of iterations has been exceeded.,False,382,2.112860684865078,5fum,35.3777507089295,4.739999771118164,30,7,\"[(18, 0, 1, 2), (19, 18, 0, 1), (0, 1, 2, 3), (5, 4, 2, 1), (9, 8, 7, 6), (10, 11, 14, 15), (25, 24, 21, 20)]\"\n\"[ 2.33573592 -2.22311363 -1.48836141 -5.48061204 -9.25711224 17.66095878\n -3.06716157 0.54947726 -0.04640954 -0.51320953]\",[-207.67117492],34937,227,Optimization terminated successfully.,True,270,1.823230573116265,5xva,201.05629471232305,7.289999961853027,27,4,\"[(10, 20, 0, 1), (23, 14, 5, 3), (0, 20, 10, 11), (15, 23, 14, 5)]\"\n\"[-2.41799351 -1.36855493 -1.06998389 43.7701179 52.74457338 66.04627251\n 0.49882591 -3.06179652 -1.7819345 2.24217945 -1.22120174 -1.71549833\n -2.76234427 3.10740805 2.11742693]\",[-62.93123084],26624,167,Optimization terminated successfully.,True,297,2.6930960475939236,1uxa,39.18977055122655,2.299999952316284,32,9,\"[(2, 1, 0, 12), (22, 28, 1, 0), (3, 4, 11, 9), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 18), (4, 11, 9, 10), (1, 28, 22, 21), (23, 24, 25, 31)]\"\n\"[ -0.09755762 2.04000234 -2.2726488 56.92707674 -16.94828199\n -12.17755119 0.06949048 -3.08693769 1.24888054 1.09265088\n -1.44710195]\",[-192.84134801],28884,179,Optimization terminated successfully.,True,313,1.551814538188474,4bci,161.95050727964139,8.220000267028809,27,5,\"[(3, 2, 1, 0), (8, 7, 6, 4), (11, 10, 9, 8), (12, 11, 10, 9), (12, 13, 14, 15)]\"\n\"[ 2.38723311 -0.93859306 -2.39041934 15.55369304 27.02535177 3.20418235\n 0.98110361 -2.75265175 0.49601016 -1.32795555 -2.79095107 0.07158427\n 1.59115528 0.59511097 0.96847529 0.80123003 3.0667382 2.85432401\n -2.83615273 -2.26506887 -0.88726219 2.30426488 -0.67549502 0.64326027\n 1.93882554 -0.58045053 -1.12385576 -2.29982643 2.46485299]\",[-105.10021506],94734,500,Maximum number of iterations has been exceeded.,False,623,4.873056077261997,1ec2,205.54142129846815,10.0,56,23,\"[(1, 0, 30, 29), (45, 44, 3, 2), (7, 6, 12, 13), (51, 50, 9, 8), (6, 12, 13, 14), (12, 13, 14, 15), (13, 14, 15, 16), (13, 14, 33, 34), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (16, 17, 29, 30), (17, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (20, 21, 25, 26), (21, 25, 27, 28), (0, 30, 29, 17), (14, 33, 35, 36), (33, 35, 36, 37), (35, 36, 37, 38), (35, 36, 40, 41), (36, 40, 42, 43)]\"\n\"[ 0.73228985 -1.08685559 -1.52678201 13.60344326 1.40825233 25.2579231\n 2.51689269 -0.23389531 0.44352431 -1.88957515 2.40624733]\",[-76.61564926],50426,322,Optimization terminated successfully.,True,304,1.6884486866835595,3vrt,79.94831588624862,8.569999694824219,27,5,\"[(0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5), (7, 6, 4, 3), (18, 17, 16, 15)]\"\n\"[-1.11089220e+00 -7.76442960e-01 2.43491338e+00 1.23860566e+01\n -1.23746922e+01 1.82846194e+01 8.34343636e-02 -1.49575524e-02\n 6.94082986e-01 3.05778963e+00 -2.33187491e+00 3.01896893e+00\n -1.00773481e+00]\",-124.78823526087052,78450,500,Maximum number of iterations has been exceeded.,False,415,4.668068222353928,2v2q,92.38776330484319,4.150000095367432,30,7,\"[(9, 8, 7, 1), (9, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 19, 20), (21, 20, 19, 17), (22, 21, 20, 19)]\"\n\"[ 1.37772385 1.26858651 1.24944569 7.04490675 37.3902481 11.63558618\n 2.25406942 0.10396952]\",[-270.98296133],11080,61,Optimization terminated successfully.,True,326,1.089937377954431,4l0t,260.5562447124858,7.179999828338623,20,2,\"[(12, 11, 10, 0), (13, 14, 15, 16)]\"\n\"[-2.6273016 2.679762 0.38602326 55.46108397 56.9661069 51.06409154\n 0.82564179 -0.86743367 -2.91649663 1.93290269 -1.27051838 1.86882155\n -0.14331081 0.18633094 1.03942759 -1.03755251 0.31946838 0.76419725\n -0.99427642 -0.78531687 -1.65101187 -2.30786452 -0.63920806 -0.23403942\n -1.75024453 -2.88937111 0.41107864]\",[-53.72054965],82618,500,Maximum number of iterations has been exceeded.,False,626,5.2948231317107615,5t6p,92.96997585143532,6.059999942779541,46,21,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 15, 16), (10, 15, 16, 17), (15, 16, 17, 18), (15, 16, 19, 20), (27, 26, 17, 16), (16, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (26, 27, 28, 29), (27, 28, 33, 34), (28, 33, 34, 35), (33, 34, 35, 36), (39, 38, 35, 34), (38, 39, 40, 41)]\"\n\"[-1.63304507e+00 2.48507497e-01 1.02139311e+00 2.72618383e+01\n 3.32480344e+01 1.71117344e+01 1.72315086e+00 4.14726351e-01\n -2.57643450e+00 -5.90148537e-01 1.63356464e+00 4.78884005e-01\n -2.06161730e+00 4.84585136e-01 -1.64962353e+00 1.82198592e+00\n -1.14232475e-01 5.20647867e-02 1.32685798e-03 -2.86690305e+00]\",[-146.88750396],83562,500,Maximum number of iterations has been exceeded.,False,666,5.290327400317942,2cmb,165.61787403246854,7.190000057220459,48,14,\"[(41, 42, 1, 0), (3, 4, 6, 7), (4, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (19, 25, 10, 9), (10, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 16), (37, 17, 14, 13), (36, 37, 17, 14), (20, 19, 25, 10), (35, 34, 26, 27)]\"\n\"[ -1.47717798 -2.76648101 -0.86156877 -26.0787742 -14.70924039\n 35.73909857 1.99786181 -0.57232657 -1.59577978 1.86291249\n -1.43840835 -0.0870128 0.12485807 2.85562593 -2.38389024]\",[-47.95967102],76350,500,Maximum number of iterations has been exceeded.,False,243,2.660949671456004,5tzy,66.20915961288554,8.699999809265137,39,9,\"[(24, 25, 0, 30), (25, 0, 30, 32), (4, 2, 1, 10), (2, 1, 10, 8), (3, 4, 2, 1), (13, 12, 2, 1), (19, 18, 17, 9), (25, 24, 23, 31), (20, 36, 23, 24)]\"\n\"[ 0.90018099 3.11432312 2.03928535 10.40692825 -12.49785273\n 17.03198413 -0.80101318 -0.37591067 0.24272526]\",[-109.77008769],38296,241,Optimization terminated successfully.,True,392,1.495232567248185,3qup,34.5273151972862,6.320000171661377,31,3,\"[(15, 12, 7, 2), (17, 13, 8, 3), (19, 15, 12, 7)]\"\n\"[ 0.970008 -0.14235257 -3.13418869 13.80092922 22.55074795 3.68242084\n 1.19544699 2.31168328 -0.98719881 0.79282311]\",[-120.71628479],17454,107,Optimization terminated successfully.,True,390,1.3770475202326125,5anw,109.56730289209275,8.520000457763672,23,4,\"[(0, 1, 2, 3), (6, 5, 1, 0), (7, 6, 5, 1), (13, 12, 9, 8)]\"\n\"[ 2.45539648 1.56938284 2.92090845 0.72106525 48.34411612 71.68179135\n -0.26573683 -0.4072655 -0.13229847 0.47087692]\",[-65.06445753],18894,121,Optimization terminated successfully.,True,298,1.5298169457875792,3rme,39.11690676715847,4.659999847412109,18,4,\"[(5, 1, 3, 0), (3, 1, 5, 2), (9, 7, 5, 1), (4, 12, 6, 13)]\"\n\"[-0.93220783 -1.47925908 3.02299273 10.86632241 24.06308265 42.55709187\n -0.41857827 -0.98927453 -0.92815326 -0.91408696 0.85848617 2.09662219\n 1.23505365 0.94175065 2.76364622]\",[-208.28724774],76558,500,Maximum number of iterations has been exceeded.,False,659,1.3914971179697784,1xh8,214.69677239458042,5.769999980926514,42,9,\"[(3, 2, 1, 0), (9, 8, 1, 0), (10, 9, 8, 1), (9, 15, 16, 17), (15, 16, 17, 18), (20, 19, 17, 16), (21, 24, 25, 26), (28, 27, 25, 24), (35, 34, 32, 31)]\"\n\"[ 2.23580537e-01 -1.56172495e+00 -5.80389811e-01 2.87565220e+01\n 3.02093489e+01 -5.02771926e+00 -6.67578962e-01 -1.03858559e+00\n 2.07448519e+00 2.54846038e-01 2.60593502e+00 -2.03419900e+00\n 1.05765310e-01 -7.79801175e-02 3.86966682e-01 1.25494585e+00\n -2.71289120e+00 -2.12052476e+00 -7.55101109e-01 -4.19280422e-01\n -1.64374630e-01 -2.56661787e-01 -7.65962688e-01 -8.89331499e-01\n 1.63059193e+00 -9.67802151e-01 4.27450019e-02 -1.49623459e+00\n -6.38330801e-03 -1.37659226e+00]\",[-87.61153742],76359,500,Maximum number of iterations has been exceeded.,False,681,4.085392501186877,4omd,108.05066480760524,9.010000228881836,49,24,\"[(1, 0, 6, 7), (0, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (9, 10, 13, 14), (10, 11, 20, 21), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (11, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 27, 28), (22, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 38, 39), (28, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (40, 39, 38, 29), (41, 40, 39, 38), (42, 43, 44, 45)]\"\n\"[ 1.44128998 -1.43506316 0.26876905 17.19399579 -13.17002778\n -15.5036 1.57277199 1.37944014 -0.53902648 -1.78988287\n 2.24047728 -0.88172616]\",[-79.35447558],79079,500,Maximum number of iterations has been exceeded.,False,298,1.7403943329276363,6g0w,88.73066592643374,5.28000020980835,31,6,\"[(15, 3, 0, 1), (19, 22, 2, 23), (5, 23, 2, 22), (5, 27, 6, 29), (7, 29, 6, 27), (13, 12, 9, 8)]\"\n\"[-2.14510778 -0.44873696 0.47061749 17.74965013 1.56507674 11.68985892\n 0.0299152 -0.23739718 0.90370707 -1.26607312 1.63654045 -1.44487286\n -0.24339082 -0.99932469 1.20570045]\",[-65.92955532],76238,500,Maximum number of iterations has been exceeded.,False,664,3.082053306715209,6gl8,58.25298057322213,8.609999656677246,53,9,\"[(13, 12, 6, 5), (4, 8, 9, 10), (40, 11, 9, 8), (42, 40, 11, 9), (47, 41, 11, 9), (21, 20, 14, 12), (23, 21, 20, 14), (34, 32, 23, 21), (35, 34, 32, 23)]\"\n\"[-1.96132898e+00 1.46457878e+00 1.23367954e+00 4.34485418e+01\n -1.80150308e+00 3.18158453e+01 -2.77631708e+00 -2.92569099e+00\n -2.54386269e-02 -2.25532225e+00 -9.97241505e-01 -1.21238877e-01\n 1.98570992e+00 1.14647254e-01]\",[-241.01306461],18057,107,Optimization terminated successfully.,True,518,1.010450199298664,1o36,186.2955339617049,5.960000038146973,36,8,\"[(1, 0, 6, 7), (13, 12, 11, 9), (13, 14, 15, 16), (14, 15, 16, 17), (14, 15, 19, 20), (15, 19, 20, 21), (28, 27, 24, 23), (27, 28, 33, 34)]\"\n\"[ 1.60205329 -1.49815153 1.43855662 38.49721695 -53.08665935\n -16.6973127 -1.21298978 -1.644461 -0.47684004 0.14632997\n -1.95657372 -1.76856587 1.61959003 -1.01712558 -0.93168876\n -1.8633389 -0.1556434 -1.4999834 -1.10524915 0.13605162\n 1.65539435 1.29271329 -0.76726045 0.75856942 -1.72705776\n 1.86082804 -1.78505618 -1.72914551 -1.27851034]\",[-58.56641565],90624,500,Maximum number of iterations has been exceeded.,False,666,4.922527923303193,4mdt,111.22193453544946,5.0,52,23,\"[(34, 4, 15, 28), (6, 46, 4, 15), (5, 6, 46, 4), (8, 10, 16, 48), (7, 11, 17, 42), (1, 30, 12, 9), (5, 13, 47, 50), (4, 15, 28, 27), (10, 16, 48, 51), (14, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (25, 26, 27, 28), (26, 27, 28, 15), (13, 47, 50, 35), (16, 48, 51, 36), (51, 49, 50, 35), (50, 49, 51, 36)]\"\n\"[ 0.77416188 -0.23709548 -1.32192387 -27.02765293 15.28063395\n 5.42843694 -0.1421707 1.68766336 -2.74829451]\",[-70.32609557],13177,78,Optimization terminated successfully.,True,177,0.777595433025022,5n53,47.34652366855319,2.549999952316284,13,3,\"[(1, 2, 10, 3), (7, 6, 4, 5), (0, 7, 6, 4)]\"\n\"[ 1.97894747e-01 -2.92707453e-01 -5.17050952e-01 -8.33317962e+00\n -2.23121066e+01 2.34012627e+01 -7.88089376e-03 -3.12828220e+00\n -1.13127583e+00 -2.12131769e+00 -2.26277633e+00]\",[-236.72757068],13352,79,Optimization terminated successfully.,True,311,1.322708960650298,6gue,221.4263832899416,8.399999618530273,26,5,\"[(3, 2, 0, 13), (7, 14, 6, 12), (6, 14, 7, 8), (1, 9, 17, 10), (0, 22, 23, 24)]\"\n\"[ 1.59311286 -1.75368944 0.47879313 10.69733817 -13.94149038\n -2.23444937 -2.25575811 -1.99140268 -1.03173477 -2.18471645\n -0.86879774]\",[-53.08310774],41188,255,Optimization terminated successfully.,True,314,1.7331292824053555,5afv,25.761946050012416,5.590000152587891,20,5,\"[(7, 12, 0, 19), (14, 19, 0, 12), (16, 18, 2, 1), (13, 14, 19, 0), (2, 18, 16, 15)]\"\n[-1.79321639 2.36799726 1.00243488 28.34260972 44.30731815 16.48023413],[-64.68086469],7328,43,Optimization terminated successfully.,True,210,9.96080337270915e-06,3kr2,51.10127483711159,5.139999866485596,11,0,[]\n\"[ 1.48353081 0.4075049 1.00610488 -4.83455812 -35.61683605\n 3.90673193 0.80229084 -0.04950186 -0.99820942 -1.87951535\n -0.86953906 1.84134066]\",[-200.80001531],34619,214,Optimization terminated successfully.,True,403,2.7410834024047874,4deb,161.03069864300696,6.429999828338623,27,6,\"[(5, 10, 0, 11), (1, 11, 0, 10), (1, 12, 3, 15), (16, 15, 3, 12), (6, 7, 22, 4), (18, 19, 21, 24)]\"\n\"[ 1.43329226 1.54161162 -0.11607585 -4.15537683 19.15914067 -7.61763888\n -2.85351275 0.73249641 -1.96781052 1.13402515 1.06471058 2.27790656\n -2.79622053 2.63334032 1.15868898 -0.38766767]\",-109.66480979408269,80517,500,Maximum number of iterations has been exceeded.,False,365,2.8971317052094445,6gji,77.93425863775968,3.869999885559082,25,10,\"[(0, 1, 2, 3), (0, 1, 5, 6), (1, 2, 3, 4), (1, 5, 6, 7), (5, 6, 7, 8), (6, 7, 9, 10), (11, 10, 9, 7), (18, 17, 9, 7), (12, 11, 10, 9), (19, 18, 17, 9)]\"\n\"[ -0.22627785 0.77886459 -2.56746343 16.79055112 -73.70197914\n 90.46792517 -0.2886067 0.77121347 0.1759792 -1.98419049\n -0.26126601 -0.8689449 0.95386485 -2.80371347 -1.85992448]\",[-106.49870365],49810,322,Optimization terminated successfully.,True,506,2.223717230842001,5csx,88.64129652546336,8.220000267028809,40,9,\"[(1, 0, 13, 12), (2, 3, 14, 6), (21, 20, 8, 10), (17, 18, 11, 26), (16, 15, 14, 3), (29, 30, 31, 32), (30, 31, 32, 33), (31, 32, 35, 36), (32, 35, 36, 37)]\"\n\"[-2.13931014 2.86523409 -0.44553303 5.70109618 -5.53484177 10.5164538\n -0.06640606 -1.62788835 -0.43211917 0.24090359 -0.33837817 0.07438707\n -3.0329475 -0.94589436 1.74936744 2.63027975 0.08707562 1.84280404\n 0.91026384]\",[-89.39573672],77792,500,Maximum number of iterations has been exceeded.,False,488,4.5000731240598215,1t7j,199.66986912759393,8.699999809265137,35,13,\"[(28, 2, 25, 4), (3, 28, 2, 25), (0, 3, 28, 2), (6, 4, 5, 13), (7, 6, 4, 5), (5, 4, 25, 2), (4, 5, 13, 26), (8, 7, 6, 4), (5, 13, 26, 14), (26, 14, 15, 22), (15, 14, 26, 13), (17, 16, 34, 26), (16, 34, 26, 13)]\"\n\"[ 2.83327401 0.13116708 -0.4720734 -21.35166885 11.01256822\n -4.30974884 0.68468331]\",[-68.35575577],10166,62,Optimization terminated successfully.,True,183,0.019518107736794296,4up5,56.211015780824624,2.5999999046325684,12,1,\"[(3, 0, 1, 2)]\"\n\"[-2.63472562e+00 1.14935767e+00 -3.94309725e-01 4.66784700e+02\n -1.66796770e+01 1.26150629e+02 2.25090743e+00 1.33326586e+00\n -4.54874369e-01 1.12090544e+00 1.87171596e+00 4.69492104e-01]\",[-132.22193153],79209,500,Maximum number of iterations has been exceeded.,False,522,2.1728352734204304,5tw3,154.59484948982828,8.699999809265137,32,6,\"[(28, 21, 0, 1), (19, 15, 14, 22), (29, 22, 14, 15), (12, 19, 15, 14), (27, 28, 21, 0), (13, 29, 22, 14)]\"\n\"[ 1.199843 -2.08891391 -2.00143592 -45.76482045 79.94064444\n 159.5474636 0.22453028 -1.94832309 2.88568072 0.2365497\n -1.23590967 0.16336195]\",[-175.46143052],47437,295,Optimization terminated successfully.,True,394,1.328119400368171,6g0z,171.38529631641288,5.320000171661377,28,6,\"[(1, 0, 4, 5), (0, 4, 5, 6), (4, 5, 8, 9), (10, 9, 8, 5), (11, 10, 9, 8), (18, 17, 16, 11)]\"\n\"[-4.45725668e-02 -2.49304107e+00 -3.16357171e-01 1.20118702e+01\n 5.89006564e+01 6.71695878e+00 5.86070416e-01 -1.00604682e+00\n 3.02668830e-01 -2.02853876e+00]\",[-42.32764679],23902,156,Optimization terminated successfully.,True,212,1.1785147796297732,4lil,28.93985265448964,4.900000095367432,13,4,\"[(1, 0, 3, 5), (0, 3, 5, 6), (3, 5, 8, 9), (5, 8, 9, 10)]\"\n\"[-0.59942874 2.92374276 1.08145486 12.82631314 18.22793059 44.55669695\n 0.20616401 -2.85110821 2.55088731 1.30507718 -0.87479794 -1.45636683\n 3.02249754 0.29496574 0.22347278 -1.16914142]\",[-76.25611326],81146,500,Maximum number of iterations has been exceeded.,False,433,2.8891996044650243,1kpm,57.27324524991054,5.800000190734863,31,10,\"[(15, 9, 16, 17), (9, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 21), (20, 19, 21, 22), (19, 21, 22, 23), (22, 23, 24, 0), (0, 24, 25, 26), (25, 26, 27, 28), (26, 27, 28, 30)]\"\n\"[-3.15744178e-01 1.47253022e+00 1.35489052e+00 6.27823661e+00\n -3.37702371e+01 -6.02860638e+00 -1.04759942e+00 -1.75858231e+00\n 2.14251151e+00 1.65861226e+00 -2.66086256e+00 1.65372855e+00\n 6.81341611e-01 2.93653832e+00 -2.69658604e+00 -1.61661115e+00\n 2.26224236e+00 -8.11738081e-01 2.70111770e-02 -3.06841037e-01\n -2.39904665e+00 -2.23661998e+00 1.90318866e-01 -1.84482945e+00\n 3.01013647e+00 9.15774294e-01 1.40804339e+00 -1.96468784e+00\n -2.78740275e+00 6.57563620e-01 3.57993380e-01 1.42765795e+00\n 1.72580310e+00 2.10728762e+00 -3.24352940e-01 9.11436545e-01\n 1.58729798e-01 4.41884280e-01 2.11247266e+00 -6.20726275e-01\n 1.50674112e+00 5.36007530e-02 -4.74827981e-01 2.69204656e+00\n 2.33775216e+00 1.82873966e+00 1.30199141e+00 1.75720958e-01\n -9.99520814e-01 1.04620767e+00 2.05872702e+00 4.22914461e-01\n 2.96158592e+00 5.78349262e-01 -1.42688784e+00 2.94872424e-01\n 1.55675652e-01 -1.58309254e-01 1.72440391e-01 2.60289465e+00\n -1.90658245e+00 -2.59539555e+00 2.13539576e-01]\",-82.64481751564004,96033,500,Maximum number of iterations has been exceeded.,False,906,9.177442729956352,4w5a,81.96544538137437,3.7699999809265137,94,57,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 32, 33), (24, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (25, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 41, 42), (33, 36, 37, 38), (36, 37, 38, 39), (34, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 64, 65), (54, 57, 58, 59), (57, 58, 59, 60), (58, 59, 60, 61), (55, 64, 65, 66), (64, 65, 66, 67), (64, 65, 71, 72), (65, 66, 67, 68), (66, 67, 68, 69), (67, 68, 69, 70), (68, 69, 70, 73), (65, 71, 76, 77), (71, 76, 77, 78), (76, 77, 78, 79), (76, 77, 80, 81), (77, 78, 79, 82), (78, 79, 82, 83), (77, 80, 86, 87), (80, 86, 87, 88), (86, 87, 88, 89), (86, 87, 90, 91)]\"\n\"[-1.33763713e-01 5.42066469e-01 -2.49205525e+00 5.28448854e+01\n 2.15946428e+01 1.33864357e+02 7.95912880e-01 -1.75383917e+00\n 1.97712462e+00 2.75766616e+00 2.15374605e+00 2.13382127e+00\n -1.02830819e+00 -2.00613398e+00 1.89076135e+00 1.74453140e+00\n 1.86532194e+00 -2.37313149e+00 -1.07002123e+00 8.87943333e-01\n 1.20913614e+00 2.26022281e+00 1.70911241e+00 1.92849634e+00\n 2.54637778e+00 -1.86919985e+00 1.95359326e+00 -1.12971994e+00\n 1.48529542e+00 -8.87172784e-01 -6.74317136e-01 -1.38752636e+00]\",[-80.84206365],88476,500,Maximum number of iterations has been exceeded.,False,865,5.559113288284248,5lgs,93.94294714504424,7.059999942779541,60,26,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (11, 10, 7, 6), (10, 11, 12, 13), (11, 12, 17, 18), (12, 17, 18, 19), (17, 18, 19, 20), (17, 18, 21, 22), (29, 28, 19, 18), (18, 21, 22, 23), (21, 22, 23, 24), (22, 23, 24, 25), (28, 29, 30, 31), (36, 35, 30, 29), (35, 36, 37, 38), (36, 37, 42, 43), (37, 42, 43, 44), (42, 43, 44, 45), (47, 46, 43, 42), (43, 44, 53, 54), (48, 47, 46, 43), (44, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58)]\"\n\"[-1.8289974 1.25845255 1.38836167 4.59608456 -9.720721 -9.71269809\n -1.9035769 2.22971626 0.36806529 -1.69862208 -1.11385101 1.51480714\n -0.89979121 -0.48426768 2.15529023 -0.40145701 0.5098636 -2.52895452\n 2.0174284 0.84252938 -0.07488456 -0.29781043 -1.25938057 -1.3692163\n -0.95286579 -0.95061839 1.96677566 0.25218647 1.0444891 1.34154719\n -2.04450807 0.85101914 0.8357491 -2.50977469 1.18802098 -1.62130802\n 0.35588626 2.29027766 -1.83226113 1.13238217 0.03613456 -1.54520885\n -0.64593932 -0.32409504 -0.60018203 0.67993934 1.82852082 1.16101322\n -2.52116523 -0.64452197 -1.04393211]\",[-71.07739899],79669,500,Maximum number of iterations has been exceeded.,False,995,7.4964820253647595,2xl3,29.95382082973365,5.25,77,45,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 6), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 17, 18), (9, 12, 13, 14), (12, 13, 14, 15), (10, 17, 18, 19), (17, 18, 19, 20), (17, 18, 21, 22), (18, 19, 26, 27), (18, 21, 22, 23), (21, 22, 23, 24), (19, 26, 27, 28), (26, 27, 28, 29), (26, 27, 30, 31), (27, 28, 33, 34), (28, 33, 34, 35), (33, 34, 35, 36), (33, 34, 37, 38), (34, 35, 41, 42), (34, 37, 38, 39), (35, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 55, 56), (50, 55, 56, 57), (55, 56, 57, 58), (55, 56, 59, 60), (56, 57, 61, 62), (57, 61, 62, 63), (61, 62, 63, 64), (61, 62, 65, 66), (62, 63, 68, 69), (63, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 72, 73, 74)]\"\n\"[-1.62083145 -0.1813421 2.67565448 15.74634062 16.52844865 63.20062534\n 3.063488 1.90473173 1.36992466 -0.6495567 -1.89431416 0.31529953\n 1.60811703]\",[-233.93221123],23956,147,Optimization terminated successfully.,True,425,1.5988870716351877,3v5t,211.45912070100508,8.220000267028809,31,7,\"[(0, 1, 3, 4), (1, 3, 4, 5), (8, 7, 3, 1), (9, 8, 7, 3), (19, 18, 17, 9), (23, 27, 28, 29), (27, 28, 29, 30)]\"\n\"[ -1.12447367 -1.26210284 2.2858126 1.32509232 -12.17637472\n 20.25058014 0.27440719 1.68631657 -1.39182672 -1.61161102\n -2.5403323 1.12682949 -2.61420884 1.15226063 1.09678968\n 2.34785725 2.51243246 0.18017266 0.35599009 1.15972932\n 1.82822668 1.97362696 0.63256122 2.05733832 1.13338576\n -0.46913748 -1.6386103 1.20954811 0.12439224 -0.16205355\n 0.47453473 0.95445247 -2.96584344 1.38240122 1.15531565\n -0.74723538 2.15025142 1.6007862 -0.04545172 -1.80930646\n 0.42929365 1.86238041]\",[-68.51759452],87264,500,Maximum number of iterations has been exceeded.,False,1159,5.66287682512859,2r5d,46.247857006336105,10.149999618530273,122,36,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 9, 10), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (2, 9, 10, 11), (9, 10, 11, 12), (10, 11, 13, 14), (11, 13, 14, 15), (13, 14, 16, 17), (19, 18, 16, 14), (20, 19, 18, 16), (24, 25, 28, 29), (25, 28, 29, 30), (37, 36, 33, 32), (38, 37, 36, 33), (51, 52, 55, 56), (52, 55, 56, 57), (55, 56, 57, 58), (63, 62, 61, 60), (64, 63, 62, 61), (74, 75, 78, 79), (75, 78, 79, 80), (78, 79, 80, 81), (86, 85, 84, 83), (87, 86, 85, 84), (97, 98, 99, 100), (98, 99, 100, 101), (105, 106, 107, 108), (106, 107, 111, 112), (107, 111, 112, 113), (111, 112, 114, 115), (112, 114, 116, 117), (114, 116, 117, 118), (116, 117, 119, 120)]\"\n\"[-1.58955058 -1.21915494 3.12483164 7.63246803 2.31775208 18.24591341\n 2.2820515 1.37118972 -2.62237903]\",[-157.83284105],14046,81,Optimization terminated successfully.,True,278,0.5934749348250478,3c4f,155.69369382018124,5.71999979019165,18,3,\"[(3, 2, 1, 0), (9, 8, 7, 5), (10, 9, 8, 7)]\"\n\"[ 1.83438945e+00 -2.47547694e+00 3.04708479e-01 3.60300643e+01\n 7.57343272e+01 2.90663027e+01 -2.26752863e+00 2.34067591e+00\n 2.79176609e+00 1.03922280e+00 5.48964974e-01 -2.55609999e-01\n -2.17328364e-01 -7.14181317e-02 -2.39090171e+00 2.66167751e+00]\",[-194.49655783],28940,165,Optimization terminated successfully.,True,405,2.407407255470535,4wkp,174.92913325002567,9.550000190734863,26,10,\"[(2, 1, 0, 15), (1, 0, 15, 16), (21, 20, 14, 4), (0, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 23), (18, 19, 23, 24), (6, 21, 20, 14), (19, 23, 24, 25)]\"\n\"[ -0.35071121 -0.6431289 -0.41518677 15.0654336 -11.17952289\n 3.33635004 2.34039723 -0.76555461]\",[-104.56678293],10486,61,Optimization terminated successfully.,True,254,0.9172185196475261,4n1t,66.00137540135194,9.100000381469727,17,2,\"[(6, 5, 4, 0), (0, 13, 14, 15)]\"\n\"[-0.88957406 -0.94573156 0.74116449 -6.28888031 41.36724717 2.08086104\n 0.84645795 -2.92134131 -1.34231927 2.01070117 1.57736774 1.46343063\n -2.64103342 1.31062134 -2.31039838]\",-104.18993878599359,75486,500,Maximum number of iterations has been exceeded.,False,408,3.3377872935916324,4cj4,78.2804647707555,3.359999895095825,28,9,\"[(2, 6, 11, 22), (8, 7, 12, 23), (0, 8, 16, 20), (6, 11, 22, 18), (8, 16, 20, 17), (20, 17, 19, 14), (19, 17, 20, 16), (22, 18, 20, 16), (20, 18, 22, 11)]\"\n\"[-1.39574809 -0.27525713 -0.19535644 8.40227064 10.28978481 -5.60939473\n -0.42036081 0.08229691 3.08249684 1.06878561]\",[-41.79212423],29390,192,Optimization terminated successfully.,True,440,3.2965039917616275,2kdh,24.78604556720822,2.9600000381469727,33,4,\"[(15, 8, 7, 6), (8, 15, 25, 16), (18, 17, 16, 25), (15, 25, 16, 17)]\"\n\"[-5.81269742e-03 1.56004610e+00 -2.87729872e+00 5.31255924e+01\n 1.77685244e+01 1.63391540e+01 3.51103206e-02 1.75848469e+00\n -6.81779377e-01 2.02315148e+00 -1.17994694e-01 -1.34765955e-01\n -1.79512639e-01 1.43158566e+00 3.15968384e-01 -1.68678924e+00\n -1.03831592e+00]\",[-107.85425368],79245,500,Maximum number of iterations has been exceeded.,False,566,4.935704930688623,3v7s,94.92195116731278,7.050000190734863,34,11,\"[(9, 7, 8, 12), (8, 7, 9, 13), (25, 12, 8, 7), (29, 13, 9, 7), (14, 10, 11, 15), (30, 14, 10, 11), (31, 15, 11, 10), (6, 25, 12, 8), (22, 29, 13, 9), (6, 30, 14, 10), (26, 31, 15, 11)]\"\n\"[-1.56860785 -1.66471975 -0.66955204 -6.07420252 1.77200987 10.49670456\n -2.27641946 1.39637239 3.07731446 0.21092777 0.78996207 2.84461475\n 0.49520048 -2.55003608 2.72635962 -2.31631639 -0.332039 0.50662411\n 2.2446318 2.33865974]\",[-75.01301259],81567,500,Maximum number of iterations has been exceeded.,False,434,2.4714255740227618,5jf1,99.77585217930249,7.190000057220459,27,14,\"[(5, 0, 1, 2), (1, 0, 5, 6), (0, 1, 3, 4), (0, 5, 6, 7), (0, 5, 8, 9), (5, 6, 13, 14), (5, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (6, 13, 14, 15), (13, 14, 15, 16), (13, 14, 18, 19), (21, 20, 18, 14), (20, 21, 25, 26)]\"\n\"[-0.15418487 2.27147179 1.92108342 29.60564 -9.97725346 32.92554681\n 2.1928575 0.95620872 -1.61765872 1.43978037 0.25781763 -0.79272841\n -1.11649359 1.8852849 0.54059134 0.17242597 -1.85219102 2.75297112\n -0.36810922 -2.30235001 -1.80147506 -2.09886184 1.67946083 0.42086247\n -1.77186871 -1.10714021 -1.55599006 -2.09147797 2.2384658 1.62608677\n -0.25315754 -2.99576362 0.36075539 3.03688886 1.04939479 2.56014998\n 0.27530629 -2.099779 1.10952614 2.12911878 1.97031999 -0.70906227\n -2.25820382 -1.61352516 -0.18755607 1.63308087 2.12096474 -0.14645754\n 0.71280345 -0.91446906 -2.40685176 -1.45517922 0.1451707 ]\",[-89.79387288],82629,500,Maximum number of iterations has been exceeded.,False,922,5.914928083701673,4erz,101.30322250745009,7.059999942779541,89,47,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (14, 13, 7, 6), (6, 9, 10, 11), (13, 14, 15, 16), (14, 15, 20, 21), (15, 20, 21, 22), (20, 21, 22, 23), (25, 24, 21, 20), (21, 22, 30, 31), (26, 25, 24, 21), (22, 30, 31, 32), (30, 31, 32, 33), (31, 32, 34, 35), (32, 34, 35, 36), (34, 35, 36, 37), (35, 36, 39, 40), (36, 39, 40, 41), (39, 40, 41, 42), (40, 41, 44, 45), (41, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49), (45, 46, 55, 56), (45, 48, 49, 50), (48, 49, 50, 51), (49, 50, 51, 52), (46, 55, 56, 57), (55, 56, 57, 58), (56, 57, 60, 61), (57, 60, 61, 62), (60, 61, 62, 63), (60, 61, 64, 65), (61, 62, 69, 70), (61, 64, 65, 66), (64, 65, 66, 67), (62, 69, 70, 71), (69, 70, 71, 72), (69, 70, 73, 74), (70, 71, 76, 77), (71, 76, 77, 78), (76, 77, 78, 79), (81, 80, 77, 76), (82, 81, 80, 77)]\"\n\"[ 1.29471515 -0.40534666 -1.46332139 4.87893621 43.19069068 12.52958707\n -0.11454117]\",-80.53478979706136,9716,61,Optimization terminated successfully.,True,183,0.10636599638006068,3kce,65.93951237470738,4.800000190734863,13,1,\"[(1, 0, 5, 7)]\"\n\"[ 0.82457611 -0.22806486 2.64183386 -8.90897905 -28.59390246\n -36.17794684 2.87865053 -0.459526 0.98754044 -0.36809429\n -0.12869178 -0.05624813 2.30860769]\",[-227.99981335],36938,226,Optimization terminated successfully.,True,445,1.5562776179874034,4bbf,207.89379973928914,8.65999984741211,33,7,\"[(3, 2, 1, 0), (8, 7, 1, 0), (9, 8, 7, 1), (15, 14, 12, 11), (21, 20, 16, 15), (22, 21, 20, 16), (28, 27, 24, 23)]\"\n[-2.40019774 -2.18018428 -2.27275114 92.11954222 68.5990721 -4.79697963],[-41.87492319],10686,68,Optimization terminated successfully.,True,205,0.0002768098071312014,2a3a,30.20973152069512,2.819999933242798,13,0,[]\n\"[-2.77575520e+00 -4.80015125e-01 2.20274176e+00 6.66690293e+01\n 3.26124849e+01 -7.23655297e-01 -6.49900894e-02 -1.17792367e+00\n -7.73068555e-01 8.74061615e-01]\",[-149.05910252],28783,187,Optimization terminated successfully.,True,414,1.3110190759188565,5ix0,133.49137396955246,6.28000020980835,25,4,\"[(6, 19, 3, 2), (6, 7, 20, 8), (7, 20, 8, 9), (10, 21, 8, 9)]\"\n\"[ 2.71696725 0.26609897 -1.77740256 25.77783702 18.4834222 63.19186343\n 0.12301805 -0.08521859 2.4160377 -1.20067877 -2.43483742 -0.63803943]\",[-113.37911432],16770,96,Optimization terminated successfully.,True,236,1.2954839616110714,1f8c,103.45877586597138,7.400000095367432,20,6,\"[(13, 3, 0, 2), (5, 7, 8, 9), (7, 8, 9, 11), (7, 12, 14, 16), (12, 14, 16, 18), (14, 16, 18, 19)]\"\n\"[-1.36658883e+00 2.69913159e+00 2.50148969e+00 -2.10422680e+00\n 4.09228125e+01 2.66733967e+01 1.15424713e+00 -1.52398093e+00\n 4.17957752e-01 -6.11682086e-01 1.76428926e+00 3.80490457e-02\n -2.44561393e+00 -2.04907043e+00 -2.39577551e+00]\",-128.52340673048744,75486,500,Maximum number of iterations has been exceeded.,False,670,3.815189961768665,1t31,128.45205570389783,8.640000343322754,49,9,\"[(2, 1, 5, 7), (1, 5, 7, 6), (22, 23, 5, 1), (14, 15, 7, 5), (15, 16, 19, 18), (16, 19, 30, 31), (35, 36, 30, 19), (32, 33, 38, 0), (40, 41, 38, 0)]\"\n\"[ 1.62065888 -2.41013683 -2.96344045 43.09305412 32.27309283 75.72150858\n -0.22454356 -0.77636498 2.55671192 1.08083482 -0.28816178 1.17435029\n -2.56290863 0.07922918 1.52775689 -1.7645848 ]\",[-75.27370701],83101,500,Maximum number of iterations has been exceeded.,False,300,2.3256228696035515,4cqf,74.70838685759074,4.300000190734863,19,10,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (13, 12, 10, 9), (14, 13, 12, 10)]\"\n\"[ 0.69435952 -2.50302203 1.59835195 116.89936261 -5.58377702\n -53.07028847 -3.02233146 0.68314613 1.76079251]\",[-128.9119239],9794,57,Optimization terminated successfully.,True,304,1.1853818390122335,5un9,112.57620190960009,7.679999828338623,16,3,\"[(3, 4, 5, 13), (8, 6, 12, 15), (6, 12, 15, 7)]\"\n\"[ -1.61622403 -0.79697627 -2.75816293 -16.6291341 -4.95391858\n 15.34010554 1.9449584 1.50548488]\",-91.47909905374888,20861,135,Optimization terminated successfully.,True,639,3.9729518641640564,5ejl,87.06364115560426,6.619999885559082,46,2,\"[(13, 12, 11, 6), (36, 35, 34, 29)]\"\n\"[ 2.69023757 -1.30830008 -1.27495252 8.85013213 24.6059861 4.83104941\n -1.08609593 -2.25707387 -0.72924821 -0.06578169 -0.13023742 -0.99950185\n 2.51318887 -3.01403517 0.21053945 -0.58013726 2.79497322 1.36544019\n -2.27765544 3.08320132 1.57226896 2.01705482 -1.1688567 -2.17590509]\",[-182.38765804],86293,500,Maximum number of iterations has been exceeded.,False,680,6.246848448145728,2wkz,305.1092873574039,8.770000457763672,51,18,\"[(35, 36, 3, 2), (10, 7, 8, 9), (12, 11, 7, 8), (8, 7, 18, 19), (7, 8, 9, 31), (8, 9, 31, 32), (13, 12, 11, 7), (20, 19, 18, 7), (21, 20, 19, 18), (33, 32, 31, 9), (9, 31, 39, 40), (34, 33, 32, 31), (31, 39, 40, 41), (39, 40, 41, 42), (40, 41, 42, 43), (40, 41, 47, 0), (41, 42, 43, 44), (42, 43, 44, 45)]\"\n\"[ 0.44489306 1.91708565 1.96449882 -53.35973638 0.79195881\n -24.09151656 0.4985181 -0.51102554 -0.65619983 -1.8650062\n -0.51678793 -2.69018976 0.49687094 1.56663204 0.28638776\n 0.31710612 -1.82595262]\",[-155.21041923],33678,209,Optimization terminated successfully.,True,402,2.512268456049428,3w2o,130.5858146940275,5.079999923706055,38,11,\"[(6, 1, 5, 4), (5, 1, 6, 33), (32, 4, 5, 1), (2, 32, 4, 5), (1, 6, 34, 35), (27, 26, 7, 9), (20, 21, 8, 22), (12, 11, 13, 15), (8, 21, 20, 10), (0, 27, 26, 7), (6, 34, 35, 14)]\"\n\"[-1.99178893 0.19419892 2.15195239 3.06648097 31.12479102 6.52066601\n -1.0317573 ]\",[-103.81570937],16762,104,Optimization terminated successfully.,True,231,0.954886766767191,1jvp,78.73854884073808,5.800000190734863,18,1,\"[(6, 5, 4, 0)]\"\n\"[ 2.08139048 0.35506671 -0.97423521 51.44782434 94.31974128 35.02449473\n -2.95179884 -2.55830279]\",[-72.82102896],11004,65,Optimization terminated successfully.,True,222,1.3834398325267752,1nhg,57.54382142408009,7.300000190734863,17,2,\"[(9, 12, 3, 2), (3, 12, 9, 8)]\"\n\"[ -1.0703701 -1.8200134 -2.36878358 -7.67345046 -26.5108884\n -53.50937861 -2.85086454 0.08505519 -1.17319424 -1.14430653\n -2.44384833 2.91129195 -2.71198224 -0.81087554]\",[-68.3887766],79029,500,Maximum number of iterations has been exceeded.,False,436,2.414510323030577,3lw0,81.1994958582057,6.400000095367432,35,8,\"[(0, 6, 9, 12), (6, 9, 12, 13), (9, 12, 13, 14), (19, 14, 13, 12), (17, 19, 14, 13), (15, 16, 21, 22), (23, 22, 21, 16), (27, 23, 22, 21)]\"\n\"[-1.97295308e+00 2.32881390e+00 1.05294832e+00 2.66170691e+01\n 6.61733740e+01 1.78109051e+01 -2.25137880e+00 4.46628242e-01\n 3.57460141e-01 1.85367085e+00 -4.82605713e-02 -2.64051431e+00\n 2.69250592e+00 -1.31645752e+00]\",-212.4132682130943,62377,402,Optimization terminated successfully.,True,435,3.298507857222434,3fzr,188.27768851666298,7.960000038146973,35,8,\"[(3, 4, 8, 21), (6, 5, 18, 19), (5, 6, 15, 0), (1, 13, 15, 0), (20, 19, 18, 5), (4, 20, 19, 18), (27, 26, 25, 2), (10, 27, 26, 25)]\"\n\"[ -2.2468147 -1.10296233 2.12952385 -14.98233602 -11.09165643\n 11.26624451 0.14114103 -1.08488829 1.87899178 2.91250474\n -2.93540412]\",[-95.60094578],27768,173,Optimization terminated successfully.,True,319,1.7964644595929857,4r75,89.03477327416158,7.239999771118164,18,5,\"[(0, 1, 2, 3), (4, 5, 6, 7), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 11)]\"\n\"[-2.12796606e+00 -2.66029603e-01 -1.69444762e+00 -1.59668419e+01\n 1.77776738e+01 4.42973297e+01 1.02469798e-01 -2.97371046e+00\n 1.52382972e-02]\",[-86.87351512],19406,121,Optimization terminated successfully.,True,312,1.0935920797715417,4rll,77.78508713680291,5.019999980926514,25,3,\"[(4, 3, 1, 0), (5, 6, 7, 8), (10, 9, 8, 7)]\"\n\"[ 1.54773242 2.02873828 -1.45053205 50.7770071 -21.41815315\n -6.78988448 2.15495782 0.52957516 -0.45807707 -0.67181603\n 0.39782578 -1.58466248 -2.36139302 -0.64859828 0.58766904\n -1.71046632 1.00770228 -0.85214815 -0.22779995 -0.92171573\n 1.73337075 -1.57545844 -1.81830768 -1.1554821 1.09500151]\",[-110.22018418],76580,500,Maximum number of iterations has been exceeded.,False,1152,2.093763527659196,3u2q,82.76326429971675,8.220000267028809,92,19,\"[(9, 10, 12, 13), (10, 12, 13, 14), (12, 13, 15, 16), (24, 25, 27, 28), (31, 34, 36, 37), (34, 36, 37, 38), (43, 44, 46, 47), (49, 48, 46, 44), (68, 66, 65, 64), (85, 70, 79, 69), (84, 85, 70, 79), (68, 71, 77, 79), (71, 77, 79, 69), (71, 77, 80, 81), (77, 80, 81, 82), (80, 81, 82, 90), (81, 82, 90, 91), (83, 88, 89, 74), (82, 90, 91, 76)]\"\n\"[ 1.25406652 0.6039323 -1.38287576 7.4006317 37.48736893\n 145.28071833 0.42673273 -0.39989805 1.8165737 ]\",-86.01244309271488,25455,164,Optimization terminated successfully.,True,225,0.3151660490212098,5dtk,75.34348693469732,4.300000190734863,21,3,\"[(3, 4, 0, 11), (3, 2, 1, 17), (13, 10, 9, 5)]\"\n\"[-2.83401258 -1.97235743 0.39810833 13.86790915 26.83035916 16.74062307\n 1.17678571 1.64295112 2.00363785 -1.63190644 -2.06803881 -0.47205811\n -0.10741894 0.24237065 -0.5491723 -0.99891433 -0.78510952 -0.67785371\n -2.64878415 -1.3888175 1.44734291 -2.96801845 -1.0516806 -1.26529293\n -0.02687563 0.02811863 2.41085708 0.28257387 2.12305497 -1.31680741\n 1.79738735 1.62268218 -1.86337904 -0.34781304 0.26892759 -1.9607451\n -0.67830668 0.64349867 -2.14021212 -0.75922281 -0.69765281 -1.80933737\n 2.18933429 -1.13128885]\",[-78.28832488],89796,500,Maximum number of iterations has been exceeded.,False,980,7.3712662181538064,4k6y,95.07084066995077,4.829999923706055,70,38,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (6, 7, 10, 11), (7, 8, 17, 18), (7, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (8, 17, 18, 19), (17, 18, 19, 20), (22, 21, 18, 17), (18, 19, 31, 32), (23, 22, 21, 18), (19, 31, 32, 33), (31, 32, 33, 34), (31, 32, 35, 36), (32, 33, 40, 41), (32, 35, 36, 37), (35, 36, 37, 38), (33, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 47, 48), (42, 47, 48, 49), (47, 48, 49, 50), (47, 48, 51, 52), (48, 49, 53, 54), (49, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 61, 62), (54, 57, 58, 60), (55, 61, 62, 63), (61, 62, 63, 64), (61, 62, 65, 66), (62, 65, 66, 68)]\"\n\"[ -0.22304771 0.50492341 -2.5865373 -14.73272272 -12.1833921\n 21.49071575 0.35559476 0.13095548]\",-83.60852208353475,10069,64,Optimization terminated successfully.,True,178,0.10667045497202708,4lw1,79.48767431977512,3.1500000953674316,16,2,\"[(0, 1, 5, 10), (8, 6, 2, 0)]\"\n\"[ 0.65614226 0.15230397 -2.07457664 2.53443857 17.90352953 -2.0727215\n 0.16168111 -0.17375718 2.10819807 1.88820634 -0.75895554 0.22327006\n 0.20649137 0.37595768 2.77831118 -0.73461293 2.74327789 -0.40661911\n 0.21583701 -2.57986446 -3.05549547 0.46313822 2.1666537 0.04677048\n -0.50289347 3.07392729 -2.77773097 0.10401237 -1.96891492 -1.45188016\n 2.52178535 -0.15002248 -2.14370944 1.79034066 -2.07211194 -1.24436339\n 0.56405868 0.98772236 -0.65988062 -2.35173842 0.48968824 -1.48717306\n -2.27145893 -1.88390644 -1.73595775 -0.18761822 0.62813551 -0.74277086\n -2.95003707 -2.72784648 -2.87155672 -0.83699113 -0.680038 ]\",[-74.08994904],81279,500,Maximum number of iterations has been exceeded.,False,1253,8.912317967962439,5ajp,57.12821254406415,5.300000190734863,94,47,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (15, 14, 9, 8), (14, 15, 16, 17), (15, 16, 21, 22), (16, 21, 22, 23), (21, 22, 23, 24), (21, 22, 25, 26), (28, 27, 23, 22), (27, 28, 29, 30), (28, 29, 34, 35), (29, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (42, 41, 36, 35), (41, 42, 43, 44), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 55, 56), (50, 55, 56, 57), (55, 56, 57, 58), (55, 56, 59, 60), (56, 57, 62, 63), (57, 62, 63, 64), (62, 63, 64, 65), (62, 63, 66, 67), (63, 64, 68, 69), (64, 68, 69, 70), (68, 69, 70, 71), (68, 69, 72, 73), (69, 70, 75, 76), (70, 75, 76, 77), (75, 76, 77, 78), (75, 76, 79, 80), (76, 77, 82, 83), (77, 82, 83, 84), (82, 83, 84, 85), (82, 83, 86, 87), (83, 84, 88, 89), (84, 88, 89, 90), (88, 89, 90, 91)]\"\n\"[-1.64142468e+00 8.88929421e-01 3.98689619e-01 -8.66454603e+00\n 2.13768962e+01 8.98896295e+00 -1.35440960e+00 -2.17569605e+00\n -9.01069347e-03 2.75741017e+00 -7.95138873e-02]\",-103.67761176165016,50148,323,Optimization terminated successfully.,True,292,2.9490691181364723,4tu4,82.19133914487163,3.759999990463257,26,5,\"[(4, 3, 2, 1), (4, 5, 6, 7), (8, 7, 6, 5), (9, 8, 7, 6), (16, 17, 18, 19)]\"\n\"[ 1.63882963 -0.30067469 0.91591163 -21.09805481 -2.77298078\n 41.99938507 -2.53534715 2.45869483 0.61543481]\",[-185.59419498],20427,128,Optimization terminated successfully.,True,317,1.0842999027096842,4kbc,173.15778405221454,7.849999904632568,20,3,\"[(8, 4, 3, 2), (0, 6, 17, 18), (14, 13, 7, 3)]\"\n[ 2.55485064 -0.27132192 -1.57156317 34.08369959 40.27161922 36.26221772],[-155.21166041],6953,37,Optimization terminated successfully.,True,166,1.4203607327736868e-05,3e62,149.87068690869074,4.389999866485596,11,0,[]\n\"[ 1.49261834 -2.70089095 0.47701851 15.64233251 -5.73773435 16.13774572\n 2.34562314 -2.90273303]\",[-84.34977041],12978,80,Optimization terminated successfully.,True,268,1.8992419199254922,4l7h,69.9437115550062,3.700000047683716,26,2,\"[(2, 12, 0, 10), (7, 4, 3, 13)]\"\n\"[-0.13590193 1.12438017 2.24193968 18.49772808 29.43985271 8.70532249\n -1.41278919 -2.05014879 -0.91125051 0.46438213 1.57725849 2.34243242\n -1.7747477 -0.90428596 -2.00218469 -1.93887378 -2.26156308 -0.84621582\n 2.7581843 0.71492583]\",[-126.48160889],83814,500,Maximum number of iterations has been exceeded.,False,465,2.6561894720816923,2avo,246.10402371779355,8.850000381469727,45,14,\"[(39, 38, 0, 1), (1, 2, 3, 4), (2, 3, 5, 6), (3, 5, 6, 7), (2, 10, 13, 14), (10, 13, 14, 15), (13, 14, 16, 17), (14, 16, 17, 18), (19, 18, 17, 16), (16, 17, 25, 26), (20, 19, 18, 17), (28, 27, 25, 17), (29, 28, 27, 25), (40, 39, 38, 0)]\"\n\"[ -2.04247966 -0.97814175 2.01114343 2.47797443 -29.54162932\n -29.91525742 -0.14570274 0.21019836 -3.12860358 1.13036429]\",-90.40873831227714,39081,258,Optimization terminated successfully.,True,268,0.818624334687166,5xyx,69.44862335029399,4.840000152587891,20,4,\"[(6, 5, 4, 0), (6, 9, 10, 11), (12, 11, 10, 9), (13, 12, 11, 10)]\"\n\"[ 2.87066577 -2.12697354 -0.12044703 2.34112855 8.34473351 -6.65768444\n 1.32175927 -1.70008702 0.3149266 1.24185157]\",[-26.66350101],45748,299,Optimization terminated successfully.,True,138,1.6312152495955237,2wsx,17.316563139043815,2.4100000858306885,10,4,\"[(1, 0, 6, 9), (2, 3, 5, 9), (3, 5, 9, 6), (0, 6, 9, 5)]\"\n\"[ 2.63187699 2.28503012 -2.61797836 29.03784133 29.5333132 7.85046296\n -2.43842605 0.17474445 0.99820586 1.28561848 -1.37122235 1.84473671]\",[-68.93184922],76687,486,Optimization terminated successfully.,True,357,1.4773112684080827,5ov9,43.78436635737862,5.659999847412109,28,6,\"[(2, 1, 0, 7), (8, 7, 0, 1), (14, 13, 0, 1), (3, 4, 25, 19), (9, 10, 26, 21), (15, 16, 27, 23)]\"\n\"[ 0.21385322 2.59181257 1.42951643 -8.45451919 19.38033658 4.2020711\n 3.11720313 -0.21201725]\",[-60.8159786],16003,97,Optimization terminated successfully.,True,194,1.2553865267927278,2bua,45.29883607668327,4.519999980926514,13,2,\"[(6, 5, 2, 0), (0, 2, 11, 12)]\"\n\"[-1.99327261e+00 2.11004431e+00 -2.43990568e+00 1.07918527e+02\n -1.98092436e+01 -2.51138097e+01 3.85958795e-01 2.69383422e+00\n -2.51667141e+00 9.72520921e-02 9.82593420e-01 -2.52565851e+00\n 1.49920436e+00 -2.42485383e+00 -5.18215184e-01 8.90776027e-01\n -2.67979982e+00]\",[-87.44968322],77769,500,Maximum number of iterations has been exceeded.,False,436,2.194920417079178,5c5h,103.30937915467734,6.400000095367432,38,11,\"[(10, 9, 7, 6), (9, 14, 15, 16), (14, 15, 17, 18), (15, 17, 18, 19), (17, 18, 19, 20), (18, 19, 21, 22), (19, 21, 22, 23), (21, 22, 25, 26), (27, 26, 25, 22), (28, 27, 26, 25), (0, 34, 33, 28)]\"\n\"[-2.60466125 -0.44052097 -1.29943825 19.89914312 -6.69443016 14.29735313\n 0.80450133 -1.9938029 -0.83527625 -2.6777615 -2.03441537 -1.56050594\n 2.85872525 2.28053459 -0.65188692]\",-97.06086011219719,26136,171,Optimization terminated successfully.,True,346,2.5899008467257922,2chm,78.735631361804,8.260000228881836,32,9,\"[(0, 1, 5, 10), (14, 9, 4, 1), (16, 13, 8, 3), (13, 16, 20, 24), (14, 18, 22, 26), (16, 20, 24, 27), (17, 21, 25, 28), (20, 24, 27, 29), (24, 27, 29, 30)]\"\n\"[ 1.58961501 1.24737684 -1.58615376 34.31771025 122.20455524\n 12.19978363 -1.05178982 -1.42776224 -1.21546794 2.98223797\n -2.98369493 0.78144876 -1.20093782]\",-119.47118258098041,47406,301,Optimization terminated successfully.,True,371,1.371363013229314,2h42,104.5227207625663,8.619999885559082,33,7,\"[(3, 2, 1, 0), (4, 3, 2, 1), (15, 14, 11, 10), (15, 16, 23, 24), (14, 19, 20, 21), (19, 20, 21, 22), (27, 26, 23, 16)]\"\n\"[ -1.57067292 -1.37025826 -1.43907053 -44.52544711 16.31896223\n 12.0625472 -1.36141629 -1.54174813 -0.88942668 2.17496113\n 1.8557434 -2.33689211 0.33929499]\",-156.003804989222,40698,258,Optimization terminated successfully.,True,371,1.8957082889862298,4zt5,147.50194055758868,8.0,24,7,\"[(16, 0, 1, 15), (1, 0, 17, 7), (0, 1, 15, 2), (4, 3, 2, 15), (3, 2, 15, 1), (18, 7, 17, 0), (8, 18, 7, 17)]\"\n\"[ -0.44830807 -2.55276495 2.56812357 -19.16515935 -5.52958157\n 2.29783856 -0.53122879 -1.05235146 0.4206175 -1.7623788\n -0.36615052 0.97801889 -0.52986728 -0.4698578 -2.21396409\n 0.99581842 -1.5952366 -2.15842408 0.69727169 1.88588042]\",[-92.23243848],81840,500,Maximum number of iterations has been exceeded.,False,458,4.6862849457542675,4i8z,228.0215942441364,11.050000190734863,40,14,\"[(3, 2, 1, 0), (0, 1, 11, 12), (4, 3, 2, 1), (1, 11, 12, 13), (14, 13, 12, 11), (11, 12, 20, 21), (15, 14, 13, 12), (12, 20, 22, 23), (20, 22, 23, 24), (22, 23, 24, 25), (22, 23, 28, 29), (23, 24, 25, 26), (32, 31, 28, 23), (33, 36, 37, 38)]\"\n\"[-0.78409479 -3.05405413 -1.93059622 45.00417837 8.59487076 21.10869649\n -2.83939569 -2.32095028 1.72069498 -1.16562168 -2.93439077 -1.14779873\n -2.24513184 2.22538116 -0.73096985 -0.78622572 -0.53046105 0.5501533\n -1.50246316 -1.14804529 0.3744716 0.07495948 2.05099074 -1.17375445\n 1.44391235 -1.51906381 0.11532248 -1.49507743]\",[-100.11439835],86691,500,Maximum number of iterations has been exceeded.,False,564,2.4154095042923656,1a08,89.51853031323026,5.619999885559082,41,22,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (8, 7, 4, 3), (4, 5, 22, 23), (9, 8, 7, 4), (11, 13, 14, 15), (13, 14, 17, 18), (5, 22, 23, 26), (22, 23, 26, 27), (22, 23, 24, 25), (23, 24, 32, 33), (23, 26, 27, 28), (26, 27, 28, 30), (24, 32, 33, 34), (24, 32, 38, 39), (32, 33, 34, 35), (33, 34, 35, 36), (34, 35, 36, 37), (32, 38, 39, 40), (38, 39, 40, 41), (39, 40, 41, 42)]\"\n\"[-1.68126835e+00 -1.66293829e+00 1.93299489e+00 9.35142369e+01\n 1.21957557e+02 2.45501374e+01 -1.48147914e+00 1.84090536e+00\n 2.57838808e+00 -7.12360535e-02 2.04914171e+00 5.22909842e-01]\",[-97.13924872],79560,500,Maximum number of iterations has been exceeded.,False,440,2.3397149503181724,6clv,111.67572402426916,4.880000114440918,31,6,\"[(3, 4, 6, 13), (14, 13, 6, 4), (15, 14, 13, 6), (16, 17, 20, 21), (22, 21, 20, 17), (25, 22, 21, 20)]\"\n\"[ -0.08407735 -3.03157019 3.00561939 -7.81861494 -15.52842726\n -12.71312263 2.24624964 -0.2167436 -2.76569577 -0.59309501\n -0.79596443 -1.93627451]\",[-190.60332199],46592,292,Optimization terminated successfully.,True,303,2.2516622594287106,4gih,188.10752222530036,8.319999694824219,23,6,\"[(1, 0, 4, 11), (5, 3, 12, 4), (3, 12, 4, 0), (13, 14, 16, 17), (14, 16, 17, 18), (20, 19, 17, 16)]\"\n\"[-2.48855884 -2.15457636 -1.36125955 -8.00668619 15.76627709 0.70758833\n -1.45819124 -0.9361703 0.17531857]\",[-71.31009582],29375,184,Optimization terminated successfully.,True,349,2.4874377156127703,6i3s,92.48897166668257,7.050000190734863,31,3,\"[(7, 3, 2, 1), (20, 19, 18, 4), (5, 20, 19, 18)]\"\n\"[ -1.90073164 -1.00495797 2.20403444 -37.51079374 45.37413208\n 13.5877063 -0.30864156 2.3294525 2.76565633 -2.32890306\n 1.87178239 -0.74985284 -2.49364152 -0.86090354 -0.23751466\n -2.51971477]\",[-113.3361002],82999,500,Maximum number of iterations has been exceeded.,False,408,4.385246015158147,3k7f,136.2992358666625,7.699999809265137,28,10,\"[(1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (15, 14, 12, 11), (20, 19, 17, 16), (20, 21, 25, 26)]\"\n\"[ 2.78801191 -1.41288851 -1.36987813 -25.95869726 -28.58860423\n 4.756238 ]\",[-72.69334914],7428,46,Optimization terminated successfully.,True,254,2.4777185548337135e-06,4n7m,63.37473632151958,5.46999979019165,16,0,[]\n\"[ -2.04325904 -2.89349467 1.44750933 -44.42559162 39.14060791\n 91.71598917 0.87135445 0.70614211 -2.28635311 2.21678585\n 2.89872909 -1.97208037 1.69432814 1.17699934]\",[-80.5346495],29199,185,Optimization terminated successfully.,True,415,1.4765351215904186,1rhm,57.4261561135405,5.760000228881836,25,8,\"[(17, 18, 1, 0), (0, 5, 6, 7), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 13), (8, 9, 11, 12), (9, 10, 13, 14), (16, 21, 22, 23)]\"\n\"[ 0.45019016 -0.93199064 0.32702482 24.70647534 4.26207691 14.4272453\n -1.91653593 -1.74007534 -1.19203051 -2.13476307]\",[-57.80818451],21657,137,Optimization terminated successfully.,True,168,1.0969012932821842,4e3o,46.12328170745641,6.510000228881836,10,4,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 8, 9)]\"\n\"[ -0.09638946 -2.12071757 0.76832933 5.96929789 -14.40830847\n 10.02846664 -0.97483845 -1.70994931 2.17124097 0.23589238\n 1.19801267 0.68358956 2.70737146 -1.55385385 -1.54289868\n -2.11778799 1.47024861 1.86479901 -1.90227936 0.62911464]\",[-91.9236237],69885,422,Optimization terminated successfully.,True,743,3.4458947969205007,4mrd,32.173962838156065,3.369999885559082,52,14,\"[(15, 11, 0, 1), (3, 4, 5, 10), (14, 15, 11, 0), (29, 34, 13, 14), (13, 14, 21, 19), (16, 17, 18, 24), (14, 21, 19, 20), (41, 37, 26, 27), (13, 34, 29, 28), (29, 30, 31, 36), (40, 41, 37, 26), (39, 40, 47, 45), (42, 43, 44, 50), (40, 47, 45, 46)]\"\n\"[ 2.56127831 0.27947642 2.39863737 21.8892356 -25.21307579\n 50.94412378 -0.74167936 0.16159098 2.30371851 -1.07174725\n -1.41892239]\",[-145.65453884],15248,91,Optimization terminated successfully.,True,391,0.9357608400849068,3az8,84.2976532903179,6.0,18,5,\"[(1, 2, 12, 14), (0, 5, 6, 7), (5, 6, 8, 9), (6, 8, 9, 10), (8, 9, 11, 13)]\"\n\"[-1.13334842 3.13935402 -0.91951866 9.29039863 9.79338554 5.67034689\n -0.36053851 -2.63082927]\",-201.70386565747555,17061,110,Optimization terminated successfully.,True,292,1.81481029807596,2gni,195.1269070081688,5.639999866485596,20,2,\"[(4, 3, 1, 0), (11, 10, 1, 0)]\"\n\"[ 1.76747759 -0.48658735 -1.17733188 20.58769703 4.48870225 20.24489801\n -1.75448253 0.10013357 -1.65120144 2.70744532 -0.0846479 0.88950316\n 0.02837668 1.64738124 1.59292144 0.20510622 1.4527622 ]\",[-128.62637131],71010,449,Optimization terminated successfully.,True,479,3.9979709860903525,2aig,111.68566010726798,5.0,30,11,\"[(8, 0, 1, 2), (1, 0, 8, 9), (0, 1, 2, 3), (0, 1, 6, 7), (1, 2, 3, 4), (1, 6, 15, 16), (11, 10, 8, 0), (6, 15, 16, 17), (15, 16, 17, 18), (20, 19, 16, 15), (21, 20, 19, 16)]\"\n\"[ 1.7825906 -0.26257471 1.34959269 13.14941658 39.64356955 8.12976252\n -0.19331299 0.19388793]\",-90.65472126708059,10677,68,Optimization terminated successfully.,True,293,0.5115778372012364,4e5d,52.85309548000227,6.21999979019165,18,2,\"[(8, 7, 6, 1), (13, 14, 16, 17)]\"\n\"[ 0.85141704 -2.77571438 -2.00937447 23.80555095 -15.21212332\n 18.85645025 -2.53670511 1.11735192 -2.64947876 0.56772792\n -2.48604568 1.93434506 2.20349759 2.32139098 -2.53154568\n 0.37992279 -0.87774607]\",[-66.22387857],78633,500,Maximum number of iterations has been exceeded.,False,384,3.077354298647464,1t4v,98.58596820479289,7.679999828338623,27,11,\"[(1, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8), (9, 8, 7, 6), (10, 9, 8, 7), (12, 13, 16, 17), (13, 16, 18, 19), (16, 18, 19, 20), (23, 22, 18, 16), (18, 19, 20, 21)]\"\n\"[ 1.71231188 2.36774104 -1.94053037 -9.14630183 13.62964011 67.77285547\n 2.13853454 1.71314307 1.64606927 -1.07510989 -0.12169293 -1.83038215\n -1.81930444 1.73692392 0.41344362 2.40806493]\",[-91.05429379],81809,500,Maximum number of iterations has been exceeded.,False,484,2.1080488290166772,5ntw,79.42095533956112,9.220000267028809,38,10,\"[(1, 23, 2, 3), (10, 6, 5, 25), (6, 5, 25, 20), (7, 8, 27, 11), (8, 27, 11, 12), (15, 14, 13, 22), (21, 22, 13, 14), (17, 18, 20, 24), (18, 20, 25, 5), (30, 31, 34, 35)]\"\n\"[ 3.0214592 -1.27947499 -0.32683509 46.05730217 41.4997805 79.09608022\n 2.43376569]\",-69.61837419515898,10640,67,Optimization terminated successfully.,True,195,1.3136114048775598,4urv,53.64373973303269,2.7699999809265137,14,1,\"[(3, 6, 7, 8)]\"\n\"[ -1.84490626 1.94618726 -1.53987249 36.80234507 -15.83343564\n 23.21142991 -0.74618662 0.74902196 -0.71779957 -2.19559735\n -1.59665986 2.47902179 1.78932152 0.1083979 ]\",[-192.94653204],46097,292,Optimization terminated successfully.,True,540,2.2116974033963994,5tku,231.66700153472064,9.800000190734863,42,8,\"[(15, 16, 0, 23), (3, 1, 25, 2), (24, 2, 23, 0), (1, 25, 2, 23), (7, 8, 36, 37), (19, 18, 17, 12), (8, 36, 37, 38), (36, 37, 38, 40)]\"\n\"[-0.10062545 1.25834423 1.48192852 42.21140742 0.89494804 67.59226782\n 1.12883853 -0.19669157 2.80230437 -2.4260657 2.84712938 -1.69851196\n -0.51732724 1.70323606]\",-172.4188070532353,25571,163,Optimization terminated successfully.,True,478,2.0319607838187017,1xot,75.50716175097136,5.420000076293945,34,8,\"[(3, 2, 1, 0), (4, 3, 2, 1), (5, 6, 9, 10), (21, 20, 8, 3), (14, 13, 9, 6), (15, 16, 19, 12), (24, 29, 31, 32), (29, 31, 32, 33)]\"\n\"[ 2.26627852e-01 -1.32625258e+00 1.31014675e-01 6.56652582e+01\n -1.10407480e+01 -2.28843214e+01 4.82025967e-03 -3.10636222e-01\n 7.83337828e-01 4.11440145e-01 -1.61327822e+00 6.62796223e-01\n -1.08982349e+00 -7.87698838e-01 2.33036207e+00 1.69362302e-01\n -2.77094161e+00 2.73408392e-01 -1.63733166e+00 -1.30910648e-01\n -1.95518069e+00 2.44218514e+00 2.02887698e+00 5.73579136e-01\n 8.41841800e-01 -9.81390631e-01 -1.07996614e+00 -2.28119341e+00\n 3.43869339e-02 -1.69931129e+00 -1.37397620e+00 -8.17059718e-01\n -2.11639595e+00 -6.73575005e-01 5.37331429e-02 -2.32381786e+00\n -6.22420091e-01 6.03325553e-01 -4.43853019e-01 4.28677936e-01\n -8.12692387e-01 -4.59390747e-01 -1.31785131e+00 -1.71443210e+00\n -8.79334844e-01]\",[-86.73421249],94366,500,Maximum number of iterations has been exceeded.,False,972,5.326663837608572,4i2w,41.79719115850762,3.9200000762939453,69,39,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (6, 7, 9, 10), (7, 9, 10, 11), (9, 10, 11, 12), (14, 13, 11, 10), (13, 14, 15, 16), (14, 15, 20, 21), (15, 20, 21, 22), (20, 21, 22, 23), (20, 21, 24, 25), (21, 22, 27, 28), (22, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 35, 36), (28, 31, 32, 34), (29, 35, 36, 37), (35, 36, 37, 38), (35, 36, 39, 40), (36, 37, 44, 45), (36, 39, 40, 41), (39, 40, 41, 42), (37, 44, 45, 46), (44, 45, 46, 47), (44, 45, 48, 49), (45, 46, 53, 54), (45, 48, 49, 50), (48, 49, 50, 51), (46, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 60, 61), (55, 60, 61, 62), (60, 61, 62, 63), (60, 61, 64, 65), (61, 64, 65, 66)]\"\n\"[ -1.10173987 -2.90939577 -1.26171778 19.45400256 -38.8557714\n -1.00215263 -0.91139747 0.0488348 ]\",[-113.06421748],14858,90,Optimization terminated successfully.,True,311,1.4612987902420986,4wsy,86.69301830382874,7.769999980926514,25,2,\"[(11, 10, 9, 0), (20, 19, 18, 12)]\"\n\"[ 7.04519320e-01 -2.00439496e+00 9.17402751e-01 -4.35741643e+00\n -4.01947251e-02 4.38574414e+01 3.12027880e-01 -4.74630149e-01\n 2.41404355e+00 -6.36842030e-01 -3.08015953e+00 -2.08412840e+00\n 1.49511464e+00 2.08899169e+00 -2.00996120e+00]\",[-235.48328127],40586,262,Optimization terminated successfully.,True,443,0.9058870612952896,3mvm,232.98362459318136,8.40999984741211,32,9,\"[(17, 16, 4, 3), (6, 7, 9, 10), (7, 9, 11, 12), (9, 11, 12, 13), (11, 12, 13, 14), (18, 17, 16, 4), (20, 21, 23, 24), (26, 25, 23, 21), (27, 26, 25, 23)]\"\n\"[ 0.96251398 -0.85931291 0.74505448 0.74348848 17.76224373 48.20223432\n -1.23060868 -0.42963802 -2.52079738 -1.05218402 0.97982411 -0.16726415\n 2.69200695 2.74819318 -0.13546205 -0.47071844 2.07091098 -0.23571568\n 3.07726212]\",[-69.3845687],77972,500,Maximum number of iterations has been exceeded.,False,467,4.205278035812572,1nqc,100.63049709976798,7.300000190734863,32,13,\"[(9, 0, 1, 2), (1, 0, 9, 10), (4, 3, 1, 0), (0, 9, 10, 11), (26, 25, 9, 0), (9, 10, 12, 13), (10, 12, 13, 14), (12, 13, 14, 15), (12, 13, 16, 17), (13, 16, 17, 18), (19, 18, 17, 16), (20, 19, 18, 17), (27, 26, 25, 9)]\"\n\"[ 1.68010274 -0.8916713 -0.59075808 40.28650337 -20.63761626\n -17.99953655 -1.49892005 2.66602593 -2.2251453 -1.94204151\n -0.77915765 1.31599719 0.57021456]\",[-102.08243257],41234,253,Optimization terminated successfully.,True,489,3.1130432028886292,4op3,91.99271865809246,8.149999618530273,36,7,\"[(7, 6, 5, 0), (8, 7, 6, 5), (8, 9, 10, 11), (14, 13, 10, 9), (24, 23, 22, 7), (25, 28, 29, 30), (28, 29, 30, 31)]\"\n\"[-2.03148916 -0.98394813 2.53898972 6.05954669 56.68294007 55.0876089\n -1.87528036 -3.09112531 -0.08549144 2.44082056]\",[-71.83997197],28506,182,Optimization terminated successfully.,True,196,2.035292733300304,1w8m,51.930368758321094,1.600000023841858,13,4,\"[(0, 5, 6, 7), (5, 6, 8, 9), (6, 8, 10, 11), (8, 10, 11, 12)]\"\n\"[ 1.91756285 2.59094189 -0.42446466 27.67124833 4.35803397 -5.54368721\n -2.35330235 -1.587862 -2.64776125 -2.6820013 2.57724516]\",[-121.20821137],44740,285,Optimization terminated successfully.,True,340,0.9300622491456209,5lz5,97.23937895727263,6.349999904632568,25,5,\"[(13, 24, 1, 0), (2, 3, 4, 5), (3, 4, 5, 18), (6, 18, 5, 4), (11, 6, 18, 5)]\"\n\"[ 2.1154362 -0.68328476 -0.37229123 31.48804605 66.35109664 7.88808876\n 3.07744546]\",[-126.19409631],6104,35,Optimization terminated successfully.,True,238,0.09513922234884502,1qx1,110.08670518904714,2.119999885559082,11,1,\"[(5, 0, 7, 8)]\"\n\"[-0.2592231 -1.39967365 2.43881975 20.79194797 38.536927 16.20725751\n 0.15709748 2.93164228 0.96915243 0.46992428 2.84955246 -0.91288941\n -0.32751375 0.54220027 -1.75898508]\",[-55.91060585],53818,350,Optimization terminated successfully.,True,227,2.3940585522706983,6fhu,40.456587184754355,2.640000104904175,19,9,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 11, 12), (7, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16)]\"\n\"[-7.58508028e-01 2.05836412e+00 1.88528073e+00 -4.24795438e+01\n 1.23017656e+01 2.73618948e+01 -1.71230701e+00 2.25881617e+00\n 5.24919804e-03 -1.54985696e+00 -5.34775243e-01]\",[-69.77465445],27254,166,Optimization terminated successfully.,True,417,1.9928453019494439,4tsx,59.88414842787209,4.989999771118164,30,5,\"[(7, 6, 0, 1), (0, 1, 17, 18), (1, 17, 18, 19), (1, 17, 21, 22), (17, 21, 22, 23)]\"\n\"[ 0.04438185 0.164949 0.6315547 19.30221023 -16.0327997\n 10.86905246 -0.06250417 1.32619545 0.13970865]\",[-88.20002592],21991,136,Optimization terminated successfully.,True,321,1.397545444124486,4jv6,61.09451847407081,6.659999847412109,22,3,\"[(7, 6, 5, 0), (8, 7, 6, 5), (17, 16, 15, 7)]\"\n\"[ 1.86922202 -0.49675656 0.62818814 3.27399228 -8.24606817 5.14055638\n 0.32284009 0.96412811 -1.87229999 0.69018412 -0.66718096]\",[-115.305056],77826,500,Maximum number of iterations has been exceeded.,False,337,1.4418792544738899,2wbb,98.7293763757407,6.039999961853027,20,5,\"[(7, 6, 4, 5), (5, 4, 16, 17), (14, 7, 6, 4), (4, 16, 17, 8), (1, 18, 17, 8)]\"\n\"[-6.05934053e-01 2.38651382e+00 -1.83220829e+00 2.51294649e+01\n 6.29287832e+00 -5.05829366e+01 1.42104930e+00 1.52092038e+00\n 1.32685911e+00 6.76529684e-01 -6.75781825e-01 -1.06645520e+00\n -2.45887370e+00 -1.00201757e+00 -1.51585632e+00 5.10413884e-01\n 2.27612356e+00 6.41900382e-01 -2.72850224e+00 1.99673276e+00\n -1.47000173e+00 -1.25683418e+00 -2.23631045e-01 2.47123026e-02\n -2.73389753e+00 1.72722269e+00 -1.85646475e+00 9.37290311e-01\n -6.06194102e-01 8.61985425e-01 -1.32852669e+00 -8.69300022e-02\n -2.60059744e+00 -2.83238341e+00 -3.31036130e-02 3.04557681e-01\n -5.48009670e-01 -1.00360981e+00 -2.56817744e+00 2.32086063e+00\n 3.18750547e-01 1.79748712e+00]\",[-76.78228289],85802,500,Maximum number of iterations has been exceeded.,False,800,3.455542753961434,4o3u,95.5781512463358,6.400000095367432,115,36,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 8, 9), (1, 4, 5, 7), (2, 8, 9, 10), (8, 9, 10, 11), (8, 9, 12, 13), (9, 10, 16, 17), (9, 12, 13, 15), (10, 16, 17, 18), (16, 17, 18, 19), (17, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (25, 24, 22, 21), (26, 25, 24, 22), (42, 41, 38, 37), (43, 42, 41, 38), (54, 53, 50, 49), (55, 54, 53, 50), (63, 64, 67, 68), (64, 67, 68, 69), (67, 68, 69, 70), (71, 72, 75, 76), (72, 75, 76, 77), (79, 80, 83, 84), (80, 83, 84, 85), (83, 84, 85, 86), (84, 85, 86, 87), (90, 91, 94, 95), (91, 94, 95, 96), (94, 95, 96, 97), (99, 100, 103, 104), (100, 103, 104, 105), (103, 104, 105, 106), (108, 109, 110, 111)]\"\n\"[ 1.18469791e+00 -7.80918281e-01 6.12861401e-01 4.63390840e+01\n 2.83268375e+01 6.62492735e+01 -2.96663561e+00 -2.97531580e+00\n -1.29644024e+00 -2.34333284e+00 1.89022922e+00 -5.38020978e-01\n 1.27365374e+00 -1.15819457e+00 5.22399090e-01 -1.79652861e-01\n 1.61397868e-02 2.62345446e+00]\",[-66.56102254],82169,500,Maximum number of iterations has been exceeded.,False,437,2.7893188432864884,4h3a,26.91639321010562,6.289999961853027,23,12,\"[(0, 1, 3, 4), (1, 3, 5, 6), (3, 5, 6, 7), (9, 8, 6, 5), (10, 13, 14, 15), (13, 14, 15, 16), (14, 15, 16, 17), (15, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22)]\"\n\"[ -2.34420206 0.50661285 0.65848524 0.75018455 -11.54648097\n 18.60388548 -0.39899775 -1.56403926 0.84771582 1.75661977]\",[-60.05607949],37304,243,Optimization terminated successfully.,True,292,1.2504766914399306,3jqg,37.03516127218128,4.739999771118164,18,4,\"[(1, 0, 14, 13), (8, 7, 6, 5), (9, 12, 13, 14), (0, 14, 13, 12)]\"\n\"[-2.17293703e+00 -1.95243618e-01 -1.06996133e+00 1.56589808e+01\n 2.41674028e+01 6.11476236e-01 -3.05447674e-01 -2.40639619e+00\n 1.98652192e+00 6.05066947e-01 1.92853767e+00 -8.05554685e-02\n 3.56300940e-02 -6.97467305e-02 1.34269790e+00 2.25782540e+00\n -9.84555252e-01 2.03703780e+00 9.27453922e-03 -2.86420141e+00\n -2.18912108e+00 2.74270305e-01 -2.47193449e+00 -1.46030719e+00\n -2.76395543e-02 1.37632962e-01 1.81776823e+00 5.31733619e-01\n -2.06924961e-01 2.97170717e+00 2.08335906e-01 2.86871730e-01\n -2.82770083e+00 -7.53038357e-01 2.30395925e+00 8.73617786e-01\n -1.22623952e+00 -5.96708840e-01 -2.73840653e+00 -2.01655224e+00\n 2.74875481e+00 -1.10323258e+00 2.50252575e+00 1.55871928e+00\n 2.82225167e+00 9.10227097e-01]\",[-64.6359065],95709,500,Maximum number of iterations has been exceeded.,False,854,4.344604057373367,3fe7,70.6220326252602,7.119999885559082,82,40,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (8, 7, 4, 3), (4, 5, 14, 15), (9, 8, 7, 4), (5, 14, 15, 16), (14, 15, 16, 17), (14, 15, 18, 19), (15, 16, 22, 23), (15, 18, 19, 20), (18, 19, 20, 21), (16, 22, 23, 24), (22, 23, 24, 25), (23, 24, 28, 29), (24, 28, 29, 30), (31, 30, 29, 28), (28, 29, 42, 43), (32, 31, 30, 29), (33, 36, 37, 38), (36, 37, 38, 39), (29, 42, 44, 45), (42, 44, 45, 46), (44, 45, 46, 47), (49, 48, 45, 44), (45, 46, 58, 59), (50, 49, 48, 45), (46, 58, 59, 60), (58, 59, 60, 61), (58, 59, 62, 63), (69, 72, 60, 59), (59, 62, 63, 64), (62, 63, 64, 65), (67, 69, 70, 71), (67, 69, 72, 60), (69, 70, 73, 74), (70, 73, 74, 75), (73, 74, 75, 76), (73, 74, 77, 78), (74, 77, 78, 79)]\"\n\"[ -0.45560596 0.65773496 1.73659595 -49.15325318 13.75648639\n -5.70540902 2.4120126 -1.10932733 -0.51111098 -0.1835768 ]\",[-54.17404825],23351,148,Optimization terminated successfully.,True,284,1.6264600191744942,6g9i,31.982732657733767,3.930000066757202,22,4,\"[(20, 12, 17, 16), (17, 12, 20, 13), (19, 16, 17, 12), (9, 19, 16, 17)]\"\n\"[-1.15180545 -0.46665524 1.72022611 30.54287894 17.7871904 17.12534535\n -1.88792623 0.83711461 -0.99607535 -1.12245956 -2.4377554 0.94702791\n -0.26375262 1.92775077 -1.96946429 2.2090475 1.83256301 2.25199181]\",[-91.67470843],82435,500,Maximum number of iterations has been exceeded.,False,709,2.7638347307586897,1q83,172.506423473315,12.390000343322754,50,12,\"[(6, 7, 22, 23), (10, 9, 8, 7), (7, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26), (24, 25, 26, 27), (28, 27, 26, 25), (29, 28, 27, 26), (28, 29, 33, 34), (29, 33, 34, 35), (36, 35, 34, 33), (37, 36, 35, 34)]\"\n\"[ 2.97104127 -1.39854736 -1.38401257 10.29082799 -5.93535653 2.99274459\n -0.03501253 -1.7791224 1.27435801 2.08248112 -0.36935764 -1.0120944\n -1.2574773 1.25439455 -2.63487829 -1.00858142 -2.45184835 -0.99574869\n -1.79908557 -0.81372273 0.16359018 -1.98105737 2.89230311 1.76644035\n -3.12473492 -2.21956051 0.76588585 -2.03700364 -1.38310292 -0.04835292\n -2.29026427 1.67413598 -1.45837897 -1.03518434 -2.2129097 -1.69241937\n -1.59007959 1.22212641 1.87929471 -0.19470867 0.03459805 -2.83219112\n 0.24956034 0.20710961 -0.24336489 1.37102576 1.41960499 0.33037675\n 2.69933928 -1.91930614 2.03187892 0.88156926 -2.58138613 -0.61690475\n -0.60573207]\",[-81.14356879],84961,500,Maximum number of iterations has been exceeded.,False,1117,7.81672778735248,1uef,87.84369735146957,5.489999771118164,88,49,\"[(0, 1, 4, 6), (0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 11), (12, 11, 8, 7), (7, 8, 9, 10), (8, 9, 21, 22), (13, 12, 11, 8), (9, 21, 22, 25), (21, 22, 25, 27), (21, 22, 23, 24), (22, 23, 29, 30), (22, 25, 26, 28), (23, 29, 30, 33), (29, 30, 33, 34), (29, 30, 31, 32), (30, 31, 38, 39), (30, 33, 34, 35), (33, 34, 35, 37), (31, 38, 39, 42), (38, 39, 42, 43), (38, 39, 40, 41), (39, 40, 46, 47), (39, 42, 43, 45), (40, 46, 47, 50), (46, 47, 50, 51), (46, 47, 48, 49), (47, 48, 55, 56), (47, 50, 51, 52), (50, 51, 52, 53), (51, 52, 53, 54), (48, 55, 56, 59), (55, 56, 59, 60), (55, 56, 57, 58), (56, 57, 63, 64), (56, 59, 60, 61), (57, 63, 64, 67), (68, 67, 64, 63), (63, 64, 65, 66), (64, 65, 75, 76), (69, 68, 67, 64), (65, 75, 76, 77), (75, 76, 77, 78), (76, 77, 79, 80), (77, 79, 80, 83), (79, 80, 83, 84), (79, 80, 81, 82), (80, 83, 84, 85), (83, 84, 85, 86)]\"\n\"[-3.07085793 -1.18016844 -1.02734641 12.08757844 56.60573973 26.6859247\n -0.26307675 2.75056712 -0.86275712 -0.06769478 2.45354817 2.37589011\n -2.10700797 -2.63015405 -1.31349669 -2.32743565]\",[-155.04718587],65030,398,Optimization terminated successfully.,True,399,1.6245335095439406,5g17,139.61412262684485,6.699999809265137,22,10,\"[(11, 0, 10, 9), (12, 11, 0, 10), (2, 1, 3, 5), (2, 1, 18, 17), (1, 3, 5, 6), (3, 5, 6, 7), (5, 6, 7, 8), (6, 7, 8, 9), (7, 8, 9, 10), (8, 9, 10, 0)]\"\n\"[ 6.41934745e-01 -2.84070129e+00 2.07354162e+00 3.50870821e+01\n 8.44802952e+01 -2.83361283e+00 2.07820977e+00 7.05669118e-03\n 1.34111829e+00 3.01947242e+00]\",[-140.62648195],29358,189,Optimization terminated successfully.,True,320,1.3160074014404959,5uc4,124.54705519934691,6.460000038146973,23,4,\"[(10, 16, 3, 17), (11, 10, 8, 7), (11, 12, 18, 19), (0, 20, 18, 12)]\"\n\"[-3.10016886e+00 2.48831616e+00 -2.26657255e+00 7.93533746e+00\n 2.90285040e+01 2.61944252e+01 -9.66478135e-01 -9.57381102e-01\n 4.00992882e-01 9.52968969e-01 5.30851636e-01 4.78227455e-01\n 1.59807626e+00 2.18679032e-01 -3.78975815e-01 5.91795655e-01\n 2.41173972e+00 -1.99895697e+00 2.41244786e+00 2.59758859e+00\n 4.19128792e-01 -2.02688864e-03 2.36593477e-01 3.79479549e-01\n -3.86151723e-01 9.98629162e-01 -2.95648871e+00 1.42870805e-01\n -1.21526149e+00 1.81311420e+00 2.23472839e+00 -3.80734302e-01\n 2.67026693e-01 6.42350075e-01 1.50445151e+00 1.46410322e+00\n -1.23758841e+00 1.28791957e+00 -1.28046424e+00 -2.32152092e+00\n -1.40592113e+00 1.55362472e+00 2.01536702e+00 -1.71692850e+00\n 9.14800803e-01 8.21741981e-01 -2.23421493e+00 2.76547262e+00\n -5.77158742e-01 9.80497400e-01 -3.77836160e-01]\",-59.71053969573535,77745,500,Maximum number of iterations has been exceeded.,False,952,6.2294609488603445,1ukh,65.71694672233761,6.380000114440918,84,45,\"[(0, 1, 2, 3), (1, 2, 7, 8), (2, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 9, 16, 17), (8, 11, 12, 13), (11, 12, 13, 14), (12, 13, 14, 15), (9, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (28, 27, 18, 17), (17, 20, 21, 22), (20, 21, 22, 23), (21, 22, 23, 24), (27, 28, 29, 30), (28, 29, 34, 35), (29, 34, 35, 36), (34, 35, 36, 37), (34, 35, 38, 39), (35, 36, 41, 42), (36, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (48, 49, 52, 53), (49, 50, 56, 57), (49, 52, 53, 54), (50, 56, 57, 58), (56, 57, 58, 59), (56, 57, 60, 61), (57, 58, 64, 65), (57, 60, 61, 62), (58, 64, 65, 66), (64, 65, 66, 67), (64, 65, 68, 69), (65, 66, 72, 73), (65, 68, 69, 70), (66, 72, 73, 74), (72, 73, 74, 75), (77, 76, 73, 72), (78, 77, 76, 73)]\"\n\"[ 3.98372798e-01 2.27878617e+00 2.63452423e+00 4.41429034e+01\n 2.92729219e+01 5.67117937e+00 -5.06699538e-01 -1.63270707e+00\n 1.50950819e+00 -9.10866666e-01 3.03846514e+00 2.11151285e-02]\",[-139.66965092],38363,235,Optimization terminated successfully.,True,450,3.8153961877101805,4i60,97.10211632023064,5.730000019073486,26,6,\"[(1, 2, 9, 10), (2, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (11, 12, 13, 14), (17, 18, 13, 12)]\"\n\"[-0.4033801 0.35179779 -1.32372407 17.38045805 7.5759338 7.82615877\n -3.00213476]\",[-73.0556597],15058,92,Optimization terminated successfully.,True,232,1.380641628167858,2i2b,66.57595213472712,2.440000057220459,17,1,\"[(11, 10, 4, 3)]\"\n\"[ 2.21251588 -0.85473248 -0.83880324 -18.23423245 -11.72105077\n -9.40651918 -2.51506814 -1.92258631]\",[-214.78020062],11941,64,Optimization terminated successfully.,True,352,0.2210512870348741,5loh,195.75592326451078,5.039999961853027,35,2,\"[(2, 3, 33, 34), (3, 4, 31, 32)]\"\n\"[ 2.55162318 -1.60341751 0.82485209 26.69386698 3.88422656 39.26560499\n -0.21208544 -1.23068307 -1.72316401 0.93434919 -2.9621834 ]\",[-88.01557936],19404,119,Optimization terminated successfully.,True,269,1.1765974021408285,1vgc,74.38738777248331,5.920000076293945,16,5,\"[(1, 0, 6, 7), (0, 6, 7, 10), (6, 7, 10, 9), (6, 7, 14, 12), (8, 9, 10, 7)]\"\n\"[ 1.29002583 1.51915151 -0.59870673 17.44883311 -44.800094\n 32.08589352 -1.10592531 0.5827985 -0.45442416 -2.69209302\n -0.82573097 -1.65482604 -0.3674079 -3.0910969 0.8102732\n 1.28963535 -1.50053697 -1.15470666 0.10986844 1.05301736\n 1.46256054 -2.98773505 1.21243186 1.24824832 0.56919439\n -3.0941612 1.86700911 -2.26759571 -2.97697778 -3.09385752]\",[-74.89620938],77971,500,Maximum number of iterations has been exceeded.,False,575,3.6690666992156222,2qiq,128.64117038592138,4.099999904632568,45,24,\"[(0, 1, 2, 3), (0, 1, 7, 8), (1, 2, 3, 4), (1, 7, 8, 9), (7, 8, 9, 10), (7, 8, 11, 12), (8, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 16), (13, 14, 18, 19), (14, 18, 20, 21), (18, 20, 21, 22), (20, 21, 22, 23), (20, 21, 27, 28), (21, 22, 23, 24), (21, 27, 29, 30), (27, 29, 30, 31), (29, 30, 31, 32), (39, 38, 30, 29), (30, 31, 32, 33), (31, 32, 33, 34), (32, 33, 34, 35), (33, 34, 35, 36), (40, 39, 38, 30)]\"\n\"[ 1.13573476 -2.10852958 0.14804525 29.46906859 45.6380513 49.0787156\n -3.09834996 2.54698682 -1.95381909 -0.37936275 0.55043258 -0.6093131\n -0.79504999]\",[-145.11377694],72728,453,Optimization terminated successfully.,True,441,2.224430104581521,3tyv,134.38766504704816,8.100000381469727,36,7,\"[(19, 35, 2, 20), (12, 4, 11, 30), (31, 33, 4, 11), (4, 11, 30, 8), (26, 28, 17, 16), (2, 35, 19, 13), (2, 24, 30, 8)]\"\n\"[-4.70001742e-01 -2.64773001e+00 -1.02417940e+00 6.77788872e+00\n 2.82954835e+01 1.05182000e+02 1.51007580e+00 1.81850455e+00\n -1.46449806e+00 7.34245840e-02 -3.01133124e+00]\",-104.8073407484103,60004,387,Optimization terminated successfully.,True,484,3.253024117198446,1ctr,60.858251676889836,6.0,28,5,\"[(1, 0, 24, 25), (4, 13, 14, 15), (13, 14, 15, 16), (17, 16, 15, 14), (18, 17, 16, 15)]\"\n\"[-0.35477821 0.52975564 -0.4405297 -5.55103533 12.99505418 14.56758076\n -0.66102384 0.578415 -0.54280341 0.8893669 -0.55035501 1.98853777\n 1.22163402 -0.58406659 -0.67109339 1.40772251 -0.56117109 1.06903429]\",[-108.77514035],83955,500,Maximum number of iterations has been exceeded.,False,691,4.90405325566972,5o9q,88.72421400642878,5.210000038146973,47,12,\"[(0, 1, 2, 42), (4, 9, 10, 11), (9, 10, 11, 12), (13, 12, 11, 10), (14, 13, 12, 11), (19, 18, 17, 14), (21, 22, 23, 24), (29, 28, 27, 19), (30, 29, 28, 27), (32, 33, 34, 35), (40, 39, 38, 30), (41, 40, 39, 38)]\"\n\"[ 2.15611615 -0.4581458 2.69375748 25.67986451 44.47437248 3.27529102\n -1.78340596 0.52792471 2.32363741 1.2713927 1.07212174 -0.66416427\n 1.50974244 1.25539262 -0.5156218 0.87789444 0.26971393 -2.21286519\n -0.41592976 1.52129537 -2.5746927 -1.57320535 1.01618522 -0.78207622\n -2.90713406 -1.735465 -0.60452372 -1.35520601 -2.4967185 -0.9625191\n 1.6417625 0.62531118 1.83402434 0.56606372 0.29695395 -0.30694328\n 1.32310709 2.92491771 -2.67703525 0.18449511 2.20944784 -2.98308713\n -2.44811268 -1.4524569 -1.66685938 1.6858558 1.10434848 -0.71328445\n -0.13758879 -0.45822335 -2.6600966 -2.86187228 -2.89988882 1.3258174\n -0.39814163 -0.93988166 -0.5072078 ]\",[-84.9389048],87875,500,Maximum number of iterations has been exceeded.,False,994,5.930105567522961,4gy5,102.13055554751504,6.820000171661377,83,51,\"[(0, 1, 2, 3), (1, 2, 5, 6), (2, 5, 6, 7), (5, 6, 7, 8), (5, 6, 9, 10), (6, 7, 16, 17), (6, 9, 10, 11), (9, 10, 11, 12), (10, 11, 12, 13), (7, 16, 17, 18), (16, 17, 18, 19), (16, 17, 20, 21), (17, 18, 23, 24), (18, 23, 24, 25), (23, 24, 25, 26), (23, 24, 27, 28), (24, 25, 32, 33), (24, 27, 28, 29), (27, 28, 29, 30), (28, 29, 30, 31), (25, 32, 33, 34), (32, 33, 34, 35), (32, 33, 36, 37), (33, 34, 41, 42), (33, 36, 37, 38), (36, 37, 38, 39), (34, 41, 42, 43), (41, 42, 43, 44), (41, 42, 45, 46), (42, 43, 48, 49), (43, 48, 49, 50), (48, 49, 50, 51), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 64, 65), (54, 57, 58, 59), (57, 58, 59, 60), (58, 59, 60, 61), (55, 64, 65, 66), (64, 65, 66, 67), (64, 65, 71, 72), (65, 66, 67, 68), (66, 67, 68, 69), (67, 68, 69, 70), (68, 69, 70, 73), (65, 71, 76, 77), (71, 76, 77, 78), (76, 77, 78, 79), (76, 77, 80, 81)]\"\n\"[ 1.75561791 0.11632651 -0.61389884 0.19601988 -6.32412214 1.21244013\n 1.29969647 -0.01163892 2.47496617]\",[-185.23930601],27129,172,Optimization terminated successfully.,True,323,0.40772788212074773,5y5u,164.8416388394474,7.75,29,3,\"[(19, 18, 2, 1), (3, 12, 11, 5), (20, 19, 18, 2)]\"\n\"[-2.12836163 2.65691213 -2.10311588 43.16587273 21.45652048 34.94544001\n -1.29129496 -2.66266699 0.94191856 0.89851506 0.09140672 0.2910124\n 2.34680466 -0.68457687 0.39777716 0.34986775 0.63925929 -2.92320123\n 1.66011032 -1.91360237]\",[-141.51670698],83352,500,Maximum number of iterations has been exceeded.,False,554,4.597290946610825,8cpa,107.15597093940195,9.149999618530273,32,14,\"[(21, 0, 22, 1), (21, 0, 29, 9), (3, 2, 1, 22), (2, 1, 22, 0), (30, 8, 9, 10), (9, 8, 30, 11), (8, 9, 29, 0), (30, 11, 31, 26), (31, 11, 30, 8), (28, 12, 13, 14), (15, 14, 13, 12), (12, 13, 26, 31), (16, 15, 14, 13), (13, 26, 31, 25)]\"\n\"[ -0.55789503 -0.77665707 -2.06505396 -46.7404149 17.67456755\n 12.85737399 0.48239113 -2.68723576]\",[-216.77787585],21892,139,Optimization terminated successfully.,True,338,1.0466809008853708,3qcs,200.38731788595595,6.5,23,2,\"[(3, 7, 5, 1), (11, 19, 8, 3)]\"\n\"[ 0.08298771 0.66739992 0.91915608 41.46117284 12.60885889 14.98477274\n 2.23023712 1.72683974 -2.2086984 1.06358287 0.61749873 2.77204448\n 2.30391754 -0.33527823 -0.13613592]\",[-172.54674439],54474,350,Optimization terminated successfully.,True,483,1.9112477317522558,2f71,155.5090220834417,5.599999904632568,32,9,\"[(5, 4, 1, 0), (6, 5, 4, 1), (12, 13, 19, 20), (10, 14, 15, 16), (14, 15, 16, 17), (13, 19, 21, 22), (23, 22, 21, 19), (24, 23, 22, 21), (24, 25, 26, 27)]\"\n\"[ 1.88213791 1.17273135 -0.82165306 -27.98648697 83.23862614\n 11.04268275 1.16818893 -1.09299201 -1.39510935]\",[-74.2857531],16562,103,Optimization terminated successfully.,True,340,1.1306657941206852,3zxr,57.22073165029748,7.699999809265137,25,3,\"[(5, 4, 1, 0), (9, 8, 7, 6), (16, 15, 14, 5)]\"\n\"[-1.16480629 0.72268051 -0.58925416 25.75487446 67.75074317 20.37994331\n 0.65482245 -1.18380992 -1.75359472 1.29253273 0.88026861]\",-168.56183783793938,48762,314,Optimization terminated successfully.,True,425,1.2004975290259678,3l17,148.65256737092676,8.279999732971191,34,5,\"[(10, 9, 0, 1), (16, 15, 2, 1), (24, 23, 7, 6), (25, 24, 23, 7), (26, 27, 30, 31)]\"\n\"[ 2.66896682 2.14257606 2.59065295 -1.63968392 -1.50617287 3.2196531\n 0.25998253 2.31741641 2.718399 -2.1189314 0.86586287 1.40063602\n -2.42720821]\",[-83.36918246],42018,260,Optimization terminated successfully.,True,355,2.118842570305848,3nex,61.11328647007838,6.0,28,7,\"[(7, 6, 5, 0), (8, 7, 6, 5), (15, 14, 13, 8), (16, 15, 14, 13), (18, 22, 23, 24), (22, 23, 24, 25), (23, 24, 25, 26)]\"\n\"[-1.4248222 -1.12308913 -0.68307311 20.72465737 16.56179712 33.84212923\n 3.08863816 -0.10375259 -3.0060676 -0.97462757]\",[-86.82406183],47969,313,Optimization terminated successfully.,True,347,1.1614351092120492,3f8s,70.31837362041469,7.889999866485596,26,4,\"[(4, 6, 7, 8), (10, 9, 7, 6), (15, 14, 13, 11), (21, 20, 17, 16)]\"\n\"[-0.86413883 1.96316796 -2.07015856 23.43479602 46.3769641 99.1181082\n -1.3405191 -0.91132215 -1.9794103 1.71214532 -2.29771903 -0.12906388\n -3.0502213 0.82310155 2.02868972 2.53969458 -2.4565716 0.26370512\n 1.15902542 -2.43983628 2.40247232]\",[-71.08616788],85048,500,Maximum number of iterations has been exceeded.,False,323,2.5037893831173084,2j83,89.46062533394883,4.210000038146973,32,15,\"[(2, 0, 1, 23), (1, 0, 2, 30), (1, 0, 7, 8), (0, 1, 23, 27), (3, 30, 2, 0), (4, 3, 30, 2), (0, 7, 8, 9), (0, 7, 12, 24), (7, 8, 9, 10), (7, 12, 24, 13), (16, 13, 14, 25), (17, 16, 13, 14), (14, 13, 24, 12), (13, 14, 25, 15), (18, 17, 16, 13)]\"\n\"[ 1.37192246e+00 -5.80272878e-03 -2.90506688e+00 2.03501235e+01\n 5.12348919e+00 2.81521560e+01 -9.54290379e-01 6.29949386e-01\n 2.59528268e+00 -1.47271655e+00 -2.28804626e+00 4.79427408e-02\n 2.24936172e+00 -3.43690386e-01 2.21247535e+00 2.85916046e+00\n 3.10587410e-03 1.02968233e+00 -1.93153815e+00 1.88238304e-01\n 1.97361078e+00 -2.81655134e+00 -1.72177543e+00 1.38725475e+00\n -5.00814201e-01 9.82239013e-01]\",[-81.48441306],80856,500,Maximum number of iterations has been exceeded.,False,439,5.530377125709654,11gs,108.1369197335712,5.820000171661377,39,20,\"[(0, 1, 5, 6), (0, 1, 2, 4), (1, 5, 6, 7), (5, 6, 7, 9), (6, 7, 9, 10), (7, 9, 10, 13), (9, 10, 13, 14), (9, 10, 11, 15), (10, 11, 15, 16), (10, 13, 14, 32), (13, 14, 32, 29), (11, 15, 16, 17), (15, 16, 17, 19), (26, 20, 21, 33), (20, 21, 33, 34), (23, 24, 27, 29), (24, 27, 29, 32), (27, 29, 32, 14), (27, 29, 30, 31), (21, 33, 34, 36)]\"\n\"[ -2.60824203 1.31426024 -1.65181871 18.10283354 -18.13380684\n -16.37676062 -0.24498517 -0.66358902 0.3758877 -1.18781414\n 0.20512731 1.03735073 1.68826309 -2.0850541 0.26701921\n -1.84282654 1.53533241 0.57741909]\",[-84.0960502],81922,500,Maximum number of iterations has been exceeded.,False,588,2.426422578094145,5ubg,78.36756721981209,5.170000076293945,44,12,\"[(0, 1, 4, 5), (1, 4, 5, 6), (4, 5, 8, 9), (5, 8, 9, 10), (8, 9, 12, 13), (14, 13, 12, 9), (15, 14, 13, 12), (22, 21, 20, 15), (32, 31, 30, 26), (34, 37, 38, 39), (37, 38, 39, 40), (38, 39, 40, 41)]\"\n\"[ 1.78840451e+00 -1.29042162e+00 -1.30083562e+00 -5.11245723e+01\n 7.71686483e+01 4.30425313e+01 -2.48538544e+00 -9.57976905e-01\n 2.08005979e+00 1.37733659e+00 2.42008412e+00 3.12850946e+00\n -7.29207551e-01 2.81275320e+00 -4.34049593e-02 -1.87863660e-01\n 1.30947736e+00 2.87831912e+00 -2.84613182e+00 2.25575991e+00\n -1.72240683e+00 -1.15302794e+00 1.65393285e+00 2.14082715e+00\n 3.32210135e-01 3.51132832e-01 1.47594186e+00 -4.76801493e-01\n -1.41498673e+00 -1.01940576e+00 1.64340401e+00 -1.51490626e+00\n -1.00505123e+00 -3.85162629e-01 2.01464887e+00 -1.17373493e+00\n 2.64690672e+00 -1.96057643e+00 -2.67528825e-01 4.38576021e-01\n -3.00006077e-01 2.37342740e-01 1.50138312e+00 -1.39593674e+00\n -7.83502513e-01]\",[-53.2341921],95102,500,Maximum number of iterations has been exceeded.,False,1037,6.818567776770982,5c7e,40.628268818940995,5.0,66,39,\"[(0, 1, 2, 3), (0, 1, 4, 5), (1, 2, 6, 7), (2, 6, 7, 8), (6, 7, 8, 9), (7, 8, 11, 12), (8, 11, 12, 13), (11, 12, 13, 14), (11, 12, 15, 16), (12, 13, 18, 19), (13, 18, 19, 20), (18, 19, 20, 21), (18, 19, 22, 23), (19, 20, 27, 28), (19, 22, 23, 24), (22, 23, 24, 25), (20, 27, 28, 29), (27, 28, 29, 30), (27, 28, 31, 32), (28, 29, 35, 36), (28, 31, 32, 33), (29, 35, 36, 37), (35, 36, 37, 38), (36, 37, 40, 41), (37, 40, 41, 42), (40, 41, 42, 43), (40, 41, 44, 45), (41, 42, 48, 49), (41, 44, 45, 46), (42, 48, 49, 50), (48, 49, 50, 51), (49, 50, 53, 54), (50, 53, 54, 55), (53, 54, 55, 56), (53, 54, 57, 58), (54, 55, 61, 62), (54, 57, 58, 59), (55, 61, 62, 63), (61, 62, 63, 64)]\"\n\"[ 2.5263082 0.81863608 -1.83403769 36.13514322 22.69244779 8.68485826\n 1.19280345 1.54880273 1.27428595 -1.70453364]\",[-38.36317888],33254,216,Optimization terminated successfully.,True,118,1.5118349209016755,2ha4,28.07475901044274,2.700000047683716,10,4,\"[(7, 0, 1, 2), (0, 1, 2, 3), (1, 2, 3, 4), (2, 3, 4, 5)]\"\n\"[ 0.62494883 -2.13889 -0.16913982 8.23452798 15.81772422 26.94270084\n 2.35837458 2.42629182 -1.18397339 0.18685974 0.06241357 0.09266665]\",[-87.33757133],33631,209,Optimization terminated successfully.,True,434,1.7320171126647268,5vse,86.89241050921868,5.96999979019165,29,6,\"[(23, 25, 2, 1), (5, 9, 24, 8), (4, 16, 24, 8), (13, 21, 27, 10), (14, 22, 28, 11), (2, 25, 23, 17)]\"\n\"[-1.03617033 3.12009069 -3.07112484 21.0720182 37.25820486 43.42571428\n -1.73976422 -2.57216145 0.25384535]\",-141.25339046251568,17040,109,Optimization terminated successfully.,True,383,0.5123608347279083,3udq,128.79239840086825,6.0,30,3,\"[(3, 6, 8, 10), (16, 18, 8, 6), (17, 16, 18, 8)]\"\n\"[ 0.98942574 -0.88878333 1.57968736 9.12621116 12.65850614 2.44357886\n 0.2010097 -0.08618222 2.89380675 -0.77360639 2.4685265 ]\",[-57.95160063],40016,253,Optimization terminated successfully.,True,144,1.3058009814388198,3kiv,44.60851182682555,4.699999809265137,9,5,\"[(2, 0, 3, 4), (0, 3, 4, 5), (3, 4, 5, 6), (4, 5, 6, 7), (5, 6, 7, 8)]\"\n\"[ 2.41038358 -0.24240492 -1.98236342 24.17125985 11.66254756 36.12238575\n 0.26414321]\",[-83.55287743],7094,42,Optimization terminated successfully.,True,247,0.10261949652660807,1ykp,66.75974252788498,2.9600000381469727,11,1,\"[(1, 0, 8, 9)]\"\n\"[ -1.93130453 -0.29593199 -0.31755579 -18.19858065 63.21281846\n -26.1442301 -2.58626347 -0.81161268 -0.32062317 0.14964241\n -1.72975755 -0.60852509 0.54732921]\",[-119.24527482],17348,105,Optimization terminated successfully.,True,246,1.7987766163133532,4mwq,110.46016854367434,9.100000381469727,20,7,\"[(4, 3, 0, 1), (5, 6, 7, 8), (6, 7, 8, 9), (6, 11, 13, 14), (11, 13, 14, 15), (13, 14, 15, 18), (13, 14, 16, 17)]\"\n\"[ 2.65544436 -0.24793595 -2.44736608 -19.20279394 109.64758551\n 42.73184175 -2.59961775 1.02870233]\",[-48.81314426],17788,112,Optimization terminated successfully.,True,317,1.1110725328584126,2j3q,38.496340115678564,6.150000095367432,20,2,\"[(1, 0, 16, 17), (7, 6, 3, 2)]\"\n\"[-2.54712176 1.10798963 1.83745244 5.6243978 -6.28828563 13.89172932\n -3.0753767 1.79582854 -0.50669231 2.38790656 1.80016006]\",[-197.95557778],45242,286,Optimization terminated successfully.,True,341,1.035261490869029,5tq5,214.21266785786196,7.230000019073486,28,5,\"[(1, 6, 3, 13), (8, 5, 21, 7), (15, 19, 7, 20), (5, 21, 7, 19), (0, 11, 10, 9)]\"\n\"[-0.82420552 -2.71871351 2.38226021 -3.12329126 -7.37392823 23.69759463\n -2.73079209 0.04162392 2.04315851 -0.96130766 -0.43510125 -2.81077305\n 2.91492782 -0.20893991 0.08780492 -0.29975461 0.6871519 -0.92904976\n -1.69543554 -2.22067175]\",[-119.58117986],72358,441,Optimization terminated successfully.,True,421,3.984627040075933,3bcn,68.87732042194472,7.119999885559082,25,14,\"[(1, 0, 3, 4), (0, 3, 4, 5), (3, 4, 6, 7), (4, 6, 8, 9), (6, 8, 9, 10), (8, 9, 10, 11), (8, 9, 14, 15), (9, 10, 11, 12), (9, 14, 16, 17), (14, 16, 17, 18), (16, 17, 18, 19), (17, 18, 19, 20), (18, 19, 20, 21), (19, 20, 21, 22)]\"\n\"[-1.1694277 1.71367926 2.02678173 12.7065317 -7.90472922 11.58873069\n 1.74748213 3.09044747 -0.36174676 -1.7237058 ]\",-210.59417669059198,20481,134,Optimization terminated successfully.,True,329,1.1450861649151047,1oit,201.35876470675066,8.520000457763672,26,4,\"[(1, 9, 8, 7), (13, 23, 12, 0), (12, 23, 13, 14), (16, 17, 19, 20)]\"\n\"[ -1.11110152 -2.0562916 -1.09413631 -21.41628598 -35.49400252\n -5.11155459 -0.60764538 1.37415568 -2.46584297 -2.03918159]\",-149.22357264645194,37131,245,Optimization terminated successfully.,True,422,1.737219340923054,4j0y,152.14276591517674,6.360000133514404,27,4,\"[(2, 3, 16, 17), (7, 9, 5, 4), (18, 17, 16, 3), (20, 18, 17, 16)]\"\n\"[ 2.77390558e+00 -3.10127182e+00 3.34007892e-01 -6.02911570e+00\n 3.47817353e+01 1.08386514e+02 -3.53944370e-01 -1.91193444e+00\n 2.95340439e+00 -1.25281364e+00 -1.03834886e-01 3.09193328e+00\n -1.31460885e+00 2.12052017e+00 -2.88469484e+00 -2.95146281e+00]\",[-197.25249708],83084,500,Maximum number of iterations has been exceeded.,False,518,2.596561651102577,6mwe,253.20145271665064,9.199999809265137,41,10,\"[(24, 25, 0, 1), (11, 12, 33, 34), (18, 31, 14, 13), (14, 31, 18, 17), (16, 21, 29, 28), (23, 22, 37, 38), (23, 24, 27, 28), (24, 27, 28, 29), (21, 29, 28, 27), (12, 33, 35, 36)]\"\n" }, { "path": "Validation_Docking/Docking_CASF2016_CoreSet.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [16:13:50] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n }\n ],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import torch.distributions as D\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"from rdkit import Chem, DataStructs\\n\",\n \"from rdkit.Chem import AllChem, Draw, Descriptors, rdMolTransforms\\n\",\n \"from rdkit import rdBase\\n\",\n \"import glob\\n\",\n \"import os\\n\",\n \"\\n\",\n \"from deepdock.utils.distributions import *\\n\",\n \"from deepdock.utils.data import *\\n\",\n \"from deepdock.models import *\\n\",\n \"\\n\",\n \"from deepdock.DockingFunction import optimze_conformation\\n\",\n \"from scipy.optimize import basinhopping, brute, differential_evolution\\n\",\n \"import copy\\n\",\n \"\\n\",\n \"# set the random seeds for reproducibility\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\\n\",\n \"torch.manual_seed(123)\\n\",\n \"\\n\",\n \"%matplotlib inline\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Complexes in CASF2016 Core Set: 285\\n\",\n \"CPU times: user 141 ms, sys: 42.4 ms, total: 183 ms\\n\",\n \"Wall time: 185 ms\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"db_complex = PDBbind_complex_dataset(data_path='../data/dataset_CASF-2016_285.tar', \\n\",\n \" min_target_nodes=None, max_ligand_nodes=None)\\n\",\n \"print('Complexes in CASF2016 Core Set:', len(db_complex))\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 3,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"#device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"device = 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\\n\",\n \"\\n\",\n \"checkpoint = torch.load('../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk')\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \" data = next(iter(loader))\\n\",\n \" dist_threshold=3.\\n\",\n \" popsize=150\\n\",\n \" np.random.seed(123)\\n\",\n \" torch.cuda.manual_seed_all(123)\\n\",\n \" torch.manual_seed(123)\\n\",\n \" \\n\",\n \" model.eval()\\n\",\n \" ligand, target, activity, pdbid = data\\n\",\n \" ligand, target = ligand.to(device), target.to(device)\\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\\n\",\n \" \\n\",\n \" pdb_id = pdbid[0]\\n\",\n \" real_mol = Chem.MolFromMol2File('../../DeepDock/data/CASF-2016/coreset/' + pdb_id + '/' + pdb_id +'_ligand.mol2',\\n\",\n \" sanitize=False, cleanupSubstructures=False, removeHs=False)\\n\",\n \" opt = optimze_conformation(mol=real_mol, target_coords=target.pos.cpu(), n_particles=1, \\n\",\n \" pi=pi.cpu(), mu=mu.cpu(), sigma=sigma.cpu(), dist_threshold=dist_threshold)\\n\",\n \" \\n\",\n \" #Define bounds\\n\",\n \" max_bound = np.concatenate([[np.pi]*3, target.pos.cpu().max(0)[0].numpy(), [np.pi]*len(opt.rotable_bonds)], axis=0)\\n\",\n \" min_bound = np.concatenate([[-np.pi]*3, target.pos.cpu().min(0)[0].numpy(), [-np.pi]*len(opt.rotable_bonds)], axis=0)\\n\",\n \" bounds = (min_bound, max_bound)\\n\",\n \" \\n\",\n \" # Optimize conformations\\n\",\n \" result = differential_evolution(opt.score_conformation, list(zip(bounds[0],bounds[1])), maxiter=500, \\n\",\n \" popsize=int(np.ceil(popsize/(len(opt.rotable_bonds)+6))), \\n\",\n \" mutation=(0.5, 1), recombination=0.8, disp=False, seed=123)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"def dock_compound(data, dist_threshold=3., popsize=150):\\n\",\n \" np.random.seed(123)\\n\",\n \" torch.cuda.manual_seed_all(123)\\n\",\n \" torch.manual_seed(123)\\n\",\n \" \\n\",\n \" model.eval()\\n\",\n \" ligand, target, activity, pdbid = data\\n\",\n \" ligand, target = ligand.to(device), target.to(device)\\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\\n\",\n \" \\n\",\n \" pdb_id = pdbid[0]\\n\",\n \" real_mol = Chem.MolFromMol2File('../../DeepDock/data/CASF-2016/coreset/' + pdb_id + '/' + pdb_id +'_ligand.mol2',\\n\",\n \" sanitize=False, cleanupSubstructures=False, removeHs=False)\\n\",\n \" opt = optimze_conformation(mol=real_mol, target_coords=target.pos.cpu(), n_particles=1, \\n\",\n \" pi=pi.cpu(), mu=mu.cpu(), sigma=sigma.cpu(), dist_threshold=dist_threshold)\\n\",\n \" \\n\",\n \" #Define bounds\\n\",\n \" max_bound = np.concatenate([[np.pi]*3, target.pos.cpu().max(0)[0].numpy(), [np.pi]*len(opt.rotable_bonds)], axis=0)\\n\",\n \" min_bound = np.concatenate([[-np.pi]*3, target.pos.cpu().min(0)[0].numpy(), [-np.pi]*len(opt.rotable_bonds)], axis=0)\\n\",\n \" bounds = (min_bound, max_bound)\\n\",\n \" \\n\",\n \" # Optimize conformations\\n\",\n \" result = differential_evolution(opt.score_conformation, list(zip(bounds[0],bounds[1])), maxiter=500, \\n\",\n \" popsize=int(np.ceil(popsize/(len(opt.rotable_bonds)+6))),\\n\",\n \" mutation=(0.5, 1), recombination=0.8, disp=False, seed=123)\\n\",\n \" \\n\",\n \" # Get optimized molecule and RMSD\\n\",\n \" opt_mol = opt.apply_changes(opt.mol, result['x'])\\n\",\n \" ligCoords = torch.stack([torch.tensor(m.GetConformer().GetPositions()[opt.noHidx]) for m in [opt_mol]])\\n\",\n \" dist = opt.compute_euclidean_distances_matrix(ligCoords, opt.targetCoords).flatten().unsqueeze(1)\\n\",\n \" result['num_MixOfGauss'] = torch.where(dist <= dist_threshold)[0].size(0)\\n\",\n \" result['rmsd'] = Chem.rdMolAlign.AlignMol(opt_mol, real_mol, atomMap=list(zip(opt.noHidx,opt.noHidx)))\\n\",\n \" result['pdb_id'] = pdb_id\\n\",\n \" \\n\",\n \" # Get score of real conformation\\n\",\n \" ligCoords = torch.stack([torch.tensor(m.GetConformer().GetPositions()[opt.noHidx]) for m in [real_mol]])\\n\",\n \" dist = opt.compute_euclidean_distances_matrix(ligCoords, opt.targetCoords).flatten().unsqueeze(1)\\n\",\n \" score_real_mol = opt.calculate_probablity(opt.pi, opt.sigma, opt.mu, dist)\\n\",\n \" score_real_mol[torch.where(dist > dist_threshold)[0]] = 0.\\n\",\n \" result['score_real_mol'] = pdb_id = score_real_mol.reshape(opt.n_particles, -1).sum(1).item()\\n\",\n \" del ligCoords, dist, score_real_mol\\n\",\n \" \\n\",\n \" result['pkx'] = data[2][0].item()\\n\",\n \" result['num_atoms'] = real_mol.GetNumHeavyAtoms()\\n\",\n \" result['num_rotbonds'] = len(opt.rotable_bonds)\\n\",\n \" result['rotbonds'] = opt.rotable_bonds\\n\",\n \" #result['num_MixOfGauss'] = mu.size(0)\\n\",\n \" \\n\",\n \" return result\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"CPU times: user 1d 12h 54min 3s, sys: 46min 14s, total: 1d 13h 40min 18s\\n\",\n \"Wall time: 9h 59min 55s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"loader = DataLoader(db_complex, batch_size=1, shuffle=False)\\n\",\n \"\\n\",\n \"results = []\\n\",\n \"i = 0\\n\",\n \"for data in loader:\\n\",\n \" try:\\n\",\n \" results.append(dock_compound(data))\\n\",\n \" d = {}\\n\",\n \" for k in results[0].keys():\\n\",\n \" if k != 'jac':\\n\",\n \" d[k] = tuple(d[k] for d in results)\\n\",\n \" torch.save(d, 'DockingResults_CASF2016_CoreSet.chk')\\n\",\n \" results_df = pd.DataFrame.from_dict(d)\\n\",\n \" results_df.to_csv('DockingResults_CASF2016_CoreSet.csv', index=False) \\n\",\n \" i += 1\\n\",\n \" except:\\n\",\n \" print(i, data[3])\\n\",\n \" #break\\n\",\n \" i += 1\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/html\": [\n \"
\\n\",\n \"\\n\",\n \"\\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \"
xfunnfevnitmessagesuccessnum_MixOfGaussrmsdpdb_idscore_real_molpkxnum_atomsnum_rotbondsrotbonds
0[1.5063067262725696, 0.2133704428551216, 1.508...[-70.16544231921738]38392237Optimization terminated successfully.True4092.0997274k1864.253744NaN295[(7, 6, 5, 0), (8, 7, 6, 5), (11, 13, 16, 17),...
1[-3.131853024748477, -0.7319495938580236, 3.08...[-97.24881673780266]1574798Optimization terminated successfully.True3751.2932884qac83.284421NaN243[(8, 7, 6, 0), (15, 14, 13, 8), (16, 17, 18, 19)]
2[-2.837375698413872, 1.920415677247661, -2.234...[-168.15472849991892]22725144Optimization terminated successfully.True2621.4633001o3f187.713267NaN253[(1, 0, 6, 7), (13, 12, 11, 9), (20, 19, 16, 15)]
3[1.7394099202246427, -2.889091892409308, 0.394...[-46.61066364180717]1359485Optimization terminated successfully.True2341.2071224ih735.630420NaN172[(8, 7, 6, 1), (10, 12, 13, 14)]
4[0.2800270507037714, -1.9041352450017086, 1.38...[-63.59384324866685]799245Optimization terminated successfully.True1650.0002043dx149.944775NaN90[]
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" x fun \\\\\\n\",\n \"0 [1.5063067262725696, 0.2133704428551216, 1.508... [-70.16544231921738] \\n\",\n \"1 [-3.131853024748477, -0.7319495938580236, 3.08... [-97.24881673780266] \\n\",\n \"2 [-2.837375698413872, 1.920415677247661, -2.234... [-168.15472849991892] \\n\",\n \"3 [1.7394099202246427, -2.889091892409308, 0.394... [-46.61066364180717] \\n\",\n \"4 [0.2800270507037714, -1.9041352450017086, 1.38... [-63.59384324866685] \\n\",\n \"\\n\",\n \" nfev nit message success num_MixOfGauss \\\\\\n\",\n \"0 38392 237 Optimization terminated successfully. True 409 \\n\",\n \"1 15747 98 Optimization terminated successfully. True 375 \\n\",\n \"2 22725 144 Optimization terminated successfully. True 262 \\n\",\n \"3 13594 85 Optimization terminated successfully. True 234 \\n\",\n \"4 7992 45 Optimization terminated successfully. True 165 \\n\",\n \"\\n\",\n \" rmsd pdb_id score_real_mol pkx num_atoms num_rotbonds \\\\\\n\",\n \"0 2.099727 4k18 64.253744 NaN 29 5 \\n\",\n \"1 1.293288 4qac 83.284421 NaN 24 3 \\n\",\n \"2 1.463300 1o3f 187.713267 NaN 25 3 \\n\",\n \"3 1.207122 4ih7 35.630420 NaN 17 2 \\n\",\n \"4 0.000204 3dx1 49.944775 NaN 9 0 \\n\",\n \"\\n\",\n \" rotbonds \\n\",\n \"0 [(7, 6, 5, 0), (8, 7, 6, 5), (11, 13, 16, 17),... \\n\",\n \"1 [(8, 7, 6, 0), (15, 14, 13, 8), (16, 17, 18, 19)] \\n\",\n \"2 [(1, 0, 6, 7), (13, 12, 11, 9), (20, 19, 16, 15)] \\n\",\n \"3 [(8, 7, 6, 1), (10, 12, 13, 14)] \\n\",\n \"4 [] \"\n ]\n },\n \"execution_count\": 6,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"\\n\",\n \"\\n\",\n \"\\n\",\n \"\\n\",\n \"[if isinstance(r, list): -r[0] else -r for r in results_df.fun]\\n\",\n \"\\n\",\n \"results_df.head()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 38,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"(array([78., 49., 28., 20., 15., 7., 12., 8., 4., 4.]),\\n\",\n \" array([ 28. , 74.8, 121.6, 168.4, 215.2, 262. , 308.8, 355.6, 402.4,\\n\",\n \" 449.2, 496. ]),\\n\",\n \" )\"\n ]\n },\n \"execution_count\": 38,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"plt.hist(results_df['nit'][results_df.success == True])\\n\",\n \"#plt.hist(results_df['nit'][results_df.success == False])\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 49,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"(array([34., 27., 53., 43., 39., 13., 2., 7., 3., 4.]),\\n\",\n \" array([6.74349576e-07, 4.56029868e-01, 9.12059061e-01, 1.36808825e+00,\\n\",\n \" 1.82411745e+00, 2.28014664e+00, 2.73617584e+00, 3.19220503e+00,\\n\",\n \" 3.64823422e+00, 4.10426342e+00, 4.56029261e+00]),\\n\",\n \" )\"\n ]\n },\n \"execution_count\": 49,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"plt.hist(results_df['rmsd'][results_df.success == False])\\n\",\n \"plt.hist(results_df['rmsd'][results_df.success == True])\\n\",\n \"#plt.hist(results_df['rmsd'][results_df.success == False])\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 40,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Mean RMSD of all compounds: 1.8683920926018736\\n\",\n \"Mean RMSD of compounds with succesful optimization: 1.4235487671127272\\n\"\n ]\n }\n ],\n \"source\": [\n \"print('Mean RMSD of all compounds:', results_df.rmsd.mean())\\n\",\n \"print('Mean RMSD of compounds with succesful optimization:', results_df[results_df.success == True].rmsd.mean())\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 24,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 24,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": \"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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(norm_scores, results_df[results_df.success == True].pkx)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 26,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 26,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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/B4g3IBeDPx3ydWQrDivfM4m9kBfwQeKp7fHTae3qNvf4p8GMW/3Ll1u7cHcD7u+e/w+JfpCwA3wXeMfK5t3afd5Az9C+vJrln4K+B/x75uT4FnD/t/azmz3jka8x8GPyXz5Kkhn+VJElqGAZJUsMwSJIahkGS1DAMkqSGYZAkNQyDJKlhGCRJjf8FFDYZsBaypoYAAAAASUVORK5CYII=\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(norm_scores, results_df[results_df.success == True].pkx)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 27,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 27,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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B2mjqJLZiBTzooLdA3a88SW5Gu9ZesYHTzRN0gbTu1ekBTOKV6Kl0bJ6bdrjwNZfQ/qz1LbIu8vGr1xJa+E+mFQp/Zd2p0zfK6AUhoP5jFdKb4sd9bzO3b9qe25xHbBjGzfer0348tfSfSC5UO9l7BbHav1tkt/Gb3aq39N3rJq3wDlLNIV4zpO5Fuq3SwB59g1myv1n4ESgWz5mIbixDphcoH+3Vju+tq0Vx97lJuGFmZ6zVi26tVwaw5z/SdSFFUeoB23dhubt+2v64Wze3b9rNubHefe9aZ2AZWY6MNQyQGvS5pUukz+zu3H8hsz3N2H9v8b8+B1ZgGnj2VcSxCiqMfq9MrHey95qPHOP/bI5jFWGNHpAz6MSOs0mmcrBWleVealnX+d2wbqYuURT8mURT6zL7Ts8Wrz12aOh/96nOXpjy6udjmf3ucSfdiI3Wd3UsV9WMSRWHP7D3OFm8YWclnzzvl7TP5ATM+e94puWfjePEqYOZ1Ju21wtjrfUFcdfpF2tWPSRSFPbP3Olu8YWRl34J7I68CZl6fjdcURa/3pZLLUhb9WJ1e2GBfxoVDXgPGnnviQudfSK/3pXSQlEmvZ4QVNtjHtnmJh6GM95S3gNnx8wdTF3QdPz//VFCPL6TX+/I8wHv93mP6/og0U9ic/eia5QzOq08DDM6zwm9e0ul7AnjzrfT9YrLau80rP+m5sbvH7z22749IM4UN9gA0pnzzpYCj3ImpMbWRN9UB8PrUkVzt3ea1YjW2jd1j/P6IZClsGmfT1r11i5gApqZDrvxtbHn/DVv20FBPjSOBvhVUg7gWecW2sXts3x+RZgob7D3+o8VWMMyroNo846iDxmx7HjHOfolpY/fYvj8izRQ2jeORv83azCPvJh+xSQv0zdqzlDVN4ZUOUsE5KZLCBnuP/2g/evxgrvZuyyqclregmte2hJ6LoWIysmqIK84eqltMd8XZ+a8YVD1TiqSwaRyP/G1apcpm7d22/pIV/MndE0zXnIIPzMtfUM1rW0KvxVCxGds1yT07JutKW9+zY5LhUxe1FfAV3KUIChvsIa7/aNfc8lMeeeaVt39efdoi7vijD+V+ndAQXBt/bsUPJ9KvTH44cTDXamGvxVCx0eIsqaLCpnE8HDeY/vaz2rM0BnqAR555hWtu+Wmu17n+vvTZONfftyfX63gN9Hqlgzx51MbRLBqpokoH+2OPGcjVnqUx0M/VniW2tFJsA5BjuyYZ3TxRt4hpdPNE3wq8eVFxN+mFSgf7wxlnulntReE10DuyaoizTjm+ru2sU47vW6rj+vv2pK6tyHvlE9NBTKtwpVcqHewXZAS/rPZuW5BRuyarPcv6S1YwONBQdqGNnbPWje1OTU/1a49eryufmGbRlHV6q8Sn0AO0ncoaZ8w7/rj6tEWpKZvVpy3K9TobLl3B6N0TTNUk7gfnGRsuzRekvVaaeu3RG6NYBvc1fiC9Uulg75XGueOPPuQyG2dk1RDjz7/CndsPMB0CA2b8q3OW9q08QWyzcRZkVPPMe+UTE63ClV6pdLD3/I/WzjTLRmO7Jrnr0QN187/vevRAW/O/PXjOs/eoseN15RMTrw1iROZS6Zy9V0lhLxu27KkLZABTRwIbtuQbgPSStRdv3j16vQYhR1YNsekzDRu7fyb/xu4xiWn8QMptzjN7M7sV+CTwcgjhnyVti4C7gGXAc8CVIYRXzcyA/wpcDLwOfD6EsLM7XXfSYZlkT17z473cMLKSZw/96qj0VN58veciplhy7Z7K+J4kPq2c2X8buLChbS3wYAjhdODB5GeAi4DTkz/XATf5dLM7mpVJziu2udIe/RnbNcnO/Yfr2nbuP5z7tTQIKZ2I7f9WUc0Z7EMIPwEap5pcBtyW3L4NGKlp/06YsQ1YYGZLvDrrzSsIeaUpvObHe/XHa1pgbIuYpDi0DsFPuzn7E0MIswVYXgROTG4PAbXz9V5I2qLkNc/eKyhmzYPPOz/eqz9eB8OYFjFJsWgdgp+OB2jDTKWu3HPxzOw6Mxs3s/FDhw512o22/GYqfU/WrPYsXkHx7vGjK1U2a8/iVZrY64zcq6RwjJRi6C6lAP20G+xfmk3PJH+/nLRPArVTNU5O2o4SQrg5hDAcQhhevLg/m4W8kbEna1Z7Fq+g6FVjJ2tqZN4pk15n5FklhYseGJVi6D6lAP20G+y3ANcmt68FflDT/jmbcR5wuCbd4y6Ws6rYdrzyWgzldUbueSkey+8clGLoBaUA/bQy9fJO4KPACWb2ArAe2Ah8z8y+CDwPXJk8/H5mpl3uY2bq5Re60Gcgrv1RH/5Zehoqq73bvFaaem3y4T0Q7vE791jkpRRD93mV/pAWgn0I4eqMuz6e8tgAfKnTTrXCY+62V1D0+k8/OA/SMkg5y+szNZ2ehspqz+I1P95rpbJXf7wOGip10Btah+CjsCtoPQLsJ89InxWa1Z7FK6+YNVSQcwiBX7+ZPsCc1Z7F6yDmlebyGnj2Sr8oxSBFUthg7xFgvdIvXmUXsoZP+7Wo9/iMK5ys9izNtknMw2vg2esgplIHUiSFLYTmUUDKM+faePKd82QcyJ6/2q8dX998K/1KIKs9i1cZCK+BZ8/0i1IMUhSFPbP3OKvyOnO9/r49TDcUMJs+kn8Hpdi8npE/ymrvttimlIoUSWHP7KHzs6qsGJG3gm9se8fGZuFxg6mfRd4yEJ5TSkEzPKRaCh3sO/VaRjDOaq+aeQZHUuLovJwHw/WXrGB080Rd0bl2tkn0OmiA0i9SPZUO9l6529h2UBrKeF9DOd9XWqBv1p7F60zaq7xFWXmsHZDyqnSw99ol6JNnLOH2bUfXr8k7hdOL1/vyOmiAz5m0V3mLMoppkaHEqbADtND50nmvqXNeUzi9xhC8yhxoILM4VLpB5lLYM3uvMxmPM06vxT7XnHtK6hXCNeeekut1vMocxDaQ6ZmzLxuVbpC5FPbMXmcy2Tw/m/HnX+HFw78hAC8e/g3jz+erwDnLo4DZ+ktWMDjQsHitjYFer/7ERNUhZS6FDfZlPJO5I+Wsvll7Fq/PZt3Ybm7ftr/uCuH2bftZN7Y71+t4bjh+zrKFdW3nLFvYVhG0spUmVspN5lLYYB/TmYzXYh+vFbRen82d2w/kas/idaWxbmz3UbX9H3nmldwHnzJeFap0g8ylsMF+dM3y1Ev6djbW6PRy/upzl+Zq7zavszyvRUxeVxpeB58yXhXCTMB/ZO35PLvxEzyy9nwFeqlT2GAPHH3Km/MU2OtyfvjURbnas7z72IFc7Vm8zvK8rli89vr1rI2Tp12kDAob7Ddt3ctUw+qeqSMh16W41+X8hi3pNXCy2rN86qz0YJzV3ozHWZ7XFUtWLM4Zo90OPrHtLCbSC4UN9h6X4l6X815VHb1KAYNPemr41EVHfUHmkf+K5XDG55DVnsXr4BPbzmIivVDYYP87Gds3ZbWnie1y3uugMbZrktHNE3XpqdHNE7kD/qate1NLN+e98vH6nG8YWcnq0+oPNKtPW8QNIytzvU5Zc/YizRQ22P/2rfQl8lntabwu57MW9fRrsc/19+2pKzoGMDWdv+Sy12IxrwHjsV2T7Nx/uK5t5/7DuQ9isR3kRXqhsMHeo0iXV9rEa7GP105VXiWXvXLkXgPG2k5QpH2FLZfgwStt4lVWILadqrxmv4BPWQrP7QQhnjIQIr1Q6WDvKab66F4llz2rXnrQdoIi7StsGsfDu45Jf/tZ7d3mlcbZcOmK1Fk0Gy7Nl1Za9rvpQTSrvduUfhFpX6XP7D0GeWetG9vNndsPMB0CA2Zcfe7S3LNEPNM4AwPGkZpB2oGBvIcM2PbzV3O1d5vSLyLtK2ywHzBLzR3nHTz0MFswbNZswTAgd8D3sGnr3tTZOJu27s0VGD1z9l6UfhFpT2HTODHVo/Gq2eLFayDTazaOiPRfYYP98KmLGGjY+XpgnuVa3emVI4/tDNhrHnlMB1QR6Uxhg/2mrXuZbphUP52zNk5sUx29Fmd5DWTeMLKSz553St32hp8975S+pKZEpDOFzdl7pCq8trkz0g8Qea8QPvHB9I3LP/HBfBuXew5k3jCyUsG9y8Z2TWrQWbqusMHeY861VzVGrysEzwJdGsgsBq+9lEXm0lEax8yeM7PdZvaYmY0nbYvM7AEzezr5e+Fcr9MOj81LvKoxelGBruop465ZEiePnP3HQghnhhCGk5/XAg+GEE4HHkx+7o4ONy+JrSDW8RkrXLPai6RsG3x70QFeeqUbA7SXAbclt28DRrrwb7hsXuK1tWFW+YC8ZQWmptMXc2W1F0UZN/j2EtsJh5RXp8E+AD82sx1mdl3SdmIIYbZs5IvAiR3+G6m8zoimGxYfNf7cCq/ZL79+czpXe1EoVZFNJSCkVzoN9h8OIZwFXAR8ycw+UntnCCGQkVwxs+vMbNzMxg8dyj8A6ZHy2LBlT+rmHHm3ExxZNcQVZw/VTVG84mwNkM5SqiKbV/lnkbl0NBsnhDCZ/P2ymX0fOAd4ycyWhBAOmtkS4OWM594M3AwwPDyc+3Q6axFnnsWdnjtD3bNj8u1FVNMhcM+OSYZPXaT/tPhWqywjzZySXmj7zN7M3m1m7529DVwAPAFsAa5NHnYt8INOO5nmtYyNOLLau8krTRHbjlfgM7CqVIVI/3WSxjkR+DszmwAeBX4UQvgbYCPwL83saeD3k5/deQxseQVXr+37vHa88uI1sKpUhUj/tZ3GCSH8HDgjpf0fgY930qlWjK5ZXrcYBfKfLa6/ZAWjmyfqKkS2E1y9KnDGVsK32RVL3j4pVSHSX4VdQesRGL2Ca2zb93nRwKpIeRQ22INPYPR4jdi27/OigVWR8ihs1cuYlHUAsqzvS6SKCn1mH0u1wNhy7V7K+r5EqshCH7eYmzU8PBzGx8dzPaexWiDMnHVqloeIVIWZ7aipS9ZUYc/sPWeKeIjlKkNEJE1hg31MM0VUk1xEYlfYAdqYqgWq0JeIxK6wwT6mmSIxXWWIiKQpbLCPaQl+TFcZIiJpCpuzh3hWm3qUbhAR6aZCB/tYaD66iMROwd5JLFcZIiJpCpuzFxGR1inYi4hUgIK9iEgFKNiLiFSAgr2ISAVEUfXSzA4Bz3fwEicA/+DUnV4oWn9Bfe6FovUX1OdeyerzqSGExa28QBTBvlNmNt5qmc8YFK2/oD73QtH6C+pzr3j0WWkcEZEKULAXEamAsgT7m/vdgZyK1l9Qn3uhaP0F9blXOu5zKXL2IiLSXFnO7EVEpInCBHszu9DM9prZPjNbm3L/u8zsruT+7Wa2rPe9rOvPUjN72MyeNLM9ZvaVlMd81MwOm9ljyZ8/70dfG/r0nJntTvpz1C7wNuOvks/5cTM7qx/9rOnP8prP7zEz+4WZfbXhMX39nM3sVjN72cyeqGlbZGYPmNnTyd8LM557bfKYp83s2j73eZOZ/Sz5vX/fzBZkPLfpd6jHfd5gZpM1v/uLM57bNL70uM931fT3OTN7LOO5+T7nEEL0f4AB4Bng/cCxwATwgYbH/Bvgfya3rwLu6nOflwBnJbffC/y/lD5/FPhhvz/fhj49B5zQ5P6Lgb8GDDgP2N7vPjd8T15kZu5xNJ8z8BHgLOCJmra/BNYmt9cCf5HyvEXAz5O/Fya3F/axzxcAxyS3/yKtz618h3rc5w3Av2vhe9M0vvSyzw33fxP4c4/PuShn9ucA+0IIPw8hvAl8F7is4TGXAbcltzcDHzcz62Ef64QQDoYQdia3fwk8BZShBvJlwHfCjG3AAjNb0u9OJT4OPBNC6GSBnrsQwk+AVxqaa7+vtwEjKU9dAzwQQnglhPAq8ABwYdc6WiOtzyGEH4cQ3kp+3Aac3Iu+tCrjc25FK/GlK5r1OYlfVwJ3evxbRQn2Q8CBmp9f4OjA+fZjki/kYeB3e9K7OSQppVXA9pS7P2RmE2b212a2oqcdSxeAH5vZDjO7LuX+Vn4X/XIV2f8xYvucTwwhHExuvwicmPKYmD/rP2TmCi/NXN+hXvtyknq6NSNdFuvn/C+Al0IIT2fcn+tzLkqwLywzew9wD/DVEMIvGu7eyUzK4QzgvwFjve5fig+HEM4CLgK+ZGYf6XeHWmHDTbvcAAACTUlEQVRmxwKXAnen3B3j5/y2MHNNXphpcWb2Z8BbwB0ZD4npO3QTcBpwJnCQmbRIUVxN87P6XJ9zUYL9JLC05ueTk7bUx5jZMcDxwD/2pHcZzGyQmUB/Rwjh3sb7Qwi/CCH8Krl9PzBoZif0uJuNfZpM/n4Z+D4zl7i1Wvld9MNFwM4QwkuNd8T4OQMvzaa/kr9fTnlMdJ+1mX0e+CRwTXKQOkoL36GeCSG8FEKYDiEcAW7J6EuMn/MxwOXAXVmPyfs5FyXY/1/gdDN7X3IGdxWwpeExW4DZ2QqfBh7K+jL2QpJv+xbwVAjhxozH/JPZcQUzO4eZ30ffDlBm9m4ze+/sbWYG5J5oeNgW4HPJrJzzgMM16Yh+yjwLiu1zTtR+X68FfpDymK3ABWa2MEk/XJC09YWZXQj8e+DSEMLrGY9p5TvUMw3jSZ/K6Esr8aXXfh/4WQjhhbQ72/qcezHi7DRqfTEzM1qeAf4safuPzHzxAH6HmUv4fcCjwPv73N8PM3Np/jjwWPLnYuCPgT9OHvNlYA8zo//bgH/e5z6/P+nLRNKv2c+5ts8G/Pfk97AbGI7gu/FuZoL38TVt0XzOzByEDgJTzOSDv8jMeNKDwNPA3wKLkscOA/+r5rl/mHyn9wFf6HOf9zGT2579Ps/OfjsJuL/Zd6iPff7fyff0cWYC+JLGPic/HxVf+tXnpP3bs9/fmsd29DlrBa2ISAUUJY0jIiIdULAXEakABXsRkQpQsBcRqQAFexGRClCwFxGpAAV7EZEKULAXEamA/w+WizZbMBKXtAAAAABJRU5ErkJggg==\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(results_df[results_df.success == True].num_rotbonds, norm_scores)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 28,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 28,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(results_df[results_df.success == True].num_atoms, norm_scores)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 43,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 43,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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F44SGwzLAUkTSATQA+C+BflVJlu68yw5KMyrdOMXeouf3tys9rI2wPnKl1ufRlT8Q5nz4Yr6xN93pOvaQ2NV1IzfGbYWkVbaKUGlJKzQIwCcBcETlT88KLRKRbRLr37t1rP2MSLbqKfbWgXGPfSudTtKhL48SfvtV7DsOm5pj+DyONm/egW0/3j5jgQwD4DBVUSvUCeBHAZZrfLVdKdSilOtrb28OaH6kmtmJXayqdj22DBlPj5mF91mdkWZu69Zg8ljGLsiHVZ1TxFpF2EWkr/JwFcDGAN6o9MVIDatWNRodY2g1+5mMbPmjoSP9I8xe1T48sa9OPICclyoaEhs0n6EQAL4rINgAbATynlHqmutMiNSHKWGk1bH+s7XxsGyectTDvI3al3M+6YlG03YHcGAXZVdGLCT4NiU20yTYAs2swF1JrooyVbp2sf23tsZbz8RM+aGjcDEQTN6/FtJ6ZN+VLBjDapKFhhmUD4S4f++Dpt2DO9rsrj5UOgk6Y0s2AUs6Gv37mE7BxAhCzhhUhrIfUL2zG0CCYGgP8bM67+XogpeIA1EYwdGF9tXptQmKG31BBineDMG/pC9p09oltWaxfUlKFjz0bCYmEqsR5k+RjXUgqygiUeiSqOHpS99S1zzsJLcJqhXUhqYRU6zOiccVElvJu22SZkAqoW8vb1CJs49rvN6QlZKqp7Q6D68ueoH2+aVyHbYed0NEkHQ3+8hase+q70bSK410MqSJ1a3nrmgVcPPSfOPOVHyJfKBENZQnZFpK6P3c9FqvvoqWk0UGfasb9uevR5Tqn7s4GADpXbkVuOL+X0tPbj86VWx1zCAtvR/q70OISy6ahQ7gNv8Aq/PnIWM0aFSf9LobEmroVb52Pd3HTCmSLwl2kaAlFJN61dO3YhMH99NO52J8awOKmFThJPsL76ljcP7gQTx+e6xBvUxs0gRoR7iK5YYWutTtCXZefjvQnibdnZOCUd5sCWEmvOU5iTd2Kt87He5Ls0x8ckSXkpw+k3/NWekE4qS2Ltb3nY+3A+Y7xiS7fuKkNmone/pzxd6OiEcplz07QdqSfpHmPdZ3qA6W82/qyg9YcJ6QMdevz1vl4P8AE/cE1soTcvuB7nt4RehU7k6/f1sdr6xuvWbEmQ/Gsjk+e8xyq60g/mB6DB3GDYyxwyrutL9uQhl/vLjpSG+rW8tb5eN8/fTEm1iij0G39XnBaO1Zv6nFY2SaCCGO5xsA21veC2RPR/e5+PP7SLgwphbQIrjnH624xRa+I5JMk3YxryfhbSBGDUN7RvBK/POS8O9B1pG+66C6cPzQPvwvTNeXHl812Z6RK1K14Azof74XA1HFVz+DTuUMe2/CedfuhILf0fhoD61izuQerN/VgqKDAQ0ph9aYedJw83vG3NLVBu+aciXhi4y7kho6sNpMW3H3VGd4Xs/EbG4TyeOxDNpP2vP6sKxYBs+9xHLsAIW+W0pdNYkDduk2MnLUw32arqzf/vQpWkc76tRXuoLf0JuG3vSCUs9xLWTB7Iu67egYmtmUhyPvE77t6Br6xYAaWXTvTMb7s2ple8bStJW4QRGmdpH39msRvG0rK0pdNakldW95BCLLp58ft0ZJJ4fCgKuui8EPQxsB+LPdARZzK+Y0tN/0WnBVRESkWjCIxgOKtwW8UiFvo21oyONDnja4QOC3wTFqQG1Kjuij8ELQxsHUmpgHrv52t3ziuQklfNokYircGP5t+OrHKpGREmIsU/cEvvrF3RFQPHh70hND5TSC5c812x+bijedOxjcWVO4+6Lx0OtY99V3chl/gJNmH99UEPIgbcP6lX7F6vu3fri97Alr6P/A8vy97AlrcgzUUSpZUIEmB4q3Bj+tAJ1a5YYVsJoXhYTjcId9YMMNx3ClLfmV8HRsRuXPNdjy64b2Rx0NKjTx2v5YtC9LrcWXmETQNHQIATJJ9WJp+BE3pmQBGF1Dbv52fTM5aUa24e0KqQeNtWFrgZ9PPJFb9uWGPO8Qda216nbaWjFWs9uMv6TvRmMatao48f++IcBdpGjqEvl/fZVWvxPZv99NP52JJ7kvYPTwBw0qwe3gCluS+hJ9+Olf7fFuC1FWx3awlJA7Q8tbgZ9PP5CN2058bQtfaHWVjv4uvo5Q3W1Hnehgy1GIfUgrzlr7gqTkSxBc9pu9D9BzuH3lu5yp9vZLOS6ejc9VWT6ig+29nm8nph6CWc9AwS0JqCS1vDaYwOJ0A6DISTfT25xzW9OpNPZg0bozjmLOntOJjQyq5W0RSmjoeRdxWe9dafTZn19odDkvVVD3QnWKeG1K45+kd+hd3X1M01xjbTM5ybFz7fXzY9VkM392KD7s+i5d++b1AlnPQMEtCasmolreITAbwMwDHI/8xXK6UeqjaE4sa2zA4XXRH38CgNtrETX9uCL/fc9Axtv7N/cikgJymuXpr1pmleFRTCv26AzWvY6o70tufG9k07entx780XY1vpn/g9UUPev3dujUue3antjCV+64haFTMxrXfx5mb7kRWBgABTsBefF19DwdTg1g77LTmbS3noGGWhNSSUdugiciJAE5USr0iIscA2ARggVLqNdNzGr0Nmq5fZBi0ZFIYN/aoEbGzcddUwvzUOk9VQbcgFpnYlnWI79ee2KJNSBIAby+9IrQ5ftj1WZyAvZ7x3cMTcP7Aw545Olq9lYHRJiQq/LZBG9XyVkp9AOCDws9/EpHXAUwEYBTvesbmw62zKnv7BnBwIJiY9+WG0dd7xO/sjhsvx7iWDA7lhq0uKGuHvb5oEz0l87njye1ozWa0FQTDdj0cp/ZalX/1aznHqns8IWXwtWEpIlMBzAbwUjUmE3f8bIi5ReD0r/869PkoaBJ/UgIIPDHmxdoilbh3bOnPDWFMJuWJcddtWAZlj7RrLe8P5VjP3QDFmNQj1uItIkcDWA3gNqXUJ5rfLwKwCACmTJkS2gRrgakjjHssSMW+PgvfdCmZlHh8xzoUvK4L3dyL8yudp869k04JhjSv23nCFlzT+2Mcp/Zij7Tjfw9cp3WlHOjL5S8g7kmGzK6zO9Fa9HkX6FfN6DlnMdbPt3OREJJkrMRbRDLIC/djSqkndccopZYDWA7kfd6hzbDK6KzpzpVbHdZr0cI2uRzC9j2LQOsS0KHz59rGNuvcO7qsz/mpdfgfvT/MdyEqbA4uzTwC5KAVcJsNy6DMmf9lbAQw+ZVlOE7twx6ZgF3ndGLO/C+H9hqExBmbaBMB8EMAryulvl39KdUWU4akm3K+4rSMrrRtBl+wjmxTSmupu10kOn+u31hnt3tHl/Wpax/XIvlWaba+8WrESs+Z/2WgINYnFL4IaRRsLO95AP4KwHYR2VIY+2el1L9Xb1q1IwxR0SXLuF0xV848EU+8vMtxYcikBHNPGYcNbx1w1CZ5rCTlvRSdi8QtyH5dO+556jYcTe3jdL0h0yLav4efwlaM9iBkdGyiTdbB+iY+efgJuTMJ098c/TLwwO0jVe82TrsFd2w82WH9rt7Ug+vnTnYUpipaze981I/3e/txQusYdJw8Hi++sVc7J5uQNz9ZgtqiWmnx+Ns/wARMhFfAP4AzcSeTElw/d7I2a9Rmw5K1RQixp+EzLHWZfsWqgKVkM2nceO5kz/hfNq3Hnep7jqYCZ77ydVw89J+O4/pzQ3jxjb1Yv+RCvL30ihER1tUwmXqs3kq94LR2z5i7lkebod2YzvLVuoyGFI4e0+TILj009b95nqsAPD80yzE2pBQ6Th5fcZMEv7VFgtQxISTpNHxtE1Omn2nsiZedRZ/+Kf2Ep5BTFoe1/mC39WsSqw1vHdDO9cU3nKFxazb3oHPl1hEruae3Hynk0+ZL3faZlD5Uz2Sl9/blsPmuS44MPHCr5xgBcGFqC0p7xwwroGvtDmy5+5KKLOWgdw200kkj0fDiDZgTM9xj85a+4NnMPFHjTgD0/mC39WsSK1PBKffxXWt3eOYzDHhD8wxOL1NCjTsN31SsSrdG201Z7fl8NIII2miZkKRTF+JdjU0u3Tl1Yvu+moBJmg09tz9Y5/c1ddxxW85F3CJmK5S5oUKoXnq9oyPN5eov8TjO8xzvCZ4xNNx1F6sqUun74ae2CCsAkkYn8T7v4u3zaLWvwzinxyIFcP/gQvTjKOdgJov3z1k8qt/XVFbmqKZU4Ip7bjo+ec7T8Pfr6nuYn1rnOfZAX87hS9447RZPw91+6ItVjW1OV/x++KnmyAqApNEZtTBVJdSyMNW8pS9UHJnh95y6+iDZTBo/m/Mu5rz5Hd89FqcaOukAwIPXzxrVep1972+t09s3jPmqdSEnXTy5e40bp92Cm16a7EmDH9vcpL0jCPJ+6NBlh2Yz6dp1kCckZEIvTBV3qnH7XG4j7wGNqM6ZfRkA/5l9Inrr25Tz4+5Xed6fjcPL7xxwCGhK8inu7tomx1v65nXFrvpzQ/jVtvcxZ+yRsTlTx2HZ5Jmev8XXntgCHWG7M4KWlCUk6SRevIN2OwfsElX8ntMG002PUt6uN/+4YovDDz6kFNa/uR/zpo0fiRMvCtjK7vew/s39I8eePaUV8qneb/1x83FID8jIBUG3WTo/tQ6Lc48AHxfqiHy8C3j6Viy46mEsWOK8w1j27M7A74ctrABIGpnE+7yDdmQphtuV+mg/OeQtrpTNpHHBae2h+9dNuCMpTDWqNrx1wBE73v3ufodwA/kGDyta/9bjtx5Mj8E3D1/n6LWpM/oXN61wNGcAAOT685ufLsLokEMIGZ3EW95+b5/dVvb+g4e94XYKGNMkOO4zY6yqCnau3ILbStwF86aNx2N//7mQV6rHbSmbUutv/3+nYeFNDzuiTb5x8BqsGnA2/NVdI0zp8boQQrozCKkNiRdvwHz77BbqC05rxxMbdzmqBZroyw3jNdcGm8mf664htf7N/bj5B78bVcDH+QwV1OEuimV6mgLym6glG6k/LbNhWoopHBKtk7TH051BSPVJvNsE0KdJ68L9Ht3wnmMjrxzzU+uAB84Eutry37et8OW3dbsudNx91RmedPtMWtB+dLP169x47mTrY93Yruf+wYXoU645ZbL5qBpCSCQk3vI2pUnnm/NW1nZsfmpdvl61a4Puqyd2YnHvaWFN3ehiuM1g4QNHimMVKxB2nDwe85a+MPL8o5pSODzoLSc7tjmtvRNxF5HSsXb4fCAHPNz+tO9wyFrDqoSkUajbOO8grGu+FZNSXjfBh2jHeYcesj7POxU23C0X/116Tl2scyaVF/dSt0s6JbjRUO3vmnMmOiodtjSnPB3tAeDU48aib2C4on2FWgkoY79JkmGcdwiYNuiOU4aNOw3HH9PssIirIWCmRhLZTAoDg+qIhV4oRavbbC1WOizl5h/8zuH2OfW4sdh94JBVEagoC0ax3glpJBIv3qY4b102pM4qTUneFWFTv/p96Gt56Njzp4GRzUO/AjZv2nitz3zetPGOx6Y7jv6SHdQhpTxNIErRXfzcG63zlr5gLYpRCijrnZBGIvEblqa44ruvOsNTJ2PZdTPx7YWzHGPfXjgLy66b6Rj7P3KTZ4OuTzXj/py9j1eXpWiqS+3msb//nEeodeGHNu3XgLw1bjrSZtPSjyhGKaCsd0IaiVhb3ja+03JxxbrkGZvyr1OX9ONgahCLm1bgJPkI76tjcf/gQm2zXT/4ETCbOHFT6VgdCvmLWiUdbvxksYaR8VopfqoSEpJ0YivefnynOkEO4ntNi2Dt8PnWzXVtCZKyr7twTfTRwg0A7rt6RtVLtUYpoEwQIo1EbKJN3GLVNzCoTWAZ15JBS3PTqF1vTDU2bKrblYv2qBRTs+FvLJjhOdY2asLdSacc41oyzu44JeewETt3USzT3P2ckxByhNCjTUTkRwCuBLBHKXVmkMmZ0FnJJg705UZEvae3H50rtwICR9akW/hKMbXUKhWbcrib89pSLCRV+vjRQiq7WwR9bfq5nNnplEC5NmUzacHdV53hmZPt3cmazT1YvanHUQNl9aYedJw83uiColgTUl1sNix/AuCyak5CJ1a25IaVJ2uyPzdk3KBrbko5sjHvXLPdk4lZFs2J56fWYV3zrXjrqJuwrvlWbYMDk94//pKmQ40CF/ahAAAMyElEQVTlpt+yZ3d61j40rNCazTg3aq+dqRVT24a/fhsDE0Kqz6iWt1Lqv0RkajUnEXaSDWCu8XF4cHjk9Xp6+/HYhveMx+pwi2UxG7NYdW+S7MtnZ+ZgtcGp23Q0bfq1ZjOO2HHT3+1AXw4tzaNvZ9heJBiCR0j8iMWGpamOdC0I+qq6cqktMqDtHm+LbtMvkxIcHBgcqTPe09uvbZxQpPQC1blq68h4qXvI1EPT7TqyblRMCKkZoYm3iCwCsAgApkyZ4uu5UQl3GJiyMXWd1W3RRU3oNnAV9J1v3OSGFP75yW1QEId/2+Qzu+C0dsdjUzi5ZZg5IaQKhCbeSqnlAJYD+WgTP8/1E/J26nFj8dbevrKdX/xiI4AmTOVSTZ3V3bQZrFf3pt8phggYhfzfbzRXSp+7bi0A70ieF99w9rrsNfTJNI0TQqpPLDIsTVmS86aNH8kiTItg3rTx2H3g0KidX4C8oH3xvCme5+te5+bzpjg2+PygK5fap/Sd1XXYWq+mKJhxLeG7Lty+bGYuEhI/bEIFHwfwBQATRGQ3gLuVUj8McxK2yRW6Ghs610ExKWTB7ImeMDybGORpd/y7tUVfLJdaaTamrfWq9YOnBZ8eGnSETpowNTvW4RZlZi4SEj9sok1urMVEbDBFN7hdB+WSQmxikG88d/JIDHYpLZmU1v3wtCsbM5MSZNLeyBQdbZaW84LZE9H97n5HokxTShxFqExkUoLrNSVhMylxxMgDelFm5iIh8SMW0Sa2ySImn65N1mTpa7lFCPAKEwBPRmHHyeO1Fqi7JrbunAcOHtYKv601rEuU6c+Zn6y7mHWcPN5q7Uy8IST+xCI93tRQwS3Kfovta3tYusqjpgCk0+KxPm3PaWuBnrLkV9pNUQHwtkXTBj9NJ0yp8I0K0/VJEvCbHh+LDUuTKLnHF8ye6CnzWk5kO1du9fawdHeKh9e9UY3swaCbfn4SmRIceRk6ul6mdzy5XVtxkpAkEQu3iSnkT1ev2lRB0G1Zda3dUVENkiKmGiiVViq84LR2rR/dHVNtwk9H+Y81CTVRE5X1y+46pF6JheVtiuywifgwWVa6jEA/6CziIDU+ntn6ga9xN36uQ3EL4YvS+mVqP6lXYiHeptjqcS0ZRxEp3YfdJKhByKRFGwYXRAhMF5OgFxk3cQzhi7KwFWPUSb0SC/HWJekUY5hHs9aCWlDplHj/CAYrt1pCMNoFCjBnYmYzKas9gCiJ0vo1JYDF7QJHiF9iId66jcixzU0en7XOWjMJZ1s2g0za6TPPpAVfdGVTHnNUkydNPDestFZhECEolwlp407omn9GPi67dD0pwX1Xn4X1Sy7E20uvwPolF8ZOuIForV8/m9xA3sVjczElJGpiESqowza0rlz4IDB6DLPfEL5KN97WbO5B56qtVok7prj1pIa8+QnxjHKNfkNRCQmT0DvpRIVtI9vRsv9G+9D5bZhbabKKbp62IZJBXztqbDM0g0TzhAEjU0iSiK14+6mnEUTUoqzbYapmqAuRTDo271HU4snIFJIkYivetaqnUavXcbtNyiXdDCllncZfTxZh1OLp9y6MkCiJrc+7WkTlU51972+1XWt0tGUzODw4bFVEqp78sbZlEqoFfd4kShKZHl8rokwWsRXubCYNEW+suqnRcj01AY46rM9vZAohURJbt0k18ONTraWF7q4A+LUntlg/t6e339GUOIx5RnV3EofSs0ndFCaNR12It63Y2PpU/UY92Lx+m6GJb1s243EJLHt2p69CVKXNhoNGZ0Qd8UHxJMSOWLtNbBImyrlC3M83dTt3b0j5See2dcWYkmy65p/hOafOfWBLUFdKlKnshBB7Ymt5myzA7nf3OxofHDw8qBWbrrU7HJt+Pb39yKQFmZQ4Mjd1PlU/8de2rhg/LgFd1xw/jZaDRGdEHfFBCLEjtuJtEsXHNrw3EhtdzrWgc1HkhhTGtWTQ0txUVkD9lKj1I3a2LgFd1xw/He6DhLYxXI6QZBBb8S7XrzIIvX05T5cZt8/aT4lak9i1FSoiVhKnrbtw6Rot2/ag9AObDROSDKzEW0QuA/AQgDSAR5RSS8OeiFtA21oy1uF1Okzd0t0WpM49Y7JydaVrOy+d7qlZkk55u7p3rtzqENpyG4F+Gi0D4UZnxCHigxAyOqOKt4ikAfwrgIsB7AawUUTWKqVeC2sSuuzDlOSrAJaKoh/XgVLe4wX5zjWlFnHfgNdnrnuNlMBsfbqeMDSs4K4oruvqYwpT9NNoWbeJe+ea7Z7myd9YMEM/dw2M+CAk/thEm8wF8Ael1FtKqQEAvwDw38OcxD1P7/AkoAyrvFugNGHi5vOmeKIwTFVAMimvCCsAj254zxEZYmvdDyug+939nvFlz+4Mvd2abbKKLtLlH5/Ygkc3vOfwlz+64T3cuWZ7xXMkhMQPG7fJRAC7Sh7vBnBumJMwCWhfbhivuSzNjpPHezrCr97U4/HRBu2mo+Pxl3Z5LNigURi6jUBb14XON+6uTV5EN3dCSHIJbcNSRBYBWAQAU6ZMCeu0HnS39G5B77x0Om7zkaVoi58Ny6CbizauCz8XDj+hhoSQ+GPjNukBMLnk8aTCmAOl1HKlVIdSqqO93a4jehFTiy/TuJsFsycG6ibTls043DOmiqy6UEGTi+NmV8eeZdfNxLJrZ4ZaN8NP+F49lpklpJGxsbw3AjhVRE5BXrRvAHBTmJPomn8GOldudfiOTdmHtsybNh7r3/T6qN1kM2l0zT/DIaJ3rtmORze85zn2xnMne8b8RmeEuRGoC+tLQe860c2dEJJcrErCishfAHgQ+VDBHymlvlnu+EpKwlajGNLNP/idQ8DnTRuP6zqmWL1O0IiNWqH7u7mzM+M6d0LIEfyWhG24et6EEBJHWM+bEEIaAIo3IYQkEIo3IYQkEIo3IYQkEIo3IYQkkKpEm4jIXgDvhnjKCQD2hXi+qOF64k+9rYnriTcTAIxVSllnOFZFvMNGRLr9hNDEHa4n/tTbmrieeFPJeug2IYSQBELxJoSQBJIU8V4e9QRChuuJP/W2Jq4n3vheTyJ83oQQQpwkxfImhBBSQuzEW0R+JCJ7ROTVkrHxIvKciPy+8H1clHP0g4hMFpEXReQ1EdkhIl8tjCdyTSIyRkReFpGthfXcUxg/RUReEpE/iMgTItIc9Vz9ICJpEdksIs8UHid2PSLyjohsF5EtItJdGEvk/xsAiEibiKwSkTdE5HUR+VzC1zO98N4Uvz4Rkdv8ril24g3gJwAuc40tAfC8UupUAM8XHieFQQD/Syl1OoDzAPyDiJyO5K7pMIALlVIzAcwCcJmInAfgWwAeUEp9FsABAH8X4Rwr4asAXi95nPT1XKCUmlUSfpbU/zcAeAjAb5RSpwGYifz7lNj1KKV2Ft6bWQDOAdAH4Cn4XZNSKnZfAKYCeLXk8U4AJxZ+PhHAzqjnGGBtvwRwcT2sCUALgFeQ72m6D0BTYfxzAJ6Nen4+1jGp8GG5EMAzyHexS/J63gEwwTWWyP83AK0A3kZhfy7p69Gs7xIA6ytZUxwtbx3HK6U+KPz8IYDjo5xMpYjIVACzAbyEBK+p4GLYAmAPgOcAvAmgVyk1WDhkN/KNq5PCgwAW40gTomOR7PUoAL8VkU2F3rJAcv/fTgGwF8CPC26tR0RkLJK7Hjc3AHi88LOvNSVFvEdQ+ctS4kJkRORoAKsB3KaU+qT0d0lbk1JqSOVv+SYBmAvgtIinVDEiciWAPUqpTVHPJUTOV0qdDeBy5N10ny/9ZcL+35oAnA3g35RSswEchMudkLD1jFDYR5kPYKX7dzZrSop4/1FETgSAwvc9Ec/HFyKSQV64H1NKPVkYTvSaAEAp1QvgReTdCm0iUuyJqm1SHVPmAZgvIu8A+AXyrpOHkNz1QCnVU/i+B3lf6lwk9/9tN4DdSqmXCo9XIS/mSV1PKZcDeEUp9cfCY19rSop4rwXw14Wf/xp5v3EiEBEB8EMAryulvl3yq0SuSUTaRaSt8HMWef/968iL+LWFwxKzHqXUHUqpSUqpqcjfwr6glLoZCV2PiIwVkWOKPyPvU30VCf1/U0p9CGCXiEwvDF0E4DUkdD0ubsQRlwngd01RO+w1DvzHAXwAIIf8VffvkPdBPg/g9wD+L4DxUc/Tx3rOR/72ZxuALYWvv0jqmgCcBWBzYT2vArirMP5nAF4G8AfkbwOPinquFaztCwCeSfJ6CvPeWvjaAeBfCuOJ/H8rzH0WgO7C/9waAOOSvJ7CmsYC+AhAa8mYrzUxw5IQQhJIUtwmhBBCSqB4E0JIAqF4E0JIAqF4E0JIAqF4E0JIAqF4E0JIAqF4E0JIAqF4E0JIAvn/sR/MenW+wzgAAAAASUVORK5CYII=\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(results_df[results_df.success == True].num_atoms, results_df[results_df.success == True].rmsd)\\n\",\n \"plt.scatter(results_df[results_df.success == False].num_atoms, results_df[results_df.success == False].rmsd)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 42,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 42,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"plt.scatter(results_df[results_df.success == True].num_rotbonds, results_df[results_df.success == True].rmsd)\\n\",\n \"plt.scatter(results_df[results_df.success == False].num_rotbonds, results_df[results_df.success == False].rmsd)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 45,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"[]\"\n ]\n },\n \"execution_count\": 45,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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xfunnfevnitmessagesuccessjacrmsdpdb_idscore_real_mol
0[1.3748057943281191, -0.4826028014294825, 2.13...[-364.806770723242]736256Optimization terminated successfully.True[-0.0021884716261411086, -0.001716671249596402...1.0622973wf6627.400509
1[3.141592653589793, -1.4331719131845528, -2.52...[-493.99769349980284]117589500Maximum number of iterations has been exceeded.False[-0.6910909178259317, 0.0010231815394945443, -...3.5422174b9z782.277607
2[-2.109265052871724, 0.3173394855975662, -2.09...[-1162.5185396000136]240454500Maximum number of iterations has been exceeded.False[31.426748137164395, 24.671612663951237, -32.6...3.1269361m0b1604.583213
3[-0.15389043897876434, -3.020332654441904, 1.7...[-74.78615502978923]366633Optimization terminated successfully.True[-0.00011368683772161603, 1.1368683772161603e-...0.0534832rk760.809820
4[-0.8998916306504124, -0.8213899634576136, -0....[-422.6319121543464]34527135Optimization terminated successfully.True[-0.0023362645151792094, 0.01262492332898546, ...4.1710694wkp273.228510
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" x fun \\\\\\n\",\n \"0 [1.3748057943281191, -0.4826028014294825, 2.13... [-364.806770723242] \\n\",\n \"1 [3.141592653589793, -1.4331719131845528, -2.52... [-493.99769349980284] \\n\",\n \"2 [-2.109265052871724, 0.3173394855975662, -2.09... [-1162.5185396000136] \\n\",\n \"3 [-0.15389043897876434, -3.020332654441904, 1.7... [-74.78615502978923] \\n\",\n \"4 [-0.8998916306504124, -0.8213899634576136, -0.... [-422.6319121543464] \\n\",\n \"\\n\",\n \" nfev nit message success \\\\\\n\",\n \"0 7362 56 Optimization terminated successfully. True \\n\",\n \"1 117589 500 Maximum number of iterations has been exceeded. False \\n\",\n \"2 240454 500 Maximum number of iterations has been exceeded. False \\n\",\n \"3 3666 33 Optimization terminated successfully. True \\n\",\n \"4 34527 135 Optimization terminated successfully. True \\n\",\n \"\\n\",\n \" jac rmsd pdb_id \\\\\\n\",\n \"0 [-0.0021884716261411086, -0.001716671249596402... 1.062297 3wf6 \\n\",\n \"1 [-0.6910909178259317, 0.0010231815394945443, -... 3.542217 4b9z \\n\",\n \"2 [31.426748137164395, 24.671612663951237, -32.6... 3.126936 1m0b \\n\",\n \"3 [-0.00011368683772161603, 1.1368683772161603e-... 0.053483 2rk7 \\n\",\n \"4 [-0.0023362645151792094, 0.01262492332898546, ... 4.171069 4wkp \\n\",\n \"\\n\",\n \" score_real_mol \\n\",\n \"0 627.400509 \\n\",\n \"1 782.277607 \\n\",\n \"2 1604.583213 \\n\",\n \"3 60.809820 \\n\",\n \"4 273.228510 \"\n ]\n },\n \"execution_count\": 18,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"d = torch.load('DockingResults_TestSet.chk')\\n\",\n \"reults_df = pd.DataFrame.from_dict(d)\\n\",\n \"reults_df.head()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"#%%time\\n\",\n \"#loader = DataLoader(db_complex_train[5:1000], batch_size=1, shuffle=False)\\n\",\n \"#data = next(iter(loader))\\n\",\n \"\\n\",\n \"pdb_id = data[3][0]\\n\",\n \"real_mol = Chem.MolFromMol2File('data/pdbbind_v2019_other_refined/' + pdb_id + '/' + pdb_id +'_ligand.mol2')\\n\",\n \"mol = Chem.MolFromSmiles(Chem.MolToSmiles(Chem.MolFromMol2File('data/pdbbind_v2019_other_refined/' + pdb_id + '/' + pdb_id +'_ligand.mol2')))\\n\",\n \"Chem.rdchem.Mol.Compute2DCoords(mol)\\n\",\n \"Chem.rdMolTransforms.CanonicalizeConformer(mol.GetConformer())\\n\",\n \"mol = Chem.AddHs(mol)\\n\",\n \"AllChem.EmbedMolecule(mol, randomSeed=123)\\n\",\n \"AllChem.MMFFOptimizeMolecule(mol)\\n\",\n \"mol = Chem.RemoveHs(mol)\\n\",\n \"\\n\",\n \"\\n\",\n \"opt = optimze_conformation(mol=mol, target_coords=torch.tensor([0]), n_particles=1, pi=torch.tensor([0]), mu=torch.tensor([0]), sigma=torch.tensor([0]))\\n\",\n \"\\n\",\n \"\\n\",\n \"opt_mol = copy.copy(mol)\\n\",\n \"values = t['x']\\n\",\n \" \\n\",\n \"# aplply rotations\\n\",\n \"[opt.SetDihedral(opt_mol.GetConformer(), opt.rotable_bonds[r], values[6+r]) for r in range(len(opt.rotable_bonds))]\\n\",\n \" \\n\",\n \"# aplply transformation matrix\\n\",\n \"rdMolTransforms.TransformConformer(opt_mol.GetConformer(), opt.GetTransformationMatrix(values[:6]))\\n\",\n \"opt_mol\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"import py3Dmol\\n\",\n \"p = py3Dmol.view(width=400,height=400)\\n\",\n \"p.addModel(Chem.MolToMolBlock(opt_mol),'sdf')\\n\",\n \"p.addModel(Chem.MolToMolBlock(real_mol),'sdf')\\n\",\n \"p.setStyle({'stick':{}})\\n\",\n \"p.zoomTo()\\n\",\n \"\\n\",\n \"p.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python [conda env:python36]\",\n \"language\": \"python\",\n \"name\": \"conda-env-python36-py\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.8\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "Validation_Docking/Docking_TestSet.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [12:00:22] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n }\n ],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import torch.distributions as D\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"from rdkit import Chem, DataStructs\\n\",\n \"from rdkit.Chem import AllChem, Draw, Descriptors, rdMolTransforms\\n\",\n \"from rdkit import rdBase\\n\",\n \"import glob\\n\",\n \"import os\\n\",\n \"\\n\",\n \"from deepdock.utils.distributions import *\\n\",\n \"from deepdock.utils.data import *\\n\",\n \"from deepdock.models import *\\n\",\n \"\\n\",\n \"from deepdock.DockingFunction import optimze_conformation\\n\",\n \"from scipy.optimize import basinhopping, brute, differential_evolution\\n\",\n \"import copy\\n\",\n \"\\n\",\n \"# set the random seeds for reproducibility\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\\n\",\n \"torch.manual_seed(123)\\n\",\n \"\\n\",\n \"%matplotlib inline\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 2,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"#device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"device = 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\\n\",\n \"\\n\",\n \"checkpoint = torch.load('../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk')\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Complexes in Test Set: 1367\\n\",\n \"CPU times: user 4.9 s, sys: 2.61 s, total: 7.51 s\\n\",\n \"Wall time: 7.51 s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"db_complex = PDBbind_complex_dataset(data_path='../data/dataset_deepdock_pdbbind_v2019_16K.tar', \\n\",\n \" min_target_nodes=50, max_ligand_nodes=None)\\n\",\n \"db_complex = [i for i in db_complex if i[3] in checkpoint['pdbIDs_test']]\\n\",\n \"print('Complexes in Test Set:', len(db_complex))\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"def dock_compound(data, dist_threshold=3., popsize=150):\\n\",\n \" np.random.seed(123)\\n\",\n \" torch.cuda.manual_seed_all(123)\\n\",\n \" torch.manual_seed(123)\\n\",\n \" \\n\",\n \" model.eval()\\n\",\n \" ligand, target, activity, pdbid = data\\n\",\n \" ligand, target = ligand.to(device), target.to(device)\\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\\n\",\n \" \\n\",\n \" pdb_id = pdbid[0]\\n\",\n \" real_mol = Chem.MolFromMol2File('../../DeepDock/data/pdbbind_v2019_other_refined/' + pdb_id + '/' + pdb_id +'_ligand.mol2',\\n\",\n \" sanitize=False, cleanupSubstructures=False, removeHs=False)\\n\",\n \" opt = optimze_conformation(mol=real_mol, target_coords=target.pos.cpu(), n_particles=1, \\n\",\n \" pi=pi.cpu(), mu=mu.cpu(), sigma=sigma.cpu(), dist_threshold=dist_threshold)\\n\",\n \" \\n\",\n \" #Define bounds\\n\",\n \" max_bound = np.concatenate([[np.pi]*3, target.pos.cpu().max(0)[0].numpy(), [np.pi]*len(opt.rotable_bonds)], axis=0)\\n\",\n \" min_bound = np.concatenate([[-np.pi]*3, target.pos.cpu().min(0)[0].numpy(), [-np.pi]*len(opt.rotable_bonds)], axis=0)\\n\",\n \" bounds = (min_bound, max_bound)\\n\",\n \" \\n\",\n \" # Optimize conformations\\n\",\n \" result = differential_evolution(opt.score_conformation, list(zip(bounds[0],bounds[1])), maxiter=500, \\n\",\n \" popsize=int(np.ceil(popsize/(len(opt.rotable_bonds)+6))),\\n\",\n \" mutation=(0.5, 1), recombination=0.8, disp=False, seed=123)\\n\",\n \" \\n\",\n \" # Get optimized molecule and RMSD\\n\",\n \" opt_mol = opt.apply_changes(opt.mol, result['x'])\\n\",\n \" ligCoords = torch.stack([torch.tensor(m.GetConformer().GetPositions()[opt.noHidx]) for m in [opt_mol]])\\n\",\n \" dist = opt.compute_euclidean_distances_matrix(ligCoords, opt.targetCoords).flatten().unsqueeze(1)\\n\",\n \" result['num_MixOfGauss'] = torch.where(dist <= dist_threshold)[0].size(0)\\n\",\n \" result['rmsd'] = Chem.rdMolAlign.AlignMol(opt_mol, real_mol, atomMap=list(zip(opt.noHidx,opt.noHidx)))\\n\",\n \" result['pdb_id'] = pdb_id\\n\",\n \" \\n\",\n \" # Get score of real conformation\\n\",\n \" ligCoords = torch.stack([torch.tensor(m.GetConformer().GetPositions()[opt.noHidx]) for m in [real_mol]])\\n\",\n \" dist = opt.compute_euclidean_distances_matrix(ligCoords, opt.targetCoords).flatten().unsqueeze(1)\\n\",\n \" score_real_mol = opt.calculate_probablity(opt.pi, opt.sigma, opt.mu, dist)\\n\",\n \" score_real_mol[torch.where(dist > dist_threshold)[0]] = 0.\\n\",\n \" result['score_real_mol'] = pdb_id = score_real_mol.reshape(opt.n_particles, -1).sum(1).item()\\n\",\n \" del ligCoords, dist, score_real_mol\\n\",\n \" \\n\",\n \" result['pkx'] = data[2][0].item()\\n\",\n \" result['num_atoms'] = real_mol.GetNumHeavyAtoms()\\n\",\n \" result['num_rotbonds'] = len(opt.rotable_bonds)\\n\",\n \" result['rotbonds'] = opt.rotable_bonds\\n\",\n \" #result['num_MixOfGauss'] = mu.size(0)\\n\",\n \" \\n\",\n \" return result\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [18:41:01] 1w70_ligand: Warning - no explicit hydrogens in mol2 file but needed for formal charge estimation.\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"loader = DataLoader(db_complex, batch_size=1, shuffle=False)\\n\",\n \"\\n\",\n \"results = []\\n\",\n \"i = 0\\n\",\n \"for data in loader:\\n\",\n \" try:\\n\",\n \" results.append(dock_compound(data))\\n\",\n \" d = {}\\n\",\n \" for k in results[0].keys():\\n\",\n \" if k != 'jac':\\n\",\n \" d[k] = tuple(d[k] for d in results)\\n\",\n \" torch.save(d, 'DockingResults_TestSet.chk')\\n\",\n \" results_df = pd.DataFrame.from_dict(d)\\n\",\n \" results_df.to_csv('DockingResults_TestSet.csv', index=False) \\n\",\n \" i += 1\\n\",\n \" except:\\n\",\n \" print(i, data[3])\\n\",\n \" #break\\n\",\n \" i += 1\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/html\": [\n \"
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xfunnfevnitmessagesuccessnum_MixOfGaussrmsdpdb_idscore_real_molpkxnum_atomsnum_rotbondsrotbonds
0[0.4068741664658634, -3.111903377819833, 2.669...[-61.60544253382419]81378500Maximum number of iterations has been exceeded.False4282.8921803zsq85.0589054.963914[(2, 10, 20, 31), (14, 11, 21, 33), (5, 12, 30...
1[-2.0860038481249803, 0.36174218280227977, -0....-204.159809351Optimization terminated successfully.True2732.2226576g34192.0971198.24202[(3, 2, 1, 0), (6, 5, 4, 3)]
2[1.1728373648793995, 1.711938601173987, 2.2464...[-104.11306138437084]21802134Optimization terminated successfully.True4691.6672095w9997.6929534.68347[(18, 1, 0, 15), (27, 26, 2, 18), (5, 4, 6, 24...
3[0.6677677050421503, -1.6613927144064407, -0.6...[-4.350164062386345]33354212Optimization terminated successfully.True1170.5699762q7q1.2625415.3091[(3, 2, 1, 0)]
4[-1.1667280590125937, 0.0006917577322102169, -...[-100.44115467231256]33998212Optimization terminated successfully.True3152.8944312pbw95.0711658.25227[(0, 1, 3, 4), (1, 3, 5, 6), (5, 6, 7, 8), (11...
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" x fun \\\\\\n\",\n \"0 [0.4068741664658634, -3.111903377819833, 2.669... [-61.60544253382419] \\n\",\n \"1 [-2.0860038481249803, 0.36174218280227977, -0.... -204.159 \\n\",\n \"2 [1.1728373648793995, 1.711938601173987, 2.2464... [-104.11306138437084] \\n\",\n \"3 [0.6677677050421503, -1.6613927144064407, -0.6... [-4.350164062386345] \\n\",\n \"4 [-1.1667280590125937, 0.0006917577322102169, -... [-100.44115467231256] \\n\",\n \"\\n\",\n \" nfev nit message success \\\\\\n\",\n \"0 81378 500 Maximum number of iterations has been exceeded. False \\n\",\n \"1 8093 51 Optimization terminated successfully. True \\n\",\n \"2 21802 134 Optimization terminated successfully. True \\n\",\n \"3 33354 212 Optimization terminated successfully. True \\n\",\n \"4 33998 212 Optimization terminated successfully. True \\n\",\n \"\\n\",\n \" num_MixOfGauss rmsd pdb_id score_real_mol pkx num_atoms \\\\\\n\",\n \"0 428 2.892180 3zsq 85.058905 4.96 39 \\n\",\n \"1 273 2.222657 6g34 192.097119 8.24 20 \\n\",\n \"2 469 1.667209 5w99 97.692953 4.68 34 \\n\",\n \"3 117 0.569976 2q7q 1.262541 5.30 9 \\n\",\n \"4 315 2.894431 2pbw 95.071165 8.25 22 \\n\",\n \"\\n\",\n \" num_rotbonds rotbonds \\n\",\n \"0 14 [(2, 10, 20, 31), (14, 11, 21, 33), (5, 12, 30... \\n\",\n \"1 2 [(3, 2, 1, 0), (6, 5, 4, 3)] \\n\",\n \"2 7 [(18, 1, 0, 15), (27, 26, 2, 18), (5, 4, 6, 24... \\n\",\n \"3 1 [(3, 2, 1, 0)] \\n\",\n \"4 7 [(0, 1, 3, 4), (1, 3, 5, 6), (5, 6, 7, 8), (11... \"\n ]\n },\n \"execution_count\": 6,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"results_df.head()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"(array([153., 187., 158., 108., 80., 65., 62., 40., 35., 29.]),\\n\",\n \" array([ 28. , 75.1, 122.2, 169.3, 216.4, 263.5, 310.6, 357.7, 404.8,\\n\",\n \" 451.9, 499. ]),\\n\",\n \" )\"\n ]\n },\n \"execution_count\": 7,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"plt.hist(results_df['nit'][results_df.success == True])\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 21,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"(array([287., 491., 255., 142., 76., 61., 39., 7., 6., 3.]),\\n\",\n \" array([1.99216067e-06, 1.12116077e+00, 2.24231954e+00, 3.36347832e+00,\\n\",\n \" 4.48463709e+00, 5.60579587e+00, 6.72695465e+00, 7.84811342e+00,\\n\",\n \" 8.96927220e+00, 1.00904310e+01, 1.12115897e+01]),\\n\",\n \" )\"\n ]\n },\n \"execution_count\": 21,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(norm_scores, results_df[results_df.success == True].pkx)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 28,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 28,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(norm_scores, results_df[results_df.success == True].pkx)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 12,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 12,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(results_df[results_df.success == True].num_rotbonds, norm_scores)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 13,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 13,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(results_df[results_df.success == True].num_atoms, norm_scores)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 14,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 14,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(results_df[results_df.success == True].num_atoms, results_df[results_df.success == True].rmsd)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 19,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 19,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"plt.scatter(results_df[results_df.success == True].num_rotbonds, results_df[results_df.success == True].rmsd)\\n\",\n \"#plt.scatter(results_df.num_rotbonds, results_df.rmsd)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 17,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"[]\"\n ]\n },\n \"execution_count\": 17,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n 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\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"norm_scores = [-r[0] if isinstance(r, list) else -r for r in results_df.fun[results_df.success == True]]\\n\",\n \"plt.scatter(norm_scores, results_df[results_df.success == True].score_real_mol)\\n\",\n \"plt.plot([0,300], [0,300], '-r')\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 18,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/html\": [\n \"
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xfunnfevnitmessagesuccessjacrmsdpdb_idscore_real_mol
0[1.3748057943281191, -0.4826028014294825, 2.13...[-364.806770723242]736256Optimization terminated successfully.True[-0.0021884716261411086, -0.001716671249596402...1.0622973wf6627.400509
1[3.141592653589793, -1.4331719131845528, -2.52...[-493.99769349980284]117589500Maximum number of iterations has been exceeded.False[-0.6910909178259317, 0.0010231815394945443, -...3.5422174b9z782.277607
2[-2.109265052871724, 0.3173394855975662, -2.09...[-1162.5185396000136]240454500Maximum number of iterations has been exceeded.False[31.426748137164395, 24.671612663951237, -32.6...3.1269361m0b1604.583213
3[-0.15389043897876434, -3.020332654441904, 1.7...[-74.78615502978923]366633Optimization terminated successfully.True[-0.00011368683772161603, 1.1368683772161603e-...0.0534832rk760.809820
4[-0.8998916306504124, -0.8213899634576136, -0....[-422.6319121543464]34527135Optimization terminated successfully.True[-0.0023362645151792094, 0.01262492332898546, ...4.1710694wkp273.228510
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" x fun \\\\\\n\",\n \"0 [1.3748057943281191, -0.4826028014294825, 2.13... [-364.806770723242] \\n\",\n \"1 [3.141592653589793, -1.4331719131845528, -2.52... [-493.99769349980284] \\n\",\n \"2 [-2.109265052871724, 0.3173394855975662, -2.09... [-1162.5185396000136] \\n\",\n \"3 [-0.15389043897876434, -3.020332654441904, 1.7... [-74.78615502978923] \\n\",\n \"4 [-0.8998916306504124, -0.8213899634576136, -0.... [-422.6319121543464] \\n\",\n \"\\n\",\n \" nfev nit message success \\\\\\n\",\n \"0 7362 56 Optimization terminated successfully. True \\n\",\n \"1 117589 500 Maximum number of iterations has been exceeded. False \\n\",\n \"2 240454 500 Maximum number of iterations has been exceeded. False \\n\",\n \"3 3666 33 Optimization terminated successfully. True \\n\",\n \"4 34527 135 Optimization terminated successfully. True \\n\",\n \"\\n\",\n \" jac rmsd pdb_id \\\\\\n\",\n \"0 [-0.0021884716261411086, -0.001716671249596402... 1.062297 3wf6 \\n\",\n \"1 [-0.6910909178259317, 0.0010231815394945443, -... 3.542217 4b9z \\n\",\n \"2 [31.426748137164395, 24.671612663951237, -32.6... 3.126936 1m0b \\n\",\n \"3 [-0.00011368683772161603, 1.1368683772161603e-... 0.053483 2rk7 \\n\",\n \"4 [-0.0023362645151792094, 0.01262492332898546, ... 4.171069 4wkp \\n\",\n \"\\n\",\n \" score_real_mol \\n\",\n \"0 627.400509 \\n\",\n \"1 782.277607 \\n\",\n \"2 1604.583213 \\n\",\n \"3 60.809820 \\n\",\n \"4 273.228510 \"\n ]\n },\n \"execution_count\": 18,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"d = torch.load('DockingResults_TestSet.chk')\\n\",\n \"reults_df = pd.DataFrame.from_dict(d)\\n\",\n \"reults_df.head()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"#%%time\\n\",\n \"#loader = DataLoader(db_complex_train[5:1000], batch_size=1, shuffle=False)\\n\",\n \"#data = next(iter(loader))\\n\",\n \"\\n\",\n \"pdb_id = data[3][0]\\n\",\n \"real_mol = Chem.MolFromMol2File('data/pdbbind_v2019_other_refined/' + pdb_id + '/' + pdb_id +'_ligand.mol2')\\n\",\n \"mol = Chem.MolFromSmiles(Chem.MolToSmiles(Chem.MolFromMol2File('data/pdbbind_v2019_other_refined/' + pdb_id + '/' + pdb_id +'_ligand.mol2')))\\n\",\n \"Chem.rdchem.Mol.Compute2DCoords(mol)\\n\",\n \"Chem.rdMolTransforms.CanonicalizeConformer(mol.GetConformer())\\n\",\n \"mol = Chem.AddHs(mol)\\n\",\n \"AllChem.EmbedMolecule(mol, randomSeed=123)\\n\",\n \"AllChem.MMFFOptimizeMolecule(mol)\\n\",\n \"mol = Chem.RemoveHs(mol)\\n\",\n \"\\n\",\n \"\\n\",\n \"opt = optimze_conformation(mol=mol, target_coords=torch.tensor([0]), n_particles=1, pi=torch.tensor([0]), mu=torch.tensor([0]), sigma=torch.tensor([0]))\\n\",\n \"\\n\",\n \"\\n\",\n \"opt_mol = copy.copy(mol)\\n\",\n \"values = t['x']\\n\",\n \" \\n\",\n \"# aplply rotations\\n\",\n \"[opt.SetDihedral(opt_mol.GetConformer(), opt.rotable_bonds[r], values[6+r]) for r in range(len(opt.rotable_bonds))]\\n\",\n \" \\n\",\n \"# aplply transformation matrix\\n\",\n \"rdMolTransforms.TransformConformer(opt_mol.GetConformer(), opt.GetTransformationMatrix(values[:6]))\\n\",\n \"opt_mol\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"import py3Dmol\\n\",\n \"p = py3Dmol.view(width=400,height=400)\\n\",\n \"p.addModel(Chem.MolToMolBlock(opt_mol),'sdf')\\n\",\n \"p.addModel(Chem.MolToMolBlock(real_mol),'sdf')\\n\",\n \"p.setStyle({'stick':{}})\\n\",\n \"p.zoomTo()\\n\",\n \"\\n\",\n \"p.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python [conda env:python36]\",\n \"language\": \"python\",\n \"name\": \"conda-env-python36-py\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.8\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "data/1z6e_ligand.mol2", "content": "#\tName:\t\t\t1z6e_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:49:06 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:49:06 2018\n\n@MOLECULE\n1z6e_ligand\n 59 63 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 F 2.6460 27.9550 53.1860 F 1 IK8 -0.3400 \n 2 F1 2.6820 26.4560 54.6720 F 1 IK8 -0.3400 \n 3 F2 3.5120 26.1060 52.7180 F 1 IK8 -0.3400 \n 4 OT1 12.2170 27.6850 52.4430 O.3 1 IK8 -0.0191 \n 5 O1 8.2020 29.3600 56.3580 O.2 1 IK8 -0.5700 \n 6 N 12.1390 28.5390 51.4060 N.2 1 IK8 -0.4097 \n 7 N1 10.3140 29.9370 50.4830 N.pl3 1 IK8 -0.8830 \n 8 N2 6.8810 27.7950 54.3520 N.pl3 1 IK8 0.5926 \n 9 N3 5.8980 27.1470 53.6570 N.2 1 IK8 -0.7068 \n 10 N4 6.2450 30.3470 56.9360 N.am 1 IK8 -0.5470 \n 11 C 11.0340 27.5590 53.0420 C.ar 1 IK8 0.1400 \n 12 C1 10.0800 28.4000 52.3350 C.ar 1 IK8 0.0000 \n 13 C2 10.8570 28.9980 51.3150 C.2 1 IK8 0.3718 \n 14 C3 10.5740 26.7930 54.2410 C.ar 1 IK8 -0.1500 \n 15 C4 9.1700 26.8740 54.7090 C.ar 1 IK8 -0.1500 \n 16 C5 8.2100 27.7260 53.9540 C.ar 1 IK8 -0.0230 \n 17 C6 8.6760 28.5020 52.7610 C.ar 1 IK8 -0.1500 \n 18 C7 4.7110 27.4850 54.1830 C.2 1 IK8 0.1078 \n 19 C8 4.9120 28.3780 55.2720 C.2 1 IK8 -0.1500 \n 20 C9 6.3130 28.5580 55.3520 C.2 1 IK8 -0.2366 \n 21 C10 3.3450 26.9950 53.6810 C.3 1 IK8 1.2010 \n 22 C13 6.9760 29.4340 56.2410 C.2 1 IK8 0.7150 \n 23 C14 6.7990 31.3390 57.7130 C.ar 1 IK8 0.1170 \n 24 C15 7.5870 31.0050 58.8890 C.ar 1 IK8 0.1900 \n 25 C16 8.1980 31.9800 59.7480 C.ar 1 IK8 -0.1500 \n 26 C17 8.0100 33.3790 59.4090 C.ar 1 IK8 -0.0230 \n 27 C18 7.2340 33.7410 58.2070 C.ar 1 IK8 -0.1500 \n 28 C19 6.6110 32.7370 57.3450 C.ar 1 IK8 -0.1500 \n 29 N5 8.4670 34.3420 60.3390 N.pl3 1 IK8 0.3262 \n 30 C21 9.7120 34.9040 60.3640 C.2 1 IK8 -0.3016 \n 31 C22 9.7590 35.8160 61.4250 C.2 1 IK8 0.0772 \n 32 N6 8.5370 35.8010 62.0450 N.2 1 IK8 -0.5653 \n 33 C25 7.7650 34.8940 61.3830 C.2 1 IK8 0.0065 \n 34 F3 7.7730 29.7180 59.1680 F 1 IK8 -0.1900 \n 35 C11 6.3060 34.5810 61.7770 C.3 1 IK8 0.6830 \n 36 N7 6.1390 34.1820 63.2100 N.4 1 IK8 -0.9590 \n 37 C20 6.5330 35.1040 64.3010 C.3 1 IK8 0.5030 \n 38 C23 6.3330 32.7740 63.5730 C.3 1 IK8 0.5030 \n 39 H1 9.3121 30.1664 50.5496 H 1 IK8 0.4000 \n 40 H2 10.9068 30.4151 49.7895 H 1 IK8 0.4000 \n 41 H3 5.2480 30.2944 56.8791 H 1 IK8 0.3700 \n 42 H4 11.2792 26.1680 54.7769 H 1 IK8 0.1500 \n 43 H5 8.8478 26.3229 55.5851 H 1 IK8 0.1500 \n 44 H6 7.9841 29.1338 52.2158 H 1 IK8 0.1500 \n 45 H7 4.1505 28.8270 55.9079 H 1 IK8 0.1500 \n 46 H8 8.7767 31.6832 60.6152 H 1 IK8 0.1500 \n 47 H9 7.1217 34.7890 57.9538 H 1 IK8 0.1500 \n 48 H10 6.0351 33.0199 56.4713 H 1 IK8 0.1500 \n 49 H11 10.5271 34.6810 59.6771 H 1 IK8 0.1500 \n 50 H12 10.6142 36.4282 61.7073 H 1 IK8 0.1500 \n 51 H13 5.9448 33.7575 61.1435 H 1 IK8 0.0000 \n 52 H14 5.6972 35.4787 61.5939 H 1 IK8 0.0000 \n 53 H15 5.1355 34.2512 63.2749 H 1 IK8 0.4500 \n 54 H16 6.3328 34.6289 65.2727 H 1 IK8 0.0000 \n 55 H17 5.9528 36.0351 64.2217 H 1 IK8 0.0000 \n 56 H18 7.6059 35.3323 64.2186 H 1 IK8 0.0000 \n 57 H19 6.0270 32.1333 62.7328 H 1 IK8 0.0000 \n 58 H20 5.7230 32.5358 64.4568 H 1 IK8 0.0000 \n 59 H21 7.3944 32.5971 63.8014 H 1 IK8 0.0000 \n@BOND\n 1 21 1 1 \n 2 21 2 1 \n 3 21 3 1 \n 4 6 4 1 \n 5 11 4 1 \n 6 22 5 2 \n 7 13 6 2 \n 8 13 7 1 \n 9 8 9 1 \n 10 8 16 1 \n 11 20 8 1 \n 12 18 9 2 \n 13 22 10 am \n 14 10 23 1 \n 15 12 11 ar \n 16 14 11 ar \n 17 12 13 1 \n 18 17 12 ar \n 19 15 14 ar \n 20 16 15 ar \n 21 16 17 ar \n 22 19 18 1 \n 23 18 21 1 \n 24 20 19 2 \n 25 20 22 1 \n 26 23 24 ar \n 27 23 28 ar \n 28 24 25 ar \n 29 24 34 1 \n 30 25 26 ar \n 31 26 27 ar \n 32 26 29 1 \n 33 27 28 ar \n 34 29 30 1 \n 35 29 33 1 \n 36 30 31 2 \n 37 31 32 1 \n 38 32 33 2 \n 39 33 35 1 \n 40 35 36 1 \n 41 36 37 1 \n 42 36 38 1 \n 43 7 39 1 \n 44 7 40 1 \n 45 10 41 1 \n 46 14 42 1 \n 47 15 43 1 \n 48 17 44 1 \n 49 19 45 1 \n 50 25 46 1 \n 51 27 47 1 \n 52 28 48 1 \n 53 30 49 1 \n 54 31 50 1 \n 55 35 51 1 \n 56 35 52 1 \n 57 36 53 1 \n 58 37 54 1 \n 59 37 55 1 \n 60 37 56 1 \n 61 38 57 1 \n 62 38 58 1 \n 63 38 59 1 \n@SUBSTRUCTURE\n 1 IK8 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 21 CR 35 CR 37 CR 38 CR 20 C5A 30 C5A 33 C5A 11 C5A 18 C5B 19 C5B \\\n31 C5B 13 C5B 12 C5B 14 CB 15 CB 16 CB 17 CB 23 CB 24 CB \\\n25 CB 26 CB 27 CB 28 CB 22 C=ON 42 HC 43 HC 44 HC 45 HC \\\n46 HC 47 HC 48 HC 49 HC 50 HC 51 HC 52 HC 54 HC 55 HC \\\n56 HC 57 HC 58 HC 59 HC 41 HNCC 39 HNCN 40 HNCN 53 HNR+ \\\n4 OFUR 5 O=CN 8 NPYL 29 NPYL 6 N5A 9 N5A 32 N5B 36 NR+ \\\n10 NC=O 7 NC=N 1 F 2 F 3 F 34 F \n" }, { "path": "data/1z6e_protein.pdb", "content": "HEADER 1Z6E_PROTEIN \nCOMPND 1Z6E_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 12-MAR-16 \nSEQRES 1 A 234 ILE VAL GLY GLY GLN GLU CYS LYS ASP GLY GLU CYS PRO \nSEQRES 2 A 234 TRP GLN ALA LEU LEU ILE ASN GLU GLU ASN GLU GLY PHE \nSEQRES 3 A 234 CYS GLY GLY THR ILE LEU SER GLU PHE TYR ILE LEU THR \nSEQRES 4 A 234 ALA ALA HIS CYS LEU TYR GLN ALA LYS ARG PHE LYS VAL \nSEQRES 5 A 234 ARG VAL GLY ASP ARG ASN THR GLU GLN GLU GLU GLY GLY \nSEQRES 6 A 234 GLU ALA VAL HIS GLU VAL GLU VAL VAL ILE LYS HIS ASN \nSEQRES 7 A 234 ARG PHE THR LYS GLU THR TYR ASP PHE ASP ILE ALA VAL \nSEQRES 8 A 234 LEU ARG LEU LYS THR PRO ILE THR PHE ARG MET ASN VAL \nSEQRES 9 A 234 ALA PRO ALA CYS LEU PRO GLU ARG ASP TRP ALA GLU SER \nSEQRES 10 A 234 THR LEU MET THR GLN LYS THR GLY ILE VAL SER GLY PHE \nSEQRES 11 A 234 GLY ARG THR HIS GLU LYS GLY ARG GLN SER THR ARG LEU \nSEQRES 12 A 234 LYS MET LEU GLU VAL PRO TYR VAL ASP ARG ASN SER CYS \nSEQRES 13 A 234 LYS LEU SER SER SER PHE ILE ILE THR GLN ASN MET PHE \nSEQRES 14 A 234 CYS ALA GLY TYR ASP THR LYS GLN GLU ASP ALA CYS GLN \nSEQRES 15 A 234 GLY ASP SER GLY GLY PRO HIS VAL THR ARG PHE LYS ASP \nSEQRES 16 A 234 THR TYR PHE VAL THR GLY ILE VAL SER TRP GLY GLU GLY \nSEQRES 17 A 234 CYS ALA ARG LYS GLY LYS TYR GLY ILE TYR THR LYS VAL \nSEQRES 18 A 234 THR ALA PHE LEU LYS TRP ILE ASP ARG SER MET LYS THR \nSEQRES 1 L 52 LYS LEU CYS SER LEU ASP ASN GLY ASP CYS ASP GLN PHE \nSEQRES 2 L 52 CYS HIS GLU GLU GLN ASN SER VAL VAL CYS SER CYS ALA \nSEQRES 3 L 52 ARG GLY TYR THR LEU ALA ASP ASN GLY LYS ALA CYS ILE \nSEQRES 4 L 52 PRO THR GLY PRO TYR PRO CYS GLY LYS GLN THR LEU GLU \nATOM 1 N ILE A 16 10.159 21.223 47.670 1.00 -0.82 N \nATOM 2 CA ILE A 16 10.781 22.003 46.569 1.00 0.04 C \nATOM 3 C ILE A 16 9.769 22.267 45.462 1.00 0.62 C \nATOM 4 O ILE A 16 9.106 21.345 44.982 1.00 -0.50 O \nATOM 5 CB ILE A 16 11.992 21.243 45.946 1.00 -0.01 C \nATOM 6 CG1 ILE A 16 13.061 21.006 47.011 1.00 -0.05 C \nATOM 7 CG2 ILE A 16 12.591 22.041 44.785 1.00 -0.09 C \nATOM 8 CD1 ILE A 16 13.691 22.284 47.540 1.00 -0.09 C \nATOM 9 HA ILE A 16 11.131 22.963 46.975 1.00 0.05 H \nATOM 10 HB ILE A 16 11.643 20.271 45.567 1.00 0.02 H \nATOM 11 HG12 ILE A 16 12.599 20.472 47.854 1.00 0.03 H \nATOM 12 HG13 ILE A 16 13.855 20.383 46.573 1.00 0.03 H \nATOM 13 HD11 ILE A 16 12.911 22.921 47.983 1.00 0.03 H \nATOM 14 HD12 ILE A 16 14.440 22.034 48.306 1.00 0.03 H \nATOM 15 HD13 ILE A 16 14.178 22.822 46.713 1.00 0.03 H \nATOM 16 HG21 ILE A 16 12.926 23.023 45.149 1.00 0.03 H \nATOM 17 HG22 ILE A 16 13.448 21.493 44.367 1.00 0.03 H \nATOM 18 HG23 ILE A 16 11.829 22.180 44.004 1.00 0.03 H \nATOM 19 H ILE A 16 9.179 21.023 47.649 1.00 0.30 H \nATOM 20 HNCA ILE A 16 10.731 20.892 48.447 1.00 0.30 H \nATOM 21 N VAL A 17 9.646 23.535 45.078 1.00 -0.42 N \nATOM 22 CA VAL A 17 8.758 23.943 43.999 1.00 -0.09 C \nATOM 23 C VAL A 17 9.659 24.074 42.767 1.00 0.60 C \nATOM 24 O VAL A 17 10.715 24.700 42.821 1.00 -0.57 O \nATOM 25 CB VAL A 17 8.096 25.298 44.316 1.00 0.30 C \nATOM 26 CG1 VAL A 17 7.112 25.669 43.216 1.00 -0.32 C \nATOM 27 CG2 VAL A 17 7.404 25.227 45.662 1.00 -0.32 C \nATOM 28 HA VAL A 17 7.980 23.184 43.832 1.00 0.10 H \nATOM 29 HB VAL A 17 8.877 26.072 44.363 1.00 -0.03 H \nATOM 30 HG11 VAL A 17 6.339 24.890 43.137 1.00 0.08 H \nATOM 31 HG12 VAL A 17 6.638 26.632 43.457 1.00 0.08 H \nATOM 32 HG13 VAL A 17 7.647 25.753 42.259 1.00 0.08 H \nATOM 33 HG21 VAL A 17 8.141 24.981 46.441 1.00 0.08 H \nATOM 34 HG22 VAL A 17 6.942 26.199 45.888 1.00 0.08 H \nATOM 35 HG23 VAL A 17 6.627 24.449 45.634 1.00 0.08 H \nATOM 36 H VAL A 17 10.184 24.234 45.549 1.00 0.27 H \nATOM 37 N GLY A 18 9.253 23.470 41.658 1.00 -0.42 N \nATOM 38 CA GLY A 18 10.072 23.533 40.464 1.00 -0.03 C \nATOM 39 C GLY A 18 11.284 22.632 40.619 1.00 0.60 C \nATOM 40 O GLY A 18 11.240 21.647 41.360 1.00 -0.57 O \nATOM 41 HA3 GLY A 18 9.480 23.202 39.598 1.00 0.07 H \nATOM 42 HA2 GLY A 18 10.406 24.569 40.305 1.00 0.07 H \nATOM 43 H GLY A 18 8.385 22.973 41.646 1.00 0.27 H \nATOM 44 N GLY A 19 12.368 22.966 39.925 1.00 -0.42 N \nATOM 45 CA GLY A 19 13.577 22.163 40.006 1.00 -0.03 C \nATOM 46 C GLY A 19 13.388 20.768 39.437 1.00 0.60 C \nATOM 47 O GLY A 19 12.420 20.513 38.717 1.00 -0.57 O \nATOM 48 HA3 GLY A 19 14.375 22.669 39.442 1.00 0.07 H \nATOM 49 HA2 GLY A 19 13.873 22.076 41.062 1.00 0.07 H \nATOM 50 H GLY A 19 12.351 23.778 39.341 1.00 0.27 H \nATOM 51 N GLN A 20 14.315 19.865 39.755 1.00 -0.42 N \nATOM 52 CA GLN A 20 14.256 18.483 39.279 1.00 -0.00 C \nATOM 53 C GLN A 20 14.606 17.477 40.367 1.00 0.60 C \nATOM 54 O GLN A 20 15.011 17.849 41.475 1.00 -0.57 O \nATOM 55 CB GLN A 20 15.213 18.273 38.108 1.00 -0.00 C \nATOM 56 CG GLN A 20 16.583 18.811 38.375 1.00 -0.06 C \nATOM 57 CD GLN A 20 16.640 20.300 38.142 1.00 0.70 C \nATOM 58 OE1 GLN A 20 17.440 21.012 38.755 1.00 -0.61 O \nATOM 59 NE2 GLN A 20 15.795 20.782 37.236 1.00 -0.94 N \nATOM 60 HA GLN A 20 13.229 18.285 38.938 1.00 0.09 H \nATOM 61 HB2 GLN A 20 15.292 17.194 37.908 1.00 0.02 H \nATOM 62 HB3 GLN A 20 14.802 18.781 37.223 1.00 0.02 H \nATOM 63 HG2 GLN A 20 16.853 18.601 39.420 1.00 0.04 H \nATOM 64 HG3 GLN A 20 17.300 18.315 37.704 1.00 0.04 H \nATOM 65 HE22 GLN A 20 15.783 21.761 37.035 1.00 0.43 H \nATOM 66 HE21 GLN A 20 15.172 20.165 36.756 1.00 0.43 H \nATOM 67 H GLN A 20 15.078 20.142 40.340 1.00 0.27 H \nATOM 68 N GLU A 21 14.445 16.199 40.028 1.00 -0.52 N \nATOM 69 CA GLU A 21 14.742 15.099 40.936 1.00 0.04 C \nATOM 70 C GLU A 21 16.237 14.997 41.138 1.00 0.54 C \nATOM 71 O GLU A 21 17.011 15.333 40.247 1.00 -0.58 O \nATOM 72 CB GLU A 21 14.285 13.753 40.348 1.00 0.06 C \nATOM 73 CG GLU A 21 12.805 13.446 40.411 1.00 0.01 C \nATOM 74 CD GLU A 21 12.473 12.131 39.726 1.00 0.81 C \nATOM 75 OE1 GLU A 21 11.326 11.659 39.856 1.00 -0.82 O \nATOM 76 OE2 GLU A 21 13.360 11.567 39.045 1.00 -0.82 O \nATOM 77 HA GLU A 21 14.240 15.277 41.898 1.00 0.11 H \nATOM 78 HB2 GLU A 21 14.584 13.734 39.289 1.00 -0.02 H \nATOM 79 HB3 GLU A 21 14.813 12.956 40.892 1.00 -0.02 H \nATOM 80 HG2 GLU A 21 12.498 13.386 41.466 1.00 -0.04 H \nATOM 81 HG3 GLU A 21 12.252 14.256 39.914 1.00 -0.04 H \nATOM 82 H GLU A 21 14.106 15.986 39.112 1.00 0.29 H \nATOM 83 N CYS A 22 16.642 14.538 42.315 1.00 -0.42 N \nATOM 84 CA CYS A 22 18.048 14.313 42.560 1.00 0.02 C \nATOM 85 C CYS A 22 18.243 12.943 41.940 1.00 0.60 C \nATOM 86 O CYS A 22 17.519 11.999 42.275 1.00 -0.57 O \nATOM 87 CB CYS A 22 18.343 14.259 44.055 1.00 -0.12 C \nATOM 88 SG CYS A 22 18.065 15.839 44.859 1.00 -0.31 S \nATOM 89 HA CYS A 22 18.675 15.078 42.078 1.00 0.11 H \nATOM 90 HB2 CYS A 22 17.689 13.506 44.518 1.00 0.11 H \nATOM 91 HB3 CYS A 22 19.394 13.969 44.198 1.00 0.11 H \nATOM 92 HG CYS A 22 18.272 15.757 45.842 1.00 0.19 H \nATOM 93 H CYS A 22 15.973 14.347 43.034 1.00 0.27 H \nATOM 94 N LYS A 23 19.183 12.843 41.006 1.00 -0.35 N \nATOM 95 CA LYS A 23 19.449 11.579 40.360 1.00 -0.24 C \nATOM 96 C LYS A 23 20.397 10.807 41.247 1.00 0.73 C \nATOM 97 O LYS A 23 20.886 11.328 42.256 1.00 -0.59 O \nATOM 98 CB LYS A 23 20.028 11.798 38.963 1.00 -0.01 C \nATOM 99 CG LYS A 23 19.064 12.570 38.049 1.00 0.02 C \nATOM 100 CD LYS A 23 17.729 11.843 37.960 1.00 -0.05 C \nATOM 101 CE LYS A 23 16.693 12.611 37.168 1.00 -0.01 C \nATOM 102 NZ LYS A 23 15.419 11.835 37.112 1.00 -0.39 N \nATOM 103 HA LYS A 23 18.509 11.016 40.263 1.00 0.14 H \nATOM 104 HB2 LYS A 23 20.964 12.369 39.053 1.00 0.04 H \nATOM 105 HB3 LYS A 23 20.238 10.818 38.509 1.00 0.04 H \nATOM 106 HG2 LYS A 23 18.902 13.578 38.459 1.00 0.01 H \nATOM 107 HG3 LYS A 23 19.502 12.650 37.043 1.00 0.01 H \nATOM 108 HD2 LYS A 23 17.891 10.869 37.475 1.00 0.06 H \nATOM 109 HD3 LYS A 23 17.346 11.686 38.979 1.00 0.06 H \nATOM 110 HE2 LYS A 23 16.508 13.581 37.653 1.00 0.11 H \nATOM 111 HE3 LYS A 23 17.064 12.777 36.146 1.00 0.11 H \nATOM 112 HZ1 LYS A 23 15.082 11.675 38.048 1.00 0.34 H \nATOM 113 HZ2 LYS A 23 14.731 12.356 36.592 1.00 0.34 H \nATOM 114 HZ3 LYS A 23 15.584 10.950 36.658 1.00 0.34 H \nATOM 115 H LYS A 23 19.712 13.652 40.748 1.00 0.27 H \nATOM 116 N ASP A 24 20.639 9.559 40.879 1.00 -0.52 N \nATOM 117 CA ASP A 24 21.483 8.691 41.666 1.00 0.04 C \nATOM 118 C ASP A 24 22.818 9.307 42.077 1.00 0.54 C \nATOM 119 O ASP A 24 23.625 9.692 41.236 1.00 -0.58 O \nATOM 120 CB ASP A 24 21.687 7.390 40.902 1.00 -0.03 C \nATOM 121 CG ASP A 24 21.847 6.208 41.818 1.00 0.80 C \nATOM 122 OD1 ASP A 24 21.344 6.279 42.962 1.00 -0.80 O \nATOM 123 OD2 ASP A 24 22.464 5.203 41.390 1.00 -0.80 O \nATOM 124 HA ASP A 24 20.940 8.459 42.594 1.00 0.09 H \nATOM 125 HB2 ASP A 24 20.814 7.220 40.254 1.00 -0.01 H \nATOM 126 HB3 ASP A 24 22.591 7.482 40.282 1.00 -0.01 H \nATOM 127 H ASP A 24 20.228 9.209 40.037 1.00 0.29 H \nATOM 128 N GLY A 25 23.020 9.417 43.388 1.00 -0.42 N \nATOM 129 CA GLY A 25 24.250 9.966 43.932 1.00 -0.03 C \nATOM 130 C GLY A 25 24.436 11.478 43.933 1.00 0.60 C \nATOM 131 O GLY A 25 25.432 11.956 44.468 1.00 -0.57 O \nATOM 132 HA3 GLY A 25 24.321 9.630 44.977 1.00 0.07 H \nATOM 133 HA2 GLY A 25 25.081 9.538 43.352 1.00 0.07 H \nATOM 134 H GLY A 25 22.304 9.113 44.017 1.00 0.27 H \nATOM 135 N GLU A 26 23.486 12.229 43.372 1.00 -0.52 N \nATOM 136 CA GLU A 26 23.590 13.685 43.278 1.00 0.04 C \nATOM 137 C GLU A 26 23.441 14.515 44.549 1.00 0.54 C \nATOM 138 O GLU A 26 24.027 15.593 44.644 1.00 -0.58 O \nATOM 139 CB GLU A 26 22.600 14.222 42.245 1.00 0.06 C \nATOM 140 CG GLU A 26 22.875 13.792 40.822 1.00 0.01 C \nATOM 141 CD GLU A 26 22.064 14.587 39.811 1.00 0.81 C \nATOM 142 OE1 GLU A 26 20.879 14.896 40.097 1.00 -0.82 O \nATOM 143 OE2 GLU A 26 22.611 14.892 38.726 1.00 -0.82 O \nATOM 144 HA GLU A 26 24.605 13.884 42.903 1.00 0.11 H \nATOM 145 HB2 GLU A 26 21.594 13.872 42.520 1.00 -0.02 H \nATOM 146 HB3 GLU A 26 22.629 15.321 42.282 1.00 -0.02 H \nATOM 147 HG2 GLU A 26 23.945 13.936 40.609 1.00 -0.04 H \nATOM 148 HG3 GLU A 26 22.621 12.727 40.719 1.00 -0.04 H \nATOM 149 H GLU A 26 22.673 11.780 43.002 1.00 0.29 H \nATOM 150 N CYS A 27 22.659 14.035 45.511 1.00 -0.42 N \nATOM 151 CA CYS A 27 22.450 14.777 46.756 1.00 0.02 C \nATOM 152 C CYS A 27 22.615 13.808 47.920 1.00 0.60 C \nATOM 153 O CYS A 27 21.699 13.612 48.722 1.00 -0.57 O \nATOM 154 CB CYS A 27 21.044 15.390 46.770 1.00 -0.12 C \nATOM 155 SG CYS A 27 20.600 16.222 45.218 1.00 -0.31 S \nATOM 156 HA CYS A 27 23.196 15.581 46.837 1.00 0.11 H \nATOM 157 HB2 CYS A 27 20.316 14.587 46.955 1.00 0.11 H \nATOM 158 HB3 CYS A 27 20.993 16.126 47.586 1.00 0.11 H \nATOM 159 HG CYS A 27 19.669 16.601 45.294 1.00 0.19 H \nATOM 160 H CYS A 27 22.206 13.153 45.382 1.00 0.27 H \nATOM 161 N PRO A 28 23.812 13.205 48.034 1.00 -0.25 N \nATOM 162 CA PRO A 28 24.131 12.236 49.084 1.00 -0.03 C \nATOM 163 C PRO A 28 24.135 12.760 50.508 1.00 0.59 C \nATOM 164 O PRO A 28 24.079 11.976 51.454 1.00 -0.57 O \nATOM 165 CB PRO A 28 25.497 11.704 48.654 1.00 -0.01 C \nATOM 166 CG PRO A 28 26.131 12.900 48.026 1.00 0.02 C \nATOM 167 CD PRO A 28 25.000 13.485 47.198 1.00 0.02 C \nATOM 168 HA PRO A 28 23.392 11.422 49.047 1.00 0.06 H \nATOM 169 HD3 PRO A 28 24.924 12.987 46.220 1.00 0.04 H \nATOM 170 HD2 PRO A 28 25.135 14.566 47.049 1.00 0.04 H \nATOM 171 HG3 PRO A 28 26.980 12.610 47.389 1.00 0.02 H \nATOM 172 HG2 PRO A 28 26.473 13.614 48.790 1.00 0.02 H \nATOM 173 HB2 PRO A 28 26.078 11.356 49.521 1.00 0.03 H \nATOM 174 HB3 PRO A 28 25.393 10.883 47.929 1.00 0.03 H \nATOM 175 N TRP A 29 24.204 14.081 50.657 1.00 -0.42 N \nATOM 176 CA TRP A 29 24.233 14.729 51.975 1.00 -0.03 C \nATOM 177 C TRP A 29 22.858 15.070 52.531 1.00 0.60 C \nATOM 178 O TRP A 29 22.747 15.611 53.624 1.00 -0.57 O \nATOM 179 CB TRP A 29 25.094 15.987 51.903 1.00 -0.01 C \nATOM 180 CG TRP A 29 24.952 16.694 50.600 1.00 -0.14 C \nATOM 181 CD1 TRP A 29 23.890 17.449 50.187 1.00 -0.16 C \nATOM 182 CD2 TRP A 29 25.870 16.653 49.501 1.00 0.12 C \nATOM 183 NE1 TRP A 29 24.089 17.881 48.898 1.00 -0.34 N \nATOM 184 CE2 TRP A 29 25.295 17.407 48.451 1.00 0.14 C \nATOM 185 CE3 TRP A 29 27.121 16.051 49.297 1.00 -0.24 C \nATOM 186 CZ2 TRP A 29 25.930 17.577 47.209 1.00 -0.26 C \nATOM 187 CZ3 TRP A 29 27.755 16.219 48.056 1.00 -0.20 C \nATOM 188 CH2 TRP A 29 27.153 16.978 47.031 1.00 -0.11 C \nATOM 189 HA TRP A 29 24.706 14.027 52.678 1.00 0.11 H \nATOM 190 HB2 TRP A 29 24.792 16.670 52.711 1.00 0.03 H \nATOM 191 HB3 TRP A 29 26.148 15.703 52.038 1.00 0.03 H \nATOM 192 HE1 TRP A 29 23.438 18.466 48.356 1.00 0.34 H \nATOM 193 HD1 TRP A 29 23.013 17.675 50.792 1.00 0.21 H \nATOM 194 HZ2 TRP A 29 25.471 18.160 46.419 1.00 0.16 H \nATOM 195 HH2 TRP A 29 27.666 17.091 46.083 1.00 0.14 H \nATOM 196 HZ3 TRP A 29 28.721 15.759 47.883 1.00 0.14 H \nATOM 197 HE3 TRP A 29 27.588 15.468 50.082 1.00 0.17 H \nATOM 198 H TRP A 29 24.237 14.655 49.839 1.00 0.27 H \nATOM 199 N GLN A 30 21.812 14.757 51.780 1.00 -0.42 N \nATOM 200 CA GLN A 30 20.465 15.022 52.248 1.00 -0.00 C \nATOM 201 C GLN A 30 20.066 14.030 53.347 1.00 0.60 C \nATOM 202 O GLN A 30 20.282 12.824 53.227 1.00 -0.57 O \nATOM 203 CB GLN A 30 19.461 14.922 51.091 1.00 -0.00 C \nATOM 204 CG GLN A 30 17.999 15.064 51.531 1.00 -0.06 C \nATOM 205 CD GLN A 30 17.549 16.513 51.652 1.00 0.70 C \nATOM 206 OE1 GLN A 30 16.785 16.873 52.549 1.00 -0.61 O \nATOM 207 NE2 GLN A 30 18.007 17.344 50.733 1.00 -0.94 N \nATOM 208 HA GLN A 30 20.432 16.041 52.661 1.00 0.09 H \nATOM 209 HB2 GLN A 30 19.685 15.719 50.367 1.00 0.02 H \nATOM 210 HB3 GLN A 30 19.585 13.942 50.607 1.00 0.02 H \nATOM 211 HG2 GLN A 30 17.360 14.560 50.791 1.00 0.04 H \nATOM 212 HG3 GLN A 30 17.879 14.578 52.510 1.00 0.04 H \nATOM 213 HE22 GLN A 30 17.747 18.309 50.758 1.00 0.43 H \nATOM 214 HE21 GLN A 30 18.613 17.008 50.012 1.00 0.43 H \nATOM 215 H GLN A 30 21.952 14.335 50.884 1.00 0.27 H \nATOM 216 N ALA A 31 19.491 14.554 54.421 1.00 -0.42 N \nATOM 217 CA ALA A 31 19.018 13.722 55.515 1.00 0.03 C \nATOM 218 C ALA A 31 17.551 14.089 55.664 1.00 0.60 C \nATOM 219 O ALA A 31 17.139 15.185 55.260 1.00 -0.57 O \nATOM 220 CB ALA A 31 19.792 14.036 56.797 1.00 -0.18 C \nATOM 221 HA ALA A 31 19.129 12.655 55.271 1.00 0.08 H \nATOM 222 HB1 ALA A 31 19.422 13.399 57.614 1.00 0.06 H \nATOM 223 HB2 ALA A 31 20.863 13.841 56.636 1.00 0.06 H \nATOM 224 HB3 ALA A 31 19.648 15.094 57.063 1.00 0.06 H \nATOM 225 H ALA A 31 19.380 15.546 54.480 1.00 0.27 H \nATOM 226 N LEU A 32 16.753 13.181 56.213 1.00 -0.42 N \nATOM 227 CA LEU A 32 15.333 13.450 56.406 1.00 -0.05 C \nATOM 228 C LEU A 32 14.937 13.133 57.836 1.00 0.60 C \nATOM 229 O LEU A 32 15.207 12.045 58.327 1.00 -0.57 O \nATOM 230 CB LEU A 32 14.492 12.604 55.447 1.00 -0.11 C \nATOM 231 CG LEU A 32 12.971 12.781 55.504 1.00 0.35 C \nATOM 232 CD1 LEU A 32 12.581 14.207 55.138 1.00 -0.41 C \nATOM 233 CD2 LEU A 32 12.332 11.811 54.533 1.00 -0.41 C \nATOM 234 HA LEU A 32 15.142 14.515 56.207 1.00 0.09 H \nATOM 235 HB2 LEU A 32 14.815 12.845 54.423 1.00 0.05 H \nATOM 236 HB3 LEU A 32 14.710 11.547 55.661 1.00 0.05 H \nATOM 237 HG LEU A 32 12.619 12.563 56.523 1.00 -0.04 H \nATOM 238 HD21 LEU A 32 12.607 10.782 54.808 1.00 0.10 H \nATOM 239 HD22 LEU A 32 11.238 11.921 54.572 1.00 0.10 H \nATOM 240 HD23 LEU A 32 12.686 12.025 53.514 1.00 0.10 H \nATOM 241 HD11 LEU A 32 12.936 14.435 54.122 1.00 0.10 H \nATOM 242 HD12 LEU A 32 11.486 14.309 55.175 1.00 0.10 H \nATOM 243 HD13 LEU A 32 13.039 14.907 55.852 1.00 0.10 H \nATOM 244 H LEU A 32 17.131 12.300 56.498 1.00 0.27 H \nATOM 245 N LEU A 33 14.316 14.095 58.510 1.00 -0.42 N \nATOM 246 CA LEU A 33 13.876 13.893 59.884 1.00 -0.05 C \nATOM 247 C LEU A 33 12.516 13.243 59.796 1.00 0.60 C \nATOM 248 O LEU A 33 11.591 13.812 59.222 1.00 -0.57 O \nATOM 249 CB LEU A 33 13.750 15.221 60.627 1.00 -0.11 C \nATOM 250 CG LEU A 33 14.967 16.143 60.646 1.00 0.35 C \nATOM 251 CD1 LEU A 33 14.717 17.244 61.659 1.00 -0.41 C \nATOM 252 CD2 LEU A 33 16.222 15.380 61.020 1.00 -0.41 C \nATOM 253 HA LEU A 33 14.583 13.240 60.416 1.00 0.09 H \nATOM 254 HB2 LEU A 33 12.923 15.779 60.164 1.00 0.05 H \nATOM 255 HB3 LEU A 33 13.497 14.990 61.672 1.00 0.05 H \nATOM 256 HG LEU A 33 15.102 16.586 59.648 1.00 -0.04 H \nATOM 257 HD21 LEU A 33 16.392 14.574 60.291 1.00 0.10 H \nATOM 258 HD22 LEU A 33 17.083 16.065 61.016 1.00 0.10 H \nATOM 259 HD23 LEU A 33 16.103 14.948 62.024 1.00 0.10 H \nATOM 260 HD11 LEU A 33 14.556 16.799 62.652 1.00 0.10 H \nATOM 261 HD12 LEU A 33 15.589 17.914 61.695 1.00 0.10 H \nATOM 262 HD13 LEU A 33 13.826 17.817 61.365 1.00 0.10 H \nATOM 263 H LEU A 33 14.147 14.975 58.065 1.00 0.27 H \nATOM 264 N ILE A 34 12.398 12.045 60.350 1.00 -0.42 N \nATOM 265 CA ILE A 34 11.132 11.341 60.299 1.00 -0.06 C \nATOM 266 C ILE A 34 10.484 11.242 61.668 1.00 0.60 C \nATOM 267 O ILE A 34 11.162 11.080 62.681 1.00 -0.57 O \nATOM 268 CB ILE A 34 11.309 9.933 59.709 1.00 0.13 C \nATOM 269 CG1 ILE A 34 12.433 9.202 60.440 1.00 -0.04 C \nATOM 270 CG2 ILE A 34 11.634 10.028 58.224 1.00 -0.32 C \nATOM 271 CD1 ILE A 34 12.564 7.757 60.043 1.00 -0.07 C \nATOM 272 HA ILE A 34 10.457 11.909 59.642 1.00 0.09 H \nATOM 273 HB ILE A 34 10.372 9.370 59.836 1.00 0.02 H \nATOM 274 HG12 ILE A 34 13.382 9.712 60.218 1.00 0.02 H \nATOM 275 HG13 ILE A 34 12.235 9.250 61.521 1.00 0.02 H \nATOM 276 HD11 ILE A 34 12.763 7.690 58.963 1.00 0.02 H \nATOM 277 HD12 ILE A 34 13.395 7.298 60.598 1.00 0.02 H \nATOM 278 HD13 ILE A 34 11.629 7.226 60.277 1.00 0.02 H \nATOM 279 HG21 ILE A 34 12.560 10.606 58.088 1.00 0.09 H \nATOM 280 HG22 ILE A 34 11.769 9.017 57.813 1.00 0.09 H \nATOM 281 HG23 ILE A 34 10.808 10.530 57.699 1.00 0.09 H \nATOM 282 H ILE A 34 13.184 11.626 60.804 1.00 0.27 H \nATOM 283 N ASN A 35 9.165 11.365 61.693 1.00 -0.42 N \nATOM 284 CA ASN A 35 8.430 11.290 62.944 1.00 0.01 C \nATOM 285 C ASN A 35 8.062 9.845 63.276 1.00 0.60 C \nATOM 286 O ASN A 35 8.453 8.910 62.569 1.00 -0.57 O \nATOM 287 CB ASN A 35 7.160 12.143 62.873 1.00 -0.20 C \nATOM 288 CG ASN A 35 6.219 11.698 61.770 1.00 0.71 C \nATOM 289 OD1 ASN A 35 6.122 10.511 61.463 1.00 -0.59 O \nATOM 290 ND2 ASN A 35 5.511 12.653 61.173 1.00 -0.92 N \nATOM 291 HA ASN A 35 9.072 11.681 63.747 1.00 0.10 H \nATOM 292 HB2 ASN A 35 6.633 12.071 63.836 1.00 0.08 H \nATOM 293 HB3 ASN A 35 7.448 13.189 62.690 1.00 0.08 H \nATOM 294 HD22 ASN A 35 4.874 12.418 60.439 1.00 0.42 H \nATOM 295 HD21 ASN A 35 5.616 13.606 61.459 1.00 0.42 H \nATOM 296 H ASN A 35 8.668 11.512 60.838 1.00 0.27 H \nATOM 297 N GLU A 36 7.302 9.683 64.356 1.00 -0.52 N \nATOM 298 CA GLU A 36 6.864 8.373 64.825 1.00 0.04 C \nATOM 299 C GLU A 36 6.062 7.606 63.781 1.00 0.54 C \nATOM 300 O GLU A 36 6.145 6.376 63.706 1.00 -0.58 O \nATOM 301 CB GLU A 36 6.028 8.514 66.107 1.00 0.06 C \nATOM 302 CG GLU A 36 6.809 9.008 67.326 1.00 0.01 C \nATOM 303 CD GLU A 36 6.872 10.531 67.434 1.00 0.81 C \nATOM 304 OE1 GLU A 36 7.034 11.210 66.394 1.00 -0.82 O \nATOM 305 OE2 GLU A 36 6.772 11.047 68.569 1.00 -0.82 O \nATOM 306 HA GLU A 36 7.763 7.784 65.060 1.00 0.11 H \nATOM 307 HB2 GLU A 36 5.214 9.227 65.909 1.00 -0.02 H \nATOM 308 HB3 GLU A 36 5.602 7.529 66.349 1.00 -0.02 H \nATOM 309 HG2 GLU A 36 6.325 8.614 68.232 1.00 -0.04 H \nATOM 310 HG3 GLU A 36 7.837 8.621 67.261 1.00 -0.04 H \nATOM 311 H GLU A 36 7.019 10.494 64.868 1.00 0.29 H \nATOM 312 N GLU A 37 5.287 8.332 62.979 1.00 -0.52 N \nATOM 313 CA GLU A 37 4.472 7.713 61.934 1.00 0.04 C \nATOM 314 C GLU A 37 5.362 7.415 60.724 1.00 0.54 C \nATOM 315 O GLU A 37 4.885 7.057 59.648 1.00 -0.58 O \nATOM 316 CB GLU A 37 3.323 8.647 61.538 1.00 0.06 C \nATOM 317 CG GLU A 37 2.617 9.325 62.722 1.00 0.01 C \nATOM 318 CD GLU A 37 1.954 8.346 63.681 1.00 0.81 C \nATOM 319 OE1 GLU A 37 2.658 7.466 64.219 1.00 -0.82 O \nATOM 320 OE2 GLU A 37 0.726 8.462 63.903 1.00 -0.82 O \nATOM 321 HA GLU A 37 4.051 6.770 62.313 1.00 0.11 H \nATOM 322 HB2 GLU A 37 3.729 9.433 60.884 1.00 -0.02 H \nATOM 323 HB3 GLU A 37 2.577 8.058 60.984 1.00 -0.02 H \nATOM 324 HG2 GLU A 37 3.362 9.909 63.282 1.00 -0.04 H \nATOM 325 HG3 GLU A 37 1.844 10.000 62.325 1.00 -0.04 H \nATOM 326 H GLU A 37 5.261 9.325 63.094 1.00 0.29 H \nATOM 327 N ASN A 38 6.668 7.575 60.927 1.00 -0.42 N \nATOM 328 CA ASN A 38 7.687 7.323 59.910 1.00 0.01 C \nATOM 329 C ASN A 38 7.673 8.221 58.675 1.00 0.60 C \nATOM 330 O ASN A 38 8.114 7.813 57.597 1.00 -0.57 O \nATOM 331 CB ASN A 38 7.633 5.867 59.452 1.00 -0.20 C \nATOM 332 CG ASN A 38 8.989 5.204 59.502 1.00 0.71 C \nATOM 333 OD1 ASN A 38 9.418 4.714 60.553 1.00 -0.59 O \nATOM 334 ND2 ASN A 38 9.687 5.202 58.371 1.00 -0.92 N \nATOM 335 HA ASN A 38 8.657 7.485 60.403 1.00 0.10 H \nATOM 336 HB2 ASN A 38 6.944 5.314 60.108 1.00 0.08 H \nATOM 337 HB3 ASN A 38 7.260 5.834 58.418 1.00 0.08 H \nATOM 338 HD22 ASN A 38 10.592 4.778 58.343 1.00 0.42 H \nATOM 339 HD21 ASN A 38 9.307 5.625 57.548 1.00 0.42 H \nATOM 340 H ASN A 38 6.970 7.886 61.828 1.00 0.27 H \nATOM 341 N GLU A 39 7.178 9.442 58.826 1.00 -0.52 N \nATOM 342 CA GLU A 39 7.134 10.369 57.706 1.00 0.04 C \nATOM 343 C GLU A 39 8.018 11.601 57.920 1.00 0.54 C \nATOM 344 O GLU A 39 8.156 12.111 59.035 1.00 -0.58 O \nATOM 345 CB GLU A 39 5.684 10.775 57.418 1.00 0.06 C \nATOM 346 CG GLU A 39 4.775 10.798 58.640 1.00 0.01 C \nATOM 347 CD GLU A 39 3.299 10.812 58.271 1.00 0.81 C \nATOM 348 OE1 GLU A 39 2.849 9.878 57.559 1.00 -0.82 O \nATOM 349 OE2 GLU A 39 2.590 11.758 58.694 1.00 -0.82 O \nATOM 350 HA GLU A 39 7.519 9.839 56.822 1.00 0.11 H \nATOM 351 HB2 GLU A 39 5.691 11.783 56.977 1.00 -0.02 H \nATOM 352 HB3 GLU A 39 5.266 10.061 56.693 1.00 -0.02 H \nATOM 353 HG2 GLU A 39 4.978 9.903 59.247 1.00 -0.04 H \nATOM 354 HG3 GLU A 39 4.999 11.699 59.229 1.00 -0.04 H \nATOM 355 H GLU A 39 6.831 9.728 59.719 1.00 0.29 H \nATOM 356 N GLY A 40 8.632 12.062 56.837 1.00 -0.42 N \nATOM 357 CA GLY A 40 9.498 13.214 56.924 1.00 -0.03 C \nATOM 358 C GLY A 40 8.730 14.486 57.198 1.00 0.60 C \nATOM 359 O GLY A 40 7.643 14.697 56.656 1.00 -0.57 O \nATOM 360 HA3 GLY A 40 10.220 13.054 57.738 1.00 0.07 H \nATOM 361 HA2 GLY A 40 10.038 13.324 55.972 1.00 0.07 H \nATOM 362 H GLY A 40 8.494 11.609 55.956 1.00 0.27 H \nATOM 363 N PHE A 41 9.289 15.328 58.062 1.00 -0.42 N \nATOM 364 CA PHE A 41 8.673 16.606 58.393 1.00 -0.00 C \nATOM 365 C PHE A 41 9.716 17.705 58.210 1.00 0.60 C \nATOM 366 O PHE A 41 9.389 18.885 58.186 1.00 -0.57 O \nATOM 367 CB PHE A 41 8.113 16.593 59.825 1.00 -0.03 C \nATOM 368 CG PHE A 41 9.141 16.355 60.882 1.00 0.01 C \nATOM 369 CD1 PHE A 41 9.859 17.419 61.428 1.00 -0.13 C \nATOM 370 CD2 PHE A 41 9.387 15.064 61.345 1.00 -0.13 C \nATOM 371 CE1 PHE A 41 10.807 17.198 62.422 1.00 -0.17 C \nATOM 372 CE2 PHE A 41 10.329 14.833 62.331 1.00 -0.17 C \nATOM 373 CZ PHE A 41 11.039 15.894 62.874 1.00 -0.11 C \nATOM 374 HA PHE A 41 7.840 16.790 57.699 1.00 0.10 H \nATOM 375 HB2 PHE A 41 7.638 17.566 60.019 1.00 0.03 H \nATOM 376 HB3 PHE A 41 7.358 15.796 59.893 1.00 0.03 H \nATOM 377 HD2 PHE A 41 8.833 14.231 60.927 1.00 0.13 H \nATOM 378 HE2 PHE A 41 10.513 13.823 62.679 1.00 0.14 H \nATOM 379 HZ PHE A 41 11.774 15.713 63.649 1.00 0.13 H \nATOM 380 HE1 PHE A 41 11.361 18.029 62.843 1.00 0.14 H \nATOM 381 HD1 PHE A 41 9.677 18.427 61.075 1.00 0.13 H \nATOM 382 H PHE A 41 10.155 15.078 58.496 1.00 0.27 H \nATOM 383 N CYS A 42 10.978 17.310 58.068 1.00 -0.42 N \nATOM 384 CA CYS A 42 12.056 18.277 57.843 1.00 0.02 C \nATOM 385 C CYS A 42 13.275 17.620 57.224 1.00 0.60 C \nATOM 386 O CYS A 42 13.366 16.391 57.173 1.00 -0.57 O \nATOM 387 CB CYS A 42 12.460 18.976 59.142 1.00 -0.12 C \nATOM 388 SG CYS A 42 11.449 20.419 59.545 1.00 -0.31 S \nATOM 389 HA CYS A 42 11.684 19.039 57.143 1.00 0.11 H \nATOM 390 HB2 CYS A 42 12.374 18.252 59.966 1.00 0.11 H \nATOM 391 HB3 CYS A 42 13.506 19.302 59.049 1.00 0.11 H \nATOM 392 HG CYS A 42 11.772 20.825 60.409 1.00 0.19 H \nATOM 393 H CYS A 42 11.195 16.335 58.116 1.00 0.27 H \nATOM 394 N GLY A 43 14.198 18.447 56.741 1.00 -0.42 N \nATOM 395 CA GLY A 43 15.400 17.923 56.136 1.00 -0.03 C \nATOM 396 C GLY A 43 16.573 18.156 57.059 1.00 0.60 C \nATOM 397 O GLY A 43 16.413 18.615 58.189 1.00 -0.57 O \nATOM 398 HA3 GLY A 43 15.281 16.844 55.960 1.00 0.07 H \nATOM 399 HA2 GLY A 43 15.581 18.433 55.178 1.00 0.07 H \nATOM 400 H GLY A 43 14.059 19.436 56.797 1.00 0.27 H \nATOM 401 N GLY A 44 17.755 17.830 56.562 1.00 -0.42 N \nATOM 402 CA GLY A 44 18.970 18.004 57.321 1.00 -0.03 C \nATOM 403 C GLY A 44 20.106 17.791 56.353 1.00 0.60 C \nATOM 404 O GLY A 44 19.870 17.402 55.209 1.00 -0.57 O \nATOM 405 HA3 GLY A 44 19.014 19.019 57.743 1.00 0.07 H \nATOM 406 HA2 GLY A 44 19.020 17.266 58.135 1.00 0.07 H \nATOM 407 H GLY A 44 17.808 17.454 55.637 1.00 0.27 H \nATOM 408 N THR A 45 21.331 18.068 56.793 1.00 -0.42 N \nATOM 409 CA THR A 45 22.509 17.873 55.951 1.00 -0.04 C \nATOM 410 C THR A 45 23.525 17.046 56.718 1.00 0.60 C \nATOM 411 O THR A 45 23.805 17.321 57.885 1.00 -0.57 O \nATOM 412 CB THR A 45 23.198 19.192 55.588 1.00 0.37 C \nATOM 413 OG1 THR A 45 22.254 20.072 54.970 1.00 -0.68 O \nATOM 414 CG2 THR A 45 24.367 18.936 54.631 1.00 -0.24 C \nATOM 415 HA THR A 45 22.210 17.350 55.030 1.00 0.10 H \nATOM 416 HB THR A 45 23.582 19.661 56.506 1.00 0.00 H \nATOM 417 HG1 THR A 45 22.683 20.889 54.746 1.00 0.41 H \nATOM 418 HG23 THR A 45 25.309 18.916 55.199 1.00 0.06 H \nATOM 419 HG21 THR A 45 24.223 17.969 54.126 1.00 0.06 H \nATOM 420 HG22 THR A 45 24.409 19.739 53.880 1.00 0.06 H \nATOM 421 H THR A 45 21.448 18.418 57.722 1.00 0.27 H \nATOM 422 N ILE A 46 24.070 16.028 56.063 1.00 -0.42 N \nATOM 423 CA ILE A 46 25.072 15.190 56.698 1.00 -0.06 C \nATOM 424 C ILE A 46 26.384 15.971 56.724 1.00 0.60 C \nATOM 425 O ILE A 46 26.886 16.395 55.678 1.00 -0.57 O \nATOM 426 CB ILE A 46 25.293 13.877 55.913 1.00 0.13 C \nATOM 427 CG1 ILE A 46 23.980 13.090 55.831 1.00 -0.04 C \nATOM 428 CG2 ILE A 46 26.362 13.040 56.602 1.00 -0.32 C \nATOM 429 CD1 ILE A 46 24.049 11.875 54.927 1.00 -0.07 C \nATOM 430 HA ILE A 46 24.754 14.951 57.724 1.00 0.09 H \nATOM 431 HB ILE A 46 25.629 14.120 54.894 1.00 0.02 H \nATOM 432 HG12 ILE A 46 23.714 12.754 56.844 1.00 0.02 H \nATOM 433 HG13 ILE A 46 23.197 13.762 55.450 1.00 0.02 H \nATOM 434 HD11 ILE A 46 24.827 11.189 55.293 1.00 0.02 H \nATOM 435 HD12 ILE A 46 23.077 11.361 54.929 1.00 0.02 H \nATOM 436 HD13 ILE A 46 24.293 12.193 53.903 1.00 0.02 H \nATOM 437 HG21 ILE A 46 26.043 12.811 57.629 1.00 0.09 H \nATOM 438 HG22 ILE A 46 26.509 12.102 56.046 1.00 0.09 H \nATOM 439 HG23 ILE A 46 27.307 13.602 56.629 1.00 0.09 H \nATOM 440 H ILE A 46 23.788 15.836 55.123 1.00 0.27 H \nATOM 441 N LEU A 47 26.932 16.166 57.919 1.00 -0.42 N \nATOM 442 CA LEU A 47 28.198 16.880 58.081 1.00 -0.05 C \nATOM 443 C LEU A 47 29.346 15.897 58.314 1.00 0.60 C \nATOM 444 O LEU A 47 30.484 16.164 57.941 1.00 -0.57 O \nATOM 445 CB LEU A 47 28.120 17.853 59.261 1.00 -0.11 C \nATOM 446 CG LEU A 47 27.121 19.010 59.166 1.00 0.35 C \nATOM 447 CD1 LEU A 47 27.250 19.878 60.422 1.00 -0.41 C \nATOM 448 CD2 LEU A 47 27.377 19.824 57.892 1.00 -0.41 C \nATOM 449 HA LEU A 47 28.399 17.450 57.162 1.00 0.09 H \nATOM 450 HB2 LEU A 47 27.859 17.266 60.154 1.00 0.05 H \nATOM 451 HB3 LEU A 47 29.120 18.293 59.391 1.00 0.05 H \nATOM 452 HG LEU A 47 26.101 18.601 59.121 1.00 -0.04 H \nATOM 453 HD21 LEU A 47 27.271 19.172 57.013 1.00 0.10 H \nATOM 454 HD22 LEU A 47 26.648 20.645 57.829 1.00 0.10 H \nATOM 455 HD23 LEU A 47 28.395 20.239 57.921 1.00 0.10 H \nATOM 456 HD11 LEU A 47 28.277 20.266 60.496 1.00 0.10 H \nATOM 457 HD12 LEU A 47 26.544 20.719 60.361 1.00 0.10 H \nATOM 458 HD13 LEU A 47 27.022 19.272 61.311 1.00 0.10 H \nATOM 459 H LEU A 47 26.465 15.814 58.731 1.00 0.27 H \nATOM 460 N SER A 48 29.037 14.768 58.947 1.00 -0.42 N \nATOM 461 CA SER A 48 30.035 13.738 59.233 1.00 -0.02 C \nATOM 462 C SER A 48 29.315 12.434 59.561 1.00 0.60 C \nATOM 463 O SER A 48 28.091 12.375 59.525 1.00 -0.57 O \nATOM 464 CB SER A 48 30.901 14.150 60.413 1.00 0.21 C \nATOM 465 OG SER A 48 30.132 14.127 61.595 1.00 -0.65 O \nATOM 466 HA SER A 48 30.673 13.593 58.349 1.00 0.08 H \nATOM 467 HB2 SER A 48 31.744 13.450 60.511 1.00 0.04 H \nATOM 468 HB3 SER A 48 31.287 15.167 60.247 1.00 0.04 H \nATOM 469 HG SER A 48 30.675 14.385 62.331 1.00 0.43 H \nATOM 470 H SER A 48 28.092 14.619 59.237 1.00 0.27 H \nATOM 471 N GLU A 49 30.061 11.390 59.893 1.00 -0.52 N \nATOM 472 CA GLU A 49 29.419 10.121 60.180 1.00 0.04 C \nATOM 473 C GLU A 49 28.490 10.211 61.378 1.00 0.54 C \nATOM 474 O GLU A 49 27.525 9.453 61.466 1.00 -0.58 O \nATOM 475 CB GLU A 49 30.466 9.017 60.383 1.00 0.06 C \nATOM 476 CG GLU A 49 31.320 9.143 61.635 1.00 0.01 C \nATOM 477 CD GLU A 49 32.534 8.220 61.613 1.00 0.81 C \nATOM 478 OE1 GLU A 49 32.471 7.151 60.973 1.00 -0.82 O \nATOM 479 OE2 GLU A 49 33.552 8.559 62.243 1.00 -0.82 O \nATOM 480 HA GLU A 49 28.809 9.851 59.305 1.00 0.11 H \nATOM 481 HB2 GLU A 49 29.937 8.054 60.430 1.00 -0.02 H \nATOM 482 HB3 GLU A 49 31.139 9.024 59.513 1.00 -0.02 H \nATOM 483 HG2 GLU A 49 31.669 10.183 61.720 1.00 -0.04 H \nATOM 484 HG3 GLU A 49 30.702 8.891 62.510 1.00 -0.04 H \nATOM 485 H GLU A 49 31.056 11.476 59.945 1.00 0.29 H \nATOM 486 N PHE A 50 28.749 11.152 62.281 1.00 -0.42 N \nATOM 487 CA PHE A 50 27.915 11.293 63.481 1.00 -0.00 C \nATOM 488 C PHE A 50 27.013 12.518 63.577 1.00 0.60 C \nATOM 489 O PHE A 50 26.106 12.544 64.401 1.00 -0.57 O \nATOM 490 CB PHE A 50 28.793 11.280 64.737 1.00 -0.03 C \nATOM 491 CG PHE A 50 29.272 9.920 65.134 1.00 0.01 C \nATOM 492 CD1 PHE A 50 28.385 8.969 65.634 1.00 -0.13 C \nATOM 493 CD2 PHE A 50 30.616 9.589 65.010 1.00 -0.13 C \nATOM 494 CE1 PHE A 50 28.838 7.698 66.005 1.00 -0.17 C \nATOM 495 CE2 PHE A 50 31.081 8.332 65.376 1.00 -0.17 C \nATOM 496 CZ PHE A 50 30.193 7.382 65.874 1.00 -0.11 C \nATOM 497 HA PHE A 50 27.259 10.411 63.507 1.00 0.10 H \nATOM 498 HB2 PHE A 50 29.672 11.915 64.551 1.00 0.03 H \nATOM 499 HB3 PHE A 50 28.209 11.697 65.571 1.00 0.03 H \nATOM 500 HD2 PHE A 50 31.313 10.323 64.622 1.00 0.13 H \nATOM 501 HE2 PHE A 50 32.133 8.091 65.274 1.00 0.14 H \nATOM 502 HZ PHE A 50 30.552 6.400 66.159 1.00 0.13 H \nATOM 503 HE1 PHE A 50 28.142 6.963 66.392 1.00 0.14 H \nATOM 504 HD1 PHE A 50 27.334 9.216 65.737 1.00 0.13 H \nATOM 505 H PHE A 50 29.522 11.771 62.141 1.00 0.27 H \nATOM 506 N TYR A 51 27.236 13.524 62.738 1.00 -0.42 N \nATOM 507 CA TYR A 51 26.461 14.758 62.835 1.00 -0.00 C \nATOM 508 C TYR A 51 25.602 15.194 61.669 1.00 0.60 C \nATOM 509 O TYR A 51 26.021 15.147 60.511 1.00 -0.57 O \nATOM 510 CB TYR A 51 27.404 15.897 63.176 1.00 -0.02 C \nATOM 511 CG TYR A 51 28.006 15.760 64.542 1.00 -0.00 C \nATOM 512 CD1 TYR A 51 27.271 16.102 65.678 1.00 -0.19 C \nATOM 513 CD2 TYR A 51 29.307 15.276 64.709 1.00 -0.19 C \nATOM 514 CE1 TYR A 51 27.808 15.971 66.947 1.00 -0.23 C \nATOM 515 CE2 TYR A 51 29.856 15.136 65.979 1.00 -0.23 C \nATOM 516 CZ TYR A 51 29.097 15.487 67.097 1.00 0.32 C \nATOM 517 OH TYR A 51 29.609 15.333 68.368 1.00 -0.56 O \nATOM 518 HA TYR A 51 25.773 14.616 63.682 1.00 0.09 H \nATOM 519 HB3 TYR A 51 28.216 15.916 62.434 1.00 0.03 H \nATOM 520 HB2 TYR A 51 26.844 16.843 63.131 1.00 0.03 H \nATOM 521 HD2 TYR A 51 29.894 15.007 63.839 1.00 0.17 H \nATOM 522 HE2 TYR A 51 30.865 14.758 66.100 1.00 0.17 H \nATOM 523 HE1 TYR A 51 27.224 16.245 67.818 1.00 0.17 H \nATOM 524 HD1 TYR A 51 26.260 16.477 65.564 1.00 0.17 H \nATOM 525 HH TYR A 51 28.965 15.617 69.006 1.00 0.40 H \nATOM 526 H TYR A 51 27.941 13.435 62.034 1.00 0.27 H \nATOM 527 N ILE A 52 24.404 15.658 62.014 1.00 -0.42 N \nATOM 528 CA ILE A 52 23.421 16.152 61.059 1.00 -0.06 C \nATOM 529 C ILE A 52 23.166 17.628 61.355 1.00 0.60 C \nATOM 530 O ILE A 52 23.065 18.019 62.516 1.00 -0.57 O \nATOM 531 CB ILE A 52 22.069 15.403 61.199 1.00 0.13 C \nATOM 532 CG1 ILE A 52 22.256 13.906 60.909 1.00 -0.04 C \nATOM 533 CG2 ILE A 52 21.027 16.026 60.273 1.00 -0.32 C \nATOM 534 CD1 ILE A 52 22.807 13.577 59.527 1.00 -0.07 C \nATOM 535 HA ILE A 52 23.808 16.029 60.037 1.00 0.09 H \nATOM 536 HB ILE A 52 21.717 15.510 62.235 1.00 0.02 H \nATOM 537 HG12 ILE A 52 22.951 13.498 61.658 1.00 0.02 H \nATOM 538 HG13 ILE A 52 21.277 13.415 61.011 1.00 0.02 H \nATOM 539 HD11 ILE A 52 23.790 14.054 59.401 1.00 0.02 H \nATOM 540 HD12 ILE A 52 22.912 12.487 59.424 1.00 0.02 H \nATOM 541 HD13 ILE A 52 22.116 13.953 58.758 1.00 0.02 H \nATOM 542 HG21 ILE A 52 21.378 15.964 59.232 1.00 0.09 H \nATOM 543 HG22 ILE A 52 20.076 15.482 60.372 1.00 0.09 H \nATOM 544 HG23 ILE A 52 20.876 17.080 60.547 1.00 0.09 H \nATOM 545 H ILE A 52 24.164 15.668 62.985 1.00 0.27 H \nATOM 546 N LEU A 53 23.073 18.443 60.310 1.00 -0.42 N \nATOM 547 CA LEU A 53 22.798 19.871 60.465 1.00 -0.05 C \nATOM 548 C LEU A 53 21.355 20.121 60.036 1.00 0.60 C \nATOM 549 O LEU A 53 20.966 19.723 58.939 1.00 -0.57 O \nATOM 550 CB LEU A 53 23.734 20.694 59.574 1.00 -0.11 C \nATOM 551 CG LEU A 53 23.622 22.222 59.641 1.00 0.35 C \nATOM 552 CD1 LEU A 53 24.038 22.706 61.025 1.00 -0.41 C \nATOM 553 CD2 LEU A 53 24.515 22.848 58.559 1.00 -0.41 C \nATOM 554 HA LEU A 53 22.936 20.165 61.516 1.00 0.09 H \nATOM 555 HB2 LEU A 53 24.766 20.428 59.847 1.00 0.05 H \nATOM 556 HB3 LEU A 53 23.542 20.396 58.533 1.00 0.05 H \nATOM 557 HG LEU A 53 22.578 22.516 59.458 1.00 -0.04 H \nATOM 558 HD21 LEU A 53 24.196 22.491 57.569 1.00 0.10 H \nATOM 559 HD22 LEU A 53 24.427 23.944 58.600 1.00 0.10 H \nATOM 560 HD23 LEU A 53 25.561 22.557 58.734 1.00 0.10 H \nATOM 561 HD11 LEU A 53 25.075 22.398 61.225 1.00 0.10 H \nATOM 562 HD12 LEU A 53 23.966 23.803 61.067 1.00 0.10 H \nATOM 563 HD13 LEU A 53 23.373 22.266 61.783 1.00 0.10 H \nATOM 564 H LEU A 53 23.195 18.069 59.391 1.00 0.27 H \nATOM 565 N THR A 54 20.565 20.774 60.886 1.00 -0.42 N \nATOM 566 CA THR A 54 19.171 21.055 60.552 1.00 -0.04 C \nATOM 567 C THR A 54 18.742 22.408 61.129 1.00 0.60 C \nATOM 568 O THR A 54 19.573 23.160 61.657 1.00 -0.57 O \nATOM 569 CB THR A 54 18.248 19.933 61.090 1.00 0.37 C \nATOM 570 OG1 THR A 54 16.914 20.119 60.599 1.00 -0.68 O \nATOM 571 CG2 THR A 54 18.229 19.945 62.615 1.00 -0.24 C \nATOM 572 HA THR A 54 19.075 21.094 59.457 1.00 0.10 H \nATOM 573 HB THR A 54 18.628 18.961 60.743 1.00 0.00 H \nATOM 574 HG1 THR A 54 16.354 19.428 60.933 1.00 0.41 H \nATOM 575 HG23 THR A 54 18.923 19.181 62.996 1.00 0.06 H \nATOM 576 HG21 THR A 54 18.539 20.936 62.978 1.00 0.06 H \nATOM 577 HG22 THR A 54 17.211 19.726 62.971 1.00 0.06 H \nATOM 578 H THR A 54 20.931 21.076 61.766 1.00 0.27 H \nATOM 579 N ALA A 55 17.452 22.725 61.003 1.00 -0.42 N \nATOM 580 CA ALA A 55 16.919 23.979 61.533 1.00 0.03 C \nATOM 581 C ALA A 55 16.440 23.757 62.966 1.00 0.60 C \nATOM 582 O ALA A 55 15.879 22.712 63.279 1.00 -0.57 O \nATOM 583 CB ALA A 55 15.766 24.468 60.672 1.00 -0.18 C \nATOM 584 HA ALA A 55 17.715 24.738 61.531 1.00 0.08 H \nATOM 585 HB1 ALA A 55 15.376 25.411 61.083 1.00 0.06 H \nATOM 586 HB2 ALA A 55 16.121 24.635 59.644 1.00 0.06 H \nATOM 587 HB3 ALA A 55 14.967 23.712 60.666 1.00 0.06 H \nATOM 588 H ALA A 55 16.836 22.091 60.536 1.00 0.27 H \nATOM 589 N ALA A 56 16.672 24.737 63.834 1.00 -0.42 N \nATOM 590 CA ALA A 56 16.245 24.634 65.226 1.00 0.03 C \nATOM 591 C ALA A 56 14.725 24.597 65.337 1.00 0.60 C \nATOM 592 O ALA A 56 14.189 23.975 66.248 1.00 -0.57 O \nATOM 593 CB ALA A 56 16.797 25.801 66.037 1.00 -0.18 C \nATOM 594 HA ALA A 56 16.646 23.698 65.642 1.00 0.08 H \nATOM 595 HB1 ALA A 56 16.467 25.710 67.082 1.00 0.06 H \nATOM 596 HB2 ALA A 56 17.896 25.788 65.997 1.00 0.06 H \nATOM 597 HB3 ALA A 56 16.426 26.747 65.617 1.00 0.06 H \nATOM 598 H ALA A 56 17.148 25.561 63.527 1.00 0.27 H \nATOM 599 N HIS A 57 14.031 25.252 64.410 1.00 -0.42 N \nATOM 600 CA HIS A 57 12.578 25.272 64.459 1.00 0.02 C \nATOM 601 C HIS A 57 11.950 23.923 64.144 1.00 0.60 C \nATOM 602 O HIS A 57 10.779 23.697 64.422 1.00 -0.57 O \nATOM 603 CB HIS A 57 12.001 26.361 63.527 1.00 -0.05 C \nATOM 604 CG HIS A 57 11.804 25.931 62.103 1.00 -0.03 C \nATOM 605 ND1 HIS A 57 12.657 26.308 61.088 1.00 -0.38 N \nATOM 606 CD2 HIS A 57 10.815 25.216 61.514 1.00 0.13 C \nATOM 607 CE1 HIS A 57 12.200 25.849 59.936 1.00 0.21 C \nATOM 608 NE2 HIS A 57 11.084 25.182 60.167 1.00 -0.57 N \nATOM 609 HA HIS A 57 12.294 25.531 65.490 1.00 0.09 H \nATOM 610 HB2 HIS A 57 11.026 26.673 63.928 1.00 0.04 H \nATOM 611 HB3 HIS A 57 12.691 27.218 63.533 1.00 0.04 H \nATOM 612 HD2 HIS A 57 9.965 24.754 62.015 1.00 0.11 H \nATOM 613 HE1 HIS A 57 12.665 25.996 58.962 1.00 0.14 H \nATOM 614 HD1 HIS A 57 13.517 26.862 61.209 1.00 0.36 H \nATOM 615 H HIS A 57 14.511 25.733 63.676 1.00 0.27 H \nATOM 616 N CYS A 58 12.727 23.016 63.569 1.00 -0.42 N \nATOM 617 CA CYS A 58 12.208 21.692 63.238 1.00 0.02 C \nATOM 618 C CYS A 58 12.051 20.811 64.468 1.00 0.60 C \nATOM 619 O CYS A 58 11.266 19.864 64.465 1.00 -0.57 O \nATOM 620 CB CYS A 58 13.128 20.990 62.232 1.00 -0.12 C \nATOM 621 SG CYS A 58 13.245 21.821 60.642 1.00 -0.31 S \nATOM 622 HA CYS A 58 11.217 21.821 62.777 1.00 0.11 H \nATOM 623 HB2 CYS A 58 14.137 20.933 62.667 1.00 0.11 H \nATOM 624 HB3 CYS A 58 12.744 19.973 62.063 1.00 0.11 H \nATOM 625 HG CYS A 58 13.864 21.304 60.037 1.00 0.19 H \nATOM 626 H CYS A 58 13.679 23.241 63.360 1.00 0.27 H \nATOM 627 N LEU A 59 12.808 21.123 65.512 1.00 -0.42 N \nATOM 628 CA LEU A 59 12.768 20.358 66.755 1.00 -0.05 C \nATOM 629 C LEU A 59 11.450 20.579 67.503 1.00 0.60 C \nATOM 630 O LEU A 59 11.210 19.980 68.552 1.00 -0.57 O \nATOM 631 CB LEU A 59 13.959 20.751 67.637 1.00 -0.11 C \nATOM 632 CG LEU A 59 15.313 20.753 66.913 1.00 0.35 C \nATOM 633 CD1 LEU A 59 16.346 21.427 67.794 1.00 -0.41 C \nATOM 634 CD2 LEU A 59 15.732 19.342 66.547 1.00 -0.41 C \nATOM 635 HA LEU A 59 12.850 19.289 66.509 1.00 0.09 H \nATOM 636 HB2 LEU A 59 13.777 21.763 68.029 1.00 0.05 H \nATOM 637 HB3 LEU A 59 14.017 20.039 68.473 1.00 0.05 H \nATOM 638 HG LEU A 59 15.214 21.333 65.984 1.00 -0.04 H \nATOM 639 HD21 LEU A 59 14.972 18.892 65.892 1.00 0.10 H \nATOM 640 HD22 LEU A 59 16.698 19.371 66.021 1.00 0.10 H \nATOM 641 HD23 LEU A 59 15.830 18.740 67.462 1.00 0.10 H \nATOM 642 HD11 LEU A 59 16.427 20.883 68.746 1.00 0.10 H \nATOM 643 HD12 LEU A 59 17.321 21.423 67.285 1.00 0.10 H \nATOM 644 HD13 LEU A 59 16.040 22.465 67.990 1.00 0.10 H \nATOM 645 H LEU A 59 13.425 21.907 65.445 1.00 0.27 H \nATOM 646 N TYR A 60 10.602 21.443 66.953 1.00 -0.42 N \nATOM 647 CA TYR A 60 9.298 21.742 67.543 1.00 -0.00 C \nATOM 648 C TYR A 60 8.199 21.048 66.729 1.00 0.60 C \nATOM 649 O TYR A 60 7.006 21.252 66.981 1.00 -0.57 O \nATOM 650 CB TYR A 60 9.043 23.260 67.544 1.00 -0.02 C \nATOM 651 CG TYR A 60 10.044 24.059 68.345 1.00 -0.00 C \nATOM 652 CD1 TYR A 60 11.409 23.993 68.056 1.00 -0.19 C \nATOM 653 CD2 TYR A 60 9.633 24.859 69.413 1.00 -0.19 C \nATOM 654 CE1 TYR A 60 12.341 24.698 68.809 1.00 -0.23 C \nATOM 655 CE2 TYR A 60 10.557 25.573 70.174 1.00 -0.23 C \nATOM 656 CZ TYR A 60 11.909 25.484 69.866 1.00 0.32 C \nATOM 657 OH TYR A 60 12.826 26.179 70.619 1.00 -0.56 O \nATOM 658 HA TYR A 60 9.276 21.371 68.578 1.00 0.09 H \nATOM 659 HB3 TYR A 60 9.073 23.615 66.503 1.00 0.03 H \nATOM 660 HB2 TYR A 60 8.043 23.441 67.964 1.00 0.03 H \nATOM 661 HD2 TYR A 60 8.578 24.926 69.654 1.00 0.17 H \nATOM 662 HE2 TYR A 60 10.224 26.192 70.999 1.00 0.17 H \nATOM 663 HE1 TYR A 60 13.397 24.634 68.572 1.00 0.17 H \nATOM 664 HD1 TYR A 60 11.748 23.380 67.229 1.00 0.17 H \nATOM 665 HH TYR A 60 13.700 26.016 70.284 1.00 0.40 H \nATOM 666 H TYR A 60 10.865 21.905 66.106 1.00 0.27 H \nATOM 667 N GLN A 61 8.613 20.224 65.763 1.00 -0.42 N \nATOM 668 CA GLN A 61 7.681 19.525 64.876 1.00 -0.00 C \nATOM 669 C GLN A 61 7.425 18.051 65.212 1.00 0.60 C \nATOM 670 O GLN A 61 6.714 17.361 64.477 1.00 -0.57 O \nATOM 671 CB GLN A 61 8.175 19.616 63.424 1.00 -0.00 C \nATOM 672 CG GLN A 61 8.626 21.004 62.960 1.00 -0.06 C \nATOM 673 CD GLN A 61 7.524 22.050 63.021 1.00 0.70 C \nATOM 674 OE1 GLN A 61 6.411 21.823 62.540 1.00 -0.61 O \nATOM 675 NE2 GLN A 61 7.834 23.210 63.601 1.00 -0.94 N \nATOM 676 HA GLN A 61 6.716 20.048 64.948 1.00 0.09 H \nATOM 677 HB2 GLN A 61 9.027 18.930 63.314 1.00 0.02 H \nATOM 678 HB3 GLN A 61 7.355 19.290 62.767 1.00 0.02 H \nATOM 679 HG2 GLN A 61 9.456 21.334 63.603 1.00 0.04 H \nATOM 680 HG3 GLN A 61 8.976 20.927 61.920 1.00 0.04 H \nATOM 681 HE22 GLN A 61 7.148 23.934 63.669 1.00 0.43 H \nATOM 682 HE21 GLN A 61 8.753 23.356 63.968 1.00 0.43 H \nATOM 683 H GLN A 61 9.595 20.079 65.641 1.00 0.27 H \nATOM 684 N ALA A 61A 8.008 17.559 66.299 1.00 -0.42 N \nATOM 685 CA ALA A 61A 7.803 16.166 66.689 1.00 0.03 C \nATOM 686 C ALA A 61A 8.454 15.872 68.036 1.00 0.60 C \nATOM 687 O ALA A 61A 9.601 16.252 68.290 1.00 -0.57 O \nATOM 688 CB ALA A 61A 8.355 15.218 65.611 1.00 -0.18 C \nATOM 689 HA ALA A 61A 6.721 15.991 66.784 1.00 0.08 H \nATOM 690 HB1 ALA A 61A 8.192 14.175 65.921 1.00 0.06 H \nATOM 691 HB2 ALA A 61A 7.835 15.403 64.659 1.00 0.06 H \nATOM 692 HB3 ALA A 61A 9.432 15.398 65.481 1.00 0.06 H \nATOM 693 H ALA A 61A 8.593 18.148 66.856 1.00 0.27 H \nATOM 694 N LYS A 62 7.705 15.193 68.900 1.00 -0.35 N \nATOM 695 CA LYS A 62 8.192 14.847 70.226 1.00 -0.24 C \nATOM 696 C LYS A 62 9.346 13.854 70.127 1.00 0.73 C \nATOM 697 O LYS A 62 10.275 13.885 70.930 1.00 -0.59 O \nATOM 698 CB LYS A 62 7.056 14.247 71.058 1.00 -0.01 C \nATOM 699 CG LYS A 62 5.818 15.120 71.120 1.00 0.02 C \nATOM 700 CD LYS A 62 4.713 14.439 71.910 1.00 -0.05 C \nATOM 701 CE LYS A 62 3.416 15.225 71.825 1.00 -0.01 C \nATOM 702 NZ LYS A 62 2.949 15.342 70.416 1.00 -0.39 N \nATOM 703 HA LYS A 62 8.552 15.761 70.721 1.00 0.14 H \nATOM 704 HB2 LYS A 62 6.776 13.279 70.617 1.00 0.04 H \nATOM 705 HB3 LYS A 62 7.422 14.090 72.083 1.00 0.04 H \nATOM 706 HG2 LYS A 62 6.073 16.073 71.606 1.00 0.01 H \nATOM 707 HG3 LYS A 62 5.462 15.314 70.097 1.00 0.01 H \nATOM 708 HD2 LYS A 62 4.549 13.430 71.503 1.00 0.06 H \nATOM 709 HD3 LYS A 62 5.019 14.364 72.964 1.00 0.06 H \nATOM 710 HE2 LYS A 62 2.645 14.710 72.417 1.00 0.11 H \nATOM 711 HE3 LYS A 62 3.580 16.233 72.234 1.00 0.11 H \nATOM 712 HZ1 LYS A 62 2.802 14.421 70.033 1.00 0.34 H \nATOM 713 HZ2 LYS A 62 2.084 15.859 70.391 1.00 0.34 H \nATOM 714 HZ3 LYS A 62 3.645 15.825 69.870 1.00 0.34 H \nATOM 715 H LYS A 62 6.783 14.913 68.631 1.00 0.27 H \nATOM 716 N ARG A 63 9.280 12.976 69.132 1.00 -0.35 N \nATOM 717 CA ARG A 63 10.309 11.962 68.925 1.00 -0.26 C \nATOM 718 C ARG A 63 10.542 11.823 67.433 1.00 0.73 C \nATOM 719 O ARG A 63 9.588 11.761 66.661 1.00 -0.59 O \nATOM 720 CB ARG A 63 9.838 10.610 69.466 1.00 -0.00 C \nATOM 721 CG ARG A 63 9.161 10.674 70.822 1.00 0.04 C \nATOM 722 CD ARG A 63 10.057 10.108 71.908 1.00 0.05 C \nATOM 723 NE ARG A 63 11.387 10.710 71.896 1.00 -0.53 N \nATOM 724 CZ ARG A 63 12.366 10.364 72.725 1.00 0.81 C \nATOM 725 NH1 ARG A 63 12.161 9.415 73.635 1.00 -0.86 N \nATOM 726 NH2 ARG A 63 13.549 10.967 72.646 1.00 -0.86 N \nATOM 727 HA ARG A 63 11.239 12.263 69.430 1.00 0.16 H \nATOM 728 HB2 ARG A 63 9.125 10.182 68.746 1.00 0.03 H \nATOM 729 HB3 ARG A 63 10.714 9.950 69.551 1.00 0.03 H \nATOM 730 HG2 ARG A 63 8.929 11.723 71.058 1.00 0.03 H \nATOM 731 HG3 ARG A 63 8.229 10.091 70.786 1.00 0.03 H \nATOM 732 HD2 ARG A 63 9.591 10.298 72.886 1.00 0.07 H \nATOM 733 HD3 ARG A 63 10.158 9.023 71.754 1.00 0.07 H \nATOM 734 HE ARG A 63 11.578 11.448 71.203 1.00 0.35 H \nATOM 735 HH12 ARG A 63 12.919 9.146 74.278 1.00 0.45 H \nATOM 736 HH11 ARG A 63 11.244 8.950 73.696 1.00 0.45 H \nATOM 737 HH22 ARG A 63 14.308 10.699 73.289 1.00 0.45 H \nATOM 738 HH21 ARG A 63 13.706 11.702 71.942 1.00 0.45 H \nATOM 739 H ARG A 63 8.501 13.011 68.506 1.00 0.27 H \nATOM 740 N PHE A 64 11.802 11.767 67.022 1.00 -0.42 N \nATOM 741 CA PHE A 64 12.105 11.619 65.607 1.00 -0.00 C \nATOM 742 C PHE A 64 13.451 10.936 65.390 1.00 0.60 C \nATOM 743 O PHE A 64 14.277 10.817 66.304 1.00 -0.57 O \nATOM 744 CB PHE A 64 12.085 12.989 64.914 1.00 -0.03 C \nATOM 745 CG PHE A 64 13.231 13.882 65.296 1.00 0.01 C \nATOM 746 CD1 PHE A 64 14.426 13.857 64.573 1.00 -0.13 C \nATOM 747 CD2 PHE A 64 13.134 14.727 66.401 1.00 -0.13 C \nATOM 748 CE1 PHE A 64 15.504 14.658 64.946 1.00 -0.17 C \nATOM 749 CE2 PHE A 64 14.217 15.535 66.781 1.00 -0.17 C \nATOM 750 CZ PHE A 64 15.401 15.497 66.051 1.00 -0.11 C \nATOM 751 HA PHE A 64 11.325 10.989 65.154 1.00 0.10 H \nATOM 752 HB2 PHE A 64 12.120 12.827 63.826 1.00 0.03 H \nATOM 753 HB3 PHE A 64 11.146 13.498 65.179 1.00 0.03 H \nATOM 754 HD2 PHE A 64 12.213 14.760 66.972 1.00 0.13 H \nATOM 755 HE2 PHE A 64 14.131 16.188 67.642 1.00 0.14 H \nATOM 756 HZ PHE A 64 16.240 16.119 66.342 1.00 0.13 H \nATOM 757 HE1 PHE A 64 16.424 14.627 64.374 1.00 0.14 H \nATOM 758 HD1 PHE A 64 14.516 13.206 63.711 1.00 0.13 H \nATOM 759 H PHE A 64 12.546 11.827 67.687 1.00 0.27 H \nATOM 760 N LYS A 65 13.655 10.469 64.169 1.00 -0.35 N \nATOM 761 CA LYS A 65 14.892 9.806 63.804 1.00 -0.24 C \nATOM 762 C LYS A 65 15.368 10.479 62.529 1.00 0.73 C \nATOM 763 O LYS A 65 14.721 11.398 62.029 1.00 -0.59 O \nATOM 764 CB LYS A 65 14.647 8.317 63.563 1.00 -0.01 C \nATOM 765 CG LYS A 65 14.044 7.598 64.767 1.00 0.02 C \nATOM 766 CD LYS A 65 13.897 6.107 64.507 1.00 -0.05 C \nATOM 767 CE LYS A 65 13.306 5.383 65.708 1.00 -0.01 C \nATOM 768 NZ LYS A 65 13.255 3.909 65.506 1.00 -0.39 N \nATOM 769 HA LYS A 65 15.640 9.929 64.601 1.00 0.14 H \nATOM 770 HB2 LYS A 65 13.958 8.210 62.712 1.00 0.04 H \nATOM 771 HB3 LYS A 65 15.608 7.841 63.318 1.00 0.04 H \nATOM 772 HG2 LYS A 65 14.700 7.746 65.638 1.00 0.01 H \nATOM 773 HG3 LYS A 65 13.052 8.024 64.978 1.00 0.01 H \nATOM 774 HD2 LYS A 65 13.236 5.959 63.641 1.00 0.06 H \nATOM 775 HD3 LYS A 65 14.888 5.684 64.288 1.00 0.06 H \nATOM 776 HE2 LYS A 65 13.925 5.598 66.591 1.00 0.11 H \nATOM 777 HE3 LYS A 65 12.284 5.753 65.877 1.00 0.11 H \nATOM 778 HZ1 LYS A 65 14.187 3.559 65.347 1.00 0.34 H \nATOM 779 HZ2 LYS A 65 12.867 3.471 66.327 1.00 0.34 H \nATOM 780 HZ3 LYS A 65 12.677 3.699 64.708 1.00 0.34 H \nATOM 781 H LYS A 65 12.938 10.576 63.480 1.00 0.27 H \nATOM 782 N VAL A 66 16.493 10.029 62.004 1.00 -0.42 N \nATOM 783 CA VAL A 66 17.025 10.610 60.787 1.00 -0.09 C \nATOM 784 C VAL A 66 17.227 9.506 59.755 1.00 0.60 C \nATOM 785 O VAL A 66 17.835 8.483 60.054 1.00 -0.57 O \nATOM 786 CB VAL A 66 18.389 11.302 61.050 1.00 0.30 C \nATOM 787 CG1 VAL A 66 18.849 12.026 59.806 1.00 -0.32 C \nATOM 788 CG2 VAL A 66 18.272 12.273 62.215 1.00 -0.32 C \nATOM 789 HA VAL A 66 16.311 11.352 60.399 1.00 0.10 H \nATOM 790 HB VAL A 66 19.132 10.533 61.306 1.00 -0.03 H \nATOM 791 HG11 VAL A 66 18.100 12.780 59.522 1.00 0.08 H \nATOM 792 HG12 VAL A 66 19.811 12.522 60.005 1.00 0.08 H \nATOM 793 HG13 VAL A 66 18.971 11.304 58.986 1.00 0.08 H \nATOM 794 HG21 VAL A 66 17.957 11.728 63.117 1.00 0.08 H \nATOM 795 HG22 VAL A 66 19.248 12.748 62.396 1.00 0.08 H \nATOM 796 HG23 VAL A 66 17.527 13.046 61.975 1.00 0.08 H \nATOM 797 H VAL A 66 16.983 9.280 62.450 1.00 0.27 H \nATOM 798 N ARG A 67 16.705 9.700 58.548 1.00 -0.35 N \nATOM 799 CA ARG A 67 16.901 8.716 57.494 1.00 -0.26 C \nATOM 800 C ARG A 67 17.855 9.322 56.480 1.00 0.73 C \nATOM 801 O ARG A 67 17.776 10.514 56.180 1.00 -0.59 O \nATOM 802 CB ARG A 67 15.589 8.369 56.790 1.00 -0.00 C \nATOM 803 CG ARG A 67 15.753 7.308 55.682 1.00 0.04 C \nATOM 804 CD ARG A 67 14.453 7.077 54.924 1.00 0.05 C \nATOM 805 NE ARG A 67 13.370 6.787 55.852 1.00 -0.53 N \nATOM 806 CZ ARG A 67 12.150 7.305 55.760 1.00 0.81 C \nATOM 807 NH1 ARG A 67 11.847 8.137 54.770 1.00 -0.86 N \nATOM 808 NH2 ARG A 67 11.240 7.024 56.679 1.00 -0.86 N \nATOM 809 HA ARG A 67 17.335 7.801 57.922 1.00 0.16 H \nATOM 810 HB2 ARG A 67 14.882 7.985 57.540 1.00 0.03 H \nATOM 811 HB3 ARG A 67 15.182 9.286 56.338 1.00 0.03 H \nATOM 812 HG2 ARG A 67 16.523 7.649 54.974 1.00 0.03 H \nATOM 813 HG3 ARG A 67 16.071 6.360 56.141 1.00 0.03 H \nATOM 814 HD2 ARG A 67 14.204 7.980 54.347 1.00 0.07 H \nATOM 815 HD3 ARG A 67 14.580 6.227 54.238 1.00 0.07 H \nATOM 816 HE ARG A 67 13.562 6.139 56.629 1.00 0.35 H \nATOM 817 HH12 ARG A 67 10.899 8.535 54.704 1.00 0.45 H \nATOM 818 HH11 ARG A 67 12.560 8.384 54.068 1.00 0.45 H \nATOM 819 HH22 ARG A 67 10.294 7.426 56.607 1.00 0.45 H \nATOM 820 HH21 ARG A 67 11.477 6.403 57.466 1.00 0.45 H \nATOM 821 H ARG A 67 16.174 10.527 58.363 1.00 0.27 H \nATOM 822 N VAL A 68 18.764 8.506 55.964 1.00 -0.42 N \nATOM 823 CA VAL A 68 19.723 8.955 54.965 1.00 -0.09 C \nATOM 824 C VAL A 68 19.686 7.968 53.798 1.00 0.60 C \nATOM 825 O VAL A 68 19.142 6.868 53.928 1.00 -0.57 O \nATOM 826 CB VAL A 68 21.159 9.019 55.554 1.00 0.30 C \nATOM 827 CG1 VAL A 68 21.205 10.036 56.687 1.00 -0.32 C \nATOM 828 CG2 VAL A 68 21.593 7.645 56.063 1.00 -0.32 C \nATOM 829 HA VAL A 68 19.437 9.956 54.610 1.00 0.10 H \nATOM 830 HB VAL A 68 21.853 9.337 54.762 1.00 -0.03 H \nATOM 831 HG11 VAL A 68 20.493 9.743 57.472 1.00 0.08 H \nATOM 832 HG12 VAL A 68 22.221 10.071 57.108 1.00 0.08 H \nATOM 833 HG13 VAL A 68 20.935 11.029 56.299 1.00 0.08 H \nATOM 834 HG21 VAL A 68 21.571 6.923 55.234 1.00 0.08 H \nATOM 835 HG22 VAL A 68 22.614 7.709 56.466 1.00 0.08 H \nATOM 836 HG23 VAL A 68 20.906 7.314 56.856 1.00 0.08 H \nATOM 837 H VAL A 68 18.792 7.554 56.270 1.00 0.27 H \nATOM 838 N GLY A 69 20.254 8.370 52.663 1.00 -0.42 N \nATOM 839 CA GLY A 69 20.289 7.515 51.487 1.00 -0.03 C \nATOM 840 C GLY A 69 18.939 7.185 50.867 1.00 0.60 C \nATOM 841 O GLY A 69 18.767 6.110 50.291 1.00 -0.57 O \nATOM 842 HA3 GLY A 69 20.898 8.019 50.722 1.00 0.07 H \nATOM 843 HA2 GLY A 69 20.770 6.568 51.773 1.00 0.07 H \nATOM 844 H GLY A 69 20.666 9.280 52.618 1.00 0.27 H \nATOM 845 N ASP A 70 17.984 8.103 50.972 1.00 -0.52 N \nATOM 846 CA ASP A 70 16.649 7.889 50.425 1.00 0.04 C \nATOM 847 C ASP A 70 16.358 8.950 49.372 1.00 0.54 C \nATOM 848 O ASP A 70 16.699 10.119 49.551 1.00 -0.58 O \nATOM 849 CB ASP A 70 15.601 7.981 51.546 1.00 -0.03 C \nATOM 850 CG ASP A 70 14.252 7.367 51.158 1.00 0.80 C \nATOM 851 OD1 ASP A 70 13.252 7.667 51.846 1.00 -0.80 O \nATOM 852 OD2 ASP A 70 14.191 6.579 50.191 1.00 -0.80 O \nATOM 853 HA ASP A 70 16.601 6.892 49.963 1.00 0.09 H \nATOM 854 HB2 ASP A 70 15.986 7.451 52.430 1.00 -0.01 H \nATOM 855 HB3 ASP A 70 15.445 9.041 51.794 1.00 -0.01 H \nATOM 856 H ASP A 70 18.186 8.964 51.439 1.00 0.29 H \nATOM 857 N ARG A 71 15.746 8.539 48.267 1.00 -0.35 N \nATOM 858 CA ARG A 71 15.383 9.465 47.193 1.00 -0.26 C \nATOM 859 C ARG A 71 13.904 9.313 46.812 1.00 0.73 C \nATOM 860 O ARG A 71 13.315 10.212 46.218 1.00 -0.59 O \nATOM 861 CB ARG A 71 16.247 9.229 45.946 1.00 -0.00 C \nATOM 862 CG ARG A 71 17.712 9.590 46.100 1.00 0.04 C \nATOM 863 CD ARG A 71 18.394 9.662 44.746 1.00 0.05 C \nATOM 864 NE ARG A 71 18.417 8.371 44.065 1.00 -0.53 N \nATOM 865 CZ ARG A 71 17.932 8.153 42.845 1.00 0.81 C \nATOM 866 NH1 ARG A 71 17.373 9.135 42.155 1.00 -0.86 N \nATOM 867 NH2 ARG A 71 18.027 6.947 42.304 1.00 -0.86 N \nATOM 868 HA ARG A 71 15.552 10.492 47.550 1.00 0.16 H \nATOM 869 HB2 ARG A 71 16.185 8.162 45.685 1.00 0.03 H \nATOM 870 HB3 ARG A 71 15.832 9.832 45.125 1.00 0.03 H \nATOM 871 HG2 ARG A 71 17.792 10.568 46.597 1.00 0.03 H \nATOM 872 HG3 ARG A 71 18.209 8.825 46.714 1.00 0.03 H \nATOM 873 HD2 ARG A 71 17.854 10.384 44.116 1.00 0.07 H \nATOM 874 HD3 ARG A 71 19.430 10.004 44.890 1.00 0.07 H \nATOM 875 HE ARG A 71 18.838 7.574 44.563 1.00 0.35 H \nATOM 876 HH12 ARG A 71 17.001 8.955 41.212 1.00 0.45 H \nATOM 877 HH11 ARG A 71 17.310 10.079 42.562 1.00 0.45 H \nATOM 878 HH22 ARG A 71 17.653 6.775 41.360 1.00 0.45 H \nATOM 879 HH21 ARG A 71 18.475 6.182 42.828 1.00 0.45 H \nATOM 880 H ARG A 71 15.527 7.569 48.166 1.00 0.27 H \nATOM 881 N ASN A 72 13.322 8.165 47.156 1.00 -0.42 N \nATOM 882 CA ASN A 72 11.922 7.842 46.861 1.00 0.01 C \nATOM 883 C ASN A 72 11.340 7.181 48.107 1.00 0.60 C \nATOM 884 O ASN A 72 11.710 6.050 48.443 1.00 -0.57 O \nATOM 885 CB ASN A 72 11.849 6.855 45.684 1.00 -0.20 C \nATOM 886 CG ASN A 72 10.418 6.573 45.222 1.00 0.71 C \nATOM 887 OD1 ASN A 72 9.449 6.887 45.912 1.00 -0.59 O \nATOM 888 ND2 ASN A 72 10.290 5.961 44.047 1.00 -0.92 N \nATOM 889 HA ASN A 72 11.363 8.757 46.616 1.00 0.10 H \nATOM 890 HB2 ASN A 72 12.413 7.277 44.839 1.00 0.08 H \nATOM 891 HB3 ASN A 72 12.310 5.906 45.995 1.00 0.08 H \nATOM 892 HD22 ASN A 72 9.380 5.749 43.690 1.00 0.42 H \nATOM 893 HD21 ASN A 72 11.104 5.713 43.521 1.00 0.42 H \nATOM 894 H ASN A 72 13.871 7.485 47.643 1.00 0.27 H \nATOM 895 N THR A 73 10.441 7.883 48.792 1.00 -0.42 N \nATOM 896 CA THR A 73 9.833 7.353 50.006 1.00 -0.04 C \nATOM 897 C THR A 73 8.835 6.227 49.751 1.00 0.60 C \nATOM 898 O THR A 73 8.349 5.600 50.689 1.00 -0.57 O \nATOM 899 CB THR A 73 9.131 8.459 50.801 1.00 0.37 C \nATOM 900 OG1 THR A 73 8.094 9.032 50.000 1.00 -0.68 O \nATOM 901 CG2 THR A 73 10.132 9.534 51.209 1.00 -0.24 C \nATOM 902 HA THR A 73 10.645 6.946 50.626 1.00 0.10 H \nATOM 903 HB THR A 73 8.686 8.023 51.708 1.00 0.00 H \nATOM 904 HG1 THR A 73 7.657 9.718 50.491 1.00 0.41 H \nATOM 905 HG23 THR A 73 10.449 9.364 52.249 1.00 0.06 H \nATOM 906 HG21 THR A 73 11.009 9.489 50.546 1.00 0.06 H \nATOM 907 HG22 THR A 73 9.660 10.524 51.126 1.00 0.06 H \nATOM 908 H THR A 73 10.177 8.792 48.468 1.00 0.27 H \nATOM 909 N GLU A 74 8.539 5.958 48.486 1.00 -0.52 N \nATOM 910 CA GLU A 74 7.596 4.904 48.135 1.00 0.04 C \nATOM 911 C GLU A 74 8.250 3.556 47.873 1.00 0.54 C \nATOM 912 O GLU A 74 7.570 2.536 47.846 1.00 -0.58 O \nATOM 913 CB GLU A 74 6.801 5.311 46.907 1.00 0.06 C \nATOM 914 CG GLU A 74 5.918 6.501 47.150 1.00 0.01 C \nATOM 915 CD GLU A 74 5.462 7.132 45.858 1.00 0.81 C \nATOM 916 OE1 GLU A 74 6.341 7.602 45.091 1.00 -0.82 O \nATOM 917 OE2 GLU A 74 4.234 7.154 45.610 1.00 -0.82 O \nATOM 918 HA GLU A 74 6.901 4.783 48.979 1.00 0.11 H \nATOM 919 HB2 GLU A 74 7.505 5.556 46.098 1.00 -0.02 H \nATOM 920 HB3 GLU A 74 6.171 4.463 46.600 1.00 -0.02 H \nATOM 921 HG2 GLU A 74 5.034 6.178 47.720 1.00 -0.04 H \nATOM 922 HG3 GLU A 74 6.478 7.247 47.733 1.00 -0.04 H \nATOM 923 H GLU A 74 8.972 6.490 47.758 1.00 0.29 H \nATOM 924 N GLN A 75 9.562 3.546 47.668 1.00 -0.42 N \nATOM 925 CA GLN A 75 10.263 2.295 47.414 1.00 -0.00 C \nATOM 926 C GLN A 75 11.532 2.158 48.258 1.00 0.60 C \nATOM 927 O GLN A 75 12.097 3.153 48.745 1.00 -0.57 O \nATOM 928 CB GLN A 75 10.618 2.175 45.927 1.00 -0.00 C \nATOM 929 CG GLN A 75 9.421 2.289 44.985 1.00 -0.06 C \nATOM 930 CD GLN A 75 9.805 2.158 43.516 1.00 0.70 C \nATOM 931 OE1 GLN A 75 9.019 2.487 42.628 1.00 -0.61 O \nATOM 932 NE2 GLN A 75 11.012 1.668 43.256 1.00 -0.94 N \nATOM 933 HA GLN A 75 9.587 1.469 47.678 1.00 0.09 H \nATOM 934 HB2 GLN A 75 11.331 2.975 45.677 1.00 0.02 H \nATOM 935 HB3 GLN A 75 11.093 1.196 45.764 1.00 0.02 H \nATOM 936 HG2 GLN A 75 8.703 1.493 45.232 1.00 0.04 H \nATOM 937 HG3 GLN A 75 8.947 3.270 45.137 1.00 0.04 H \nATOM 938 HE22 GLN A 75 11.315 1.561 42.309 1.00 0.43 H \nATOM 939 HE21 GLN A 75 11.618 1.406 44.007 1.00 0.43 H \nATOM 940 H GLN A 75 10.073 4.405 47.688 1.00 0.27 H \nATOM 941 N GLU A 76 11.958 0.910 48.438 1.00 -0.52 N \nATOM 942 CA GLU A 76 13.159 0.599 49.200 1.00 0.04 C \nATOM 943 C GLU A 76 14.272 0.440 48.180 1.00 0.54 C \nATOM 944 O GLU A 76 14.471 -0.629 47.611 1.00 -0.58 O \nATOM 945 CB GLU A 76 12.956 -0.690 49.993 1.00 0.06 C \nATOM 946 CG GLU A 76 11.747 -0.625 50.918 1.00 0.01 C \nATOM 947 CD GLU A 76 11.307 -1.988 51.430 1.00 0.81 C \nATOM 948 OE1 GLU A 76 11.197 -2.929 50.613 1.00 -0.82 O \nATOM 949 OE2 GLU A 76 11.055 -2.117 52.648 1.00 -0.82 O \nATOM 950 HA GLU A 76 13.395 1.420 49.893 1.00 0.11 H \nATOM 951 HB2 GLU A 76 12.814 -1.520 49.285 1.00 -0.02 H \nATOM 952 HB3 GLU A 76 13.854 -0.875 50.600 1.00 -0.02 H \nATOM 953 HG2 GLU A 76 12.002 0.007 51.782 1.00 -0.04 H \nATOM 954 HG3 GLU A 76 10.910 -0.172 50.367 1.00 -0.04 H \nATOM 955 H GLU A 76 11.434 0.159 48.035 1.00 0.29 H \nATOM 956 N GLU A 77 14.978 1.541 47.949 1.00 -0.52 N \nATOM 957 CA GLU A 77 16.075 1.624 46.990 1.00 0.04 C \nATOM 958 C GLU A 77 17.320 0.892 47.503 1.00 0.54 C \nATOM 959 O GLU A 77 18.363 0.867 46.838 1.00 -0.58 O \nATOM 960 CB GLU A 77 16.370 3.107 46.718 1.00 0.06 C \nATOM 961 CG GLU A 77 15.084 3.939 46.475 1.00 0.01 C \nATOM 962 CD GLU A 77 14.821 4.991 47.559 1.00 0.81 C \nATOM 963 OE1 GLU A 77 15.555 5.997 47.560 1.00 -0.82 O \nATOM 964 OE2 GLU A 77 13.897 4.819 48.403 1.00 -0.82 O \nATOM 965 HA GLU A 77 15.760 1.148 46.050 1.00 0.11 H \nATOM 966 HB2 GLU A 77 16.901 3.525 47.586 1.00 -0.02 H \nATOM 967 HB3 GLU A 77 17.010 3.181 45.827 1.00 -0.02 H \nATOM 968 HG2 GLU A 77 15.180 4.453 45.507 1.00 -0.04 H \nATOM 969 HG3 GLU A 77 14.226 3.252 46.442 1.00 -0.04 H \nATOM 970 H GLU A 77 14.743 2.365 48.465 1.00 0.29 H \nATOM 971 N GLY A 78 17.189 0.304 48.693 1.00 -0.42 N \nATOM 972 CA GLY A 78 18.270 -0.455 49.292 1.00 -0.03 C \nATOM 973 C GLY A 78 19.358 0.308 50.020 1.00 0.60 C \nATOM 974 O GLY A 78 20.022 -0.249 50.892 1.00 -0.57 O \nATOM 975 HA3 GLY A 78 17.819 -1.151 50.015 1.00 0.07 H \nATOM 976 HA2 GLY A 78 18.754 -1.026 48.486 1.00 0.07 H \nATOM 977 H GLY A 78 16.323 0.389 49.185 1.00 0.27 H \nATOM 978 N GLY A 79 19.555 1.574 49.679 1.00 -0.42 N \nATOM 979 CA GLY A 79 20.605 2.337 50.331 1.00 -0.03 C \nATOM 980 C GLY A 79 20.151 3.126 51.543 1.00 0.60 C \nATOM 981 O GLY A 79 20.967 3.786 52.188 1.00 -0.57 O \nATOM 982 HA3 GLY A 79 21.390 1.636 50.652 1.00 0.07 H \nATOM 983 HA2 GLY A 79 21.022 3.043 49.598 1.00 0.07 H \nATOM 984 H GLY A 79 18.984 2.001 48.977 1.00 0.27 H \nATOM 985 N GLU A 80 18.859 3.056 51.855 1.00 -0.52 N \nATOM 986 CA GLU A 80 18.318 3.783 52.990 1.00 0.04 C \nATOM 987 C GLU A 80 18.841 3.259 54.321 1.00 0.54 C \nATOM 988 O GLU A 80 19.157 2.076 54.462 1.00 -0.58 O \nATOM 989 CB GLU A 80 16.791 3.722 52.985 1.00 0.06 C \nATOM 990 CG GLU A 80 16.155 4.356 51.762 1.00 0.01 C \nATOM 991 CD GLU A 80 15.803 3.340 50.699 1.00 0.81 C \nATOM 992 OE1 GLU A 80 16.619 2.411 50.471 1.00 -0.82 O \nATOM 993 OE2 GLU A 80 14.712 3.471 50.092 1.00 -0.82 O \nATOM 994 HA GLU A 80 18.625 4.835 52.894 1.00 0.11 H \nATOM 995 HB2 GLU A 80 16.486 2.666 53.026 1.00 -0.02 H \nATOM 996 HB3 GLU A 80 16.420 4.245 53.879 1.00 -0.02 H \nATOM 997 HG2 GLU A 80 15.236 4.875 52.072 1.00 -0.04 H \nATOM 998 HG3 GLU A 80 16.861 5.083 51.335 1.00 -0.04 H \nATOM 999 H GLU A 80 18.249 2.492 51.298 1.00 0.29 H \nATOM 1000 N ALA A 81 18.945 4.157 55.296 1.00 -0.42 N \nATOM 1001 CA ALA A 81 19.409 3.792 56.628 1.00 0.03 C \nATOM 1002 C ALA A 81 18.827 4.791 57.614 1.00 0.60 C \nATOM 1003 O ALA A 81 18.989 6.001 57.450 1.00 -0.57 O \nATOM 1004 CB ALA A 81 20.931 3.819 56.692 1.00 -0.18 C \nATOM 1005 HA ALA A 81 19.056 2.780 56.876 1.00 0.08 H \nATOM 1006 HB1 ALA A 81 21.260 3.541 57.704 1.00 0.06 H \nATOM 1007 HB2 ALA A 81 21.341 3.104 55.964 1.00 0.06 H \nATOM 1008 HB3 ALA A 81 21.290 4.831 56.455 1.00 0.06 H \nATOM 1009 H ALA A 81 18.698 5.108 55.110 1.00 0.27 H \nATOM 1010 N VAL A 82 18.132 4.281 58.625 1.00 -0.42 N \nATOM 1011 CA VAL A 82 17.536 5.130 59.645 1.00 -0.09 C \nATOM 1012 C VAL A 82 18.467 5.150 60.859 1.00 0.60 C \nATOM 1013 O VAL A 82 19.058 4.130 61.233 1.00 -0.57 O \nATOM 1014 CB VAL A 82 16.123 4.622 60.056 1.00 0.30 C \nATOM 1015 CG1 VAL A 82 15.508 5.547 61.102 1.00 -0.32 C \nATOM 1016 CG2 VAL A 82 15.221 4.570 58.832 1.00 -0.32 C \nATOM 1017 HA VAL A 82 17.439 6.151 59.247 1.00 0.10 H \nATOM 1018 HB VAL A 82 16.215 3.611 60.480 1.00 -0.03 H \nATOM 1019 HG11 VAL A 82 15.426 6.564 60.690 1.00 0.08 H \nATOM 1020 HG12 VAL A 82 14.507 5.180 61.373 1.00 0.08 H \nATOM 1021 HG13 VAL A 82 16.147 5.565 61.997 1.00 0.08 H \nATOM 1022 HG21 VAL A 82 15.658 3.893 58.083 1.00 0.08 H \nATOM 1023 HG22 VAL A 82 14.227 4.201 59.124 1.00 0.08 H \nATOM 1024 HG23 VAL A 82 15.126 5.579 58.403 1.00 0.08 H \nATOM 1025 H VAL A 82 18.016 3.290 58.686 1.00 0.27 H \nATOM 1026 N HIS A 83 18.604 6.330 61.454 1.00 -0.42 N \nATOM 1027 CA HIS A 83 19.470 6.526 62.602 1.00 0.02 C \nATOM 1028 C HIS A 83 18.768 7.201 63.764 1.00 0.60 C \nATOM 1029 O HIS A 83 18.017 8.158 63.578 1.00 -0.57 O \nATOM 1030 CB HIS A 83 20.678 7.371 62.201 1.00 -0.05 C \nATOM 1031 CG HIS A 83 21.723 6.610 61.449 1.00 -0.03 C \nATOM 1032 ND1 HIS A 83 22.717 5.897 62.083 1.00 -0.38 N \nATOM 1033 CD2 HIS A 83 21.904 6.409 60.121 1.00 0.13 C \nATOM 1034 CE1 HIS A 83 23.465 5.289 61.179 1.00 0.21 C \nATOM 1035 NE2 HIS A 83 22.992 5.582 59.980 1.00 -0.57 N \nATOM 1036 HA HIS A 83 19.821 5.539 62.937 1.00 0.09 H \nATOM 1037 HB2 HIS A 83 20.327 8.198 61.567 1.00 0.04 H \nATOM 1038 HB3 HIS A 83 21.135 7.778 63.115 1.00 0.04 H \nATOM 1039 HD2 HIS A 83 21.300 6.825 59.316 1.00 0.11 H \nATOM 1040 HE1 HIS A 83 24.325 4.654 61.387 1.00 0.14 H \nATOM 1041 HD1 HIS A 83 22.855 5.846 63.102 1.00 0.36 H \nATOM 1042 H HIS A 83 18.092 7.112 61.098 1.00 0.27 H \nATOM 1043 N GLU A 84 19.009 6.689 64.965 1.00 -0.52 N \nATOM 1044 CA GLU A 84 18.435 7.275 66.163 1.00 0.04 C \nATOM 1045 C GLU A 84 19.314 8.447 66.588 1.00 0.54 C \nATOM 1046 O GLU A 84 20.535 8.428 66.390 1.00 -0.58 O \nATOM 1047 CB GLU A 84 18.361 6.228 67.274 1.00 0.06 C \nATOM 1048 CG GLU A 84 17.165 5.313 67.122 1.00 0.01 C \nATOM 1049 CD GLU A 84 17.201 4.116 68.050 1.00 0.81 C \nATOM 1050 OE1 GLU A 84 16.148 3.444 68.178 1.00 -0.82 O \nATOM 1051 OE2 GLU A 84 18.274 3.834 68.640 1.00 -0.82 O \nATOM 1052 HA GLU A 84 17.420 7.639 65.945 1.00 0.11 H \nATOM 1053 HB2 GLU A 84 19.277 5.620 67.249 1.00 -0.02 H \nATOM 1054 HB3 GLU A 84 18.290 6.744 68.243 1.00 -0.02 H \nATOM 1055 HG2 GLU A 84 16.254 5.892 67.335 1.00 -0.04 H \nATOM 1056 HG3 GLU A 84 17.134 4.949 66.084 1.00 -0.04 H \nATOM 1057 H GLU A 84 19.597 5.884 65.046 1.00 0.29 H \nATOM 1058 N VAL A 85 18.691 9.475 67.152 1.00 -0.42 N \nATOM 1059 CA VAL A 85 19.432 10.652 67.590 1.00 -0.09 C \nATOM 1060 C VAL A 85 19.886 10.474 69.034 1.00 0.60 C \nATOM 1061 O VAL A 85 19.099 10.100 69.896 1.00 -0.57 O \nATOM 1062 CB VAL A 85 18.563 11.938 67.473 1.00 0.30 C \nATOM 1063 CG1 VAL A 85 19.381 13.162 67.875 1.00 -0.32 C \nATOM 1064 CG2 VAL A 85 18.037 12.086 66.036 1.00 -0.32 C \nATOM 1065 HA VAL A 85 20.319 10.767 66.949 1.00 0.10 H \nATOM 1066 HB VAL A 85 17.705 11.849 68.155 1.00 -0.03 H \nATOM 1067 HG11 VAL A 85 20.259 13.248 67.218 1.00 0.08 H \nATOM 1068 HG12 VAL A 85 18.761 14.065 67.779 1.00 0.08 H \nATOM 1069 HG13 VAL A 85 19.713 13.055 68.918 1.00 0.08 H \nATOM 1070 HG21 VAL A 85 17.433 11.205 65.774 1.00 0.08 H \nATOM 1071 HG22 VAL A 85 17.416 12.991 65.964 1.00 0.08 H \nATOM 1072 HG23 VAL A 85 18.886 12.168 65.341 1.00 0.08 H \nATOM 1073 H VAL A 85 17.700 9.442 67.278 1.00 0.27 H \nATOM 1074 N GLU A 86 21.160 10.742 69.289 1.00 -0.52 N \nATOM 1075 CA GLU A 86 21.717 10.608 70.625 1.00 0.04 C \nATOM 1076 C GLU A 86 21.689 11.939 71.371 1.00 0.54 C \nATOM 1077 O GLU A 86 21.401 11.990 72.571 1.00 -0.58 O \nATOM 1078 CB GLU A 86 23.153 10.108 70.532 1.00 0.06 C \nATOM 1079 CG GLU A 86 23.825 9.869 71.865 1.00 0.01 C \nATOM 1080 CD GLU A 86 25.276 9.494 71.696 1.00 0.81 C \nATOM 1081 OE1 GLU A 86 26.125 10.409 71.621 1.00 -0.82 O \nATOM 1082 OE2 GLU A 86 25.567 8.282 71.617 1.00 -0.82 O \nATOM 1083 HA GLU A 86 21.117 9.876 71.186 1.00 0.11 H \nATOM 1084 HB2 GLU A 86 23.151 9.160 69.974 1.00 -0.02 H \nATOM 1085 HB3 GLU A 86 23.742 10.856 69.981 1.00 -0.02 H \nATOM 1086 HG2 GLU A 86 23.761 10.788 72.467 1.00 -0.04 H \nATOM 1087 HG3 GLU A 86 23.304 9.053 72.386 1.00 -0.04 H \nATOM 1088 H GLU A 86 21.753 11.044 68.542 1.00 0.29 H \nATOM 1089 N VAL A 87 21.986 13.018 70.657 1.00 -0.42 N \nATOM 1090 CA VAL A 87 22.012 14.345 71.254 1.00 -0.09 C \nATOM 1091 C VAL A 87 21.422 15.376 70.306 1.00 0.60 C \nATOM 1092 O VAL A 87 21.650 15.325 69.098 1.00 -0.57 O \nATOM 1093 CB VAL A 87 23.456 14.797 71.560 1.00 0.30 C \nATOM 1094 CG1 VAL A 87 23.435 16.071 72.365 1.00 -0.32 C \nATOM 1095 CG2 VAL A 87 24.209 13.718 72.295 1.00 -0.32 C \nATOM 1096 HA VAL A 87 21.428 14.324 72.186 1.00 0.10 H \nATOM 1097 HB VAL A 87 23.971 14.993 70.608 1.00 -0.03 H \nATOM 1098 HG11 VAL A 87 22.892 15.901 73.306 1.00 0.08 H \nATOM 1099 HG12 VAL A 87 24.467 16.381 72.588 1.00 0.08 H \nATOM 1100 HG13 VAL A 87 22.931 16.861 71.788 1.00 0.08 H \nATOM 1101 HG21 VAL A 87 24.236 12.806 71.680 1.00 0.08 H \nATOM 1102 HG22 VAL A 87 25.236 14.058 72.493 1.00 0.08 H \nATOM 1103 HG23 VAL A 87 23.704 13.503 73.248 1.00 0.08 H \nATOM 1104 H VAL A 87 22.197 12.916 69.685 1.00 0.27 H \nATOM 1105 N VAL A 88 20.642 16.297 70.853 1.00 -0.42 N \nATOM 1106 CA VAL A 88 20.088 17.372 70.048 1.00 -0.09 C \nATOM 1107 C VAL A 88 20.736 18.655 70.563 1.00 0.60 C \nATOM 1108 O VAL A 88 20.612 19.001 71.744 1.00 -0.57 O \nATOM 1109 CB VAL A 88 18.569 17.490 70.199 1.00 0.30 C \nATOM 1110 CG1 VAL A 88 18.071 18.719 69.442 1.00 -0.32 C \nATOM 1111 CG2 VAL A 88 17.898 16.238 69.663 1.00 -0.32 C \nATOM 1112 HA VAL A 88 20.336 17.212 68.988 1.00 0.10 H \nATOM 1113 HB VAL A 88 18.321 17.601 71.265 1.00 -0.03 H \nATOM 1114 HG11 VAL A 88 18.334 18.626 68.378 1.00 0.08 H \nATOM 1115 HG12 VAL A 88 16.978 18.795 69.544 1.00 0.08 H \nATOM 1116 HG13 VAL A 88 18.542 19.622 69.858 1.00 0.08 H \nATOM 1117 HG21 VAL A 88 18.260 15.361 70.220 1.00 0.08 H \nATOM 1118 HG22 VAL A 88 16.808 16.326 69.784 1.00 0.08 H \nATOM 1119 HG23 VAL A 88 18.140 16.120 68.596 1.00 0.08 H \nATOM 1120 H VAL A 88 20.433 16.252 71.830 1.00 0.27 H \nATOM 1121 N ILE A 89 21.455 19.346 69.686 1.00 -0.42 N \nATOM 1122 CA ILE A 89 22.108 20.585 70.074 1.00 -0.06 C \nATOM 1123 C ILE A 89 21.427 21.752 69.360 1.00 0.60 C \nATOM 1124 O ILE A 89 21.735 22.064 68.211 1.00 -0.57 O \nATOM 1125 CB ILE A 89 23.618 20.549 69.726 1.00 0.13 C \nATOM 1126 CG1 ILE A 89 24.274 19.328 70.376 1.00 -0.04 C \nATOM 1127 CG2 ILE A 89 24.300 21.822 70.200 1.00 -0.32 C \nATOM 1128 CD1 ILE A 89 25.709 19.109 69.946 1.00 -0.07 C \nATOM 1129 HA ILE A 89 22.001 20.718 71.161 1.00 0.09 H \nATOM 1130 HB ILE A 89 23.729 20.473 68.634 1.00 0.02 H \nATOM 1131 HG12 ILE A 89 24.255 19.463 71.468 1.00 0.02 H \nATOM 1132 HG13 ILE A 89 23.690 18.435 70.107 1.00 0.02 H \nATOM 1133 HD11 ILE A 89 26.309 19.993 70.208 1.00 0.02 H \nATOM 1134 HD12 ILE A 89 26.115 18.225 70.459 1.00 0.02 H \nATOM 1135 HD13 ILE A 89 25.746 18.951 68.858 1.00 0.02 H \nATOM 1136 HG21 ILE A 89 24.176 21.921 71.289 1.00 0.09 H \nATOM 1137 HG22 ILE A 89 25.371 21.777 69.955 1.00 0.09 H \nATOM 1138 HG23 ILE A 89 23.846 22.690 69.699 1.00 0.09 H \nATOM 1139 H ILE A 89 21.548 19.010 68.749 1.00 0.27 H \nATOM 1140 N LYS A 90 20.479 22.377 70.046 1.00 -0.35 N \nATOM 1141 CA LYS A 90 19.752 23.511 69.491 1.00 -0.24 C \nATOM 1142 C LYS A 90 20.434 24.813 69.920 1.00 0.73 C \nATOM 1143 O LYS A 90 20.887 24.927 71.058 1.00 -0.59 O \nATOM 1144 CB LYS A 90 18.309 23.482 69.998 1.00 -0.01 C \nATOM 1145 CG LYS A 90 17.361 24.431 69.285 1.00 0.02 C \nATOM 1146 CD LYS A 90 15.932 24.339 69.841 1.00 -0.05 C \nATOM 1147 CE LYS A 90 15.842 24.826 71.287 1.00 -0.01 C \nATOM 1148 NZ LYS A 90 16.313 26.232 71.458 1.00 -0.39 N \nATOM 1149 HA LYS A 90 19.753 23.445 68.393 1.00 0.14 H \nATOM 1150 HB2 LYS A 90 17.924 22.459 69.875 1.00 0.04 H \nATOM 1151 HB3 LYS A 90 18.317 23.745 71.066 1.00 0.04 H \nATOM 1152 HG2 LYS A 90 17.726 25.461 69.412 1.00 0.01 H \nATOM 1153 HG3 LYS A 90 17.343 24.178 68.215 1.00 0.01 H \nATOM 1154 HD2 LYS A 90 15.269 24.957 69.217 1.00 0.06 H \nATOM 1155 HD3 LYS A 90 15.603 23.290 69.799 1.00 0.06 H \nATOM 1156 HE2 LYS A 90 14.793 24.765 71.613 1.00 0.11 H \nATOM 1157 HE3 LYS A 90 16.460 24.170 71.917 1.00 0.11 H \nATOM 1158 HZ1 LYS A 90 15.755 26.845 70.885 1.00 0.34 H \nATOM 1159 HZ2 LYS A 90 16.222 26.501 72.425 1.00 0.34 H \nATOM 1160 HZ3 LYS A 90 17.280 26.299 71.180 1.00 0.34 H \nATOM 1161 H LYS A 90 20.258 22.061 70.969 1.00 0.27 H \nATOM 1162 N HIS A 91 20.527 25.792 69.021 1.00 -0.42 N \nATOM 1163 CA HIS A 91 21.154 27.063 69.389 1.00 0.02 C \nATOM 1164 C HIS A 91 20.295 27.705 70.472 1.00 0.60 C \nATOM 1165 O HIS A 91 19.099 27.914 70.272 1.00 -0.57 O \nATOM 1166 CB HIS A 91 21.250 28.012 68.189 1.00 -0.05 C \nATOM 1167 CG HIS A 91 22.200 29.148 68.405 1.00 -0.03 C \nATOM 1168 ND1 HIS A 91 21.989 30.128 69.352 1.00 -0.38 N \nATOM 1169 CD2 HIS A 91 23.404 29.419 67.848 1.00 0.13 C \nATOM 1170 CE1 HIS A 91 23.023 30.950 69.371 1.00 0.21 C \nATOM 1171 NE2 HIS A 91 23.896 30.541 68.468 1.00 -0.57 N \nATOM 1172 HA HIS A 91 22.165 26.872 69.778 1.00 0.09 H \nATOM 1173 HB2 HIS A 91 21.588 27.436 67.315 1.00 0.04 H \nATOM 1174 HB3 HIS A 91 20.250 28.426 67.991 1.00 0.04 H \nATOM 1175 HD2 HIS A 91 23.891 28.853 67.056 1.00 0.11 H \nATOM 1176 HE1 HIS A 91 23.136 31.817 70.020 1.00 0.14 H \nATOM 1177 HD1 HIS A 91 21.155 30.207 69.951 1.00 0.36 H \nATOM 1178 H HIS A 91 20.169 25.659 68.097 1.00 0.27 H \nATOM 1179 N ASN A 92 20.893 28.016 71.619 1.00 -0.42 N \nATOM 1180 CA ASN A 92 20.129 28.611 72.712 1.00 0.01 C \nATOM 1181 C ASN A 92 19.483 29.949 72.382 1.00 0.60 C \nATOM 1182 O ASN A 92 18.512 30.338 73.028 1.00 -0.57 O \nATOM 1183 CB ASN A 92 20.987 28.746 73.980 1.00 -0.20 C \nATOM 1184 CG ASN A 92 22.346 29.366 73.719 1.00 0.71 C \nATOM 1185 OD1 ASN A 92 22.461 30.416 73.093 1.00 -0.59 O \nATOM 1186 ND2 ASN A 92 23.388 28.721 74.223 1.00 -0.92 N \nATOM 1187 HA ASN A 92 19.311 27.911 72.939 1.00 0.10 H \nATOM 1188 HB2 ASN A 92 20.448 29.377 74.701 1.00 0.08 H \nATOM 1189 HB3 ASN A 92 21.136 27.744 74.409 1.00 0.08 H \nATOM 1190 HD22 ASN A 92 24.312 29.079 74.086 1.00 0.42 H \nATOM 1191 HD21 ASN A 92 23.251 27.877 74.741 1.00 0.42 H \nATOM 1192 H ASN A 92 21.871 27.841 71.733 1.00 0.27 H \nATOM 1193 N ARG A 93 20.004 30.645 71.374 1.00 -0.35 N \nATOM 1194 CA ARG A 93 19.449 31.935 70.988 1.00 -0.26 C \nATOM 1195 C ARG A 93 18.317 31.853 69.975 1.00 0.73 C \nATOM 1196 O ARG A 93 17.867 32.883 69.480 1.00 -0.59 O \nATOM 1197 CB ARG A 93 20.542 32.857 70.446 1.00 -0.00 C \nATOM 1198 CG ARG A 93 21.285 33.632 71.520 1.00 0.04 C \nATOM 1199 CD ARG A 93 20.385 34.684 72.206 1.00 0.05 C \nATOM 1200 NE ARG A 93 20.291 35.955 71.469 1.00 -0.53 N \nATOM 1201 CZ ARG A 93 19.272 36.326 70.689 1.00 0.81 C \nATOM 1202 NH1 ARG A 93 18.217 35.530 70.519 1.00 -0.86 N \nATOM 1203 NH2 ARG A 93 19.313 37.503 70.074 1.00 -0.86 N \nATOM 1204 HA ARG A 93 19.039 32.394 71.900 1.00 0.16 H \nATOM 1205 HB2 ARG A 93 21.270 32.244 69.896 1.00 0.03 H \nATOM 1206 HB3 ARG A 93 20.076 33.578 69.758 1.00 0.03 H \nATOM 1207 HG2 ARG A 93 21.647 32.925 72.281 1.00 0.03 H \nATOM 1208 HG3 ARG A 93 22.142 34.145 71.059 1.00 0.03 H \nATOM 1209 HD2 ARG A 93 19.373 34.264 72.304 1.00 0.07 H \nATOM 1210 HD3 ARG A 93 20.794 34.892 73.206 1.00 0.07 H \nATOM 1211 HE ARG A 93 21.077 36.614 71.563 1.00 0.35 H \nATOM 1212 HH12 ARG A 93 17.438 35.829 69.915 1.00 0.45 H \nATOM 1213 HH11 ARG A 93 18.180 34.616 70.992 1.00 0.45 H \nATOM 1214 HH22 ARG A 93 18.531 37.796 69.471 1.00 0.45 H \nATOM 1215 HH21 ARG A 93 20.126 38.122 70.200 1.00 0.45 H \nATOM 1216 H ARG A 93 20.788 30.277 70.874 1.00 0.27 H \nATOM 1217 N PHE A 94 17.853 30.648 69.655 1.00 -0.42 N \nATOM 1218 CA PHE A 94 16.757 30.523 68.700 1.00 -0.00 C \nATOM 1219 C PHE A 94 15.442 30.942 69.350 1.00 0.60 C \nATOM 1220 O PHE A 94 15.231 30.703 70.539 1.00 -0.57 O \nATOM 1221 CB PHE A 94 16.615 29.081 68.187 1.00 -0.03 C \nATOM 1222 CG PHE A 94 15.368 28.858 67.366 1.00 0.01 C \nATOM 1223 CD1 PHE A 94 15.268 29.358 66.072 1.00 -0.13 C \nATOM 1224 CD2 PHE A 94 14.258 28.227 67.922 1.00 -0.13 C \nATOM 1225 CE1 PHE A 94 14.078 29.242 65.346 1.00 -0.17 C \nATOM 1226 CE2 PHE A 94 13.061 28.106 67.201 1.00 -0.17 C \nATOM 1227 CZ PHE A 94 12.974 28.617 65.910 1.00 -0.11 C \nATOM 1228 HA PHE A 94 16.962 31.184 67.845 1.00 0.10 H \nATOM 1229 HB2 PHE A 94 17.490 28.845 67.564 1.00 0.03 H \nATOM 1230 HB3 PHE A 94 16.588 28.404 69.053 1.00 0.03 H \nATOM 1231 HD2 PHE A 94 14.320 27.824 68.926 1.00 0.13 H \nATOM 1232 HE2 PHE A 94 12.205 27.615 67.649 1.00 0.14 H \nATOM 1233 HZ PHE A 94 12.051 28.528 65.349 1.00 0.13 H \nATOM 1234 HE1 PHE A 94 14.018 29.641 64.340 1.00 0.14 H \nATOM 1235 HD1 PHE A 94 16.125 29.845 65.620 1.00 0.13 H \nATOM 1236 H PHE A 94 18.254 29.830 70.068 1.00 0.27 H \nATOM 1237 N THR A 95 14.571 31.573 68.562 1.00 -0.42 N \nATOM 1238 CA THR A 95 13.252 32.005 69.017 1.00 -0.04 C \nATOM 1239 C THR A 95 12.316 31.944 67.830 1.00 0.60 C \nATOM 1240 O THR A 95 12.660 32.409 66.744 1.00 -0.57 O \nATOM 1241 CB THR A 95 13.218 33.464 69.503 1.00 0.37 C \nATOM 1242 OG1 THR A 95 14.205 33.667 70.517 1.00 -0.68 O \nATOM 1243 CG2 THR A 95 11.840 33.778 70.076 1.00 -0.24 C \nATOM 1244 HA THR A 95 12.908 31.339 69.822 1.00 0.10 H \nATOM 1245 HB THR A 95 13.424 34.134 68.655 1.00 0.00 H \nATOM 1246 HG1 THR A 95 14.176 34.570 70.811 1.00 0.41 H \nATOM 1247 HG23 THR A 95 11.237 34.299 69.317 1.00 0.06 H \nATOM 1248 HG21 THR A 95 11.340 32.841 70.362 1.00 0.06 H \nATOM 1249 HG22 THR A 95 11.949 34.421 70.962 1.00 0.06 H \nATOM 1250 H THR A 95 14.833 31.759 67.615 1.00 0.27 H \nATOM 1251 N LYS A 96 11.128 31.390 68.045 1.00 -0.35 N \nATOM 1252 CA LYS A 96 10.130 31.274 66.993 1.00 -0.24 C \nATOM 1253 C LYS A 96 9.482 32.617 66.722 1.00 0.73 C \nATOM 1254 O LYS A 96 8.707 32.765 65.779 1.00 -0.59 O \nATOM 1255 CB LYS A 96 9.045 30.274 67.392 1.00 -0.01 C \nATOM 1256 CG LYS A 96 8.228 30.686 68.614 1.00 0.02 C \nATOM 1257 CD LYS A 96 9.087 30.753 69.872 1.00 -0.05 C \nATOM 1258 CE LYS A 96 9.821 29.434 70.115 1.00 -0.01 C \nATOM 1259 NZ LYS A 96 8.878 28.278 70.195 1.00 -0.39 N \nATOM 1260 HA LYS A 96 10.624 30.922 66.075 1.00 0.14 H \nATOM 1261 HB2 LYS A 96 8.357 30.155 66.542 1.00 0.04 H \nATOM 1262 HB3 LYS A 96 9.528 29.310 67.610 1.00 0.04 H \nATOM 1263 HG2 LYS A 96 7.787 31.677 68.430 1.00 0.01 H \nATOM 1264 HG3 LYS A 96 7.425 29.951 68.770 1.00 0.01 H \nATOM 1265 HD2 LYS A 96 9.827 31.559 69.758 1.00 0.06 H \nATOM 1266 HD3 LYS A 96 8.441 30.968 70.736 1.00 0.06 H \nATOM 1267 HE2 LYS A 96 10.526 29.262 69.288 1.00 0.11 H \nATOM 1268 HE3 LYS A 96 10.377 29.506 71.061 1.00 0.11 H \nATOM 1269 HZ1 LYS A 96 8.361 28.206 69.333 1.00 0.34 H \nATOM 1270 HZ2 LYS A 96 9.400 27.429 70.346 1.00 0.34 H \nATOM 1271 HZ3 LYS A 96 8.237 28.419 70.960 1.00 0.34 H \nATOM 1272 H LYS A 96 10.913 31.042 68.958 1.00 0.27 H \nATOM 1273 N GLU A 97 9.792 33.596 67.561 1.00 -0.52 N \nATOM 1274 CA GLU A 97 9.229 34.928 67.407 1.00 0.04 C \nATOM 1275 C GLU A 97 9.887 35.661 66.247 1.00 0.54 C \nATOM 1276 O GLU A 97 9.249 36.467 65.569 1.00 -0.58 O \nATOM 1277 CB GLU A 97 9.398 35.725 68.709 1.00 0.06 C \nATOM 1278 CG GLU A 97 8.673 35.102 69.903 1.00 0.01 C \nATOM 1279 CD GLU A 97 7.162 35.047 69.722 1.00 0.81 C \nATOM 1280 OE1 GLU A 97 6.497 34.313 70.483 1.00 -0.82 O \nATOM 1281 OE2 GLU A 97 6.637 35.743 68.829 1.00 -0.82 O \nATOM 1282 HA GLU A 97 8.155 34.831 67.192 1.00 0.11 H \nATOM 1283 HB2 GLU A 97 10.471 35.784 68.945 1.00 -0.02 H \nATOM 1284 HB3 GLU A 97 9.001 36.739 68.551 1.00 -0.02 H \nATOM 1285 HG2 GLU A 97 9.046 34.077 70.043 1.00 -0.04 H \nATOM 1286 HG3 GLU A 97 8.897 35.699 70.799 1.00 -0.04 H \nATOM 1287 H GLU A 97 10.425 33.415 68.314 1.00 0.29 H \nATOM 1288 N THR A 98 11.158 35.359 66.007 1.00 -0.42 N \nATOM 1289 CA THR A 98 11.901 36.008 64.941 1.00 -0.04 C \nATOM 1290 C THR A 98 12.536 35.017 63.970 1.00 0.60 C \nATOM 1291 O THR A 98 12.948 35.396 62.871 1.00 -0.57 O \nATOM 1292 CB THR A 98 13.029 36.869 65.526 1.00 0.37 C \nATOM 1293 OG1 THR A 98 13.918 36.037 66.285 1.00 -0.68 O \nATOM 1294 CG2 THR A 98 12.460 37.955 66.440 1.00 -0.24 C \nATOM 1295 HA THR A 98 11.206 36.652 64.382 1.00 0.10 H \nATOM 1296 HB THR A 98 13.584 37.343 64.703 1.00 0.00 H \nATOM 1297 HG1 THR A 98 14.617 36.569 66.648 1.00 0.41 H \nATOM 1298 HG23 THR A 98 12.395 38.903 65.886 1.00 0.06 H \nATOM 1299 HG21 THR A 98 11.456 37.660 66.780 1.00 0.06 H \nATOM 1300 HG22 THR A 98 13.119 38.083 67.311 1.00 0.06 H \nATOM 1301 H THR A 98 11.613 34.671 66.572 1.00 0.27 H \nATOM 1302 N TYR A 99 12.611 33.752 64.380 1.00 -0.42 N \nATOM 1303 CA TYR A 99 13.241 32.701 63.577 1.00 -0.00 C \nATOM 1304 C TYR A 99 14.737 32.976 63.427 1.00 0.60 C \nATOM 1305 O TYR A 99 15.386 32.483 62.507 1.00 -0.57 O \nATOM 1306 CB TYR A 99 12.584 32.578 62.195 1.00 -0.02 C \nATOM 1307 CG TYR A 99 11.487 31.534 62.142 1.00 -0.00 C \nATOM 1308 CD1 TYR A 99 10.361 31.626 62.966 1.00 -0.19 C \nATOM 1309 CD2 TYR A 99 11.584 30.438 61.283 1.00 -0.19 C \nATOM 1310 CE1 TYR A 99 9.356 30.641 62.936 1.00 -0.23 C \nATOM 1311 CE2 TYR A 99 10.584 29.448 61.243 1.00 -0.23 C \nATOM 1312 CZ TYR A 99 9.478 29.558 62.070 1.00 0.32 C \nATOM 1313 OH TYR A 99 8.495 28.596 62.031 1.00 -0.56 O \nATOM 1314 HA TYR A 99 13.114 31.744 64.104 1.00 0.09 H \nATOM 1315 HB3 TYR A 99 12.151 33.553 61.926 1.00 0.03 H \nATOM 1316 HB2 TYR A 99 13.359 32.307 61.463 1.00 0.03 H \nATOM 1317 HD2 TYR A 99 12.447 30.347 60.633 1.00 0.17 H \nATOM 1318 HE2 TYR A 99 10.679 28.604 60.569 1.00 0.17 H \nATOM 1319 HE1 TYR A 99 8.491 30.725 63.584 1.00 0.17 H \nATOM 1320 HD1 TYR A 99 10.260 32.470 63.639 1.00 0.17 H \nATOM 1321 HH TYR A 99 7.811 28.817 62.653 1.00 0.40 H \nATOM 1322 H TYR A 99 12.223 33.511 65.269 1.00 0.27 H \nATOM 1323 N ASP A 100 15.276 33.768 64.349 1.00 -0.52 N \nATOM 1324 CA ASP A 100 16.691 34.109 64.342 1.00 0.04 C \nATOM 1325 C ASP A 100 17.446 32.953 65.000 1.00 0.54 C \nATOM 1326 O ASP A 100 16.923 32.310 65.919 1.00 -0.58 O \nATOM 1327 CB ASP A 100 16.910 35.415 65.117 1.00 -0.03 C \nATOM 1328 CG ASP A 100 18.244 36.055 64.815 1.00 0.80 C \nATOM 1329 OD1 ASP A 100 18.890 35.643 63.829 1.00 -0.80 O \nATOM 1330 OD2 ASP A 100 18.649 36.977 65.552 1.00 -0.80 O \nATOM 1331 HA ASP A 100 17.040 34.238 63.307 1.00 0.09 H \nATOM 1332 HB2 ASP A 100 16.111 36.122 64.848 1.00 -0.01 H \nATOM 1333 HB3 ASP A 100 16.860 35.198 66.194 1.00 -0.01 H \nATOM 1334 H ASP A 100 14.691 34.141 65.069 1.00 0.29 H \nATOM 1335 N PHE A 101 18.662 32.684 64.527 1.00 -0.42 N \nATOM 1336 CA PHE A 101 19.464 31.588 65.077 1.00 -0.00 C \nATOM 1337 C PHE A 101 18.775 30.249 64.823 1.00 0.60 C \nATOM 1338 O PHE A 101 18.755 29.370 65.690 1.00 -0.57 O \nATOM 1339 CB PHE A 101 19.654 31.785 66.583 1.00 -0.03 C \nATOM 1340 CG PHE A 101 20.517 32.951 66.933 1.00 0.01 C \nATOM 1341 CD1 PHE A 101 21.894 32.855 66.819 1.00 -0.13 C \nATOM 1342 CD2 PHE A 101 19.957 34.149 67.368 1.00 -0.13 C \nATOM 1343 CE1 PHE A 101 22.711 33.930 67.134 1.00 -0.17 C \nATOM 1344 CE2 PHE A 101 20.769 35.239 67.687 1.00 -0.17 C \nATOM 1345 CZ PHE A 101 22.149 35.127 67.569 1.00 -0.11 C \nATOM 1346 HA PHE A 101 20.449 31.584 64.587 1.00 0.10 H \nATOM 1347 HB2 PHE A 101 18.665 31.935 67.041 1.00 0.03 H \nATOM 1348 HB3 PHE A 101 20.115 30.876 66.996 1.00 0.03 H \nATOM 1349 HD2 PHE A 101 18.880 34.236 67.460 1.00 0.13 H \nATOM 1350 HE2 PHE A 101 20.325 36.168 68.025 1.00 0.14 H \nATOM 1351 HZ PHE A 101 22.786 35.969 67.815 1.00 0.13 H \nATOM 1352 HE1 PHE A 101 23.787 33.838 67.042 1.00 0.14 H \nATOM 1353 HD1 PHE A 101 22.339 31.927 66.479 1.00 0.13 H \nATOM 1354 H PHE A 101 19.034 33.240 63.784 1.00 0.27 H \nATOM 1355 N ASP A 102 18.197 30.108 63.633 1.00 -0.52 N \nATOM 1356 CA ASP A 102 17.489 28.891 63.257 1.00 0.04 C \nATOM 1357 C ASP A 102 18.511 27.836 62.838 1.00 0.54 C \nATOM 1358 O ASP A 102 18.697 27.570 61.645 1.00 -0.58 O \nATOM 1359 CB ASP A 102 16.517 29.193 62.110 1.00 -0.03 C \nATOM 1360 CG ASP A 102 15.459 28.124 61.942 1.00 0.80 C \nATOM 1361 OD1 ASP A 102 15.321 27.294 62.864 1.00 -0.80 O \nATOM 1362 OD2 ASP A 102 14.752 28.112 60.904 1.00 -0.80 O \nATOM 1363 HA ASP A 102 16.919 28.518 64.121 1.00 0.09 H \nATOM 1364 HB2 ASP A 102 16.019 30.152 62.315 1.00 -0.01 H \nATOM 1365 HB3 ASP A 102 17.090 29.270 61.174 1.00 -0.01 H \nATOM 1366 H ASP A 102 18.250 30.860 62.976 1.00 0.29 H \nATOM 1367 N ILE A 103 19.170 27.235 63.827 1.00 -0.42 N \nATOM 1368 CA ILE A 103 20.190 26.229 63.561 1.00 -0.06 C \nATOM 1369 C ILE A 103 20.324 25.223 64.706 1.00 0.60 C \nATOM 1370 O ILE A 103 20.180 25.575 65.875 1.00 -0.57 O \nATOM 1371 CB ILE A 103 21.557 26.907 63.320 1.00 0.13 C \nATOM 1372 CG1 ILE A 103 22.612 25.860 62.934 1.00 -0.04 C \nATOM 1373 CG2 ILE A 103 21.969 27.687 64.558 1.00 -0.32 C \nATOM 1374 CD1 ILE A 103 23.971 26.453 62.543 1.00 -0.07 C \nATOM 1375 HA ILE A 103 19.902 25.682 62.652 1.00 0.09 H \nATOM 1376 HB ILE A 103 21.454 27.615 62.484 1.00 0.02 H \nATOM 1377 HG12 ILE A 103 22.762 25.189 63.792 1.00 0.02 H \nATOM 1378 HG13 ILE A 103 22.229 25.283 62.080 1.00 0.02 H \nATOM 1379 HD11 ILE A 103 24.374 27.034 63.386 1.00 0.02 H \nATOM 1380 HD12 ILE A 103 24.668 25.639 62.292 1.00 0.02 H \nATOM 1381 HD13 ILE A 103 23.846 27.111 61.670 1.00 0.02 H \nATOM 1382 HG21 ILE A 103 22.039 27.003 65.416 1.00 0.09 H \nATOM 1383 HG22 ILE A 103 22.947 28.159 64.385 1.00 0.09 H \nATOM 1384 HG23 ILE A 103 21.219 28.464 64.768 1.00 0.09 H \nATOM 1385 H ILE A 103 18.960 27.480 64.774 1.00 0.27 H \nATOM 1386 N ALA A 104 20.586 23.968 64.357 1.00 -0.42 N \nATOM 1387 CA ALA A 104 20.760 22.911 65.352 1.00 0.03 C \nATOM 1388 C ALA A 104 21.616 21.802 64.764 1.00 0.60 C \nATOM 1389 O ALA A 104 21.649 21.619 63.551 1.00 -0.57 O \nATOM 1390 CB ALA A 104 19.417 22.351 65.778 1.00 -0.18 C \nATOM 1391 HA ALA A 104 21.267 23.330 66.234 1.00 0.08 H \nATOM 1392 HB1 ALA A 104 19.570 21.559 66.525 1.00 0.06 H \nATOM 1393 HB2 ALA A 104 18.807 23.155 66.216 1.00 0.06 H \nATOM 1394 HB3 ALA A 104 18.899 21.933 64.902 1.00 0.06 H \nATOM 1395 H ALA A 104 20.666 23.740 63.387 1.00 0.27 H \nATOM 1396 N VAL A 105 22.319 21.084 65.631 1.00 -0.42 N \nATOM 1397 CA VAL A 105 23.166 19.976 65.214 1.00 -0.09 C \nATOM 1398 C VAL A 105 22.683 18.748 65.976 1.00 0.60 C \nATOM 1399 O VAL A 105 22.364 18.840 67.162 1.00 -0.57 O \nATOM 1400 CB VAL A 105 24.668 20.246 65.539 1.00 0.30 C \nATOM 1401 CG1 VAL A 105 25.483 18.970 65.369 1.00 -0.32 C \nATOM 1402 CG2 VAL A 105 25.226 21.326 64.609 1.00 -0.32 C \nATOM 1403 HA VAL A 105 23.057 19.814 64.131 1.00 0.10 H \nATOM 1404 HB VAL A 105 24.751 20.590 66.581 1.00 -0.03 H \nATOM 1405 HG11 VAL A 105 25.390 18.611 64.334 1.00 0.08 H \nATOM 1406 HG12 VAL A 105 26.540 19.178 65.591 1.00 0.08 H \nATOM 1407 HG13 VAL A 105 25.108 18.200 66.059 1.00 0.08 H \nATOM 1408 HG21 VAL A 105 24.649 22.254 64.737 1.00 0.08 H \nATOM 1409 HG22 VAL A 105 26.281 21.513 64.856 1.00 0.08 H \nATOM 1410 HG23 VAL A 105 25.148 20.987 63.565 1.00 0.08 H \nATOM 1411 H VAL A 105 22.265 21.312 66.603 1.00 0.27 H \nATOM 1412 N LEU A 106 22.603 17.613 65.283 1.00 -0.42 N \nATOM 1413 CA LEU A 106 22.164 16.349 65.882 1.00 -0.05 C \nATOM 1414 C LEU A 106 23.328 15.359 65.889 1.00 0.60 C \nATOM 1415 O LEU A 106 24.034 15.224 64.894 1.00 -0.57 O \nATOM 1416 CB LEU A 106 21.031 15.721 65.058 1.00 -0.11 C \nATOM 1417 CG LEU A 106 19.830 16.567 64.633 1.00 0.35 C \nATOM 1418 CD1 LEU A 106 18.982 15.805 63.631 1.00 -0.41 C \nATOM 1419 CD2 LEU A 106 19.030 16.946 65.869 1.00 -0.41 C \nATOM 1420 HA LEU A 106 21.819 16.533 66.910 1.00 0.09 H \nATOM 1421 HB2 LEU A 106 21.488 15.333 64.135 1.00 0.05 H \nATOM 1422 HB3 LEU A 106 20.635 14.884 65.651 1.00 0.05 H \nATOM 1423 HG LEU A 106 20.193 17.488 64.153 1.00 -0.04 H \nATOM 1424 HD21 LEU A 106 19.670 17.515 66.560 1.00 0.10 H \nATOM 1425 HD22 LEU A 106 18.169 17.564 65.573 1.00 0.10 H \nATOM 1426 HD23 LEU A 106 18.672 16.033 66.368 1.00 0.10 H \nATOM 1427 HD11 LEU A 106 18.630 14.867 64.086 1.00 0.10 H \nATOM 1428 HD12 LEU A 106 18.117 16.419 63.341 1.00 0.10 H \nATOM 1429 HD13 LEU A 106 19.585 15.576 62.740 1.00 0.10 H \nATOM 1430 H LEU A 106 22.853 17.624 64.315 1.00 0.27 H \nATOM 1431 N ARG A 107 23.545 14.681 67.012 1.00 -0.35 N \nATOM 1432 CA ARG A 107 24.592 13.672 67.063 1.00 -0.26 C \nATOM 1433 C ARG A 107 23.845 12.348 67.040 1.00 0.73 C \nATOM 1434 O ARG A 107 22.928 12.143 67.842 1.00 -0.59 O \nATOM 1435 CB ARG A 107 25.421 13.754 68.344 1.00 -0.00 C \nATOM 1436 CG ARG A 107 26.551 12.737 68.339 1.00 0.04 C \nATOM 1437 CD ARG A 107 27.249 12.582 69.668 1.00 0.05 C \nATOM 1438 NE ARG A 107 28.129 11.416 69.622 1.00 -0.53 N \nATOM 1439 CZ ARG A 107 29.314 11.402 69.023 1.00 0.81 C \nATOM 1440 NH1 ARG A 107 29.775 12.495 68.430 1.00 -0.86 N \nATOM 1441 NH2 ARG A 107 30.023 10.285 68.987 1.00 -0.86 N \nATOM 1442 HA ARG A 107 25.256 13.766 66.191 1.00 0.16 H \nATOM 1443 HB2 ARG A 107 25.849 14.764 68.430 1.00 0.03 H \nATOM 1444 HB3 ARG A 107 24.767 13.558 69.207 1.00 0.03 H \nATOM 1445 HG2 ARG A 107 26.135 11.760 68.052 1.00 0.03 H \nATOM 1446 HG3 ARG A 107 27.295 13.052 67.593 1.00 0.03 H \nATOM 1447 HD2 ARG A 107 27.844 13.483 69.877 1.00 0.07 H \nATOM 1448 HD3 ARG A 107 26.500 12.445 70.462 1.00 0.07 H \nATOM 1449 HE ARG A 107 27.810 10.552 70.083 1.00 0.35 H \nATOM 1450 HH12 ARG A 107 30.695 12.480 67.966 1.00 0.45 H \nATOM 1451 HH11 ARG A 107 29.213 13.358 68.433 1.00 0.45 H \nATOM 1452 HH22 ARG A 107 30.942 10.273 68.523 1.00 0.45 H \nATOM 1453 HH21 ARG A 107 29.655 9.427 69.423 1.00 0.45 H \nATOM 1454 H ARG A 107 22.988 14.865 67.822 1.00 0.27 H \nATOM 1455 N LEU A 108 24.230 11.463 66.120 1.00 -0.42 N \nATOM 1456 CA LEU A 108 23.588 10.161 65.977 1.00 -0.05 C \nATOM 1457 C LEU A 108 24.187 9.122 66.913 1.00 0.60 C \nATOM 1458 O LEU A 108 25.374 9.189 67.254 1.00 -0.57 O \nATOM 1459 CB LEU A 108 23.720 9.666 64.532 1.00 -0.11 C \nATOM 1460 CG LEU A 108 23.245 10.646 63.457 1.00 0.35 C \nATOM 1461 CD1 LEU A 108 23.449 10.021 62.089 1.00 -0.41 C \nATOM 1462 CD2 LEU A 108 21.778 10.996 63.673 1.00 -0.41 C \nATOM 1463 HA LEU A 108 22.521 10.274 66.219 1.00 0.09 H \nATOM 1464 HB2 LEU A 108 24.781 9.445 64.345 1.00 0.05 H \nATOM 1465 HB3 LEU A 108 23.130 8.743 64.434 1.00 0.05 H \nATOM 1466 HG LEU A 108 23.842 11.568 63.522 1.00 -0.04 H \nATOM 1467 HD21 LEU A 108 21.652 11.451 64.667 1.00 0.10 H \nATOM 1468 HD22 LEU A 108 21.453 11.708 62.900 1.00 0.10 H \nATOM 1469 HD23 LEU A 108 21.170 10.082 63.608 1.00 0.10 H \nATOM 1470 HD11 LEU A 108 22.877 9.083 62.025 1.00 0.10 H \nATOM 1471 HD12 LEU A 108 23.100 10.717 61.312 1.00 0.10 H \nATOM 1472 HD13 LEU A 108 24.518 9.810 61.938 1.00 0.10 H \nATOM 1473 H LEU A 108 24.984 11.700 65.507 1.00 0.27 H \nATOM 1474 N LYS A 109 23.364 8.156 67.319 1.00 -0.35 N \nATOM 1475 CA LYS A 109 23.823 7.089 68.205 1.00 -0.24 C \nATOM 1476 C LYS A 109 24.799 6.156 67.491 1.00 0.73 C \nATOM 1477 O LYS A 109 25.752 5.669 68.093 1.00 -0.59 O \nATOM 1478 CB LYS A 109 22.640 6.273 68.724 1.00 -0.01 C \nATOM 1479 CG LYS A 109 23.083 5.084 69.575 1.00 0.02 C \nATOM 1480 CD LYS A 109 21.920 4.183 69.934 1.00 -0.05 C \nATOM 1481 CE LYS A 109 22.376 3.020 70.797 1.00 -0.01 C \nATOM 1482 NZ LYS A 109 21.221 2.165 71.199 1.00 -0.39 N \nATOM 1483 HA LYS A 109 24.339 7.548 69.061 1.00 0.14 H \nATOM 1484 HB2 LYS A 109 22.001 6.927 69.335 1.00 0.04 H \nATOM 1485 HB3 LYS A 109 22.065 5.898 67.865 1.00 0.04 H \nATOM 1486 HG2 LYS A 109 23.825 4.500 69.011 1.00 0.01 H \nATOM 1487 HG3 LYS A 109 23.540 5.461 70.502 1.00 0.01 H \nATOM 1488 HD2 LYS A 109 21.170 4.768 70.486 1.00 0.06 H \nATOM 1489 HD3 LYS A 109 21.471 3.790 69.010 1.00 0.06 H \nATOM 1490 HE2 LYS A 109 23.094 2.410 70.229 1.00 0.11 H \nATOM 1491 HE3 LYS A 109 22.864 3.413 71.701 1.00 0.11 H \nATOM 1492 HZ1 LYS A 109 20.766 1.806 70.374 1.00 0.34 H \nATOM 1493 HZ2 LYS A 109 21.551 1.397 71.762 1.00 0.34 H \nATOM 1494 HZ3 LYS A 109 20.566 2.715 71.732 1.00 0.34 H \nATOM 1495 H LYS A 109 22.413 8.161 67.011 1.00 0.27 H \nATOM 1496 N THR A 110 24.551 5.889 66.214 1.00 -0.42 N \nATOM 1497 CA THR A 110 25.442 5.020 65.449 1.00 -0.04 C \nATOM 1498 C THR A 110 25.968 5.812 64.258 1.00 0.60 C \nATOM 1499 O THR A 110 25.269 6.679 63.717 1.00 -0.57 O \nATOM 1500 CB THR A 110 24.715 3.762 64.945 1.00 0.37 C \nATOM 1501 OG1 THR A 110 23.803 4.118 63.901 1.00 -0.68 O \nATOM 1502 CG2 THR A 110 23.940 3.100 66.095 1.00 -0.24 C \nATOM 1503 HA THR A 110 26.283 4.713 66.088 1.00 0.10 H \nATOM 1504 HB THR A 110 25.456 3.051 64.552 1.00 0.00 H \nATOM 1505 HG1 THR A 110 23.356 3.339 63.592 1.00 0.41 H \nATOM 1506 HG23 THR A 110 24.529 2.265 66.501 1.00 0.06 H \nATOM 1507 HG21 THR A 110 23.757 3.840 66.888 1.00 0.06 H \nATOM 1508 HG22 THR A 110 22.978 2.721 65.719 1.00 0.06 H \nATOM 1509 H THR A 110 23.747 6.286 65.772 1.00 0.27 H \nATOM 1510 N PRO A 111 27.214 5.546 63.844 1.00 -0.25 N \nATOM 1511 CA PRO A 111 27.765 6.286 62.706 1.00 -0.03 C \nATOM 1512 C PRO A 111 27.096 5.953 61.375 1.00 0.59 C \nATOM 1513 O PRO A 111 26.632 4.833 61.151 1.00 -0.57 O \nATOM 1514 CB PRO A 111 29.248 5.914 62.740 1.00 -0.01 C \nATOM 1515 CG PRO A 111 29.243 4.532 63.328 1.00 0.02 C \nATOM 1516 CD PRO A 111 28.222 4.644 64.434 1.00 0.02 C \nATOM 1517 HA PRO A 111 27.649 7.366 62.877 1.00 0.06 H \nATOM 1518 HD3 PRO A 111 28.664 5.081 65.341 1.00 0.04 H \nATOM 1519 HD2 PRO A 111 27.786 3.663 64.674 1.00 0.04 H \nATOM 1520 HG3 PRO A 111 30.233 4.268 63.728 1.00 0.02 H \nATOM 1521 HG2 PRO A 111 28.938 3.785 62.581 1.00 0.02 H \nATOM 1522 HB2 PRO A 111 29.677 5.910 61.727 1.00 0.03 H \nATOM 1523 HB3 PRO A 111 29.815 6.611 63.375 1.00 0.03 H \nATOM 1524 N ILE A 112 27.026 6.941 60.493 1.00 -0.42 N \nATOM 1525 CA ILE A 112 26.433 6.725 59.177 1.00 -0.06 C \nATOM 1526 C ILE A 112 27.519 6.058 58.344 1.00 0.60 C \nATOM 1527 O ILE A 112 28.664 6.512 58.352 1.00 -0.57 O \nATOM 1528 CB ILE A 112 26.053 8.071 58.494 1.00 0.13 C \nATOM 1529 CG1 ILE A 112 24.968 8.782 59.298 1.00 -0.04 C \nATOM 1530 CG2 ILE A 112 25.594 7.821 57.069 1.00 -0.32 C \nATOM 1531 CD1 ILE A 112 24.804 10.243 58.936 1.00 -0.07 C \nATOM 1532 HA ILE A 112 25.544 6.082 59.257 1.00 0.09 H \nATOM 1533 HB ILE A 112 26.944 8.715 58.466 1.00 0.02 H \nATOM 1534 HG12 ILE A 112 24.011 8.270 59.119 1.00 0.02 H \nATOM 1535 HG13 ILE A 112 25.226 8.715 60.365 1.00 0.02 H \nATOM 1536 HD11 ILE A 112 24.545 10.330 57.871 1.00 0.02 H \nATOM 1537 HD12 ILE A 112 24.002 10.684 59.546 1.00 0.02 H \nATOM 1538 HD13 ILE A 112 25.746 10.776 59.129 1.00 0.02 H \nATOM 1539 HG21 ILE A 112 24.721 7.151 57.077 1.00 0.09 H \nATOM 1540 HG22 ILE A 112 25.318 8.777 56.599 1.00 0.09 H \nATOM 1541 HG23 ILE A 112 26.410 7.354 56.498 1.00 0.09 H \nATOM 1542 H ILE A 112 27.383 7.844 60.732 1.00 0.27 H \nATOM 1543 N THR A 113 27.198 4.978 57.642 1.00 -0.42 N \nATOM 1544 CA THR A 113 28.229 4.353 56.822 1.00 -0.04 C \nATOM 1545 C THR A 113 28.035 4.907 55.414 1.00 0.60 C \nATOM 1546 O THR A 113 26.999 4.694 54.780 1.00 -0.57 O \nATOM 1547 CB THR A 113 28.113 2.816 56.820 1.00 0.37 C \nATOM 1548 OG1 THR A 113 27.083 2.424 55.913 1.00 -0.68 O \nATOM 1549 CG2 THR A 113 27.778 2.300 58.211 1.00 -0.24 C \nATOM 1550 HA THR A 113 29.223 4.632 57.201 1.00 0.10 H \nATOM 1551 HB THR A 113 29.071 2.383 56.496 1.00 0.00 H \nATOM 1552 HG1 THR A 113 27.008 1.477 55.909 1.00 0.41 H \nATOM 1553 HG23 THR A 113 28.698 1.955 58.706 1.00 0.06 H \nATOM 1554 HG21 THR A 113 27.324 3.109 58.803 1.00 0.06 H \nATOM 1555 HG22 THR A 113 27.069 1.463 58.131 1.00 0.06 H \nATOM 1556 H THR A 113 26.272 4.602 57.675 1.00 0.27 H \nATOM 1557 N PHE A 114 29.030 5.648 54.940 1.00 -0.42 N \nATOM 1558 CA PHE A 114 28.940 6.265 53.623 1.00 -0.00 C \nATOM 1559 C PHE A 114 28.957 5.239 52.496 1.00 0.60 C \nATOM 1560 O PHE A 114 29.659 4.236 52.565 1.00 -0.57 O \nATOM 1561 CB PHE A 114 30.065 7.297 53.449 1.00 -0.03 C \nATOM 1562 CG PHE A 114 30.065 8.376 54.505 1.00 0.01 C \nATOM 1563 CD1 PHE A 114 28.862 8.853 55.046 1.00 -0.13 C \nATOM 1564 CD2 PHE A 114 31.264 8.922 54.957 1.00 -0.13 C \nATOM 1565 CE1 PHE A 114 28.858 9.857 56.026 1.00 -0.17 C \nATOM 1566 CE2 PHE A 114 31.277 9.927 55.933 1.00 -0.17 C \nATOM 1567 CZ PHE A 114 30.067 10.395 56.470 1.00 -0.11 C \nATOM 1568 HA PHE A 114 27.979 6.798 53.569 1.00 0.10 H \nATOM 1569 HB2 PHE A 114 31.030 6.770 53.490 1.00 0.03 H \nATOM 1570 HB3 PHE A 114 29.950 7.774 52.465 1.00 0.03 H \nATOM 1571 HD2 PHE A 114 32.202 8.564 54.547 1.00 0.13 H \nATOM 1572 HE2 PHE A 114 32.219 10.342 56.273 1.00 0.14 H \nATOM 1573 HZ PHE A 114 30.072 11.171 57.227 1.00 0.13 H \nATOM 1574 HE1 PHE A 114 27.920 10.213 56.437 1.00 0.14 H \nATOM 1575 HD1 PHE A 114 27.921 8.440 54.702 1.00 0.13 H \nATOM 1576 H PHE A 114 29.851 5.784 55.494 1.00 0.27 H \nATOM 1577 N ARG A 115 28.162 5.497 51.469 1.00 -0.35 N \nATOM 1578 CA ARG A 115 28.053 4.613 50.329 1.00 -0.26 C \nATOM 1579 C ARG A 115 27.317 5.412 49.281 1.00 0.73 C \nATOM 1580 O ARG A 115 27.175 6.629 49.422 1.00 -0.59 O \nATOM 1581 CB ARG A 115 27.224 3.379 50.681 1.00 -0.00 C \nATOM 1582 CG ARG A 115 25.822 3.704 51.207 1.00 0.04 C \nATOM 1583 CD ARG A 115 24.860 2.537 51.017 1.00 0.05 C \nATOM 1584 NE ARG A 115 24.495 2.369 49.610 1.00 -0.53 N \nATOM 1585 CZ ARG A 115 23.898 1.289 49.112 1.00 0.81 C \nATOM 1586 NH1 ARG A 115 23.594 0.270 49.912 1.00 -0.86 N \nATOM 1587 NH2 ARG A 115 23.620 1.224 47.814 1.00 -0.86 N \nATOM 1588 HA ARG A 115 29.048 4.310 49.972 1.00 0.16 H \nATOM 1589 HB2 ARG A 115 27.120 2.761 49.777 1.00 0.03 H \nATOM 1590 HB3 ARG A 115 27.761 2.810 51.454 1.00 0.03 H \nATOM 1591 HG2 ARG A 115 25.890 3.938 52.280 1.00 0.03 H \nATOM 1592 HG3 ARG A 115 25.432 4.578 50.665 1.00 0.03 H \nATOM 1593 HD2 ARG A 115 25.341 1.615 51.374 1.00 0.07 H \nATOM 1594 HD3 ARG A 115 23.948 2.726 51.603 1.00 0.07 H \nATOM 1595 HE ARG A 115 24.715 3.138 48.961 1.00 0.35 H \nATOM 1596 HH12 ARG A 115 23.132 -0.566 49.528 1.00 0.45 H \nATOM 1597 HH11 ARG A 115 23.821 0.318 50.916 1.00 0.45 H \nATOM 1598 HH22 ARG A 115 23.158 0.389 47.427 1.00 0.45 H \nATOM 1599 HH21 ARG A 115 23.867 2.009 47.195 1.00 0.45 H \nATOM 1600 H ARG A 115 27.616 6.335 51.482 1.00 0.27 H \nATOM 1601 N MET A 116 26.836 4.734 48.244 1.00 -0.42 N \nATOM 1602 CA MET A 116 26.095 5.406 47.192 1.00 -0.02 C \nATOM 1603 C MET A 116 24.885 6.088 47.825 1.00 0.60 C \nATOM 1604 O MET A 116 24.133 5.453 48.564 1.00 -0.57 O \nATOM 1605 CB MET A 116 25.645 4.398 46.145 1.00 0.03 C \nATOM 1606 CG MET A 116 24.958 5.024 44.953 1.00 0.00 C \nATOM 1607 SD MET A 116 26.093 6.023 43.961 1.00 -0.27 S \nATOM 1608 CE MET A 116 25.169 6.138 42.415 1.00 -0.05 C \nATOM 1609 HA MET A 116 26.736 6.162 46.714 1.00 0.09 H \nATOM 1610 HB2 MET A 116 26.530 3.850 45.788 1.00 0.02 H \nATOM 1611 HB3 MET A 116 24.945 3.694 46.619 1.00 0.02 H \nATOM 1612 HG2 MET A 116 24.545 4.224 44.321 1.00 0.04 H \nATOM 1613 HG3 MET A 116 24.141 5.667 45.312 1.00 0.04 H \nATOM 1614 HE1 MET A 116 24.196 6.615 42.604 1.00 0.07 H \nATOM 1615 HE2 MET A 116 25.738 6.740 41.692 1.00 0.07 H \nATOM 1616 HE3 MET A 116 25.010 5.129 42.007 1.00 0.07 H \nATOM 1617 H MET A 116 26.987 3.747 48.188 1.00 0.27 H \nATOM 1618 N ASN A 117 24.730 7.386 47.535 1.00 -0.42 N \nATOM 1619 CA ASN A 117 23.642 8.240 48.043 1.00 0.01 C \nATOM 1620 C ASN A 117 23.749 8.613 49.520 1.00 0.60 C \nATOM 1621 O ASN A 117 22.808 9.150 50.099 1.00 -0.57 O \nATOM 1622 CB ASN A 117 22.272 7.606 47.772 1.00 -0.20 C \nATOM 1623 CG ASN A 117 21.896 7.649 46.300 1.00 0.71 C \nATOM 1624 OD1 ASN A 117 21.836 8.726 45.690 1.00 -0.59 O \nATOM 1625 ND2 ASN A 117 21.645 6.480 45.718 1.00 -0.92 N \nATOM 1626 HA ASN A 117 23.691 9.180 47.474 1.00 0.10 H \nATOM 1627 HB2 ASN A 117 22.297 6.556 48.100 1.00 0.08 H \nATOM 1628 HB3 ASN A 117 21.510 8.152 48.348 1.00 0.08 H \nATOM 1629 HD22 ASN A 117 21.393 6.447 44.751 1.00 0.42 H \nATOM 1630 HD21 ASN A 117 21.709 5.634 46.247 1.00 0.42 H \nATOM 1631 H ASN A 117 25.403 7.808 46.928 1.00 0.27 H \nATOM 1632 N VAL A 118 24.894 8.334 50.130 1.00 -0.42 N \nATOM 1633 CA VAL A 118 25.093 8.674 51.527 1.00 -0.09 C \nATOM 1634 C VAL A 118 26.516 9.192 51.680 1.00 0.60 C \nATOM 1635 O VAL A 118 27.459 8.409 51.721 1.00 -0.57 O \nATOM 1636 CB VAL A 118 24.902 7.445 52.446 1.00 0.30 C \nATOM 1637 CG1 VAL A 118 24.998 7.876 53.914 1.00 -0.32 C \nATOM 1638 CG2 VAL A 118 23.561 6.764 52.148 1.00 -0.32 C \nATOM 1639 HA VAL A 118 24.376 9.456 51.818 1.00 0.10 H \nATOM 1640 HB VAL A 118 25.708 6.725 52.242 1.00 -0.03 H \nATOM 1641 HG11 VAL A 118 24.222 8.625 54.128 1.00 0.08 H \nATOM 1642 HG12 VAL A 118 24.851 7.000 54.564 1.00 0.08 H \nATOM 1643 HG13 VAL A 118 25.990 8.312 54.104 1.00 0.08 H \nATOM 1644 HG21 VAL A 118 23.538 6.444 51.096 1.00 0.08 H \nATOM 1645 HG22 VAL A 118 23.442 5.886 52.801 1.00 0.08 H \nATOM 1646 HG23 VAL A 118 22.741 7.473 52.334 1.00 0.08 H \nATOM 1647 H VAL A 118 25.628 7.884 49.621 1.00 0.27 H \nATOM 1648 N ALA A 119 26.665 10.513 51.737 1.00 -0.42 N \nATOM 1649 CA ALA A 119 27.977 11.139 51.878 1.00 0.03 C \nATOM 1650 C ALA A 119 27.794 12.534 52.461 1.00 0.60 C \nATOM 1651 O ALA A 119 26.748 13.150 52.289 1.00 -0.57 O \nATOM 1652 CB ALA A 119 28.680 11.215 50.520 1.00 -0.18 C \nATOM 1653 HA ALA A 119 28.592 10.539 52.564 1.00 0.08 H \nATOM 1654 HB1 ALA A 119 29.665 11.688 50.643 1.00 0.06 H \nATOM 1655 HB2 ALA A 119 28.809 10.200 50.116 1.00 0.06 H \nATOM 1656 HB3 ALA A 119 28.071 11.811 49.825 1.00 0.06 H \nATOM 1657 H ALA A 119 25.854 11.095 51.682 1.00 0.27 H \nATOM 1658 N PRO A 120 28.817 13.051 53.160 1.00 -0.25 N \nATOM 1659 CA PRO A 120 28.743 14.381 53.768 1.00 -0.03 C \nATOM 1660 C PRO A 120 29.031 15.560 52.830 1.00 0.59 C \nATOM 1661 O PRO A 120 29.690 15.402 51.801 1.00 -0.57 O \nATOM 1662 CB PRO A 120 29.769 14.281 54.887 1.00 -0.01 C \nATOM 1663 CG PRO A 120 30.847 13.467 54.233 1.00 0.02 C \nATOM 1664 CD PRO A 120 30.063 12.367 53.552 1.00 0.02 C \nATOM 1665 HA PRO A 120 27.738 14.533 54.189 1.00 0.06 H \nATOM 1666 HD3 PRO A 120 29.859 11.538 54.245 1.00 0.04 H \nATOM 1667 HD2 PRO A 120 30.600 11.985 52.671 1.00 0.04 H \nATOM 1668 HG3 PRO A 120 31.542 13.055 54.980 1.00 0.02 H \nATOM 1669 HG2 PRO A 120 31.408 14.066 53.501 1.00 0.02 H \nATOM 1670 HB2 PRO A 120 30.139 15.274 55.183 1.00 0.03 H \nATOM 1671 HB3 PRO A 120 29.355 13.767 55.767 1.00 0.03 H \nATOM 1672 N ALA A 121 28.514 16.738 53.187 1.00 -0.42 N \nATOM 1673 CA ALA A 121 28.766 17.967 52.425 1.00 0.03 C \nATOM 1674 C ALA A 121 29.922 18.631 53.181 1.00 0.60 C \nATOM 1675 O ALA A 121 30.095 18.401 54.374 1.00 -0.57 O \nATOM 1676 CB ALA A 121 27.533 18.873 52.430 1.00 -0.18 C \nATOM 1677 HA ALA A 121 29.052 17.737 51.388 1.00 0.08 H \nATOM 1678 HB1 ALA A 121 27.746 19.785 51.854 1.00 0.06 H \nATOM 1679 HB2 ALA A 121 26.685 18.341 51.974 1.00 0.06 H \nATOM 1680 HB3 ALA A 121 27.281 19.144 53.466 1.00 0.06 H \nATOM 1681 H ALA A 121 27.935 16.785 54.001 1.00 0.27 H \nATOM 1682 N CYS A 122 30.726 19.430 52.495 1.00 -0.42 N \nATOM 1683 CA CYS A 122 31.870 20.086 53.128 1.00 0.02 C \nATOM 1684 C CYS A 122 31.524 21.351 53.887 1.00 0.60 C \nATOM 1685 O CYS A 122 30.724 22.167 53.426 1.00 -0.57 O \nATOM 1686 CB CYS A 122 32.922 20.492 52.092 1.00 -0.12 C \nATOM 1687 SG CYS A 122 33.638 19.206 51.105 1.00 -0.31 S \nATOM 1688 HA CYS A 122 32.315 19.367 53.832 1.00 0.11 H \nATOM 1689 HB2 CYS A 122 32.449 21.209 51.405 1.00 0.11 H \nATOM 1690 HB3 CYS A 122 33.742 20.988 52.632 1.00 0.11 H \nATOM 1691 HG CYS A 122 34.310 19.605 50.469 1.00 0.19 H \nATOM 1692 H CYS A 122 30.547 19.588 51.524 1.00 0.27 H \nATOM 1693 N LEU A 123 32.145 21.523 55.048 1.00 -0.42 N \nATOM 1694 CA LEU A 123 31.948 22.740 55.821 1.00 -0.05 C \nATOM 1695 C LEU A 123 33.058 23.647 55.321 1.00 0.60 C \nATOM 1696 O LEU A 123 34.216 23.250 55.288 1.00 -0.57 O \nATOM 1697 CB LEU A 123 32.110 22.471 57.323 1.00 -0.11 C \nATOM 1698 CG LEU A 123 30.841 21.958 58.013 1.00 0.35 C \nATOM 1699 CD1 LEU A 123 31.161 21.560 59.447 1.00 -0.41 C \nATOM 1700 CD2 LEU A 123 29.762 23.037 57.974 1.00 -0.41 C \nATOM 1701 HA LEU A 123 30.957 23.177 55.627 1.00 0.09 H \nATOM 1702 HB2 LEU A 123 32.902 21.719 57.455 1.00 0.05 H \nATOM 1703 HB3 LEU A 123 32.411 23.410 57.810 1.00 0.05 H \nATOM 1704 HG LEU A 123 30.474 21.072 57.474 1.00 -0.04 H \nATOM 1705 HD21 LEU A 123 29.539 23.295 56.928 1.00 0.10 H \nATOM 1706 HD22 LEU A 123 28.850 22.661 58.461 1.00 0.10 H \nATOM 1707 HD23 LEU A 123 30.119 23.932 58.505 1.00 0.10 H \nATOM 1708 HD11 LEU A 123 31.554 22.432 59.990 1.00 0.10 H \nATOM 1709 HD12 LEU A 123 30.246 21.202 59.941 1.00 0.10 H \nATOM 1710 HD13 LEU A 123 31.914 20.758 59.446 1.00 0.10 H \nATOM 1711 H LEU A 123 32.754 20.809 55.394 1.00 0.27 H \nATOM 1712 N PRO A 124 32.723 24.871 54.895 1.00 -0.25 N \nATOM 1713 CA PRO A 124 33.778 25.764 54.405 1.00 -0.03 C \nATOM 1714 C PRO A 124 34.311 26.652 55.517 1.00 0.59 C \nATOM 1715 O PRO A 124 33.890 26.528 56.669 1.00 -0.57 O \nATOM 1716 CB PRO A 124 33.053 26.587 53.356 1.00 -0.01 C \nATOM 1717 CG PRO A 124 31.726 26.830 54.040 1.00 0.02 C \nATOM 1718 CD PRO A 124 31.389 25.439 54.620 1.00 0.02 C \nATOM 1719 HA PRO A 124 34.607 25.193 53.961 1.00 0.06 H \nATOM 1720 HD3 PRO A 124 30.840 24.827 53.889 1.00 0.04 H \nATOM 1721 HD2 PRO A 124 30.797 25.527 55.543 1.00 0.04 H \nATOM 1722 HG3 PRO A 124 30.961 27.156 53.320 1.00 0.02 H \nATOM 1723 HG2 PRO A 124 31.822 27.581 54.838 1.00 0.02 H \nATOM 1724 HB2 PRO A 124 33.579 27.531 53.149 1.00 0.03 H \nATOM 1725 HB3 PRO A 124 32.927 26.025 52.419 1.00 0.03 H \nATOM 1726 N GLU A 124A 35.247 27.534 55.164 1.00 -0.52 N \nATOM 1727 CA GLU A 124A 35.780 28.498 56.122 1.00 0.04 C \nATOM 1728 C GLU A 124A 34.971 29.746 55.849 1.00 0.54 C \nATOM 1729 O GLU A 124A 34.650 30.029 54.698 1.00 -0.58 O \nATOM 1730 CB GLU A 124A 37.257 28.779 55.877 1.00 0.06 C \nATOM 1731 CG GLU A 124A 38.122 27.571 56.083 1.00 0.01 C \nATOM 1732 CD GLU A 124A 39.586 27.899 55.982 1.00 0.81 C \nATOM 1733 OE1 GLU A 124A 39.938 28.791 55.177 1.00 -0.82 O \nATOM 1734 OE2 GLU A 124A 40.382 27.255 56.698 1.00 -0.82 O \nATOM 1735 HA GLU A 124A 35.636 28.146 57.154 1.00 0.11 H \nATOM 1736 HB2 GLU A 124A 37.381 29.127 54.841 1.00 -0.02 H \nATOM 1737 HB3 GLU A 124A 37.584 29.568 56.571 1.00 -0.02 H \nATOM 1738 HG2 GLU A 124A 37.920 27.156 57.081 1.00 -0.04 H \nATOM 1739 HG3 GLU A 124A 37.873 26.822 55.317 1.00 -0.04 H \nATOM 1740 H GLU A 124A 35.590 27.535 54.225 1.00 0.29 H \nATOM 1741 N ARG A 125 34.634 30.488 56.897 1.00 -0.35 N \nATOM 1742 CA ARG A 125 33.822 31.688 56.751 1.00 -0.26 C \nATOM 1743 C ARG A 125 34.270 32.685 55.689 1.00 0.73 C \nATOM 1744 O ARG A 125 33.549 32.926 54.720 1.00 -0.59 O \nATOM 1745 CB ARG A 125 33.721 32.412 58.092 1.00 -0.00 C \nATOM 1746 CG ARG A 125 32.800 33.623 58.055 1.00 0.04 C \nATOM 1747 CD ARG A 125 32.995 34.504 59.275 1.00 0.05 C \nATOM 1748 NE ARG A 125 34.362 35.024 59.337 1.00 -0.53 N \nATOM 1749 CZ ARG A 125 34.845 35.747 60.344 1.00 0.81 C \nATOM 1750 NH1 ARG A 125 34.064 36.042 61.379 1.00 -0.86 N \nATOM 1751 NH2 ARG A 125 36.106 36.166 60.328 1.00 -0.86 N \nATOM 1752 HA ARG A 125 32.814 31.352 56.467 1.00 0.16 H \nATOM 1753 HB2 ARG A 125 33.338 31.705 58.842 1.00 0.03 H \nATOM 1754 HB3 ARG A 125 34.727 32.747 58.384 1.00 0.03 H \nATOM 1755 HG2 ARG A 125 33.017 34.210 57.151 1.00 0.03 H \nATOM 1756 HG3 ARG A 125 31.756 33.278 58.026 1.00 0.03 H \nATOM 1757 HD2 ARG A 125 32.292 35.348 59.225 1.00 0.07 H \nATOM 1758 HD3 ARG A 125 32.794 33.913 60.181 1.00 0.07 H \nATOM 1759 HE ARG A 125 34.992 34.816 58.549 1.00 0.35 H \nATOM 1760 HH12 ARG A 125 34.434 36.601 62.161 1.00 0.45 H \nATOM 1761 HH11 ARG A 125 33.089 35.711 61.399 1.00 0.45 H \nATOM 1762 HH22 ARG A 125 36.473 36.725 61.111 1.00 0.45 H \nATOM 1763 HH21 ARG A 125 36.717 35.931 59.532 1.00 0.45 H \nATOM 1764 H ARG A 125 34.945 30.217 57.808 1.00 0.27 H \nATOM 1765 N ASP A 126 35.453 33.269 55.885 1.00 -0.52 N \nATOM 1766 CA ASP A 126 35.978 34.278 54.971 1.00 0.04 C \nATOM 1767 C ASP A 126 35.951 33.851 53.513 1.00 0.54 C \nATOM 1768 O ASP A 126 35.429 34.572 52.660 1.00 -0.58 O \nATOM 1769 CB ASP A 126 37.400 34.680 55.374 1.00 -0.03 C \nATOM 1770 CG ASP A 126 37.428 35.532 56.630 1.00 0.80 C \nATOM 1771 OD1 ASP A 126 38.522 35.988 57.027 1.00 -0.80 O \nATOM 1772 OD2 ASP A 126 36.352 35.750 57.227 1.00 -0.80 O \nATOM 1773 HA ASP A 126 35.336 35.166 55.064 1.00 0.09 H \nATOM 1774 HB2 ASP A 126 37.987 33.767 55.553 1.00 -0.01 H \nATOM 1775 HB3 ASP A 126 37.852 35.251 54.550 1.00 -0.01 H \nATOM 1776 H ASP A 126 35.997 33.007 56.683 1.00 0.29 H \nATOM 1777 N TRP A 127 36.511 32.680 53.224 1.00 -0.42 N \nATOM 1778 CA TRP A 127 36.520 32.157 51.863 1.00 -0.03 C \nATOM 1779 C TRP A 127 35.099 31.931 51.331 1.00 0.60 C \nATOM 1780 O TRP A 127 34.789 32.287 50.192 1.00 -0.57 O \nATOM 1781 CB TRP A 127 37.279 30.831 51.809 1.00 -0.01 C \nATOM 1782 CG TRP A 127 37.320 30.248 50.424 1.00 -0.14 C \nATOM 1783 CD1 TRP A 127 38.028 30.726 49.362 1.00 -0.16 C \nATOM 1784 CD2 TRP A 127 36.588 29.109 49.940 1.00 0.12 C \nATOM 1785 NE1 TRP A 127 37.785 29.961 48.247 1.00 -0.34 N \nATOM 1786 CE2 TRP A 127 36.907 28.961 48.572 1.00 0.14 C \nATOM 1787 CE3 TRP A 127 35.697 28.199 50.530 1.00 -0.24 C \nATOM 1788 CZ2 TRP A 127 36.366 27.941 47.780 1.00 -0.26 C \nATOM 1789 CZ3 TRP A 127 35.158 27.180 49.741 1.00 -0.20 C \nATOM 1790 CH2 TRP A 127 35.498 27.062 48.379 1.00 -0.11 C \nATOM 1791 HA TRP A 127 37.027 32.886 51.215 1.00 0.11 H \nATOM 1792 HB2 TRP A 127 38.311 31.001 52.151 1.00 0.03 H \nATOM 1793 HB3 TRP A 127 36.784 30.113 52.479 1.00 0.03 H \nATOM 1794 HE1 TRP A 127 38.197 30.115 47.316 1.00 0.34 H \nATOM 1795 HD1 TRP A 127 38.691 31.590 49.393 1.00 0.21 H \nATOM 1796 HZ2 TRP A 127 36.623 27.849 46.731 1.00 0.16 H \nATOM 1797 HH2 TRP A 127 35.065 26.260 47.792 1.00 0.14 H \nATOM 1798 HZ3 TRP A 127 34.468 26.470 50.183 1.00 0.14 H \nATOM 1799 HE3 TRP A 127 35.432 28.285 51.578 1.00 0.17 H \nATOM 1800 H TRP A 127 36.935 32.147 53.956 1.00 0.27 H \nATOM 1801 N ALA A 128 34.239 31.338 52.154 1.00 -0.42 N \nATOM 1802 CA ALA A 128 32.864 31.063 51.743 1.00 0.03 C \nATOM 1803 C ALA A 128 32.080 32.330 51.401 1.00 0.60 C \nATOM 1804 O ALA A 128 31.385 32.379 50.387 1.00 -0.57 O \nATOM 1805 CB ALA A 128 32.128 30.287 52.836 1.00 -0.18 C \nATOM 1806 HA ALA A 128 32.904 30.437 50.840 1.00 0.08 H \nATOM 1807 HB1 ALA A 128 31.096 30.088 52.512 1.00 0.06 H \nATOM 1808 HB2 ALA A 128 32.645 29.334 53.020 1.00 0.06 H \nATOM 1809 HB3 ALA A 128 32.114 30.881 53.761 1.00 0.06 H \nATOM 1810 H ALA A 128 34.539 31.075 53.071 1.00 0.27 H \nATOM 1811 N GLU A 129 32.189 33.355 52.244 1.00 -0.52 N \nATOM 1812 CA GLU A 129 31.452 34.593 52.019 1.00 0.04 C \nATOM 1813 C GLU A 129 31.946 35.405 50.818 1.00 0.54 C \nATOM 1814 O GLU A 129 31.159 36.102 50.170 1.00 -0.58 O \nATOM 1815 CB GLU A 129 31.461 35.440 53.298 1.00 0.06 C \nATOM 1816 CG GLU A 129 31.031 34.655 54.529 1.00 0.01 C \nATOM 1817 CD GLU A 129 30.703 35.535 55.716 1.00 0.81 C \nATOM 1818 OE1 GLU A 129 31.273 36.645 55.805 1.00 -0.82 O \nATOM 1819 OE2 GLU A 129 29.892 35.102 56.563 1.00 -0.82 O \nATOM 1820 HA GLU A 129 30.409 34.315 51.809 1.00 0.11 H \nATOM 1821 HB2 GLU A 129 32.481 35.819 53.461 1.00 -0.02 H \nATOM 1822 HB3 GLU A 129 30.772 36.287 53.163 1.00 -0.02 H \nATOM 1823 HG2 GLU A 129 30.138 34.066 54.273 1.00 -0.04 H \nATOM 1824 HG3 GLU A 129 31.848 33.976 54.813 1.00 -0.04 H \nATOM 1825 H GLU A 129 32.785 33.275 53.043 1.00 0.29 H \nATOM 1826 N SER A 130 33.238 35.303 50.512 1.00 -0.42 N \nATOM 1827 CA SER A 130 33.813 36.025 49.378 1.00 -0.02 C \nATOM 1828 C SER A 130 33.698 35.244 48.084 1.00 0.60 C \nATOM 1829 O SER A 130 33.434 35.816 47.028 1.00 -0.57 O \nATOM 1830 CB SER A 130 35.299 36.309 49.604 1.00 0.21 C \nATOM 1831 OG SER A 130 35.506 37.078 50.772 1.00 -0.65 O \nATOM 1832 HA SER A 130 33.275 36.978 49.269 1.00 0.08 H \nATOM 1833 HB2 SER A 130 35.835 35.354 49.705 1.00 0.04 H \nATOM 1834 HB3 SER A 130 35.694 36.861 48.738 1.00 0.04 H \nATOM 1835 HG SER A 130 36.436 37.238 50.885 1.00 0.43 H \nATOM 1836 H SER A 130 33.828 34.720 51.070 1.00 0.27 H \nATOM 1837 N THR A 131 33.883 33.931 48.177 1.00 -0.42 N \nATOM 1838 CA THR A 131 33.879 33.080 46.996 1.00 -0.04 C \nATOM 1839 C THR A 131 32.635 32.265 46.705 1.00 0.60 C \nATOM 1840 O THR A 131 32.181 32.219 45.563 1.00 -0.57 O \nATOM 1841 CB THR A 131 35.077 32.110 47.030 1.00 0.37 C \nATOM 1842 OG1 THR A 131 36.286 32.850 47.243 1.00 -0.68 O \nATOM 1843 CG2 THR A 131 35.177 31.350 45.714 1.00 -0.24 C \nATOM 1844 HA THR A 131 34.014 33.756 46.138 1.00 0.10 H \nATOM 1845 HB THR A 131 34.938 31.393 47.853 1.00 0.00 H \nATOM 1846 HG1 THR A 131 37.024 32.252 47.264 1.00 0.41 H \nATOM 1847 HG23 THR A 131 34.719 30.357 45.828 1.00 0.06 H \nATOM 1848 HG21 THR A 131 34.649 31.909 44.927 1.00 0.06 H \nATOM 1849 HG22 THR A 131 36.235 31.236 45.436 1.00 0.06 H \nATOM 1850 H THR A 131 34.028 33.519 49.077 1.00 0.27 H \nATOM 1851 N LEU A 131A 32.088 31.610 47.719 1.00 -0.42 N \nATOM 1852 CA LEU A 131A 30.897 30.792 47.506 1.00 -0.05 C \nATOM 1853 C LEU A 131A 29.614 31.611 47.416 1.00 0.60 C \nATOM 1854 O LEU A 131A 28.828 31.443 46.485 1.00 -0.57 O \nATOM 1855 CB LEU A 131A 30.757 29.739 48.617 1.00 -0.11 C \nATOM 1856 CG LEU A 131A 31.851 28.680 48.665 1.00 0.35 C \nATOM 1857 CD1 LEU A 131A 31.555 27.688 49.775 1.00 -0.41 C \nATOM 1858 CD2 LEU A 131A 31.936 27.965 47.315 1.00 -0.41 C \nATOM 1859 HA LEU A 131A 31.025 30.266 46.549 1.00 0.09 H \nATOM 1860 HB2 LEU A 131A 30.753 30.265 49.583 1.00 0.05 H \nATOM 1861 HB3 LEU A 131A 29.795 29.225 48.476 1.00 0.05 H \nATOM 1862 HG LEU A 131A 32.815 29.168 48.871 1.00 -0.04 H \nATOM 1863 HD21 LEU A 131A 32.160 28.697 46.526 1.00 0.10 H \nATOM 1864 HD22 LEU A 131A 32.734 27.208 47.350 1.00 0.10 H \nATOM 1865 HD23 LEU A 131A 30.975 27.475 47.099 1.00 0.10 H \nATOM 1866 HD11 LEU A 131A 30.582 27.210 49.590 1.00 0.10 H \nATOM 1867 HD12 LEU A 131A 32.342 26.920 49.799 1.00 0.10 H \nATOM 1868 HD13 LEU A 131A 31.527 28.215 50.740 1.00 0.10 H \nATOM 1869 H LEU A 131A 32.491 31.676 48.632 1.00 0.27 H \nATOM 1870 N MET A 131B 29.410 32.504 48.376 1.00 -0.42 N \nATOM 1871 CA MET A 131B 28.201 33.300 48.403 1.00 -0.02 C \nATOM 1872 C MET A 131B 28.122 34.411 47.379 1.00 0.60 C \nATOM 1873 O MET A 131B 27.126 35.118 47.312 1.00 -0.57 O \nATOM 1874 CB MET A 131B 27.978 33.836 49.812 1.00 0.03 C \nATOM 1875 CG MET A 131B 27.775 32.707 50.798 1.00 0.00 C \nATOM 1876 SD MET A 131B 27.313 33.250 52.401 1.00 -0.27 S \nATOM 1877 CE MET A 131B 25.544 33.435 52.198 1.00 -0.05 C \nATOM 1878 HA MET A 131B 27.371 32.615 48.176 1.00 0.09 H \nATOM 1879 HB2 MET A 131B 28.856 34.425 50.116 1.00 0.02 H \nATOM 1880 HB3 MET A 131B 27.086 34.480 49.815 1.00 0.02 H \nATOM 1881 HG2 MET A 131B 26.984 32.047 50.413 1.00 0.04 H \nATOM 1882 HG3 MET A 131B 28.716 32.143 50.880 1.00 0.04 H \nATOM 1883 HE1 MET A 131B 25.105 32.469 51.907 1.00 0.07 H \nATOM 1884 HE2 MET A 131B 25.099 33.769 53.147 1.00 0.07 H \nATOM 1885 HE3 MET A 131B 25.341 34.180 51.415 1.00 0.07 H \nATOM 1886 H MET A 131B 30.100 32.629 49.089 1.00 0.27 H \nATOM 1887 N THR A 132 29.168 34.558 46.577 1.00 -0.42 N \nATOM 1888 CA THR A 132 29.189 35.565 45.526 1.00 -0.04 C \nATOM 1889 C THR A 132 28.935 34.879 44.174 1.00 0.60 C \nATOM 1890 O THR A 132 28.808 35.545 43.142 1.00 -0.57 O \nATOM 1891 CB THR A 132 30.530 36.347 45.503 1.00 0.37 C \nATOM 1892 OG1 THR A 132 31.626 35.430 45.478 1.00 -0.68 O \nATOM 1893 CG2 THR A 132 30.644 37.251 46.729 1.00 -0.24 C \nATOM 1894 HA THR A 132 28.377 36.283 45.715 1.00 0.10 H \nATOM 1895 HB THR A 132 30.563 36.970 44.597 1.00 0.00 H \nATOM 1896 HG1 THR A 132 32.443 35.914 45.464 1.00 0.41 H \nATOM 1897 HG23 THR A 132 30.357 38.277 46.456 1.00 0.06 H \nATOM 1898 HG21 THR A 132 29.975 36.881 47.521 1.00 0.06 H \nATOM 1899 HG22 THR A 132 31.682 37.245 47.093 1.00 0.06 H \nATOM 1900 H THR A 132 29.962 33.962 46.697 1.00 0.27 H \nATOM 1901 N GLN A 133 28.863 33.544 44.191 1.00 -0.42 N \nATOM 1902 CA GLN A 133 28.575 32.749 42.990 1.00 -0.00 C \nATOM 1903 C GLN A 133 27.165 33.140 42.550 1.00 0.60 C \nATOM 1904 O GLN A 133 26.407 33.718 43.333 1.00 -0.57 O \nATOM 1905 CB GLN A 133 28.564 31.252 43.318 1.00 -0.00 C \nATOM 1906 CG GLN A 133 29.858 30.692 43.842 1.00 -0.06 C \nATOM 1907 CD GLN A 133 30.892 30.554 42.761 1.00 0.70 C \nATOM 1908 OE1 GLN A 133 32.095 30.573 43.031 1.00 -0.61 O \nATOM 1909 NE2 GLN A 133 30.435 30.404 41.522 1.00 -0.94 N \nATOM 1910 HA GLN A 133 29.311 32.961 42.200 1.00 0.09 H \nATOM 1911 HB2 GLN A 133 27.788 31.078 44.077 1.00 0.02 H \nATOM 1912 HB3 GLN A 133 28.307 30.706 42.398 1.00 0.02 H \nATOM 1913 HG2 GLN A 133 30.246 31.365 44.621 1.00 0.04 H \nATOM 1914 HG3 GLN A 133 29.665 29.700 44.277 1.00 0.04 H \nATOM 1915 HE22 GLN A 133 31.076 30.307 40.761 1.00 0.43 H \nATOM 1916 HE21 GLN A 133 29.450 30.388 41.351 1.00 0.43 H \nATOM 1917 H GLN A 133 29.011 33.067 45.057 1.00 0.27 H \nATOM 1918 N LYS A 134 26.797 32.810 41.317 1.00 -0.35 N \nATOM 1919 CA LYS A 134 25.461 33.150 40.840 1.00 -0.24 C \nATOM 1920 C LYS A 134 24.375 32.412 41.601 1.00 0.73 C \nATOM 1921 O LYS A 134 23.333 32.982 41.911 1.00 -0.59 O \nATOM 1922 CB LYS A 134 25.308 32.826 39.352 1.00 -0.01 C \nATOM 1923 CG LYS A 134 26.060 33.758 38.437 1.00 0.02 C \nATOM 1924 CD LYS A 134 25.512 35.177 38.530 1.00 -0.05 C \nATOM 1925 CE LYS A 134 26.614 36.200 38.250 1.00 -0.01 C \nATOM 1926 NZ LYS A 134 27.687 36.165 39.309 1.00 -0.39 N \nATOM 1927 HA LYS A 134 25.315 34.231 40.983 1.00 0.14 H \nATOM 1928 HB2 LYS A 134 25.676 31.804 39.182 1.00 0.04 H \nATOM 1929 HB3 LYS A 134 24.240 32.878 39.095 1.00 0.04 H \nATOM 1930 HG2 LYS A 134 27.122 33.763 38.723 1.00 0.01 H \nATOM 1931 HG3 LYS A 134 25.961 33.402 37.401 1.00 0.01 H \nATOM 1932 HD2 LYS A 134 24.706 35.302 37.792 1.00 0.06 H \nATOM 1933 HD3 LYS A 134 25.112 35.344 39.541 1.00 0.06 H \nATOM 1934 HE2 LYS A 134 27.069 35.976 37.274 1.00 0.11 H \nATOM 1935 HE3 LYS A 134 26.169 37.206 38.226 1.00 0.11 H \nATOM 1936 HZ1 LYS A 134 28.097 35.245 39.341 1.00 0.34 H \nATOM 1937 HZ2 LYS A 134 28.399 36.843 39.088 1.00 0.34 H \nATOM 1938 HZ3 LYS A 134 27.281 36.384 40.206 1.00 0.34 H \nATOM 1939 H LYS A 134 27.435 32.329 40.716 1.00 0.27 H \nATOM 1940 N THR A 135 24.623 31.145 41.914 1.00 -0.42 N \nATOM 1941 CA THR A 135 23.613 30.349 42.592 1.00 -0.04 C \nATOM 1942 C THR A 135 24.069 29.362 43.666 1.00 0.60 C \nATOM 1943 O THR A 135 25.262 29.108 43.870 1.00 -0.57 O \nATOM 1944 CB THR A 135 22.813 29.514 41.566 1.00 0.37 C \nATOM 1945 OG1 THR A 135 23.694 28.564 40.950 1.00 -0.68 O \nATOM 1946 CG2 THR A 135 22.210 30.401 40.481 1.00 -0.24 C \nATOM 1947 HA THR A 135 22.931 31.063 43.077 1.00 0.10 H \nATOM 1948 HB THR A 135 22.004 28.982 42.088 1.00 0.00 H \nATOM 1949 HG1 THR A 135 23.209 28.047 40.318 1.00 0.41 H \nATOM 1950 HG23 THR A 135 21.156 30.606 40.719 1.00 0.06 H \nATOM 1951 HG21 THR A 135 22.766 31.349 40.431 1.00 0.06 H \nATOM 1952 HG22 THR A 135 22.273 29.887 39.510 1.00 0.06 H \nATOM 1953 H THR A 135 25.507 30.738 41.683 1.00 0.27 H \nATOM 1954 N GLY A 136 23.062 28.803 44.328 1.00 -0.42 N \nATOM 1955 CA GLY A 136 23.255 27.789 45.343 1.00 -0.03 C \nATOM 1956 C GLY A 136 22.299 26.656 44.982 1.00 0.60 C \nATOM 1957 O GLY A 136 21.499 26.793 44.053 1.00 -0.57 O \nATOM 1958 HA3 GLY A 136 24.295 27.431 45.334 1.00 0.07 H \nATOM 1959 HA2 GLY A 136 23.014 28.192 46.338 1.00 0.07 H \nATOM 1960 H GLY A 136 22.130 29.096 44.116 1.00 0.27 H \nATOM 1961 N ILE A 137 22.372 25.534 45.690 1.00 -0.42 N \nATOM 1962 CA ILE A 137 21.484 24.410 45.414 1.00 -0.06 C \nATOM 1963 C ILE A 137 20.727 24.049 46.686 1.00 0.60 C \nATOM 1964 O ILE A 137 21.339 23.779 47.720 1.00 -0.57 O \nATOM 1965 CB ILE A 137 22.269 23.138 44.972 1.00 0.13 C \nATOM 1966 CG1 ILE A 137 23.098 23.415 43.718 1.00 -0.04 C \nATOM 1967 CG2 ILE A 137 21.290 21.982 44.725 1.00 -0.32 C \nATOM 1968 CD1 ILE A 137 22.260 23.625 42.462 1.00 -0.07 C \nATOM 1969 HA ILE A 137 20.776 24.697 44.622 1.00 0.09 H \nATOM 1970 HB ILE A 137 22.954 22.851 45.784 1.00 0.02 H \nATOM 1971 HG12 ILE A 137 23.697 24.321 43.891 1.00 0.02 H \nATOM 1972 HG13 ILE A 137 23.768 22.559 43.549 1.00 0.02 H \nATOM 1973 HD11 ILE A 137 21.583 24.479 42.611 1.00 0.02 H \nATOM 1974 HD12 ILE A 137 22.923 23.828 41.608 1.00 0.02 H \nATOM 1975 HD13 ILE A 137 21.669 22.719 42.260 1.00 0.02 H \nATOM 1976 HG21 ILE A 137 20.574 22.269 43.940 1.00 0.09 H \nATOM 1977 HG22 ILE A 137 21.849 21.091 44.404 1.00 0.09 H \nATOM 1978 HG23 ILE A 137 20.745 21.758 45.654 1.00 0.09 H \nATOM 1979 H ILE A 137 23.047 25.459 46.424 1.00 0.27 H \nATOM 1980 N VAL A 138 19.402 24.047 46.620 1.00 -0.42 N \nATOM 1981 CA VAL A 138 18.612 23.670 47.786 1.00 -0.09 C \nATOM 1982 C VAL A 138 17.920 22.355 47.422 1.00 0.60 C \nATOM 1983 O VAL A 138 17.673 22.087 46.240 1.00 -0.57 O \nATOM 1984 CB VAL A 138 17.566 24.766 48.165 1.00 0.30 C \nATOM 1985 CG1 VAL A 138 16.627 25.050 46.981 1.00 -0.32 C \nATOM 1986 CG2 VAL A 138 16.766 24.328 49.393 1.00 -0.32 C \nATOM 1987 HA VAL A 138 19.280 23.512 48.646 1.00 0.10 H \nATOM 1988 HB VAL A 138 18.105 25.693 48.411 1.00 -0.03 H \nATOM 1989 HG11 VAL A 138 16.101 24.126 46.700 1.00 0.08 H \nATOM 1990 HG12 VAL A 138 15.893 25.816 47.271 1.00 0.08 H \nATOM 1991 HG13 VAL A 138 17.215 25.412 46.125 1.00 0.08 H \nATOM 1992 HG21 VAL A 138 17.451 24.164 50.238 1.00 0.08 H \nATOM 1993 HG22 VAL A 138 16.040 25.111 49.656 1.00 0.08 H \nATOM 1994 HG23 VAL A 138 16.231 23.394 49.168 1.00 0.08 H \nATOM 1995 H VAL A 138 18.944 24.305 45.769 1.00 0.27 H \nATOM 1996 N SER A 139 17.621 21.526 48.417 1.00 -0.42 N \nATOM 1997 CA SER A 139 16.973 20.252 48.133 1.00 -0.02 C \nATOM 1998 C SER A 139 16.116 19.756 49.287 1.00 0.60 C \nATOM 1999 O SER A 139 16.277 20.200 50.423 1.00 -0.57 O \nATOM 2000 CB SER A 139 18.032 19.205 47.781 1.00 0.21 C \nATOM 2001 OG SER A 139 18.963 19.045 48.837 1.00 -0.65 O \nATOM 2002 HA SER A 139 16.317 20.392 47.261 1.00 0.08 H \nATOM 2003 HB2 SER A 139 17.536 18.242 47.591 1.00 0.04 H \nATOM 2004 HB3 SER A 139 18.568 19.526 46.876 1.00 0.04 H \nATOM 2005 HG SER A 139 19.608 18.391 48.594 1.00 0.43 H \nATOM 2006 H SER A 139 17.841 21.776 49.360 1.00 0.27 H \nATOM 2007 N GLY A 140 15.194 18.843 48.986 1.00 -0.42 N \nATOM 2008 CA GLY A 140 14.340 18.295 50.025 1.00 -0.03 C \nATOM 2009 C GLY A 140 13.132 17.519 49.531 1.00 0.60 C \nATOM 2010 O GLY A 140 12.881 17.432 48.324 1.00 -0.57 O \nATOM 2011 HA3 GLY A 140 14.949 17.619 50.643 1.00 0.07 H \nATOM 2012 HA2 GLY A 140 13.978 19.130 50.643 1.00 0.07 H \nATOM 2013 H GLY A 140 15.089 18.534 48.041 1.00 0.27 H \nATOM 2014 N PHE A 141 12.389 16.954 50.480 1.00 -0.42 N \nATOM 2015 CA PHE A 141 11.178 16.190 50.196 1.00 -0.00 C \nATOM 2016 C PHE A 141 9.933 17.029 50.504 1.00 0.60 C \nATOM 2017 O PHE A 141 8.824 16.512 50.507 1.00 -0.57 O \nATOM 2018 CB PHE A 141 11.118 14.914 51.047 1.00 -0.03 C \nATOM 2019 CG PHE A 141 12.173 13.886 50.713 1.00 0.01 C \nATOM 2020 CD1 PHE A 141 13.446 13.964 51.269 1.00 -0.13 C \nATOM 2021 CD2 PHE A 141 11.877 12.813 49.879 1.00 -0.13 C \nATOM 2022 CE1 PHE A 141 14.410 12.978 51.002 1.00 -0.17 C \nATOM 2023 CE2 PHE A 141 12.829 11.825 49.605 1.00 -0.17 C \nATOM 2024 CZ PHE A 141 14.096 11.908 50.167 1.00 -0.11 C \nATOM 2025 HA PHE A 141 11.176 15.914 49.131 1.00 0.10 H \nATOM 2026 HB2 PHE A 141 11.239 15.199 52.102 1.00 0.03 H \nATOM 2027 HB3 PHE A 141 10.130 14.451 50.903 1.00 0.03 H \nATOM 2028 HD2 PHE A 141 10.891 12.741 49.433 1.00 0.13 H \nATOM 2029 HE2 PHE A 141 12.578 10.995 48.954 1.00 0.14 H \nATOM 2030 HZ PHE A 141 14.836 11.145 49.957 1.00 0.13 H \nATOM 2031 HE1 PHE A 141 15.397 13.050 51.445 1.00 0.14 H \nATOM 2032 HD1 PHE A 141 13.697 14.796 51.917 1.00 0.13 H \nATOM 2033 H PHE A 141 12.674 17.058 51.433 1.00 0.27 H \nATOM 2034 N GLY A 142 10.121 18.317 50.765 1.00 -0.42 N \nATOM 2035 CA GLY A 142 8.998 19.185 51.076 1.00 -0.03 C \nATOM 2036 C GLY A 142 7.986 19.404 49.959 1.00 0.60 C \nATOM 2037 O GLY A 142 8.134 18.879 48.853 1.00 -0.57 O \nATOM 2038 HA3 GLY A 142 8.463 18.748 51.932 1.00 0.07 H \nATOM 2039 HA2 GLY A 142 9.402 20.168 51.360 1.00 0.07 H \nATOM 2040 H GLY A 142 11.047 18.694 50.747 1.00 0.27 H \nATOM 2041 N ARG A 143 6.948 20.185 50.265 1.00 -0.35 N \nATOM 2042 CA ARG A 143 5.874 20.507 49.324 1.00 -0.26 C \nATOM 2043 C ARG A 143 6.406 20.897 47.959 1.00 0.73 C \nATOM 2044 O ARG A 143 7.480 21.479 47.856 1.00 -0.59 O \nATOM 2045 CB ARG A 143 5.033 21.660 49.869 1.00 -0.00 C \nATOM 2046 CG ARG A 143 4.164 21.313 51.065 1.00 0.04 C \nATOM 2047 CD ARG A 143 3.678 22.581 51.740 1.00 0.05 C \nATOM 2048 NE ARG A 143 2.540 22.384 52.638 1.00 -0.53 N \nATOM 2049 CZ ARG A 143 2.488 21.494 53.625 1.00 0.81 C \nATOM 2050 NH1 ARG A 143 3.511 20.680 53.869 1.00 -0.86 N \nATOM 2051 NH2 ARG A 143 1.407 21.432 54.389 1.00 -0.86 N \nATOM 2052 HA ARG A 143 5.235 19.619 49.211 1.00 0.16 H \nATOM 2053 HB2 ARG A 143 5.716 22.469 50.167 1.00 0.03 H \nATOM 2054 HB3 ARG A 143 4.376 22.014 49.061 1.00 0.03 H \nATOM 2055 HG2 ARG A 143 3.298 20.725 50.727 1.00 0.03 H \nATOM 2056 HG3 ARG A 143 4.751 20.721 51.782 1.00 0.03 H \nATOM 2057 HD2 ARG A 143 4.510 23.001 52.324 1.00 0.07 H \nATOM 2058 HD3 ARG A 143 3.381 23.296 50.958 1.00 0.07 H \nATOM 2059 HE ARG A 143 1.714 22.982 52.495 1.00 0.35 H \nATOM 2060 HH12 ARG A 143 3.453 19.997 54.638 1.00 0.45 H \nATOM 2061 HH11 ARG A 143 4.361 20.733 53.289 1.00 0.45 H \nATOM 2062 HH22 ARG A 143 1.357 20.746 55.156 1.00 0.45 H \nATOM 2063 HH21 ARG A 143 0.617 22.070 54.216 1.00 0.45 H \nATOM 2064 H ARG A 143 6.901 20.571 51.186 1.00 0.27 H \nATOM 2065 N THR A 144 5.650 20.583 46.913 1.00 -0.42 N \nATOM 2066 CA THR A 144 6.056 20.921 45.554 1.00 -0.04 C \nATOM 2067 C THR A 144 5.228 22.105 45.078 1.00 0.60 C \nATOM 2068 O THR A 144 5.364 22.583 43.948 1.00 -0.57 O \nATOM 2069 CB THR A 144 5.861 19.734 44.601 1.00 0.37 C \nATOM 2070 OG1 THR A 144 4.516 19.251 44.702 1.00 -0.68 O \nATOM 2071 CG2 THR A 144 6.835 18.614 44.960 1.00 -0.24 C \nATOM 2072 HA THR A 144 7.120 21.200 45.558 1.00 0.10 H \nATOM 2073 HB THR A 144 6.052 20.063 43.569 1.00 0.00 H \nATOM 2074 HG1 THR A 144 4.398 18.516 44.111 1.00 0.41 H \nATOM 2075 HG23 THR A 144 7.708 18.659 44.292 1.00 0.06 H \nATOM 2076 HG21 THR A 144 7.165 18.735 46.002 1.00 0.06 H \nATOM 2077 HG22 THR A 144 6.334 17.642 44.845 1.00 0.06 H \nATOM 2078 H THR A 144 4.784 20.105 47.061 1.00 0.27 H \nATOM 2079 N HIS A 145 4.353 22.561 45.963 1.00 -0.42 N \nATOM 2080 CA HIS A 145 3.497 23.706 45.715 1.00 0.02 C \nATOM 2081 C HIS A 145 3.059 24.173 47.094 1.00 0.60 C \nATOM 2082 O HIS A 145 3.020 23.374 48.029 1.00 -0.57 O \nATOM 2083 CB HIS A 145 2.306 23.353 44.781 1.00 -0.05 C \nATOM 2084 CG HIS A 145 1.740 21.972 44.963 1.00 -0.03 C \nATOM 2085 ND1 HIS A 145 2.474 20.904 45.436 1.00 -0.38 N \nATOM 2086 CD2 HIS A 145 0.511 21.477 44.679 1.00 0.13 C \nATOM 2087 CE1 HIS A 145 1.724 19.814 45.436 1.00 0.21 C \nATOM 2088 NE2 HIS A 145 0.527 20.135 44.979 1.00 -0.57 N \nATOM 2089 HA HIS A 145 4.081 24.503 45.231 1.00 0.09 H \nATOM 2090 HB2 HIS A 145 1.500 24.079 44.967 1.00 0.04 H \nATOM 2091 HB3 HIS A 145 2.650 23.446 43.740 1.00 0.04 H \nATOM 2092 HD2 HIS A 145 -0.335 22.039 44.285 1.00 0.11 H \nATOM 2093 HE1 HIS A 145 2.039 18.823 45.758 1.00 0.14 H \nATOM 2094 HD1 HIS A 145 3.456 20.948 45.742 1.00 0.36 H \nATOM 2095 H HIS A 145 4.279 22.093 46.844 1.00 0.27 H \nATOM 2096 N GLU A 146 2.768 25.464 47.239 1.00 -0.52 N \nATOM 2097 CA GLU A 146 2.390 26.004 48.541 1.00 0.04 C \nATOM 2098 C GLU A 146 1.204 25.307 49.176 1.00 0.54 C \nATOM 2099 O GLU A 146 1.201 25.029 50.387 1.00 -0.58 O \nATOM 2100 CB GLU A 146 2.096 27.502 48.437 1.00 0.06 C \nATOM 2101 CG GLU A 146 2.142 28.208 49.781 1.00 0.01 C \nATOM 2102 CD GLU A 146 1.846 29.691 49.679 1.00 0.81 C \nATOM 2103 OE1 GLU A 146 2.459 30.363 48.820 1.00 -0.82 O \nATOM 2104 OE2 GLU A 146 1.003 30.187 50.463 1.00 -0.82 O \nATOM 2105 HA GLU A 146 3.251 25.869 49.212 1.00 0.11 H \nATOM 2106 HB2 GLU A 146 2.844 27.961 47.774 1.00 -0.02 H \nATOM 2107 HB3 GLU A 146 1.093 27.634 48.006 1.00 -0.02 H \nATOM 2108 HG2 GLU A 146 1.397 27.746 50.446 1.00 -0.04 H \nATOM 2109 HG3 GLU A 146 3.146 28.079 50.211 1.00 -0.04 H \nATOM 2110 H GLU A 146 2.809 26.071 46.446 1.00 0.29 H \nATOM 2111 N LYS A 147 0.197 25.007 48.366 1.00 -0.35 N \nATOM 2112 CA LYS A 147 -0.996 24.361 48.908 1.00 -0.24 C \nATOM 2113 C LYS A 147 -1.106 22.856 48.707 1.00 0.73 C \nATOM 2114 O LYS A 147 -2.201 22.297 48.801 1.00 -0.59 O \nATOM 2115 CB LYS A 147 -2.238 25.021 48.335 1.00 -0.01 C \nATOM 2116 CG LYS A 147 -2.499 26.378 48.953 1.00 0.02 C \nATOM 2117 CD LYS A 147 -3.722 27.042 48.346 1.00 -0.05 C \nATOM 2118 CE LYS A 147 -4.128 28.243 49.202 1.00 -0.01 C \nATOM 2119 NZ LYS A 147 -3.081 29.314 49.296 1.00 -0.39 N \nATOM 2120 HA LYS A 147 -0.983 24.537 49.994 1.00 0.14 H \nATOM 2121 HB2 LYS A 147 -2.105 25.145 47.250 1.00 0.04 H \nATOM 2122 HB3 LYS A 147 -3.105 24.372 48.526 1.00 0.04 H \nATOM 2123 HG2 LYS A 147 -2.660 26.253 50.034 1.00 0.01 H \nATOM 2124 HG3 LYS A 147 -1.623 27.021 48.785 1.00 0.01 H \nATOM 2125 HD2 LYS A 147 -3.487 27.381 47.326 1.00 0.06 H \nATOM 2126 HD3 LYS A 147 -4.551 26.320 48.310 1.00 0.06 H \nATOM 2127 HE2 LYS A 147 -5.036 28.686 48.767 1.00 0.11 H \nATOM 2128 HE3 LYS A 147 -4.346 27.884 50.219 1.00 0.11 H \nATOM 2129 HZ1 LYS A 147 -2.868 29.658 48.373 1.00 0.34 H \nATOM 2130 HZ2 LYS A 147 -3.425 30.071 49.866 1.00 0.34 H \nATOM 2131 HZ3 LYS A 147 -2.246 28.932 49.713 1.00 0.34 H \nATOM 2132 H LYS A 147 0.254 25.222 47.391 1.00 0.27 H \nATOM 2133 N GLY A 149 0.026 22.201 48.467 1.00 -0.42 N \nATOM 2134 CA GLY A 149 0.007 20.771 48.224 1.00 -0.03 C \nATOM 2135 C GLY A 149 0.742 19.857 49.206 1.00 0.60 C \nATOM 2136 O GLY A 149 1.155 20.252 50.308 1.00 -0.57 O \nATOM 2137 HA3 GLY A 149 -1.047 20.457 48.214 1.00 0.07 H \nATOM 2138 HA2 GLY A 149 0.449 20.604 47.231 1.00 0.07 H \nATOM 2139 H GLY A 149 0.895 22.697 48.454 1.00 0.27 H \nATOM 2140 N ARG A 150 0.934 18.615 48.769 1.00 -0.35 N \nATOM 2141 CA ARG A 150 1.588 17.598 49.576 1.00 -0.26 C \nATOM 2142 C ARG A 150 3.090 17.529 49.377 1.00 0.73 C \nATOM 2143 O ARG A 150 3.650 18.031 48.391 1.00 -0.59 O \nATOM 2144 CB ARG A 150 0.938 16.247 49.283 1.00 -0.00 C \nATOM 2145 CG ARG A 150 -0.472 16.126 49.847 1.00 0.04 C \nATOM 2146 CD ARG A 150 -0.448 15.941 51.361 1.00 0.05 C \nATOM 2147 NE ARG A 150 0.090 17.088 52.092 1.00 -0.53 N \nATOM 2148 CZ ARG A 150 0.215 17.136 53.417 1.00 0.81 C \nATOM 2149 NH1 ARG A 150 -0.158 16.103 54.163 1.00 -0.86 N \nATOM 2150 NH2 ARG A 150 0.716 18.217 54.000 1.00 -0.86 N \nATOM 2151 HA ARG A 150 1.410 17.845 50.633 1.00 0.16 H \nATOM 2152 HB2 ARG A 150 0.892 16.110 48.193 1.00 0.03 H \nATOM 2153 HB3 ARG A 150 1.561 15.456 49.726 1.00 0.03 H \nATOM 2154 HG2 ARG A 150 -1.034 17.040 49.606 1.00 0.03 H \nATOM 2155 HG3 ARG A 150 -0.969 15.259 49.388 1.00 0.03 H \nATOM 2156 HD2 ARG A 150 -1.478 15.764 51.704 1.00 0.07 H \nATOM 2157 HD3 ARG A 150 0.171 15.062 51.592 1.00 0.07 H \nATOM 2158 HE ARG A 150 0.391 17.909 51.548 1.00 0.35 H \nATOM 2159 HH12 ARG A 150 -0.059 16.145 55.187 1.00 0.45 H \nATOM 2160 HH11 ARG A 150 -0.546 15.259 53.717 1.00 0.45 H \nATOM 2161 HH22 ARG A 150 0.812 18.252 55.025 1.00 0.45 H \nATOM 2162 HH21 ARG A 150 1.009 19.022 53.428 1.00 0.45 H \nATOM 2163 H ARG A 150 0.617 18.372 47.852 1.00 0.27 H \nATOM 2164 N GLN A 151 3.716 16.931 50.382 1.00 -0.42 N \nATOM 2165 CA GLN A 151 5.147 16.721 50.431 1.00 -0.00 C \nATOM 2166 C GLN A 151 5.459 15.722 49.334 1.00 0.60 C \nATOM 2167 O GLN A 151 4.654 14.827 49.061 1.00 -0.57 O \nATOM 2168 CB GLN A 151 5.538 16.126 51.782 1.00 -0.00 C \nATOM 2169 CG GLN A 151 5.027 16.933 52.955 1.00 -0.06 C \nATOM 2170 CD GLN A 151 6.074 17.870 53.517 1.00 0.70 C \nATOM 2171 OE1 GLN A 151 5.748 18.867 54.170 1.00 -0.61 O \nATOM 2172 NE2 GLN A 151 7.344 17.545 53.285 1.00 -0.94 N \nATOM 2173 HA GLN A 151 5.685 17.666 50.265 1.00 0.09 H \nATOM 2174 HB2 GLN A 151 5.124 15.109 51.850 1.00 0.02 H \nATOM 2175 HB3 GLN A 151 6.635 16.080 51.840 1.00 0.02 H \nATOM 2176 HG2 GLN A 151 4.163 17.528 52.624 1.00 0.04 H \nATOM 2177 HG3 GLN A 151 4.712 16.240 53.749 1.00 0.04 H \nATOM 2178 HE22 GLN A 151 8.080 18.126 53.632 1.00 0.43 H \nATOM 2179 HE21 GLN A 151 7.562 16.720 52.764 1.00 0.43 H \nATOM 2180 H GLN A 151 3.166 16.606 51.152 1.00 0.27 H \nATOM 2181 N SER A 152 6.616 15.866 48.701 1.00 -0.42 N \nATOM 2182 CA SER A 152 6.991 14.955 47.632 1.00 -0.02 C \nATOM 2183 C SER A 152 7.518 13.623 48.164 1.00 0.60 C \nATOM 2184 O SER A 152 8.027 13.541 49.286 1.00 -0.57 O \nATOM 2185 CB SER A 152 8.038 15.611 46.721 1.00 0.21 C \nATOM 2186 OG SER A 152 9.213 15.948 47.435 1.00 -0.65 O \nATOM 2187 HA SER A 152 6.092 14.748 47.033 1.00 0.08 H \nATOM 2188 HB2 SER A 152 8.299 14.910 45.915 1.00 0.04 H \nATOM 2189 HB3 SER A 152 7.610 16.526 46.286 1.00 0.04 H \nATOM 2190 HG SER A 152 9.838 16.351 46.844 1.00 0.43 H \nATOM 2191 H SER A 152 7.235 16.607 48.961 1.00 0.27 H \nATOM 2192 N THR A 153 7.361 12.574 47.360 1.00 -0.42 N \nATOM 2193 CA THR A 153 7.850 11.248 47.721 1.00 -0.04 C \nATOM 2194 C THR A 153 9.198 11.090 47.047 1.00 0.60 C \nATOM 2195 O THR A 153 9.828 10.037 47.134 1.00 -0.57 O \nATOM 2196 CB THR A 153 6.929 10.097 47.218 1.00 0.37 C \nATOM 2197 OG1 THR A 153 6.617 10.300 45.833 1.00 -0.68 O \nATOM 2198 CG2 THR A 153 5.653 10.006 48.050 1.00 -0.24 C \nATOM 2199 HA THR A 153 7.953 11.179 48.814 1.00 0.10 H \nATOM 2200 HB THR A 153 7.474 9.147 47.318 1.00 0.00 H \nATOM 2201 HG1 THR A 153 6.055 9.597 45.529 1.00 0.41 H \nATOM 2202 HG23 THR A 153 5.763 9.214 48.805 1.00 0.06 H \nATOM 2203 HG21 THR A 153 5.473 10.968 48.552 1.00 0.06 H \nATOM 2204 HG22 THR A 153 4.803 9.771 47.393 1.00 0.06 H \nATOM 2205 H THR A 153 6.895 12.698 46.484 1.00 0.27 H \nATOM 2206 N ARG A 154 9.628 12.146 46.361 1.00 -0.35 N \nATOM 2207 CA ARG A 154 10.909 12.133 45.667 1.00 -0.26 C \nATOM 2208 C ARG A 154 11.780 13.319 46.040 1.00 0.73 C \nATOM 2209 O ARG A 154 11.329 14.459 46.106 1.00 -0.59 O \nATOM 2210 CB ARG A 154 10.693 12.082 44.150 1.00 -0.00 C \nATOM 2211 CG ARG A 154 9.738 10.961 43.770 1.00 0.04 C \nATOM 2212 CD ARG A 154 9.900 10.465 42.351 1.00 0.05 C \nATOM 2213 NE ARG A 154 11.066 9.604 42.186 1.00 -0.53 N \nATOM 2214 CZ ARG A 154 11.024 8.365 41.706 1.00 0.81 C \nATOM 2215 NH1 ARG A 154 9.872 7.820 41.348 1.00 -0.86 N \nATOM 2216 NH2 ARG A 154 12.146 7.685 41.547 1.00 -0.86 N \nATOM 2217 HA ARG A 154 11.443 11.219 45.967 1.00 0.16 H \nATOM 2218 HB2 ARG A 154 10.272 13.041 43.815 1.00 0.03 H \nATOM 2219 HB3 ARG A 154 11.661 11.913 43.655 1.00 0.03 H \nATOM 2220 HG2 ARG A 154 9.909 10.116 44.453 1.00 0.03 H \nATOM 2221 HG3 ARG A 154 8.708 11.328 43.892 1.00 0.03 H \nATOM 2222 HD2 ARG A 154 9.000 9.897 42.072 1.00 0.07 H \nATOM 2223 HD3 ARG A 154 10.007 11.334 41.684 1.00 0.07 H \nATOM 2224 HE ARG A 154 11.984 9.982 42.460 1.00 0.35 H \nATOM 2225 HH12 ARG A 154 9.850 6.859 40.977 1.00 0.45 H \nATOM 2226 HH11 ARG A 154 8.998 8.357 41.440 1.00 0.45 H \nATOM 2227 HH22 ARG A 154 12.118 6.725 41.175 1.00 0.45 H \nATOM 2228 HH21 ARG A 154 13.048 8.115 41.795 1.00 0.45 H \nATOM 2229 H ARG A 154 9.059 12.967 46.321 1.00 0.27 H \nATOM 2230 N LEU A 155 13.038 13.019 46.309 1.00 -0.42 N \nATOM 2231 CA LEU A 155 14.009 14.025 46.666 1.00 -0.05 C \nATOM 2232 C LEU A 155 14.260 14.949 45.474 1.00 0.60 C \nATOM 2233 O LEU A 155 14.660 14.499 44.391 1.00 -0.57 O \nATOM 2234 CB LEU A 155 15.307 13.340 47.094 1.00 -0.11 C \nATOM 2235 CG LEU A 155 16.449 14.256 47.522 1.00 0.35 C \nATOM 2236 CD1 LEU A 155 15.959 15.239 48.579 1.00 -0.41 C \nATOM 2237 CD2 LEU A 155 17.586 13.400 48.061 1.00 -0.41 C \nATOM 2238 HA LEU A 155 13.622 14.621 47.506 1.00 0.09 H \nATOM 2239 HB2 LEU A 155 15.073 12.679 47.941 1.00 0.05 H \nATOM 2240 HB3 LEU A 155 15.662 12.737 46.246 1.00 0.05 H \nATOM 2241 HG LEU A 155 16.807 14.822 46.649 1.00 -0.04 H \nATOM 2242 HD21 LEU A 155 17.926 12.706 47.278 1.00 0.10 H \nATOM 2243 HD22 LEU A 155 18.421 14.048 48.364 1.00 0.10 H \nATOM 2244 HD23 LEU A 155 17.233 12.827 48.931 1.00 0.10 H \nATOM 2245 HD11 LEU A 155 15.583 14.683 49.451 1.00 0.10 H \nATOM 2246 HD12 LEU A 155 16.791 15.889 48.889 1.00 0.10 H \nATOM 2247 HD13 LEU A 155 15.150 15.855 48.160 1.00 0.10 H \nATOM 2248 H LEU A 155 13.327 12.063 46.264 1.00 0.27 H \nATOM 2249 N LYS A 156 14.023 16.244 45.675 1.00 -0.35 N \nATOM 2250 CA LYS A 156 14.231 17.219 44.614 1.00 -0.24 C \nATOM 2251 C LYS A 156 15.361 18.186 44.944 1.00 0.73 C \nATOM 2252 O LYS A 156 15.708 18.368 46.107 1.00 -0.59 O \nATOM 2253 CB LYS A 156 12.938 18.003 44.354 1.00 -0.01 C \nATOM 2254 CG LYS A 156 11.774 17.134 43.869 1.00 0.02 C \nATOM 2255 CD LYS A 156 10.499 17.937 43.719 1.00 -0.05 C \nATOM 2256 CE LYS A 156 10.601 18.883 42.553 1.00 -0.01 C \nATOM 2257 NZ LYS A 156 9.374 19.719 42.469 1.00 -0.39 N \nATOM 2258 HA LYS A 156 14.501 16.675 43.697 1.00 0.14 H \nATOM 2259 HB2 LYS A 156 12.637 18.495 45.291 1.00 0.04 H \nATOM 2260 HB3 LYS A 156 13.143 18.766 43.589 1.00 0.04 H \nATOM 2261 HG2 LYS A 156 12.037 16.698 42.894 1.00 0.01 H \nATOM 2262 HG3 LYS A 156 11.604 16.328 44.598 1.00 0.01 H \nATOM 2263 HD2 LYS A 156 9.656 17.249 43.554 1.00 0.06 H \nATOM 2264 HD3 LYS A 156 10.326 18.515 44.639 1.00 0.06 H \nATOM 2265 HE2 LYS A 156 11.477 19.534 42.687 1.00 0.11 H \nATOM 2266 HE3 LYS A 156 10.713 18.305 41.624 1.00 0.11 H \nATOM 2267 HZ1 LYS A 156 9.265 20.243 43.323 1.00 0.34 H \nATOM 2268 HZ2 LYS A 156 9.454 20.356 41.692 1.00 0.34 H \nATOM 2269 HZ3 LYS A 156 8.571 19.125 42.335 1.00 0.34 H \nATOM 2270 H LYS A 156 13.697 16.552 46.569 1.00 0.27 H \nATOM 2271 N MET A 157 15.957 18.772 43.912 1.00 -0.42 N \nATOM 2272 CA MET A 157 17.017 19.752 44.099 1.00 -0.02 C \nATOM 2273 C MET A 157 16.658 20.927 43.199 1.00 0.60 C \nATOM 2274 O MET A 157 16.019 20.754 42.161 1.00 -0.57 O \nATOM 2275 CB MET A 157 18.384 19.190 43.712 1.00 0.03 C \nATOM 2276 CG MET A 157 18.494 18.759 42.275 1.00 0.00 C \nATOM 2277 SD MET A 157 20.203 18.447 41.813 1.00 -0.27 S \nATOM 2278 CE MET A 157 20.446 19.814 40.668 1.00 -0.05 C \nATOM 2279 HA MET A 157 17.047 20.074 45.150 1.00 0.09 H \nATOM 2280 HB2 MET A 157 19.140 19.967 43.897 1.00 0.02 H \nATOM 2281 HB3 MET A 157 18.591 18.318 44.350 1.00 0.02 H \nATOM 2282 HG2 MET A 157 17.911 17.837 42.132 1.00 0.04 H \nATOM 2283 HG3 MET A 157 18.088 19.553 41.631 1.00 0.04 H \nATOM 2284 HE1 MET A 157 20.275 20.766 41.192 1.00 0.07 H \nATOM 2285 HE2 MET A 157 21.475 19.789 40.280 1.00 0.07 H \nATOM 2286 HE3 MET A 157 19.736 19.723 39.833 1.00 0.07 H \nATOM 2287 H MET A 157 15.671 18.534 42.984 1.00 0.27 H \nATOM 2288 N LEU A 158 17.058 22.121 43.603 1.00 -0.42 N \nATOM 2289 CA LEU A 158 16.744 23.301 42.837 1.00 -0.05 C \nATOM 2290 C LEU A 158 17.851 24.325 42.933 1.00 0.60 C \nATOM 2291 O LEU A 158 18.328 24.640 44.020 1.00 -0.57 O \nATOM 2292 CB LEU A 158 15.446 23.909 43.347 1.00 -0.11 C \nATOM 2293 CG LEU A 158 15.094 25.272 42.768 1.00 0.35 C \nATOM 2294 CD1 LEU A 158 14.710 25.150 41.298 1.00 -0.41 C \nATOM 2295 CD2 LEU A 158 13.962 25.838 43.582 1.00 -0.41 C \nATOM 2296 HA LEU A 158 16.617 23.015 41.783 1.00 0.09 H \nATOM 2297 HB2 LEU A 158 14.628 23.215 43.105 1.00 0.05 H \nATOM 2298 HB3 LEU A 158 15.526 24.014 44.439 1.00 0.05 H \nATOM 2299 HG LEU A 158 15.966 25.938 42.849 1.00 -0.04 H \nATOM 2300 HD21 LEU A 158 14.275 25.929 44.632 1.00 0.10 H \nATOM 2301 HD22 LEU A 158 13.691 26.831 43.193 1.00 0.10 H \nATOM 2302 HD23 LEU A 158 13.092 25.168 43.516 1.00 0.10 H \nATOM 2303 HD11 LEU A 158 13.844 24.478 41.200 1.00 0.10 H \nATOM 2304 HD12 LEU A 158 14.450 26.143 40.903 1.00 0.10 H \nATOM 2305 HD13 LEU A 158 15.558 24.740 40.730 1.00 0.10 H \nATOM 2306 H LEU A 158 17.584 22.206 44.449 1.00 0.27 H \nATOM 2307 N GLU A 159 18.266 24.836 41.783 1.00 -0.52 N \nATOM 2308 CA GLU A 159 19.304 25.846 41.740 1.00 0.04 C \nATOM 2309 C GLU A 159 18.624 27.176 42.039 1.00 0.54 C \nATOM 2310 O GLU A 159 17.703 27.579 41.327 1.00 -0.58 O \nATOM 2311 CB GLU A 159 19.959 25.831 40.358 1.00 0.06 C \nATOM 2312 CG GLU A 159 21.054 26.850 40.156 1.00 0.01 C \nATOM 2313 CD GLU A 159 22.046 26.442 39.066 1.00 0.81 C \nATOM 2314 OE1 GLU A 159 21.634 25.788 38.080 1.00 -0.82 O \nATOM 2315 OE2 GLU A 159 23.243 26.789 39.193 1.00 -0.82 O \nATOM 2316 HA GLU A 159 20.068 25.641 42.504 1.00 0.11 H \nATOM 2317 HB2 GLU A 159 20.390 24.832 40.196 1.00 -0.02 H \nATOM 2318 HB3 GLU A 159 19.176 26.019 39.608 1.00 -0.02 H \nATOM 2319 HG2 GLU A 159 20.595 27.809 39.873 1.00 -0.04 H \nATOM 2320 HG3 GLU A 159 21.601 26.971 41.103 1.00 -0.04 H \nATOM 2321 H GLU A 159 17.855 24.518 40.928 1.00 0.29 H \nATOM 2322 N VAL A 160 19.046 27.829 43.122 1.00 -0.42 N \nATOM 2323 CA VAL A 160 18.471 29.116 43.522 1.00 -0.09 C \nATOM 2324 C VAL A 160 19.499 30.247 43.538 1.00 0.60 C \nATOM 2325 O VAL A 160 20.556 30.144 44.164 1.00 -0.57 O \nATOM 2326 CB VAL A 160 17.788 29.050 44.928 1.00 0.30 C \nATOM 2327 CG1 VAL A 160 16.468 28.315 44.831 1.00 -0.32 C \nATOM 2328 CG2 VAL A 160 18.700 28.368 45.933 1.00 -0.32 C \nATOM 2329 HA VAL A 160 17.699 29.371 42.781 1.00 0.10 H \nATOM 2330 HB VAL A 160 17.594 30.077 45.272 1.00 -0.03 H \nATOM 2331 HG11 VAL A 160 16.643 27.295 44.457 1.00 0.08 H \nATOM 2332 HG12 VAL A 160 16.002 28.266 45.826 1.00 0.08 H \nATOM 2333 HG13 VAL A 160 15.800 28.850 44.140 1.00 0.08 H \nATOM 2334 HG21 VAL A 160 19.643 28.928 46.011 1.00 0.08 H \nATOM 2335 HG22 VAL A 160 18.207 28.341 46.916 1.00 0.08 H \nATOM 2336 HG23 VAL A 160 18.910 27.341 45.599 1.00 0.08 H \nATOM 2337 H VAL A 160 19.775 27.429 43.677 1.00 0.27 H \nATOM 2338 N PRO A 161 19.199 31.345 42.832 1.00 -0.25 N \nATOM 2339 CA PRO A 161 20.105 32.493 42.774 1.00 -0.03 C \nATOM 2340 C PRO A 161 20.306 33.140 44.136 1.00 0.59 C \nATOM 2341 O PRO A 161 19.393 33.146 44.972 1.00 -0.57 O \nATOM 2342 CB PRO A 161 19.391 33.456 41.819 1.00 -0.01 C \nATOM 2343 CG PRO A 161 18.553 32.558 40.963 1.00 0.02 C \nATOM 2344 CD PRO A 161 18.037 31.542 41.945 1.00 0.02 C \nATOM 2345 HA PRO A 161 21.083 32.193 42.370 1.00 0.06 H \nATOM 2346 HD3 PRO A 161 17.758 30.606 41.440 1.00 0.04 H \nATOM 2347 HD2 PRO A 161 17.172 31.930 42.502 1.00 0.04 H \nATOM 2348 HG3 PRO A 161 19.159 32.079 40.180 1.00 0.02 H \nATOM 2349 HG2 PRO A 161 17.726 33.114 40.498 1.00 0.02 H \nATOM 2350 HB2 PRO A 161 18.761 34.165 42.376 1.00 0.03 H \nATOM 2351 HB3 PRO A 161 20.118 34.012 41.209 1.00 0.03 H \nATOM 2352 N TYR A 162 21.506 33.666 44.371 1.00 -0.42 N \nATOM 2353 CA TYR A 162 21.750 34.387 45.612 1.00 -0.00 C \nATOM 2354 C TYR A 162 21.032 35.706 45.334 1.00 0.60 C \nATOM 2355 O TYR A 162 21.125 36.248 44.229 1.00 -0.57 O \nATOM 2356 CB TYR A 162 23.249 34.607 45.832 1.00 -0.02 C \nATOM 2357 CG TYR A 162 23.926 33.450 46.549 1.00 -0.00 C \nATOM 2358 CD1 TYR A 162 23.697 33.216 47.908 1.00 -0.19 C \nATOM 2359 CD2 TYR A 162 24.780 32.576 45.866 1.00 -0.19 C \nATOM 2360 CE1 TYR A 162 24.301 32.143 48.567 1.00 -0.23 C \nATOM 2361 CE2 TYR A 162 25.387 31.495 46.521 1.00 -0.23 C \nATOM 2362 CZ TYR A 162 25.138 31.292 47.868 1.00 0.32 C \nATOM 2363 OH TYR A 162 25.722 30.236 48.511 1.00 -0.56 O \nATOM 2364 HA TYR A 162 21.319 33.864 46.479 1.00 0.09 H \nATOM 2365 HB3 TYR A 162 23.730 34.740 44.852 1.00 0.03 H \nATOM 2366 HB2 TYR A 162 23.384 35.518 46.434 1.00 0.03 H \nATOM 2367 HD2 TYR A 162 24.975 32.738 44.812 1.00 0.17 H \nATOM 2368 HE2 TYR A 162 26.044 30.825 45.979 1.00 0.17 H \nATOM 2369 HE1 TYR A 162 24.115 31.978 49.622 1.00 0.17 H \nATOM 2370 HD1 TYR A 162 23.040 33.878 48.460 1.00 0.17 H \nATOM 2371 HH TYR A 162 25.454 30.233 49.422 1.00 0.40 H \nATOM 2372 H TYR A 162 22.238 33.566 43.697 1.00 0.27 H \nATOM 2373 N VAL A 163 20.288 36.200 46.315 1.00 -0.42 N \nATOM 2374 CA VAL A 163 19.547 37.437 46.143 1.00 -0.09 C \nATOM 2375 C VAL A 163 20.216 38.593 46.867 1.00 0.60 C \nATOM 2376 O VAL A 163 20.733 38.432 47.976 1.00 -0.57 O \nATOM 2377 CB VAL A 163 18.112 37.281 46.665 1.00 0.30 C \nATOM 2378 CG1 VAL A 163 17.412 38.635 46.717 1.00 -0.32 C \nATOM 2379 CG2 VAL A 163 17.359 36.316 45.770 1.00 -0.32 C \nATOM 2380 HA VAL A 163 19.510 37.671 45.069 1.00 0.10 H \nATOM 2381 HB VAL A 163 18.147 36.866 47.683 1.00 -0.03 H \nATOM 2382 HG11 VAL A 163 17.388 39.075 45.709 1.00 0.08 H \nATOM 2383 HG12 VAL A 163 16.383 38.502 47.083 1.00 0.08 H \nATOM 2384 HG13 VAL A 163 17.959 39.305 47.396 1.00 0.08 H \nATOM 2385 HG21 VAL A 163 17.869 35.342 45.770 1.00 0.08 H \nATOM 2386 HG22 VAL A 163 16.333 36.192 46.146 1.00 0.08 H \nATOM 2387 HG23 VAL A 163 17.329 36.714 44.745 1.00 0.08 H \nATOM 2388 H VAL A 163 20.237 35.713 47.187 1.00 0.27 H \nATOM 2389 N ASP A 164 20.203 39.759 46.230 1.00 -0.52 N \nATOM 2390 CA ASP A 164 20.792 40.949 46.817 1.00 0.04 C \nATOM 2391 C ASP A 164 20.183 41.172 48.196 1.00 0.54 C \nATOM 2392 O ASP A 164 18.956 41.186 48.359 1.00 -0.58 O \nATOM 2393 CB ASP A 164 20.530 42.154 45.927 1.00 -0.03 C \nATOM 2394 CG ASP A 164 21.014 43.435 46.550 1.00 0.80 C \nATOM 2395 OD1 ASP A 164 22.242 43.583 46.724 1.00 -0.80 O \nATOM 2396 OD2 ASP A 164 20.165 44.286 46.877 1.00 -0.80 O \nATOM 2397 HA ASP A 164 21.878 40.806 46.918 1.00 0.09 H \nATOM 2398 HB2 ASP A 164 21.050 42.007 44.969 1.00 -0.01 H \nATOM 2399 HB3 ASP A 164 19.448 42.234 45.748 1.00 -0.01 H \nATOM 2400 H ASP A 164 19.778 39.818 45.327 1.00 0.29 H \nATOM 2401 N ARG A 165 21.051 41.349 49.186 1.00 -0.35 N \nATOM 2402 CA ARG A 165 20.622 41.535 50.561 1.00 -0.26 C \nATOM 2403 C ARG A 165 19.652 42.715 50.763 1.00 0.73 C \nATOM 2404 O ARG A 165 18.663 42.591 51.490 1.00 -0.59 O \nATOM 2405 CB ARG A 165 21.853 41.676 51.459 1.00 -0.00 C \nATOM 2406 CG ARG A 165 21.597 41.230 52.861 1.00 0.04 C \nATOM 2407 CD ARG A 165 22.824 41.301 53.740 1.00 0.05 C \nATOM 2408 NE ARG A 165 22.438 40.910 55.089 1.00 -0.53 N \nATOM 2409 CZ ARG A 165 22.164 39.658 55.456 1.00 0.81 C \nATOM 2410 NH1 ARG A 165 22.249 38.658 54.583 1.00 -0.86 N \nATOM 2411 NH2 ARG A 165 21.757 39.410 56.693 1.00 -0.86 N \nATOM 2412 HA ARG A 165 20.086 40.623 50.863 1.00 0.16 H \nATOM 2413 HB2 ARG A 165 22.667 41.067 51.039 1.00 0.03 H \nATOM 2414 HB3 ARG A 165 22.157 42.733 51.476 1.00 0.03 H \nATOM 2415 HG2 ARG A 165 20.817 41.873 53.296 1.00 0.03 H \nATOM 2416 HG3 ARG A 165 21.243 40.189 52.838 1.00 0.03 H \nATOM 2417 HD2 ARG A 165 23.595 40.615 53.359 1.00 0.07 H \nATOM 2418 HD3 ARG A 165 23.218 42.328 53.748 1.00 0.07 H \nATOM 2419 HE ARG A 165 22.373 41.648 55.805 1.00 0.35 H \nATOM 2420 HH12 ARG A 165 22.034 37.695 54.880 1.00 0.45 H \nATOM 2421 HH11 ARG A 165 22.529 38.846 53.610 1.00 0.45 H \nATOM 2422 HH22 ARG A 165 21.544 38.444 56.981 1.00 0.45 H \nATOM 2423 HH21 ARG A 165 21.654 40.183 57.366 1.00 0.45 H \nATOM 2424 H ARG A 165 22.029 41.354 48.978 1.00 0.27 H \nATOM 2425 N ASN A 166 19.930 43.853 50.130 1.00 -0.42 N \nATOM 2426 CA ASN A 166 19.043 45.014 50.243 1.00 0.01 C \nATOM 2427 C ASN A 166 17.674 44.639 49.685 1.00 0.60 C \nATOM 2428 O ASN A 166 16.658 44.730 50.371 1.00 -0.57 O \nATOM 2429 CB ASN A 166 19.588 46.198 49.439 1.00 -0.20 C \nATOM 2430 CG ASN A 166 18.599 47.365 49.371 1.00 0.71 C \nATOM 2431 OD1 ASN A 166 18.462 48.030 48.336 1.00 -0.59 O \nATOM 2432 ND2 ASN A 166 17.912 47.621 50.482 1.00 -0.92 N \nATOM 2433 HA ASN A 166 18.950 45.301 51.301 1.00 0.10 H \nATOM 2434 HB2 ASN A 166 20.516 46.549 49.913 1.00 0.08 H \nATOM 2435 HB3 ASN A 166 19.805 45.859 48.415 1.00 0.08 H \nATOM 2436 HD22 ASN A 166 17.251 48.371 50.499 1.00 0.42 H \nATOM 2437 HD21 ASN A 166 18.057 47.063 51.299 1.00 0.42 H \nATOM 2438 H ASN A 166 20.756 43.916 49.570 1.00 0.27 H \nATOM 2439 N SER A 167 17.672 44.216 48.426 1.00 -0.42 N \nATOM 2440 CA SER A 167 16.459 43.819 47.729 1.00 -0.02 C \nATOM 2441 C SER A 167 15.606 42.917 48.595 1.00 0.60 C \nATOM 2442 O SER A 167 14.406 43.145 48.773 1.00 -0.57 O \nATOM 2443 CB SER A 167 16.802 43.047 46.457 1.00 0.21 C \nATOM 2444 OG SER A 167 17.731 43.741 45.654 1.00 -0.65 O \nATOM 2445 HA SER A 167 15.888 44.722 47.468 1.00 0.08 H \nATOM 2446 HB2 SER A 167 17.231 42.074 46.737 1.00 0.04 H \nATOM 2447 HB3 SER A 167 15.880 42.888 45.878 1.00 0.04 H \nATOM 2448 HG SER A 167 17.919 43.231 44.875 1.00 0.43 H \nATOM 2449 H SER A 167 18.542 44.168 47.936 1.00 0.27 H \nATOM 2450 N CYS A 168 16.236 41.874 49.119 1.00 -0.42 N \nATOM 2451 CA CYS A 168 15.537 40.903 49.937 1.00 0.02 C \nATOM 2452 C CYS A 168 15.002 41.488 51.235 1.00 0.60 C \nATOM 2453 O CYS A 168 13.924 41.110 51.693 1.00 -0.57 O \nATOM 2454 CB CYS A 168 16.465 39.744 50.233 1.00 -0.12 C \nATOM 2455 SG CYS A 168 17.440 39.933 51.735 1.00 -0.31 S \nATOM 2456 HA CYS A 168 14.680 40.527 49.359 1.00 0.11 H \nATOM 2457 HB2 CYS A 168 15.856 38.833 50.331 1.00 0.11 H \nATOM 2458 HB3 CYS A 168 17.158 39.633 49.386 1.00 0.11 H \nATOM 2459 HG CYS A 168 18.028 39.123 51.858 1.00 0.19 H \nATOM 2460 H CYS A 168 17.214 41.755 48.946 1.00 0.27 H \nATOM 2461 N LYS A 169 15.752 42.402 51.843 1.00 -0.35 N \nATOM 2462 CA LYS A 169 15.284 43.020 53.077 1.00 -0.24 C \nATOM 2463 C LYS A 169 14.059 43.874 52.781 1.00 0.73 C \nATOM 2464 O LYS A 169 13.152 43.984 53.604 1.00 -0.59 O \nATOM 2465 CB LYS A 169 16.380 43.880 53.698 1.00 -0.01 C \nATOM 2466 CG LYS A 169 17.415 43.077 54.453 1.00 0.02 C \nATOM 2467 CD LYS A 169 18.379 43.983 55.170 1.00 -0.05 C \nATOM 2468 CE LYS A 169 19.422 43.167 55.880 1.00 -0.01 C \nATOM 2469 NZ LYS A 169 20.310 44.028 56.699 1.00 -0.39 N \nATOM 2470 HA LYS A 169 15.007 42.229 53.790 1.00 0.14 H \nATOM 2471 HB2 LYS A 169 16.886 44.434 52.894 1.00 0.04 H \nATOM 2472 HB3 LYS A 169 15.913 44.591 54.395 1.00 0.04 H \nATOM 2473 HG2 LYS A 169 16.907 42.436 55.189 1.00 0.01 H \nATOM 2474 HG3 LYS A 169 17.972 42.449 53.742 1.00 0.01 H \nATOM 2475 HD2 LYS A 169 18.869 44.644 54.440 1.00 0.06 H \nATOM 2476 HD3 LYS A 169 17.830 44.591 55.904 1.00 0.06 H \nATOM 2477 HE2 LYS A 169 18.923 42.439 56.536 1.00 0.11 H \nATOM 2478 HE3 LYS A 169 20.029 42.632 55.134 1.00 0.11 H \nATOM 2479 HZ1 LYS A 169 19.760 44.525 57.382 1.00 0.34 H \nATOM 2480 HZ2 LYS A 169 20.992 43.455 57.170 1.00 0.34 H \nATOM 2481 HZ3 LYS A 169 20.781 44.689 56.102 1.00 0.34 H \nATOM 2482 H LYS A 169 16.635 42.665 51.454 1.00 0.27 H \nATOM 2483 N LEU A 170 14.039 44.479 51.599 1.00 -0.42 N \nATOM 2484 CA LEU A 170 12.912 45.310 51.205 1.00 -0.05 C \nATOM 2485 C LEU A 170 11.696 44.436 50.935 1.00 0.60 C \nATOM 2486 O LEU A 170 10.563 44.824 51.214 1.00 -0.57 O \nATOM 2487 CB LEU A 170 13.251 46.115 49.944 1.00 -0.11 C \nATOM 2488 CG LEU A 170 14.140 47.346 50.137 1.00 0.35 C \nATOM 2489 CD1 LEU A 170 14.511 47.931 48.797 1.00 -0.41 C \nATOM 2490 CD2 LEU A 170 13.402 48.381 50.969 1.00 -0.41 C \nATOM 2491 HA LEU A 170 12.680 46.007 52.023 1.00 0.09 H \nATOM 2492 HB2 LEU A 170 13.764 45.439 49.244 1.00 0.05 H \nATOM 2493 HB3 LEU A 170 12.304 46.454 49.499 1.00 0.05 H \nATOM 2494 HG LEU A 170 15.058 47.048 50.665 1.00 -0.04 H \nATOM 2495 HD21 LEU A 170 13.144 47.949 51.947 1.00 0.10 H \nATOM 2496 HD22 LEU A 170 14.046 49.261 51.115 1.00 0.10 H \nATOM 2497 HD23 LEU A 170 12.482 48.683 50.447 1.00 0.10 H \nATOM 2498 HD11 LEU A 170 13.597 48.216 48.256 1.00 0.10 H \nATOM 2499 HD12 LEU A 170 15.141 48.820 48.947 1.00 0.10 H \nATOM 2500 HD13 LEU A 170 15.066 47.183 48.211 1.00 0.10 H \nATOM 2501 H LEU A 170 14.809 44.362 50.972 1.00 0.27 H \nATOM 2502 N SER A 171 11.950 43.246 50.402 1.00 -0.42 N \nATOM 2503 CA SER A 171 10.893 42.309 50.060 1.00 -0.02 C \nATOM 2504 C SER A 171 10.279 41.588 51.256 1.00 0.60 C \nATOM 2505 O SER A 171 9.198 40.999 51.142 1.00 -0.57 O \nATOM 2506 CB SER A 171 11.426 41.254 49.097 1.00 0.21 C \nATOM 2507 OG SER A 171 12.223 40.313 49.796 1.00 -0.65 O \nATOM 2508 HA SER A 171 10.095 42.877 49.560 1.00 0.08 H \nATOM 2509 HB2 SER A 171 10.580 40.734 48.623 1.00 0.04 H \nATOM 2510 HB3 SER A 171 12.036 41.743 48.323 1.00 0.04 H \nATOM 2511 HG SER A 171 12.550 39.661 49.187 1.00 0.43 H \nATOM 2512 H SER A 171 12.900 42.986 50.230 1.00 0.27 H \nATOM 2513 N SER A 172 10.954 41.627 52.399 1.00 -0.42 N \nATOM 2514 CA SER A 172 10.449 40.918 53.567 1.00 -0.02 C \nATOM 2515 C SER A 172 9.570 41.703 54.538 1.00 0.60 C \nATOM 2516 O SER A 172 9.842 42.858 54.868 1.00 -0.57 O \nATOM 2517 CB SER A 172 11.614 40.292 54.339 1.00 0.21 C \nATOM 2518 OG SER A 172 11.125 39.452 55.374 1.00 -0.65 O \nATOM 2519 HA SER A 172 9.825 40.099 53.180 1.00 0.08 H \nATOM 2520 HB2 SER A 172 12.229 39.696 53.648 1.00 0.04 H \nATOM 2521 HB3 SER A 172 12.228 41.091 54.780 1.00 0.04 H \nATOM 2522 HG SER A 172 11.857 39.070 55.844 1.00 0.43 H \nATOM 2523 H SER A 172 11.809 42.143 52.458 1.00 0.27 H \nATOM 2524 N SER A 173 8.508 41.042 54.990 1.00 -0.42 N \nATOM 2525 CA SER A 173 7.571 41.613 55.949 1.00 -0.02 C \nATOM 2526 C SER A 173 8.179 41.420 57.331 1.00 0.60 C \nATOM 2527 O SER A 173 7.712 42.002 58.315 1.00 -0.57 O \nATOM 2528 CB SER A 173 6.229 40.876 55.899 1.00 0.21 C \nATOM 2529 OG SER A 173 5.721 40.803 54.581 1.00 -0.65 O \nATOM 2530 HA SER A 173 7.418 42.682 55.739 1.00 0.08 H \nATOM 2531 HB2 SER A 173 6.368 39.855 56.284 1.00 0.04 H \nATOM 2532 HB3 SER A 173 5.505 41.411 56.531 1.00 0.04 H \nATOM 2533 HG SER A 173 4.891 40.341 54.587 1.00 0.43 H \nATOM 2534 H SER A 173 8.345 40.113 54.657 1.00 0.27 H \nATOM 2535 N PHE A 174 9.211 40.583 57.401 1.00 -0.42 N \nATOM 2536 CA PHE A 174 9.878 40.303 58.662 1.00 -0.00 C \nATOM 2537 C PHE A 174 11.355 40.641 58.562 1.00 0.60 C \nATOM 2538 O PHE A 174 11.949 40.613 57.483 1.00 -0.57 O \nATOM 2539 CB PHE A 174 9.673 38.836 59.035 1.00 -0.03 C \nATOM 2540 CG PHE A 174 8.228 38.449 59.123 1.00 0.01 C \nATOM 2541 CD1 PHE A 174 7.459 38.818 60.227 1.00 -0.13 C \nATOM 2542 CD2 PHE A 174 7.612 37.773 58.070 1.00 -0.13 C \nATOM 2543 CE1 PHE A 174 6.093 38.524 60.276 1.00 -0.17 C \nATOM 2544 CE2 PHE A 174 6.252 37.477 58.110 1.00 -0.17 C \nATOM 2545 CZ PHE A 174 5.492 37.851 59.213 1.00 -0.11 C \nATOM 2546 HA PHE A 174 9.430 40.930 59.446 1.00 0.10 H \nATOM 2547 HB2 PHE A 174 10.158 38.210 58.272 1.00 0.03 H \nATOM 2548 HB3 PHE A 174 10.144 38.654 60.012 1.00 0.03 H \nATOM 2549 HD2 PHE A 174 8.200 37.474 57.209 1.00 0.13 H \nATOM 2550 HE2 PHE A 174 5.786 36.955 57.282 1.00 0.14 H \nATOM 2551 HZ PHE A 174 4.434 37.620 59.246 1.00 0.13 H \nATOM 2552 HE1 PHE A 174 5.504 38.818 61.137 1.00 0.14 H \nATOM 2553 HD1 PHE A 174 7.926 39.338 61.056 1.00 0.13 H \nATOM 2554 H PHE A 174 9.535 40.136 56.567 1.00 0.27 H \nATOM 2555 N ILE A 175 11.949 40.960 59.700 1.00 -0.42 N \nATOM 2556 CA ILE A 175 13.350 41.332 59.743 1.00 -0.06 C \nATOM 2557 C ILE A 175 14.331 40.225 59.375 1.00 0.60 C \nATOM 2558 O ILE A 175 14.331 39.144 59.969 1.00 -0.57 O \nATOM 2559 CB ILE A 175 13.687 41.899 61.135 1.00 0.13 C \nATOM 2560 CG1 ILE A 175 12.973 43.246 61.293 1.00 -0.04 C \nATOM 2561 CG2 ILE A 175 15.191 42.036 61.310 1.00 -0.32 C \nATOM 2562 CD1 ILE A 175 12.878 43.734 62.706 1.00 -0.07 C \nATOM 2563 HA ILE A 175 13.490 42.137 59.007 1.00 0.09 H \nATOM 2564 HB ILE A 175 13.311 41.207 61.903 1.00 0.02 H \nATOM 2565 HG12 ILE A 175 13.522 43.997 60.706 1.00 0.02 H \nATOM 2566 HG13 ILE A 175 11.953 43.143 60.895 1.00 0.02 H \nATOM 2567 HD11 ILE A 175 13.889 43.847 63.124 1.00 0.02 H \nATOM 2568 HD12 ILE A 175 12.363 44.706 62.724 1.00 0.02 H \nATOM 2569 HD13 ILE A 175 12.312 43.008 63.307 1.00 0.02 H \nATOM 2570 HG21 ILE A 175 15.590 42.709 60.537 1.00 0.09 H \nATOM 2571 HG22 ILE A 175 15.408 42.451 62.305 1.00 0.09 H \nATOM 2572 HG23 ILE A 175 15.663 41.047 61.215 1.00 0.09 H \nATOM 2573 H ILE A 175 11.421 40.944 60.549 1.00 0.27 H \nATOM 2574 N ILE A 176 15.154 40.507 58.370 1.00 -0.42 N \nATOM 2575 CA ILE A 176 16.180 39.574 57.931 1.00 -0.06 C \nATOM 2576 C ILE A 176 17.392 39.956 58.776 1.00 0.60 C \nATOM 2577 O ILE A 176 18.001 41.000 58.555 1.00 -0.57 O \nATOM 2578 CB ILE A 176 16.527 39.766 56.436 1.00 0.13 C \nATOM 2579 CG1 ILE A 176 15.281 39.545 55.569 1.00 -0.04 C \nATOM 2580 CG2 ILE A 176 17.671 38.838 56.045 1.00 -0.32 C \nATOM 2581 CD1 ILE A 176 14.639 38.181 55.710 1.00 -0.07 C \nATOM 2582 HA ILE A 176 15.871 38.534 58.113 1.00 0.09 H \nATOM 2583 HB ILE A 176 16.864 40.803 56.288 1.00 0.02 H \nATOM 2584 HG12 ILE A 176 14.534 40.304 55.844 1.00 0.02 H \nATOM 2585 HG13 ILE A 176 15.569 39.680 54.516 1.00 0.02 H \nATOM 2586 HD11 ILE A 176 14.337 38.024 56.756 1.00 0.02 H \nATOM 2587 HD12 ILE A 176 13.753 38.124 55.061 1.00 0.02 H \nATOM 2588 HD13 ILE A 176 15.360 37.404 55.416 1.00 0.02 H \nATOM 2589 HG21 ILE A 176 17.375 37.794 56.226 1.00 0.09 H \nATOM 2590 HG22 ILE A 176 17.905 38.973 54.979 1.00 0.09 H \nATOM 2591 HG23 ILE A 176 18.559 39.077 56.648 1.00 0.09 H \nATOM 2592 H ILE A 176 15.065 41.386 57.902 1.00 0.27 H \nATOM 2593 N THR A 177 17.723 39.123 59.754 1.00 -0.42 N \nATOM 2594 CA THR A 177 18.851 39.382 60.639 1.00 -0.04 C \nATOM 2595 C THR A 177 20.170 39.024 59.953 1.00 0.60 C \nATOM 2596 O THR A 177 20.168 38.542 58.823 1.00 -0.57 O \nATOM 2597 CB THR A 177 18.739 38.543 61.915 1.00 0.37 C \nATOM 2598 OG1 THR A 177 18.907 37.156 61.583 1.00 -0.68 O \nATOM 2599 CG2 THR A 177 17.372 38.736 62.546 1.00 -0.24 C \nATOM 2600 HA THR A 177 18.856 40.450 60.904 1.00 0.10 H \nATOM 2601 HB THR A 177 19.519 38.851 62.626 1.00 0.00 H \nATOM 2602 HG1 THR A 177 18.838 36.631 62.372 1.00 0.41 H \nATOM 2603 HG23 THR A 177 17.445 39.472 63.361 1.00 0.06 H \nATOM 2604 HG21 THR A 177 16.665 39.100 61.786 1.00 0.06 H \nATOM 2605 HG22 THR A 177 17.016 37.777 62.949 1.00 0.06 H \nATOM 2606 H THR A 177 17.182 38.293 59.888 1.00 0.27 H \nATOM 2607 N GLN A 178 21.287 39.262 60.642 1.00 -0.42 N \nATOM 2608 CA GLN A 178 22.614 38.983 60.100 1.00 -0.00 C \nATOM 2609 C GLN A 178 22.914 37.497 60.010 1.00 0.60 C \nATOM 2610 O GLN A 178 23.954 37.104 59.469 1.00 -0.57 O \nATOM 2611 CB GLN A 178 23.700 39.679 60.943 1.00 -0.00 C \nATOM 2612 CG GLN A 178 24.119 38.946 62.238 1.00 -0.06 C \nATOM 2613 CD GLN A 178 23.123 39.087 63.368 1.00 0.70 C \nATOM 2614 OE1 GLN A 178 22.184 39.864 63.277 1.00 -0.61 O \nATOM 2615 NE2 GLN A 178 23.334 38.347 64.446 1.00 -0.94 N \nATOM 2616 HA GLN A 178 22.651 39.396 59.081 1.00 0.09 H \nATOM 2617 HB2 GLN A 178 24.595 39.791 60.314 1.00 0.02 H \nATOM 2618 HB3 GLN A 178 23.323 40.673 61.225 1.00 0.02 H \nATOM 2619 HG2 GLN A 178 24.235 37.876 62.009 1.00 0.04 H \nATOM 2620 HG3 GLN A 178 25.083 39.356 62.572 1.00 0.04 H \nATOM 2621 HE22 GLN A 178 22.705 38.403 65.222 1.00 0.43 H \nATOM 2622 HE21 GLN A 178 24.122 37.733 64.484 1.00 0.43 H \nATOM 2623 H GLN A 178 21.213 39.645 61.563 1.00 0.27 H \nATOM 2624 N ASN A 179 21.996 36.685 60.535 1.00 -0.42 N \nATOM 2625 CA ASN A 179 22.136 35.238 60.510 1.00 0.01 C \nATOM 2626 C ASN A 179 21.299 34.606 59.399 1.00 0.60 C \nATOM 2627 O ASN A 179 21.167 33.380 59.323 1.00 -0.57 O \nATOM 2628 CB ASN A 179 21.712 34.635 61.862 1.00 -0.20 C \nATOM 2629 CG ASN A 179 22.477 35.211 63.040 1.00 0.71 C \nATOM 2630 OD1 ASN A 179 23.714 35.186 63.074 1.00 -0.59 O \nATOM 2631 ND2 ASN A 179 21.736 35.743 64.025 1.00 -0.92 N \nATOM 2632 HA ASN A 179 23.194 34.997 60.330 1.00 0.10 H \nATOM 2633 HB2 ASN A 179 20.640 34.831 62.012 1.00 0.08 H \nATOM 2634 HB3 ASN A 179 21.885 33.549 61.830 1.00 0.08 H \nATOM 2635 HD22 ASN A 179 22.182 36.138 64.828 1.00 0.42 H \nATOM 2636 HD21 ASN A 179 20.738 35.744 63.956 1.00 0.42 H \nATOM 2637 H ASN A 179 21.184 37.085 60.960 1.00 0.27 H \nATOM 2638 N MET A 180 20.724 35.446 58.547 1.00 -0.42 N \nATOM 2639 CA MET A 180 19.888 34.964 57.450 1.00 -0.02 C \nATOM 2640 C MET A 180 20.355 35.527 56.112 1.00 0.60 C \nATOM 2641 O MET A 180 21.098 36.510 56.065 1.00 -0.57 O \nATOM 2642 CB MET A 180 18.438 35.405 57.669 1.00 0.03 C \nATOM 2643 CG MET A 180 17.879 35.129 59.045 1.00 0.00 C \nATOM 2644 SD MET A 180 16.207 35.829 59.231 1.00 -0.27 S \nATOM 2645 CE MET A 180 15.890 35.470 60.946 1.00 -0.05 C \nATOM 2646 HA MET A 180 19.938 33.866 57.419 1.00 0.09 H \nATOM 2647 HB2 MET A 180 18.382 36.489 57.491 1.00 0.02 H \nATOM 2648 HB3 MET A 180 17.809 34.880 56.935 1.00 0.02 H \nATOM 2649 HG2 MET A 180 17.832 34.041 59.201 1.00 0.04 H \nATOM 2650 HG3 MET A 180 18.542 35.579 59.798 1.00 0.04 H \nATOM 2651 HE1 MET A 180 16.654 35.956 61.570 1.00 0.07 H \nATOM 2652 HE2 MET A 180 14.895 35.850 61.222 1.00 0.07 H \nATOM 2653 HE3 MET A 180 15.924 34.382 61.105 1.00 0.07 H \nATOM 2654 H MET A 180 20.866 36.430 58.658 1.00 0.27 H \nATOM 2655 N PHE A 181 19.941 34.876 55.028 1.00 -0.42 N \nATOM 2656 CA PHE A 181 20.243 35.364 53.690 1.00 -0.00 C \nATOM 2657 C PHE A 181 19.131 34.893 52.767 1.00 0.60 C \nATOM 2658 O PHE A 181 18.445 33.929 53.076 1.00 -0.57 O \nATOM 2659 CB PHE A 181 21.651 34.942 53.204 1.00 -0.03 C \nATOM 2660 CG PHE A 181 21.797 33.485 52.836 1.00 0.01 C \nATOM 2661 CD1 PHE A 181 21.379 33.007 51.586 1.00 -0.13 C \nATOM 2662 CD2 PHE A 181 22.422 32.601 53.712 1.00 -0.13 C \nATOM 2663 CE1 PHE A 181 21.590 31.671 51.226 1.00 -0.17 C \nATOM 2664 CE2 PHE A 181 22.632 31.266 53.350 1.00 -0.17 C \nATOM 2665 CZ PHE A 181 22.217 30.809 52.109 1.00 -0.11 C \nATOM 2666 HA PHE A 181 20.225 36.464 53.714 1.00 0.10 H \nATOM 2667 HB2 PHE A 181 21.898 35.543 52.317 1.00 0.03 H \nATOM 2668 HB3 PHE A 181 22.368 35.163 54.008 1.00 0.03 H \nATOM 2669 HD2 PHE A 181 22.749 32.951 54.684 1.00 0.13 H \nATOM 2670 HE2 PHE A 181 23.120 30.588 54.041 1.00 0.14 H \nATOM 2671 HZ PHE A 181 22.384 29.775 51.830 1.00 0.13 H \nATOM 2672 HE1 PHE A 181 21.263 31.312 50.257 1.00 0.14 H \nATOM 2673 HD1 PHE A 181 20.888 33.679 50.892 1.00 0.13 H \nATOM 2674 H PHE A 181 19.412 34.034 55.134 1.00 0.27 H \nATOM 2675 N CYS A 182 18.925 35.604 51.664 1.00 -0.42 N \nATOM 2676 CA CYS A 182 17.870 35.270 50.719 1.00 0.02 C \nATOM 2677 C CYS A 182 18.387 34.582 49.465 1.00 0.60 C \nATOM 2678 O CYS A 182 19.501 34.835 49.013 1.00 -0.57 O \nATOM 2679 CB CYS A 182 17.112 36.539 50.328 1.00 -0.12 C \nATOM 2680 SG CYS A 182 16.332 37.393 51.730 1.00 -0.31 S \nATOM 2681 HA CYS A 182 17.172 34.583 51.219 1.00 0.11 H \nATOM 2682 HB2 CYS A 182 17.820 37.232 49.851 1.00 0.11 H \nATOM 2683 HB3 CYS A 182 16.326 36.265 49.609 1.00 0.11 H \nATOM 2684 HG CYS A 182 15.853 38.216 51.398 1.00 0.19 H \nATOM 2685 H CYS A 182 19.512 36.392 51.478 1.00 0.27 H \nATOM 2686 N ALA A 183 17.560 33.705 48.908 1.00 -0.42 N \nATOM 2687 CA ALA A 183 17.902 32.982 47.694 1.00 0.03 C \nATOM 2688 C ALA A 183 16.602 32.590 47.023 1.00 0.60 C \nATOM 2689 O ALA A 183 15.618 32.301 47.693 1.00 -0.57 O \nATOM 2690 CB ALA A 183 18.724 31.742 48.029 1.00 -0.18 C \nATOM 2691 HA ALA A 183 18.485 33.632 47.025 1.00 0.08 H \nATOM 2692 HB1 ALA A 183 18.975 31.207 47.101 1.00 0.06 H \nATOM 2693 HB2 ALA A 183 19.650 32.043 48.540 1.00 0.06 H \nATOM 2694 HB3 ALA A 183 18.140 31.082 48.687 1.00 0.06 H \nATOM 2695 H ALA A 183 16.673 33.536 49.338 1.00 0.27 H \nATOM 2696 N GLY A 184 16.589 32.579 45.700 1.00 -0.42 N \nATOM 2697 CA GLY A 184 15.369 32.216 45.010 1.00 -0.03 C \nATOM 2698 C GLY A 184 15.063 33.157 43.860 1.00 0.60 C \nATOM 2699 O GLY A 184 15.967 33.763 43.288 1.00 -0.57 O \nATOM 2700 HA3 GLY A 184 15.475 31.195 44.614 1.00 0.07 H \nATOM 2701 HA2 GLY A 184 14.534 32.247 45.725 1.00 0.07 H \nATOM 2702 H GLY A 184 17.411 32.818 45.183 1.00 0.27 H \nATOM 2703 N TYR A 185 13.785 33.294 43.525 1.00 -0.42 N \nATOM 2704 CA TYR A 185 13.387 34.151 42.417 1.00 -0.00 C \nATOM 2705 C TYR A 185 12.310 35.148 42.813 1.00 0.60 C \nATOM 2706 O TYR A 185 11.518 34.894 43.719 1.00 -0.57 O \nATOM 2707 CB TYR A 185 12.862 33.290 41.270 1.00 -0.02 C \nATOM 2708 CG TYR A 185 13.871 32.336 40.677 1.00 -0.00 C \nATOM 2709 CD1 TYR A 185 14.736 32.748 39.660 1.00 -0.19 C \nATOM 2710 CD2 TYR A 185 13.950 31.011 41.117 1.00 -0.19 C \nATOM 2711 CE1 TYR A 185 15.656 31.861 39.091 1.00 -0.23 C \nATOM 2712 CE2 TYR A 185 14.866 30.115 40.555 1.00 -0.23 C \nATOM 2713 CZ TYR A 185 15.714 30.547 39.544 1.00 0.32 C \nATOM 2714 OH TYR A 185 16.618 29.670 38.992 1.00 -0.56 O \nATOM 2715 HA TYR A 185 14.271 34.709 42.074 1.00 0.09 H \nATOM 2716 HB3 TYR A 185 12.014 32.699 41.647 1.00 0.03 H \nATOM 2717 HB2 TYR A 185 12.515 33.961 40.470 1.00 0.03 H \nATOM 2718 HD2 TYR A 185 13.290 30.672 41.907 1.00 0.17 H \nATOM 2719 HE2 TYR A 185 14.913 29.091 40.906 1.00 0.17 H \nATOM 2720 HE1 TYR A 185 16.320 32.196 38.302 1.00 0.17 H \nATOM 2721 HD1 TYR A 185 14.693 33.772 39.306 1.00 0.17 H \nATOM 2722 HH TYR A 185 17.121 30.115 38.320 1.00 0.40 H \nATOM 2723 H TYR A 185 13.085 32.801 44.042 1.00 0.27 H \nATOM 2724 N ASP A 185A 12.276 36.280 42.116 1.00 -0.52 N \nATOM 2725 CA ASP A 185A 11.277 37.303 42.379 1.00 0.04 C \nATOM 2726 C ASP A 185A 9.925 36.719 41.998 1.00 0.54 C \nATOM 2727 O ASP A 185A 9.031 36.583 42.839 1.00 -0.58 O \nATOM 2728 CB ASP A 185A 11.546 38.540 41.516 1.00 -0.03 C \nATOM 2729 CG ASP A 185A 10.609 39.684 41.827 1.00 0.80 C \nATOM 2730 OD1 ASP A 185A 9.394 39.442 41.963 1.00 -0.80 O \nATOM 2731 OD2 ASP A 185A 11.081 40.834 41.923 1.00 -0.80 O \nATOM 2732 HA ASP A 185A 11.289 37.581 43.443 1.00 0.09 H \nATOM 2733 HB2 ASP A 185A 12.579 38.874 41.692 1.00 -0.01 H \nATOM 2734 HB3 ASP A 185A 11.425 38.264 40.458 1.00 -0.01 H \nATOM 2735 H ASP A 185A 12.952 36.431 41.395 1.00 0.29 H \nATOM 2736 N THR A 185B 9.801 36.355 40.722 1.00 -0.42 N \nATOM 2737 CA THR A 185B 8.561 35.813 40.169 1.00 -0.04 C \nATOM 2738 C THR A 185B 8.575 34.363 39.688 1.00 0.60 C \nATOM 2739 O THR A 185B 7.536 33.698 39.719 1.00 -0.57 O \nATOM 2740 CB THR A 185B 8.081 36.667 38.983 1.00 0.37 C \nATOM 2741 OG1 THR A 185B 9.127 36.753 38.006 1.00 -0.68 O \nATOM 2742 CG2 THR A 185B 7.713 38.061 39.450 1.00 -0.24 C \nATOM 2743 HA THR A 185B 7.811 35.879 40.971 1.00 0.10 H \nATOM 2744 HB THR A 185B 7.197 36.193 38.531 1.00 0.00 H \nATOM 2745 HG1 THR A 185B 8.833 37.280 37.273 1.00 0.41 H \nATOM 2746 HG23 THR A 185B 6.623 38.127 39.585 1.00 0.06 H \nATOM 2747 HG21 THR A 185B 8.214 38.272 40.406 1.00 0.06 H \nATOM 2748 HG22 THR A 185B 8.034 38.796 38.698 1.00 0.06 H \nATOM 2749 H THR A 185B 10.590 36.457 40.117 1.00 0.27 H \nATOM 2750 N LYS A 186 9.724 33.869 39.234 1.00 -0.35 N \nATOM 2751 CA LYS A 186 9.784 32.494 38.737 1.00 -0.24 C \nATOM 2752 C LYS A 186 9.202 31.536 39.768 1.00 0.73 C \nATOM 2753 O LYS A 186 9.431 31.698 40.968 1.00 -0.59 O \nATOM 2754 CB LYS A 186 11.218 32.089 38.401 1.00 -0.01 C \nATOM 2755 CG LYS A 186 11.303 30.795 37.624 1.00 0.02 C \nATOM 2756 CD LYS A 186 12.735 30.496 37.237 1.00 -0.05 C \nATOM 2757 CE LYS A 186 12.832 29.247 36.377 1.00 -0.01 C \nATOM 2758 NZ LYS A 186 14.254 28.924 36.053 1.00 -0.39 N \nATOM 2759 HA LYS A 186 9.181 32.431 37.819 1.00 0.14 H \nATOM 2760 HB2 LYS A 186 11.676 32.889 37.800 1.00 0.04 H \nATOM 2761 HB3 LYS A 186 11.777 31.970 39.341 1.00 0.04 H \nATOM 2762 HG2 LYS A 186 10.918 29.974 38.247 1.00 0.01 H \nATOM 2763 HG3 LYS A 186 10.693 30.880 36.713 1.00 0.01 H \nATOM 2764 HD2 LYS A 186 13.138 31.350 36.673 1.00 0.06 H \nATOM 2765 HD3 LYS A 186 13.328 30.347 38.151 1.00 0.06 H \nATOM 2766 HE2 LYS A 186 12.387 28.401 36.921 1.00 0.11 H \nATOM 2767 HE3 LYS A 186 12.279 29.412 35.440 1.00 0.11 H \nATOM 2768 HZ1 LYS A 186 14.768 28.776 36.907 1.00 0.34 H \nATOM 2769 HZ2 LYS A 186 14.289 28.088 35.491 1.00 0.34 H \nATOM 2770 HZ3 LYS A 186 14.664 29.690 35.542 1.00 0.34 H \nATOM 2771 H LYS A 186 10.547 34.437 39.232 1.00 0.27 H \nATOM 2772 N GLN A 187 8.462 30.533 39.293 1.00 -0.42 N \nATOM 2773 CA GLN A 187 7.807 29.566 40.169 1.00 -0.00 C \nATOM 2774 C GLN A 187 8.671 28.415 40.708 1.00 0.60 C \nATOM 2775 O GLN A 187 8.308 27.238 40.600 1.00 -0.57 O \nATOM 2776 CB GLN A 187 6.574 29.005 39.458 1.00 -0.00 C \nATOM 2777 CG GLN A 187 5.288 29.083 40.273 1.00 -0.06 C \nATOM 2778 CD GLN A 187 5.077 30.435 40.928 1.00 0.70 C \nATOM 2779 OE1 GLN A 187 5.330 31.482 40.327 1.00 -0.61 O \nATOM 2780 NE2 GLN A 187 4.598 30.419 42.169 1.00 -0.94 N \nATOM 2781 HA GLN A 187 7.461 30.128 41.049 1.00 0.09 H \nATOM 2782 HB2 GLN A 187 6.426 29.571 38.527 1.00 0.02 H \nATOM 2783 HB3 GLN A 187 6.766 27.949 39.218 1.00 0.02 H \nATOM 2784 HG2 GLN A 187 4.438 28.882 39.605 1.00 0.04 H \nATOM 2785 HG3 GLN A 187 5.326 28.315 41.060 1.00 0.04 H \nATOM 2786 HE22 GLN A 187 4.437 31.279 42.654 1.00 0.43 H \nATOM 2787 HE21 GLN A 187 4.399 29.547 42.617 1.00 0.43 H \nATOM 2788 H GLN A 187 8.352 30.440 38.303 1.00 0.27 H \nATOM 2789 N GLU A 188 9.811 28.770 41.291 1.00 -0.52 N \nATOM 2790 CA GLU A 188 10.714 27.800 41.884 1.00 0.04 C \nATOM 2791 C GLU A 188 11.122 28.352 43.243 1.00 0.54 C \nATOM 2792 O GLU A 188 11.402 29.547 43.379 1.00 -0.58 O \nATOM 2793 CB GLU A 188 11.934 27.602 40.998 1.00 0.06 C \nATOM 2794 CG GLU A 188 11.602 27.027 39.638 1.00 0.01 C \nATOM 2795 CD GLU A 188 12.840 26.563 38.903 1.00 0.81 C \nATOM 2796 OE1 GLU A 188 13.716 27.416 38.626 1.00 -0.82 O \nATOM 2797 OE2 GLU A 188 12.940 25.345 38.611 1.00 -0.82 O \nATOM 2798 HA GLU A 188 10.199 26.836 42.011 1.00 0.11 H \nATOM 2799 HB2 GLU A 188 12.423 28.577 40.855 1.00 -0.02 H \nATOM 2800 HB3 GLU A 188 12.627 26.916 41.507 1.00 -0.02 H \nATOM 2801 HG2 GLU A 188 10.925 26.170 39.770 1.00 -0.04 H \nATOM 2802 HG3 GLU A 188 11.101 27.801 39.038 1.00 -0.04 H \nATOM 2803 H GLU A 188 10.056 29.739 41.322 1.00 0.29 H \nATOM 2804 N ASP A 189 11.145 27.487 44.252 1.00 -0.52 N \nATOM 2805 CA ASP A 189 11.479 27.909 45.612 1.00 0.04 C \nATOM 2806 C ASP A 189 11.490 26.665 46.501 1.00 0.54 C \nATOM 2807 O ASP A 189 11.060 25.592 46.089 1.00 -0.58 O \nATOM 2808 CB ASP A 189 10.397 28.898 46.087 1.00 -0.03 C \nATOM 2809 CG ASP A 189 10.811 29.717 47.306 1.00 0.80 C \nATOM 2810 OD1 ASP A 189 12.002 29.702 47.680 1.00 -0.80 O \nATOM 2811 OD2 ASP A 189 9.931 30.394 47.880 1.00 -0.80 O \nATOM 2812 HA ASP A 189 12.466 28.394 45.632 1.00 0.09 H \nATOM 2813 HB2 ASP A 189 10.173 29.591 45.262 1.00 -0.01 H \nATOM 2814 HB3 ASP A 189 9.492 28.327 46.343 1.00 -0.01 H \nATOM 2815 H ASP A 189 10.929 26.526 44.077 1.00 0.29 H \nATOM 2816 N ALA A 190 12.023 26.796 47.706 1.00 -0.42 N \nATOM 2817 CA ALA A 190 12.001 25.686 48.645 1.00 0.03 C \nATOM 2818 C ALA A 190 10.592 25.864 49.205 1.00 0.60 C \nATOM 2819 O ALA A 190 9.885 26.794 48.807 1.00 -0.57 O \nATOM 2820 CB ALA A 190 13.050 25.882 49.744 1.00 -0.18 C \nATOM 2821 HA ALA A 190 12.141 24.713 48.152 1.00 0.08 H \nATOM 2822 HB1 ALA A 190 13.014 25.032 50.441 1.00 0.06 H \nATOM 2823 HB2 ALA A 190 14.050 25.942 49.290 1.00 0.06 H \nATOM 2824 HB3 ALA A 190 12.839 26.813 50.291 1.00 0.06 H \nATOM 2825 H ALA A 190 12.443 27.664 47.972 1.00 0.27 H \nATOM 2826 N CYS A 191 10.167 25.000 50.115 1.00 -0.42 N \nATOM 2827 CA CYS A 191 8.831 25.149 50.657 1.00 0.02 C \nATOM 2828 C CYS A 191 8.733 24.389 51.968 1.00 0.60 C \nATOM 2829 O CYS A 191 9.718 23.827 52.438 1.00 -0.57 O \nATOM 2830 CB CYS A 191 7.807 24.627 49.642 1.00 -0.12 C \nATOM 2831 SG CYS A 191 6.061 24.983 50.018 1.00 -0.31 S \nATOM 2832 HA CYS A 191 8.634 26.214 50.847 1.00 0.11 H \nATOM 2833 HB2 CYS A 191 8.040 25.078 48.666 1.00 0.11 H \nATOM 2834 HB3 CYS A 191 7.922 23.535 49.579 1.00 0.11 H \nATOM 2835 HG CYS A 191 5.476 24.599 49.293 1.00 0.19 H \nATOM 2836 H CYS A 191 10.759 24.256 50.423 1.00 0.27 H \nATOM 2837 N GLN A 192 7.544 24.392 52.562 1.00 -0.42 N \nATOM 2838 CA GLN A 192 7.292 23.694 53.821 1.00 -0.00 C \nATOM 2839 C GLN A 192 7.746 22.236 53.692 1.00 0.60 C \nATOM 2840 O GLN A 192 7.405 21.547 52.723 1.00 -0.57 O \nATOM 2841 CB GLN A 192 5.790 23.769 54.141 1.00 -0.00 C \nATOM 2842 CG GLN A 192 5.397 23.305 55.532 1.00 -0.06 C \nATOM 2843 CD GLN A 192 6.020 24.160 56.616 1.00 0.70 C \nATOM 2844 OE1 GLN A 192 5.646 25.325 56.803 1.00 -0.61 O \nATOM 2845 NE2 GLN A 192 6.992 23.592 57.332 1.00 -0.94 N \nATOM 2846 HA GLN A 192 7.859 24.178 54.629 1.00 0.09 H \nATOM 2847 HB2 GLN A 192 5.471 24.816 54.030 1.00 0.02 H \nATOM 2848 HB3 GLN A 192 5.256 23.143 53.411 1.00 0.02 H \nATOM 2849 HG2 GLN A 192 4.302 23.355 55.626 1.00 0.04 H \nATOM 2850 HG3 GLN A 192 5.729 22.265 55.666 1.00 0.04 H \nATOM 2851 HE22 GLN A 192 7.442 24.107 58.062 1.00 0.43 H \nATOM 2852 HE21 GLN A 192 7.271 22.651 57.139 1.00 0.43 H \nATOM 2853 H GLN A 192 6.793 24.891 52.131 1.00 0.27 H \nATOM 2854 N GLY A 193 8.520 21.773 54.668 1.00 -0.42 N \nATOM 2855 CA GLY A 193 9.008 20.406 54.630 1.00 -0.03 C \nATOM 2856 C GLY A 193 10.472 20.305 54.236 1.00 0.60 C \nATOM 2857 O GLY A 193 11.137 19.312 54.535 1.00 -0.57 O \nATOM 2858 HA3 GLY A 193 8.883 19.962 55.629 1.00 0.07 H \nATOM 2859 HA2 GLY A 193 8.410 19.841 53.900 1.00 0.07 H \nATOM 2860 H GLY A 193 8.767 22.369 55.432 1.00 0.27 H \nATOM 2861 N ASP A 194 10.975 21.329 53.551 1.00 -0.52 N \nATOM 2862 CA ASP A 194 12.375 21.358 53.143 1.00 0.04 C \nATOM 2863 C ASP A 194 13.186 21.994 54.267 1.00 0.54 C \nATOM 2864 O ASP A 194 14.408 21.882 54.302 1.00 -0.58 O \nATOM 2865 CB ASP A 194 12.563 22.182 51.862 1.00 -0.03 C \nATOM 2866 CG ASP A 194 11.885 21.568 50.655 1.00 0.80 C \nATOM 2867 OD1 ASP A 194 11.940 20.335 50.499 1.00 -0.80 O \nATOM 2868 OD2 ASP A 194 11.309 22.322 49.846 1.00 -0.80 O \nATOM 2869 HA ASP A 194 12.725 20.330 52.967 1.00 0.09 H \nATOM 2870 HB2 ASP A 194 12.143 23.185 52.027 1.00 -0.01 H \nATOM 2871 HB3 ASP A 194 13.640 22.265 51.654 1.00 -0.01 H \nATOM 2872 H ASP A 194 10.380 22.096 53.311 1.00 0.29 H \nATOM 2873 N SER A 195 12.494 22.666 55.183 1.00 -0.42 N \nATOM 2874 CA SER A 195 13.142 23.327 56.311 1.00 -0.02 C \nATOM 2875 C SER A 195 14.206 22.432 56.935 1.00 0.60 C \nATOM 2876 O SER A 195 14.008 21.223 57.057 1.00 -0.57 O \nATOM 2877 CB SER A 195 12.110 23.696 57.385 1.00 0.21 C \nATOM 2878 OG SER A 195 11.143 24.600 56.879 1.00 -0.65 O \nATOM 2879 HA SER A 195 13.622 24.247 55.947 1.00 0.08 H \nATOM 2880 HB2 SER A 195 11.603 22.781 57.724 1.00 0.04 H \nATOM 2881 HB3 SER A 195 12.628 24.164 58.235 1.00 0.04 H \nATOM 2882 HG SER A 195 10.518 24.811 57.563 1.00 0.43 H \nATOM 2883 H SER A 195 11.499 22.720 55.096 1.00 0.27 H \nATOM 2884 N GLY A 196 15.329 23.029 57.330 1.00 -0.42 N \nATOM 2885 CA GLY A 196 16.395 22.265 57.944 1.00 -0.03 C \nATOM 2886 C GLY A 196 17.274 21.590 56.912 1.00 0.60 C \nATOM 2887 O GLY A 196 18.386 21.169 57.226 1.00 -0.57 O \nATOM 2888 HA3 GLY A 196 17.014 22.943 58.550 1.00 0.07 H \nATOM 2889 HA2 GLY A 196 15.952 21.495 58.592 1.00 0.07 H \nATOM 2890 H GLY A 196 15.437 24.015 57.201 1.00 0.27 H \nATOM 2891 N GLY A 197 16.781 21.502 55.679 1.00 -0.42 N \nATOM 2892 CA GLY A 197 17.521 20.852 54.609 1.00 -0.03 C \nATOM 2893 C GLY A 197 18.737 21.611 54.110 1.00 0.60 C \nATOM 2894 O GLY A 197 18.959 22.757 54.507 1.00 -0.57 O \nATOM 2895 HA3 GLY A 197 17.859 19.872 54.976 1.00 0.07 H \nATOM 2896 HA2 GLY A 197 16.837 20.710 53.760 1.00 0.07 H \nATOM 2897 H GLY A 197 15.881 21.892 55.484 1.00 0.27 H \nATOM 2898 N PRO A 198 19.534 21.015 53.205 1.00 -0.25 N \nATOM 2899 CA PRO A 198 20.729 21.683 52.688 1.00 -0.03 C \nATOM 2900 C PRO A 198 20.612 22.755 51.612 1.00 0.59 C \nATOM 2901 O PRO A 198 19.743 22.698 50.744 1.00 -0.57 O \nATOM 2902 CB PRO A 198 21.581 20.519 52.185 1.00 -0.01 C \nATOM 2903 CG PRO A 198 20.584 19.564 51.690 1.00 0.02 C \nATOM 2904 CD PRO A 198 19.487 19.612 52.753 1.00 0.02 C \nATOM 2905 HA PRO A 198 21.231 22.163 53.541 1.00 0.06 H \nATOM 2906 HD3 PRO A 198 19.706 18.921 53.580 1.00 0.04 H \nATOM 2907 HD2 PRO A 198 18.505 19.367 52.321 1.00 0.04 H \nATOM 2908 HG3 PRO A 198 21.012 18.554 51.612 1.00 0.02 H \nATOM 2909 HG2 PRO A 198 20.195 19.874 50.709 1.00 0.02 H \nATOM 2910 HB2 PRO A 198 22.253 20.842 51.376 1.00 0.03 H \nATOM 2911 HB3 PRO A 198 22.174 20.082 53.002 1.00 0.03 H \nATOM 2912 N HIS A 199 21.501 23.741 51.709 1.00 -0.42 N \nATOM 2913 CA HIS A 199 21.656 24.783 50.708 1.00 0.02 C \nATOM 2914 C HIS A 199 23.172 24.678 50.570 1.00 0.60 C \nATOM 2915 O HIS A 199 23.909 24.959 51.513 1.00 -0.57 O \nATOM 2916 CB HIS A 199 21.278 26.183 51.203 1.00 -0.05 C \nATOM 2917 CG HIS A 199 21.665 27.277 50.248 1.00 -0.03 C \nATOM 2918 ND1 HIS A 199 22.979 27.600 49.975 1.00 -0.38 N \nATOM 2919 CD2 HIS A 199 20.911 28.092 49.472 1.00 0.13 C \nATOM 2920 CE1 HIS A 199 23.018 28.565 49.072 1.00 0.21 C \nATOM 2921 NE2 HIS A 199 21.776 28.881 48.750 1.00 -0.57 N \nATOM 2922 HA HIS A 199 21.116 24.555 49.777 1.00 0.09 H \nATOM 2923 HB2 HIS A 199 20.189 26.218 51.351 1.00 0.04 H \nATOM 2924 HB3 HIS A 199 21.785 26.362 52.163 1.00 0.04 H \nATOM 2925 HD2 HIS A 199 19.823 28.118 49.428 1.00 0.11 H \nATOM 2926 HE1 HIS A 199 23.919 29.021 48.664 1.00 0.14 H \nATOM 2927 HD1 HIS A 199 23.802 27.157 50.408 1.00 0.36 H \nATOM 2928 H HIS A 199 22.094 23.766 52.514 1.00 0.27 H \nATOM 2929 N VAL A 200 23.636 24.197 49.426 1.00 -0.42 N \nATOM 2930 CA VAL A 200 25.064 24.059 49.231 1.00 -0.09 C \nATOM 2931 C VAL A 200 25.482 24.842 48.011 1.00 0.60 C \nATOM 2932 O VAL A 200 24.652 25.204 47.174 1.00 -0.57 O \nATOM 2933 CB VAL A 200 25.498 22.559 49.070 1.00 0.30 C \nATOM 2934 CG1 VAL A 200 25.239 21.793 50.360 1.00 -0.32 C \nATOM 2935 CG2 VAL A 200 24.751 21.908 47.935 1.00 -0.32 C \nATOM 2936 HA VAL A 200 25.575 24.474 50.112 1.00 0.10 H \nATOM 2937 HB VAL A 200 26.575 22.527 48.849 1.00 -0.03 H \nATOM 2938 HG11 VAL A 200 24.168 21.841 50.606 1.00 0.08 H \nATOM 2939 HG12 VAL A 200 25.538 20.743 50.229 1.00 0.08 H \nATOM 2940 HG13 VAL A 200 25.824 22.242 51.177 1.00 0.08 H \nATOM 2941 HG21 VAL A 200 24.959 22.450 47.000 1.00 0.08 H \nATOM 2942 HG22 VAL A 200 25.077 20.862 47.833 1.00 0.08 H \nATOM 2943 HG23 VAL A 200 23.671 21.937 48.143 1.00 0.08 H \nATOM 2944 H VAL A 200 23.002 23.930 48.700 1.00 0.27 H \nATOM 2945 N THR A 201 26.770 25.135 47.921 1.00 -0.42 N \nATOM 2946 CA THR A 201 27.267 25.854 46.773 1.00 -0.04 C \nATOM 2947 C THR A 201 28.379 25.022 46.172 1.00 0.60 C \nATOM 2948 O THR A 201 29.286 24.563 46.868 1.00 -0.57 O \nATOM 2949 CB THR A 201 27.796 27.232 47.153 1.00 0.37 C \nATOM 2950 OG1 THR A 201 26.754 27.977 47.792 1.00 -0.68 O \nATOM 2951 CG2 THR A 201 28.244 27.984 45.905 1.00 -0.24 C \nATOM 2952 HA THR A 201 26.456 25.975 46.040 1.00 0.10 H \nATOM 2953 HB THR A 201 28.647 27.121 47.841 1.00 0.00 H \nATOM 2954 HG1 THR A 201 27.080 28.837 48.030 1.00 0.41 H \nATOM 2955 HG23 THR A 201 29.335 27.895 45.795 1.00 0.06 H \nATOM 2956 HG21 THR A 201 27.750 27.554 45.021 1.00 0.06 H \nATOM 2957 HG22 THR A 201 27.970 29.045 45.998 1.00 0.06 H \nATOM 2958 H THR A 201 27.398 24.858 48.648 1.00 0.27 H \nATOM 2959 N ARG A 202 28.292 24.818 44.870 1.00 -0.35 N \nATOM 2960 CA ARG A 202 29.276 24.033 44.166 1.00 -0.26 C \nATOM 2961 C ARG A 202 30.462 24.889 43.728 1.00 0.73 C \nATOM 2962 O ARG A 202 30.289 25.977 43.170 1.00 -0.59 O \nATOM 2963 CB ARG A 202 28.609 23.410 42.956 1.00 -0.00 C \nATOM 2964 CG ARG A 202 29.509 22.619 42.058 1.00 0.04 C \nATOM 2965 CD ARG A 202 28.788 22.406 40.759 1.00 0.05 C \nATOM 2966 NE ARG A 202 29.518 21.524 39.868 1.00 -0.53 N \nATOM 2967 CZ ARG A 202 29.157 21.276 38.615 1.00 0.81 C \nATOM 2968 NH1 ARG A 202 28.073 21.854 38.105 1.00 -0.86 N \nATOM 2969 NH2 ARG A 202 29.872 20.442 37.871 1.00 -0.86 N \nATOM 2970 HA ARG A 202 29.642 23.236 44.830 1.00 0.16 H \nATOM 2971 HB2 ARG A 202 27.814 22.739 43.315 1.00 0.03 H \nATOM 2972 HB3 ARG A 202 28.163 24.220 42.360 1.00 0.03 H \nATOM 2973 HG2 ARG A 202 30.443 23.173 41.881 1.00 0.03 H \nATOM 2974 HG3 ARG A 202 29.741 21.648 42.521 1.00 0.03 H \nATOM 2975 HD2 ARG A 202 27.803 21.963 40.968 1.00 0.07 H \nATOM 2976 HD3 ARG A 202 28.654 23.379 40.264 1.00 0.07 H \nATOM 2977 HE ARG A 202 30.366 21.063 40.229 1.00 0.35 H \nATOM 2978 HH12 ARG A 202 27.795 21.660 37.132 1.00 0.45 H \nATOM 2979 HH11 ARG A 202 27.511 22.496 38.683 1.00 0.45 H \nATOM 2980 HH22 ARG A 202 29.592 20.250 36.899 1.00 0.45 H \nATOM 2981 HH21 ARG A 202 30.707 19.987 38.266 1.00 0.45 H \nATOM 2982 H ARG A 202 27.528 25.216 44.362 1.00 0.27 H \nATOM 2983 N PHE A 203 31.667 24.397 44.002 1.00 -0.42 N \nATOM 2984 CA PHE A 203 32.888 25.088 43.599 1.00 -0.00 C \nATOM 2985 C PHE A 203 33.861 24.018 43.121 1.00 0.60 C \nATOM 2986 O PHE A 203 34.279 23.153 43.900 1.00 -0.57 O \nATOM 2987 CB PHE A 203 33.503 25.863 44.760 1.00 -0.03 C \nATOM 2988 CG PHE A 203 34.690 26.690 44.361 1.00 0.01 C \nATOM 2989 CD1 PHE A 203 34.527 27.879 43.650 1.00 -0.13 C \nATOM 2990 CD2 PHE A 203 35.978 26.264 44.663 1.00 -0.13 C \nATOM 2991 CE1 PHE A 203 35.635 28.629 43.243 1.00 -0.17 C \nATOM 2992 CE2 PHE A 203 37.087 27.001 44.263 1.00 -0.17 C \nATOM 2993 CZ PHE A 203 36.914 28.186 43.550 1.00 -0.11 C \nATOM 2994 HA PHE A 203 32.664 25.787 42.779 1.00 0.10 H \nATOM 2995 HB2 PHE A 203 32.736 26.532 45.178 1.00 0.03 H \nATOM 2996 HB3 PHE A 203 33.821 25.144 45.529 1.00 0.03 H \nATOM 2997 HD2 PHE A 203 36.120 25.344 45.218 1.00 0.13 H \nATOM 2998 HE2 PHE A 203 38.085 26.654 44.505 1.00 0.14 H \nATOM 2999 HZ PHE A 203 37.777 28.761 43.236 1.00 0.13 H \nATOM 3000 HE1 PHE A 203 35.496 29.551 42.691 1.00 0.14 H \nATOM 3001 HD1 PHE A 203 33.529 28.226 43.410 1.00 0.13 H \nATOM 3002 H PHE A 203 31.738 23.531 44.497 1.00 0.27 H \nATOM 3003 N LYS A 204 34.214 24.077 41.837 1.00 -0.35 N \nATOM 3004 CA LYS A 204 35.107 23.098 41.232 1.00 -0.24 C \nATOM 3005 C LYS A 204 34.663 21.665 41.566 1.00 0.73 C \nATOM 3006 O LYS A 204 35.432 20.850 42.078 1.00 -0.59 O \nATOM 3007 CB LYS A 204 36.554 23.337 41.678 1.00 -0.01 C \nATOM 3008 CG LYS A 204 37.110 24.687 41.247 1.00 0.02 C \nATOM 3009 CD LYS A 204 38.594 24.790 41.574 1.00 -0.05 C \nATOM 3010 CE LYS A 204 39.157 26.182 41.292 1.00 -0.01 C \nATOM 3011 NZ LYS A 204 39.043 26.572 39.867 1.00 -0.39 N \nATOM 3012 HA LYS A 204 35.061 23.223 40.140 1.00 0.14 H \nATOM 3013 HB2 LYS A 204 36.594 23.279 42.776 1.00 0.04 H \nATOM 3014 HB3 LYS A 204 37.186 22.547 41.246 1.00 0.04 H \nATOM 3015 HG2 LYS A 204 36.971 24.805 40.162 1.00 0.01 H \nATOM 3016 HG3 LYS A 204 36.568 25.485 41.775 1.00 0.01 H \nATOM 3017 HD2 LYS A 204 38.738 24.560 42.640 1.00 0.06 H \nATOM 3018 HD3 LYS A 204 39.142 24.057 40.964 1.00 0.06 H \nATOM 3019 HE2 LYS A 204 38.606 26.914 41.901 1.00 0.11 H \nATOM 3020 HE3 LYS A 204 40.220 26.195 41.575 1.00 0.11 H \nATOM 3021 HZ1 LYS A 204 38.073 26.563 39.593 1.00 0.34 H \nATOM 3022 HZ2 LYS A 204 39.419 27.499 39.741 1.00 0.34 H \nATOM 3023 HZ3 LYS A 204 39.559 25.919 39.298 1.00 0.34 H \nATOM 3024 H LYS A 204 33.854 24.818 41.270 1.00 0.27 H \nATOM 3025 N ASP A 205 33.399 21.373 41.281 1.00 -0.52 N \nATOM 3026 CA ASP A 205 32.837 20.046 41.500 1.00 0.04 C \nATOM 3027 C ASP A 205 32.804 19.532 42.935 1.00 0.54 C \nATOM 3028 O ASP A 205 32.637 18.332 43.167 1.00 -0.58 O \nATOM 3029 CB ASP A 205 33.549 19.039 40.591 1.00 -0.03 C \nATOM 3030 CG ASP A 205 33.285 19.308 39.118 1.00 0.80 C \nATOM 3031 OD1 ASP A 205 33.993 18.730 38.266 1.00 -0.80 O \nATOM 3032 OD2 ASP A 205 32.361 20.098 38.814 1.00 -0.80 O \nATOM 3033 HA ASP A 205 31.788 20.101 41.175 1.00 0.09 H \nATOM 3034 HB2 ASP A 205 34.632 19.101 40.774 1.00 -0.01 H \nATOM 3035 HB3 ASP A 205 33.193 18.027 40.836 1.00 -0.01 H \nATOM 3036 H ASP A 205 32.812 22.089 40.903 1.00 0.29 H \nATOM 3037 N THR A 206 32.960 20.432 43.897 1.00 -0.42 N \nATOM 3038 CA THR A 206 32.880 20.047 45.299 1.00 -0.04 C \nATOM 3039 C THR A 206 31.807 20.941 45.905 1.00 0.60 C \nATOM 3040 O THR A 206 31.783 22.148 45.666 1.00 -0.57 O \nATOM 3041 CB THR A 206 34.227 20.230 46.019 1.00 0.37 C \nATOM 3042 OG1 THR A 206 35.211 19.409 45.378 1.00 -0.68 O \nATOM 3043 CG2 THR A 206 34.121 19.811 47.479 1.00 -0.24 C \nATOM 3044 HA THR A 206 32.578 18.992 45.379 1.00 0.10 H \nATOM 3045 HB THR A 206 34.530 21.286 45.963 1.00 0.00 H \nATOM 3046 HG1 THR A 206 36.047 19.516 45.817 1.00 0.41 H \nATOM 3047 HG23 THR A 206 33.977 20.703 48.107 1.00 0.06 H \nATOM 3048 HG21 THR A 206 33.264 19.132 47.604 1.00 0.06 H \nATOM 3049 HG22 THR A 206 35.045 19.295 47.780 1.00 0.06 H \nATOM 3050 H THR A 206 33.135 21.387 43.656 1.00 0.27 H \nATOM 3051 N TYR A 207 30.909 20.340 46.675 1.00 -0.42 N \nATOM 3052 CA TYR A 207 29.808 21.077 47.270 1.00 -0.00 C \nATOM 3053 C TYR A 207 30.023 21.400 48.738 1.00 0.60 C \nATOM 3054 O TYR A 207 30.356 20.523 49.531 1.00 -0.57 O \nATOM 3055 CB TYR A 207 28.512 20.288 47.094 1.00 -0.02 C \nATOM 3056 CG TYR A 207 28.165 20.017 45.643 1.00 -0.00 C \nATOM 3057 CD1 TYR A 207 28.861 19.061 44.891 1.00 -0.19 C \nATOM 3058 CD2 TYR A 207 27.155 20.736 45.012 1.00 -0.19 C \nATOM 3059 CE1 TYR A 207 28.549 18.837 43.537 1.00 -0.23 C \nATOM 3060 CE2 TYR A 207 26.838 20.522 43.672 1.00 -0.23 C \nATOM 3061 CZ TYR A 207 27.534 19.577 42.940 1.00 0.32 C \nATOM 3062 OH TYR A 207 27.221 19.391 41.609 1.00 -0.56 O \nATOM 3063 HA TYR A 207 29.711 22.030 46.729 1.00 0.09 H \nATOM 3064 HB3 TYR A 207 28.617 19.324 47.613 1.00 0.03 H \nATOM 3065 HB2 TYR A 207 27.690 20.861 47.548 1.00 0.03 H \nATOM 3066 HD2 TYR A 207 26.602 21.479 45.575 1.00 0.17 H \nATOM 3067 HE2 TYR A 207 26.046 21.096 43.204 1.00 0.17 H \nATOM 3068 HE1 TYR A 207 29.094 18.095 42.965 1.00 0.17 H \nATOM 3069 HD1 TYR A 207 29.651 18.485 45.359 1.00 0.17 H \nATOM 3070 HH TYR A 207 27.779 18.714 41.244 1.00 0.40 H \nATOM 3071 H TYR A 207 30.992 19.359 46.849 1.00 0.27 H \nATOM 3072 N PHE A 208 29.839 22.672 49.083 1.00 -0.42 N \nATOM 3073 CA PHE A 208 30.000 23.144 50.456 1.00 -0.00 C \nATOM 3074 C PHE A 208 28.689 23.656 51.011 1.00 0.60 C \nATOM 3075 O PHE A 208 27.950 24.356 50.322 1.00 -0.57 O \nATOM 3076 CB PHE A 208 31.021 24.280 50.535 1.00 -0.03 C \nATOM 3077 CG PHE A 208 32.388 23.906 50.041 1.00 0.01 C \nATOM 3078 CD1 PHE A 208 32.657 23.823 48.671 1.00 -0.13 C \nATOM 3079 CD2 PHE A 208 33.410 23.620 50.944 1.00 -0.13 C \nATOM 3080 CE1 PHE A 208 33.940 23.457 48.211 1.00 -0.17 C \nATOM 3081 CE2 PHE A 208 34.681 23.256 50.498 1.00 -0.17 C \nATOM 3082 CZ PHE A 208 34.946 23.173 49.129 1.00 -0.11 C \nATOM 3083 HA PHE A 208 30.349 22.304 51.074 1.00 0.10 H \nATOM 3084 HB2 PHE A 208 30.652 25.120 49.929 1.00 0.03 H \nATOM 3085 HB3 PHE A 208 31.107 24.596 51.585 1.00 0.03 H \nATOM 3086 HD2 PHE A 208 33.215 23.681 52.009 1.00 0.13 H \nATOM 3087 HE2 PHE A 208 35.464 23.037 51.215 1.00 0.14 H \nATOM 3088 HZ PHE A 208 35.933 22.888 48.783 1.00 0.13 H \nATOM 3089 HE1 PHE A 208 34.141 23.397 47.147 1.00 0.14 H \nATOM 3090 HD1 PHE A 208 31.872 24.042 47.956 1.00 0.13 H \nATOM 3091 H PHE A 208 29.581 23.330 48.375 1.00 0.27 H \nATOM 3092 N VAL A 209 28.405 23.307 52.263 1.00 -0.42 N \nATOM 3093 CA VAL A 209 27.181 23.760 52.929 1.00 -0.09 C \nATOM 3094 C VAL A 209 27.228 25.278 53.091 1.00 0.60 C \nATOM 3095 O VAL A 209 28.150 25.794 53.715 1.00 -0.57 O \nATOM 3096 CB VAL A 209 27.045 23.176 54.352 1.00 0.30 C \nATOM 3097 CG1 VAL A 209 25.705 23.579 54.940 1.00 -0.32 C \nATOM 3098 CG2 VAL A 209 27.192 21.676 54.322 1.00 -0.32 C \nATOM 3099 HA VAL A 209 26.311 23.468 52.323 1.00 0.10 H \nATOM 3100 HB VAL A 209 27.845 23.592 54.983 1.00 -0.03 H \nATOM 3101 HG11 VAL A 209 24.895 23.199 54.300 1.00 0.08 H \nATOM 3102 HG12 VAL A 209 25.605 23.154 55.950 1.00 0.08 H \nATOM 3103 HG13 VAL A 209 25.644 24.676 54.996 1.00 0.08 H \nATOM 3104 HG21 VAL A 209 28.178 21.412 53.911 1.00 0.08 H \nATOM 3105 HG22 VAL A 209 27.103 21.278 55.344 1.00 0.08 H \nATOM 3106 HG23 VAL A 209 26.403 21.243 53.690 1.00 0.08 H \nATOM 3107 H VAL A 209 29.043 22.721 52.762 1.00 0.27 H \nATOM 3108 N THR A 210 26.246 25.989 52.546 1.00 -0.42 N \nATOM 3109 CA THR A 210 26.220 27.443 52.676 1.00 -0.04 C \nATOM 3110 C THR A 210 24.981 27.957 53.422 1.00 0.60 C \nATOM 3111 O THR A 210 24.947 29.102 53.874 1.00 -0.57 O \nATOM 3112 CB THR A 210 26.315 28.126 51.296 1.00 0.37 C \nATOM 3113 OG1 THR A 210 25.651 27.316 50.314 1.00 -0.68 O \nATOM 3114 CG2 THR A 210 27.774 28.335 50.903 1.00 -0.24 C \nATOM 3115 HA THR A 210 27.105 27.735 53.261 1.00 0.10 H \nATOM 3116 HB THR A 210 25.818 29.106 51.348 1.00 0.00 H \nATOM 3117 HG1 THR A 210 25.710 27.737 49.464 1.00 0.41 H \nATOM 3118 HG23 THR A 210 28.071 29.370 51.131 1.00 0.06 H \nATOM 3119 HG21 THR A 210 28.410 27.638 51.469 1.00 0.06 H \nATOM 3120 HG22 THR A 210 27.894 28.148 49.826 1.00 0.06 H \nATOM 3121 H THR A 210 25.518 25.524 52.042 1.00 0.27 H \nATOM 3122 N GLY A 211 23.964 27.115 53.567 1.00 -0.42 N \nATOM 3123 CA GLY A 211 22.772 27.549 54.273 1.00 -0.03 C \nATOM 3124 C GLY A 211 21.895 26.407 54.746 1.00 0.60 C \nATOM 3125 O GLY A 211 22.120 25.239 54.418 1.00 -0.57 O \nATOM 3126 HA3 GLY A 211 23.082 28.135 55.150 1.00 0.07 H \nATOM 3127 HA2 GLY A 211 22.180 28.185 53.598 1.00 0.07 H \nATOM 3128 H GLY A 211 24.019 26.189 53.193 1.00 0.27 H \nATOM 3129 N ILE A 212 20.898 26.755 55.542 1.00 -0.42 N \nATOM 3130 CA ILE A 212 19.938 25.797 56.061 1.00 -0.06 C \nATOM 3131 C ILE A 212 18.569 26.361 55.671 1.00 0.60 C \nATOM 3132 O ILE A 212 18.288 27.536 55.925 1.00 -0.57 O \nATOM 3133 CB ILE A 212 20.021 25.712 57.600 1.00 0.13 C \nATOM 3134 CG1 ILE A 212 21.428 25.299 58.023 1.00 -0.04 C \nATOM 3135 CG2 ILE A 212 18.995 24.733 58.133 1.00 -0.32 C \nATOM 3136 CD1 ILE A 212 21.693 25.482 59.490 1.00 -0.07 C \nATOM 3137 HA ILE A 212 20.100 24.803 55.619 1.00 0.09 H \nATOM 3138 HB ILE A 212 19.806 26.706 58.019 1.00 0.02 H \nATOM 3139 HG12 ILE A 212 21.568 24.237 57.774 1.00 0.02 H \nATOM 3140 HG13 ILE A 212 22.153 25.906 57.460 1.00 0.02 H \nATOM 3141 HD11 ILE A 212 20.977 24.881 60.070 1.00 0.02 H \nATOM 3142 HD12 ILE A 212 22.718 25.156 59.721 1.00 0.02 H \nATOM 3143 HD13 ILE A 212 21.578 26.544 59.754 1.00 0.02 H \nATOM 3144 HG21 ILE A 212 19.179 23.738 57.701 1.00 0.09 H \nATOM 3145 HG22 ILE A 212 19.075 24.678 59.229 1.00 0.09 H \nATOM 3146 HG23 ILE A 212 17.986 25.072 57.856 1.00 0.09 H \nATOM 3147 H ILE A 212 20.801 27.717 55.797 1.00 0.27 H \nATOM 3148 N VAL A 213 17.733 25.554 55.022 1.00 -0.42 N \nATOM 3149 CA VAL A 213 16.401 26.022 54.653 1.00 -0.09 C \nATOM 3150 C VAL A 213 15.728 26.447 55.966 1.00 0.60 C \nATOM 3151 O VAL A 213 15.596 25.646 56.899 1.00 -0.57 O \nATOM 3152 CB VAL A 213 15.573 24.909 53.966 1.00 0.30 C \nATOM 3153 CG1 VAL A 213 14.183 25.435 53.611 1.00 -0.32 C \nATOM 3154 CG2 VAL A 213 16.280 24.433 52.710 1.00 -0.32 C \nATOM 3155 HA VAL A 213 16.482 26.882 53.972 1.00 0.10 H \nATOM 3156 HB VAL A 213 15.468 24.062 54.660 1.00 -0.03 H \nATOM 3157 HG11 VAL A 213 14.279 26.297 52.934 1.00 0.08 H \nATOM 3158 HG12 VAL A 213 13.606 24.641 53.115 1.00 0.08 H \nATOM 3159 HG13 VAL A 213 13.663 25.746 54.529 1.00 0.08 H \nATOM 3160 HG21 VAL A 213 17.274 24.044 52.974 1.00 0.08 H \nATOM 3161 HG22 VAL A 213 15.688 23.636 52.236 1.00 0.08 H \nATOM 3162 HG23 VAL A 213 16.389 25.274 52.010 1.00 0.08 H \nATOM 3163 H VAL A 213 18.018 24.625 54.787 1.00 0.27 H \nATOM 3164 N SER A 214 15.303 27.709 56.026 1.00 -0.42 N \nATOM 3165 CA SER A 214 14.703 28.247 57.237 1.00 -0.02 C \nATOM 3166 C SER A 214 13.232 28.621 57.133 1.00 0.60 C \nATOM 3167 O SER A 214 12.384 28.042 57.826 1.00 -0.57 O \nATOM 3168 CB SER A 214 15.511 29.464 57.707 1.00 0.21 C \nATOM 3169 OG SER A 214 15.137 29.841 59.025 1.00 -0.65 O \nATOM 3170 HA SER A 214 14.780 27.466 58.008 1.00 0.08 H \nATOM 3171 HB2 SER A 214 16.582 29.213 57.694 1.00 0.04 H \nATOM 3172 HB3 SER A 214 15.324 30.306 57.025 1.00 0.04 H \nATOM 3173 HG SER A 214 15.648 30.595 59.296 1.00 0.43 H \nATOM 3174 H SER A 214 15.398 28.297 55.223 1.00 0.27 H \nATOM 3175 N TRP A 215 12.919 29.598 56.294 1.00 -0.42 N \nATOM 3176 CA TRP A 215 11.532 30.002 56.164 1.00 -0.03 C \nATOM 3177 C TRP A 215 11.278 30.832 54.923 1.00 0.60 C \nATOM 3178 O TRP A 215 12.193 31.138 54.156 1.00 -0.57 O \nATOM 3179 CB TRP A 215 11.080 30.786 57.409 1.00 -0.01 C \nATOM 3180 CG TRP A 215 11.880 32.044 57.702 1.00 -0.14 C \nATOM 3181 CD1 TRP A 215 13.071 32.124 58.373 1.00 -0.16 C \nATOM 3182 CD2 TRP A 215 11.539 33.389 57.332 1.00 0.12 C \nATOM 3183 NE1 TRP A 215 13.492 33.429 58.445 1.00 -0.34 N \nATOM 3184 CE2 TRP A 215 12.573 34.228 57.814 1.00 0.14 C \nATOM 3185 CE3 TRP A 215 10.461 33.968 56.636 1.00 -0.24 C \nATOM 3186 CZ2 TRP A 215 12.560 35.621 57.630 1.00 -0.26 C \nATOM 3187 CZ3 TRP A 215 10.447 35.356 56.451 1.00 -0.20 C \nATOM 3188 CH2 TRP A 215 11.493 36.164 56.946 1.00 -0.11 C \nATOM 3189 HA TRP A 215 10.923 29.089 56.090 1.00 0.11 H \nATOM 3190 HB2 TRP A 215 10.029 31.076 57.266 1.00 0.03 H \nATOM 3191 HB3 TRP A 215 11.162 30.119 58.280 1.00 0.03 H \nATOM 3192 HE1 TRP A 215 14.357 33.755 58.899 1.00 0.34 H \nATOM 3193 HD1 TRP A 215 13.608 31.273 58.790 1.00 0.21 H \nATOM 3194 HZ2 TRP A 215 13.359 36.246 58.012 1.00 0.16 H \nATOM 3195 HH2 TRP A 215 11.457 37.235 56.785 1.00 0.14 H \nATOM 3196 HZ3 TRP A 215 9.621 35.816 55.920 1.00 0.14 H \nATOM 3197 HE3 TRP A 215 9.657 33.351 56.251 1.00 0.17 H \nATOM 3198 H TRP A 215 13.631 30.051 55.757 1.00 0.27 H \nATOM 3199 N GLY A 216 10.014 31.199 54.744 1.00 -0.42 N \nATOM 3200 CA GLY A 216 9.614 32.004 53.607 1.00 -0.03 C \nATOM 3201 C GLY A 216 8.143 32.323 53.720 1.00 0.60 C \nATOM 3202 O GLY A 216 7.386 31.547 54.305 1.00 -0.57 O \nATOM 3203 HA3 GLY A 216 10.194 32.939 53.595 1.00 0.07 H \nATOM 3204 HA2 GLY A 216 9.799 31.446 52.677 1.00 0.07 H \nATOM 3205 H GLY A 216 9.323 30.914 55.408 1.00 0.27 H \nATOM 3206 N GLU A 217 7.735 33.470 53.185 1.00 -0.52 N \nATOM 3207 CA GLU A 217 6.330 33.853 53.228 1.00 0.04 C \nATOM 3208 C GLU A 217 5.639 33.138 52.075 1.00 0.54 C \nATOM 3209 O GLU A 217 5.446 33.696 50.998 1.00 -0.58 O \nATOM 3210 CB GLU A 217 6.198 35.370 53.095 1.00 0.06 C \nATOM 3211 CG GLU A 217 6.970 36.112 54.173 1.00 0.01 C \nATOM 3212 CD GLU A 217 6.890 37.623 54.038 1.00 0.81 C \nATOM 3213 OE1 GLU A 217 5.769 38.175 54.143 1.00 -0.82 O \nATOM 3214 OE2 GLU A 217 7.948 38.263 53.831 1.00 -0.82 O \nATOM 3215 HA GLU A 217 5.884 33.535 54.182 1.00 0.11 H \nATOM 3216 HB2 GLU A 217 6.584 35.674 52.111 1.00 -0.02 H \nATOM 3217 HB3 GLU A 217 5.135 35.641 53.171 1.00 -0.02 H \nATOM 3218 HG2 GLU A 217 6.561 35.827 55.154 1.00 -0.04 H \nATOM 3219 HG3 GLU A 217 8.027 35.812 54.115 1.00 -0.04 H \nATOM 3220 H GLU A 217 8.400 34.076 52.748 1.00 0.29 H \nATOM 3221 N GLY A 218 5.276 31.884 52.312 1.00 -0.42 N \nATOM 3222 CA GLY A 218 4.653 31.100 51.269 1.00 -0.03 C \nATOM 3223 C GLY A 218 5.778 30.486 50.460 1.00 0.60 C \nATOM 3224 O GLY A 218 6.908 30.385 50.940 1.00 -0.57 O \nATOM 3225 HA3 GLY A 218 4.027 30.310 51.710 1.00 0.07 H \nATOM 3226 HA2 GLY A 218 4.033 31.744 50.629 1.00 0.07 H \nATOM 3227 H GLY A 218 5.434 31.481 53.213 1.00 0.27 H \nATOM 3228 N CYS A 220 5.494 30.088 49.229 1.00 -0.42 N \nATOM 3229 CA CYS A 220 6.515 29.467 48.406 1.00 0.02 C \nATOM 3230 C CYS A 220 6.340 29.869 46.958 1.00 0.60 C \nATOM 3231 O CYS A 220 5.270 29.672 46.379 1.00 -0.57 O \nATOM 3232 CB CYS A 220 6.418 27.948 48.541 1.00 -0.12 C \nATOM 3233 SG CYS A 220 6.150 27.421 50.240 1.00 -0.31 S \nATOM 3234 HA CYS A 220 7.506 29.798 48.751 1.00 0.11 H \nATOM 3235 HB2 CYS A 220 5.579 27.592 47.925 1.00 0.11 H \nATOM 3236 HB3 CYS A 220 7.355 27.501 48.177 1.00 0.11 H \nATOM 3237 HG CYS A 220 6.094 26.415 50.275 1.00 0.19 H \nATOM 3238 H CYS A 220 4.571 30.216 48.865 1.00 0.27 H \nATOM 3239 N ALA A 221 7.404 30.422 46.382 1.00 -0.42 N \nATOM 3240 CA ALA A 221 7.413 30.879 45.001 1.00 0.03 C \nATOM 3241 C ALA A 221 6.460 32.043 44.757 1.00 0.60 C \nATOM 3242 O ALA A 221 6.095 32.305 43.614 1.00 -0.57 O \nATOM 3243 CB ALA A 221 7.086 29.725 44.061 1.00 -0.18 C \nATOM 3244 HA ALA A 221 8.431 31.229 44.773 1.00 0.08 H \nATOM 3245 HB1 ALA A 221 7.096 30.085 43.021 1.00 0.06 H \nATOM 3246 HB2 ALA A 221 7.837 28.930 44.181 1.00 0.06 H \nATOM 3247 HB3 ALA A 221 6.089 29.327 44.302 1.00 0.06 H \nATOM 3248 H ALA A 221 8.237 30.529 46.924 1.00 0.27 H \nATOM 3249 N ARG A 222 6.061 32.740 45.824 1.00 -0.35 N \nATOM 3250 CA ARG A 222 5.167 33.901 45.707 1.00 -0.26 C \nATOM 3251 C ARG A 222 5.902 35.058 45.029 1.00 0.73 C \nATOM 3252 O ARG A 222 7.103 35.253 45.240 1.00 -0.59 O \nATOM 3253 CB ARG A 222 4.705 34.369 47.084 1.00 -0.00 C \nATOM 3254 CG ARG A 222 3.694 33.469 47.756 1.00 0.04 C \nATOM 3255 CD ARG A 222 3.307 34.022 49.119 1.00 0.05 C \nATOM 3256 NE ARG A 222 2.257 33.226 49.750 1.00 -0.53 N \nATOM 3257 CZ ARG A 222 1.690 33.512 50.920 1.00 0.81 C \nATOM 3258 NH1 ARG A 222 2.071 34.586 51.602 1.00 -0.86 N \nATOM 3259 NH2 ARG A 222 0.739 32.721 51.410 1.00 -0.86 N \nATOM 3260 HA ARG A 222 4.291 33.619 45.105 1.00 0.16 H \nATOM 3261 HB2 ARG A 222 5.588 34.437 47.736 1.00 0.03 H \nATOM 3262 HB3 ARG A 222 4.254 35.366 46.972 1.00 0.03 H \nATOM 3263 HG2 ARG A 222 2.795 33.401 47.125 1.00 0.03 H \nATOM 3264 HG3 ARG A 222 4.130 32.467 47.883 1.00 0.03 H \nATOM 3265 HD2 ARG A 222 4.194 34.020 49.769 1.00 0.07 H \nATOM 3266 HD3 ARG A 222 2.946 35.054 48.995 1.00 0.07 H \nATOM 3267 HE ARG A 222 1.932 32.384 49.254 1.00 0.35 H \nATOM 3268 HH12 ARG A 222 1.630 34.805 52.507 1.00 0.45 H \nATOM 3269 HH11 ARG A 222 2.807 35.200 51.226 1.00 0.45 H \nATOM 3270 HH22 ARG A 222 0.301 32.943 52.315 1.00 0.45 H \nATOM 3271 HH21 ARG A 222 0.441 31.887 50.884 1.00 0.45 H \nATOM 3272 H ARG A 222 6.380 32.464 46.730 1.00 0.27 H \nATOM 3273 N LYS A 223 5.189 35.831 44.218 1.00 -0.35 N \nATOM 3274 CA LYS A 223 5.816 36.955 43.534 1.00 -0.24 C \nATOM 3275 C LYS A 223 6.348 37.971 44.539 1.00 0.73 C \nATOM 3276 O LYS A 223 5.659 38.338 45.494 1.00 -0.59 O \nATOM 3277 CB LYS A 223 4.831 37.612 42.544 1.00 -0.01 C \nATOM 3278 CG LYS A 223 3.427 37.863 43.073 1.00 0.02 C \nATOM 3279 CD LYS A 223 3.356 39.109 43.932 1.00 -0.05 C \nATOM 3280 CE LYS A 223 1.930 39.381 44.378 1.00 -0.01 C \nATOM 3281 NZ LYS A 223 1.369 38.237 45.145 1.00 -0.39 N \nATOM 3282 HA LYS A 223 6.670 36.570 42.957 1.00 0.14 H \nATOM 3283 HB2 LYS A 223 5.255 38.580 42.239 1.00 0.04 H \nATOM 3284 HB3 LYS A 223 4.748 36.955 41.665 1.00 0.04 H \nATOM 3285 HG2 LYS A 223 2.742 37.981 42.220 1.00 0.01 H \nATOM 3286 HG3 LYS A 223 3.115 36.998 43.677 1.00 0.01 H \nATOM 3287 HD2 LYS A 223 3.991 38.971 44.820 1.00 0.06 H \nATOM 3288 HD3 LYS A 223 3.721 39.968 43.350 1.00 0.06 H \nATOM 3289 HE2 LYS A 223 1.920 40.277 45.015 1.00 0.11 H \nATOM 3290 HE3 LYS A 223 1.305 39.556 43.490 1.00 0.11 H \nATOM 3291 HZ1 LYS A 223 1.938 38.067 45.959 1.00 0.34 H \nATOM 3292 HZ2 LYS A 223 0.428 38.455 45.433 1.00 0.34 H \nATOM 3293 HZ3 LYS A 223 1.361 37.414 44.563 1.00 0.34 H \nATOM 3294 H LYS A 223 4.218 35.641 44.076 1.00 0.27 H \nATOM 3295 N GLY A 223A 7.599 38.386 44.338 1.00 -0.42 N \nATOM 3296 CA GLY A 223A 8.220 39.363 45.217 1.00 -0.03 C \nATOM 3297 C GLY A 223A 8.710 38.850 46.559 1.00 0.60 C \nATOM 3298 O GLY A 223A 9.059 39.638 47.445 1.00 -0.57 O \nATOM 3299 HA3 GLY A 223A 9.084 39.789 44.686 1.00 0.07 H \nATOM 3300 HA2 GLY A 223A 7.482 40.155 45.411 1.00 0.07 H \nATOM 3301 H GLY A 223A 8.120 38.018 43.568 1.00 0.27 H \nATOM 3302 N LYS A 224 8.742 37.532 46.718 1.00 -0.35 N \nATOM 3303 CA LYS A 224 9.195 36.931 47.966 1.00 -0.24 C \nATOM 3304 C LYS A 224 10.328 35.964 47.678 1.00 0.73 C \nATOM 3305 O LYS A 224 10.373 35.363 46.604 1.00 -0.59 O \nATOM 3306 CB LYS A 224 8.039 36.194 48.650 1.00 -0.01 C \nATOM 3307 CG LYS A 224 6.886 37.098 49.065 1.00 0.02 C \nATOM 3308 CD LYS A 224 7.337 38.101 50.108 1.00 -0.05 C \nATOM 3309 CE LYS A 224 6.202 39.023 50.511 1.00 -0.01 C \nATOM 3310 NZ LYS A 224 6.597 39.913 51.630 1.00 -0.39 N \nATOM 3311 HA LYS A 224 9.559 37.724 48.636 1.00 0.14 H \nATOM 3312 HB2 LYS A 224 7.651 35.437 47.953 1.00 0.04 H \nATOM 3313 HB3 LYS A 224 8.430 35.697 49.550 1.00 0.04 H \nATOM 3314 HG2 LYS A 224 6.515 37.638 48.181 1.00 0.01 H \nATOM 3315 HG3 LYS A 224 6.077 36.481 49.484 1.00 0.01 H \nATOM 3316 HD2 LYS A 224 7.692 37.559 50.997 1.00 0.06 H \nATOM 3317 HD3 LYS A 224 8.159 38.704 49.694 1.00 0.06 H \nATOM 3318 HE2 LYS A 224 5.918 39.640 49.646 1.00 0.11 H \nATOM 3319 HE3 LYS A 224 5.341 38.414 50.825 1.00 0.11 H \nATOM 3320 HZ1 LYS A 224 7.389 40.471 51.352 1.00 0.34 H \nATOM 3321 HZ2 LYS A 224 5.826 40.518 51.867 1.00 0.34 H \nATOM 3322 HZ3 LYS A 224 6.845 39.355 52.432 1.00 0.34 H \nATOM 3323 H LYS A 224 8.450 36.940 45.967 1.00 0.27 H \nATOM 3324 N TYR A 225 11.247 35.826 48.631 1.00 -0.42 N \nATOM 3325 CA TYR A 225 12.386 34.927 48.468 1.00 -0.00 C \nATOM 3326 C TYR A 225 12.445 33.880 49.576 1.00 0.60 C \nATOM 3327 O TYR A 225 11.760 33.991 50.594 1.00 -0.57 O \nATOM 3328 CB TYR A 225 13.690 35.729 48.459 1.00 -0.02 C \nATOM 3329 CG TYR A 225 13.762 36.751 47.354 1.00 -0.00 C \nATOM 3330 CD1 TYR A 225 13.919 36.359 46.020 1.00 -0.19 C \nATOM 3331 CD2 TYR A 225 13.630 38.113 47.634 1.00 -0.19 C \nATOM 3332 CE1 TYR A 225 13.941 37.303 44.986 1.00 -0.23 C \nATOM 3333 CE2 TYR A 225 13.647 39.066 46.613 1.00 -0.23 C \nATOM 3334 CZ TYR A 225 13.802 38.655 45.292 1.00 0.32 C \nATOM 3335 OH TYR A 225 13.809 39.591 44.282 1.00 -0.56 O \nATOM 3336 HA TYR A 225 12.282 34.408 47.504 1.00 0.09 H \nATOM 3337 HB3 TYR A 225 13.784 36.251 49.423 1.00 0.03 H \nATOM 3338 HB2 TYR A 225 14.529 35.028 48.339 1.00 0.03 H \nATOM 3339 HD2 TYR A 225 13.512 38.436 48.662 1.00 0.17 H \nATOM 3340 HE2 TYR A 225 13.540 40.119 46.848 1.00 0.17 H \nATOM 3341 HE1 TYR A 225 14.065 36.985 43.957 1.00 0.17 H \nATOM 3342 HD1 TYR A 225 14.025 35.307 45.783 1.00 0.17 H \nATOM 3343 HH TYR A 225 13.922 39.154 43.446 1.00 0.40 H \nATOM 3344 H TYR A 225 11.155 36.350 49.478 1.00 0.27 H \nATOM 3345 N GLY A 226 13.253 32.849 49.360 1.00 -0.42 N \nATOM 3346 CA GLY A 226 13.402 31.822 50.369 1.00 -0.03 C \nATOM 3347 C GLY A 226 14.424 32.340 51.364 1.00 0.60 C \nATOM 3348 O GLY A 226 15.466 32.873 50.964 1.00 -0.57 O \nATOM 3349 HA3 GLY A 226 12.440 31.641 50.872 1.00 0.07 H \nATOM 3350 HA2 GLY A 226 13.758 30.888 49.910 1.00 0.07 H \nATOM 3351 H GLY A 226 13.759 32.782 48.500 1.00 0.27 H \nATOM 3352 N ILE A 227 14.139 32.213 52.654 1.00 -0.42 N \nATOM 3353 CA ILE A 227 15.085 32.687 53.656 1.00 -0.06 C \nATOM 3354 C ILE A 227 15.844 31.502 54.259 1.00 0.60 C \nATOM 3355 O ILE A 227 15.246 30.525 54.720 1.00 -0.57 O \nATOM 3356 CB ILE A 227 14.372 33.490 54.787 1.00 0.13 C \nATOM 3357 CG1 ILE A 227 13.382 34.503 54.182 1.00 -0.04 C \nATOM 3358 CG2 ILE A 227 15.407 34.219 55.629 1.00 -0.32 C \nATOM 3359 CD1 ILE A 227 14.005 35.566 53.325 1.00 -0.07 C \nATOM 3360 HA ILE A 227 15.807 33.353 53.162 1.00 0.09 H \nATOM 3361 HB ILE A 227 13.817 32.789 55.428 1.00 0.02 H \nATOM 3362 HG12 ILE A 227 12.660 33.948 53.565 1.00 0.02 H \nATOM 3363 HG13 ILE A 227 12.853 34.999 55.009 1.00 0.02 H \nATOM 3364 HD11 ILE A 227 14.538 35.095 52.486 1.00 0.02 H \nATOM 3365 HD12 ILE A 227 13.219 36.229 52.934 1.00 0.02 H \nATOM 3366 HD13 ILE A 227 14.715 36.153 53.927 1.00 0.02 H \nATOM 3367 HG21 ILE A 227 15.982 34.905 54.990 1.00 0.09 H \nATOM 3368 HG22 ILE A 227 14.899 34.792 56.419 1.00 0.09 H \nATOM 3369 HG23 ILE A 227 16.088 33.487 56.087 1.00 0.09 H \nATOM 3370 H ILE A 227 13.277 31.793 52.938 1.00 0.27 H \nATOM 3371 N TYR A 228 17.169 31.596 54.239 1.00 -0.42 N \nATOM 3372 CA TYR A 228 18.028 30.534 54.760 1.00 -0.00 C \nATOM 3373 C TYR A 228 18.908 31.015 55.895 1.00 0.60 C \nATOM 3374 O TYR A 228 19.245 32.197 55.975 1.00 -0.57 O \nATOM 3375 CB TYR A 228 18.943 29.994 53.658 1.00 -0.02 C \nATOM 3376 CG TYR A 228 18.219 29.475 52.445 1.00 -0.00 C \nATOM 3377 CD1 TYR A 228 17.565 30.350 51.573 1.00 -0.19 C \nATOM 3378 CD2 TYR A 228 18.179 28.110 52.164 1.00 -0.19 C \nATOM 3379 CE1 TYR A 228 16.885 29.876 50.448 1.00 -0.23 C \nATOM 3380 CE2 TYR A 228 17.501 27.628 51.040 1.00 -0.23 C \nATOM 3381 CZ TYR A 228 16.858 28.514 50.192 1.00 0.32 C \nATOM 3382 OH TYR A 228 16.174 28.043 49.105 1.00 -0.56 O \nATOM 3383 HA TYR A 228 17.386 29.720 55.128 1.00 0.09 H \nATOM 3384 HB3 TYR A 228 19.612 30.807 53.338 1.00 0.03 H \nATOM 3385 HB2 TYR A 228 19.540 29.172 54.079 1.00 0.03 H \nATOM 3386 HD2 TYR A 228 18.680 27.413 52.826 1.00 0.17 H \nATOM 3387 HE2 TYR A 228 17.479 26.564 50.833 1.00 0.17 H \nATOM 3388 HE1 TYR A 228 16.383 30.568 49.781 1.00 0.17 H \nATOM 3389 HD1 TYR A 228 17.586 31.415 51.773 1.00 0.17 H \nATOM 3390 HH TYR A 228 15.794 28.772 48.629 1.00 0.40 H \nATOM 3391 H TYR A 228 17.591 32.418 53.856 1.00 0.27 H \nATOM 3392 N THR A 229 19.290 30.086 56.763 1.00 -0.42 N \nATOM 3393 CA THR A 229 20.171 30.395 57.876 1.00 -0.04 C \nATOM 3394 C THR A 229 21.574 30.509 57.268 1.00 0.60 C \nATOM 3395 O THR A 229 22.005 29.630 56.526 1.00 -0.57 O \nATOM 3396 CB THR A 229 20.140 29.262 58.933 1.00 0.37 C \nATOM 3397 OG1 THR A 229 18.806 29.111 59.439 1.00 -0.68 O \nATOM 3398 CG2 THR A 229 21.079 29.575 60.086 1.00 -0.24 C \nATOM 3399 HA THR A 229 19.876 31.344 58.347 1.00 0.10 H \nATOM 3400 HB THR A 229 20.456 28.322 58.458 1.00 0.00 H \nATOM 3401 HG1 THR A 229 18.790 28.416 60.087 1.00 0.41 H \nATOM 3402 HG23 THR A 229 22.029 29.039 59.941 1.00 0.06 H \nATOM 3403 HG21 THR A 229 21.270 30.658 60.120 1.00 0.06 H \nATOM 3404 HG22 THR A 229 20.618 29.255 61.032 1.00 0.06 H \nATOM 3405 H THR A 229 18.962 29.148 56.648 1.00 0.27 H \nATOM 3406 N LYS A 230 22.266 31.604 57.564 1.00 -0.35 N \nATOM 3407 CA LYS A 230 23.606 31.833 57.043 1.00 -0.24 C \nATOM 3408 C LYS A 230 24.627 30.981 57.812 1.00 0.73 C \nATOM 3409 O LYS A 230 25.094 31.354 58.893 1.00 -0.59 O \nATOM 3410 CB LYS A 230 23.942 33.324 57.143 1.00 -0.01 C \nATOM 3411 CG LYS A 230 25.258 33.732 56.497 1.00 0.02 C \nATOM 3412 CD LYS A 230 25.405 35.238 56.515 1.00 -0.05 C \nATOM 3413 CE LYS A 230 26.757 35.659 55.974 1.00 -0.01 C \nATOM 3414 NZ LYS A 230 26.895 37.147 55.881 1.00 -0.39 N \nATOM 3415 HA LYS A 230 23.631 31.537 55.984 1.00 0.14 H \nATOM 3416 HB2 LYS A 230 23.133 33.889 56.656 1.00 0.04 H \nATOM 3417 HB3 LYS A 230 23.987 33.593 58.209 1.00 0.04 H \nATOM 3418 HG2 LYS A 230 26.092 33.279 57.054 1.00 0.01 H \nATOM 3419 HG3 LYS A 230 25.277 33.378 55.456 1.00 0.01 H \nATOM 3420 HD2 LYS A 230 24.614 35.684 55.894 1.00 0.06 H \nATOM 3421 HD3 LYS A 230 25.304 35.597 57.550 1.00 0.06 H \nATOM 3422 HE2 LYS A 230 27.541 35.272 56.642 1.00 0.11 H \nATOM 3423 HE3 LYS A 230 26.886 35.229 54.970 1.00 0.11 H \nATOM 3424 HZ1 LYS A 230 26.777 37.553 56.796 1.00 0.34 H \nATOM 3425 HZ2 LYS A 230 27.810 37.378 55.527 1.00 0.34 H \nATOM 3426 HZ3 LYS A 230 26.191 37.511 55.258 1.00 0.34 H \nATOM 3427 H LYS A 230 21.854 32.291 58.162 1.00 0.27 H \nATOM 3428 N VAL A 231 24.968 29.833 57.235 1.00 -0.42 N \nATOM 3429 CA VAL A 231 25.904 28.902 57.849 1.00 -0.09 C \nATOM 3430 C VAL A 231 27.271 29.489 58.156 1.00 0.60 C \nATOM 3431 O VAL A 231 27.873 29.148 59.177 1.00 -0.57 O \nATOM 3432 CB VAL A 231 26.059 27.627 56.977 1.00 0.30 C \nATOM 3433 CG1 VAL A 231 27.269 26.799 57.420 1.00 -0.32 C \nATOM 3434 CG2 VAL A 231 24.787 26.779 57.096 1.00 -0.32 C \nATOM 3435 HA VAL A 231 25.464 28.598 58.810 1.00 0.10 H \nATOM 3436 HB VAL A 231 26.198 27.927 55.928 1.00 -0.03 H \nATOM 3437 HG11 VAL A 231 27.145 26.503 58.472 1.00 0.08 H \nATOM 3438 HG12 VAL A 231 27.347 25.899 56.792 1.00 0.08 H \nATOM 3439 HG13 VAL A 231 28.184 27.401 57.314 1.00 0.08 H \nATOM 3440 HG21 VAL A 231 23.921 27.367 56.756 1.00 0.08 H \nATOM 3441 HG22 VAL A 231 24.887 25.879 56.472 1.00 0.08 H \nATOM 3442 HG23 VAL A 231 24.640 26.483 58.145 1.00 0.08 H \nATOM 3443 H VAL A 231 24.568 29.601 56.348 1.00 0.27 H \nATOM 3444 N THR A 232 27.767 30.375 57.299 1.00 -0.42 N \nATOM 3445 CA THR A 232 29.077 30.977 57.536 1.00 -0.04 C \nATOM 3446 C THR A 232 29.140 31.803 58.830 1.00 0.60 C \nATOM 3447 O THR A 232 30.228 32.118 59.313 1.00 -0.57 O \nATOM 3448 CB THR A 232 29.511 31.874 56.349 1.00 0.37 C \nATOM 3449 OG1 THR A 232 28.502 32.859 56.092 1.00 -0.68 O \nATOM 3450 CG2 THR A 232 29.736 31.027 55.097 1.00 -0.24 C \nATOM 3451 HA THR A 232 29.802 30.155 57.627 1.00 0.10 H \nATOM 3452 HB THR A 232 30.451 32.382 56.610 1.00 0.00 H \nATOM 3453 HG1 THR A 232 28.772 33.406 55.364 1.00 0.41 H \nATOM 3454 HG23 THR A 232 30.811 30.823 54.981 1.00 0.06 H \nATOM 3455 HG21 THR A 232 29.191 30.077 55.194 1.00 0.06 H \nATOM 3456 HG22 THR A 232 29.368 31.572 54.215 1.00 0.06 H \nATOM 3457 H THR A 232 27.241 30.631 56.488 1.00 0.27 H \nATOM 3458 N ALA A 233 27.982 32.146 59.390 1.00 -0.42 N \nATOM 3459 CA ALA A 233 27.943 32.916 60.628 1.00 0.03 C \nATOM 3460 C ALA A 233 27.975 31.979 61.832 1.00 0.60 C \nATOM 3461 O ALA A 233 28.134 32.426 62.968 1.00 -0.57 O \nATOM 3462 CB ALA A 233 26.683 33.780 60.676 1.00 -0.18 C \nATOM 3463 HA ALA A 233 28.825 33.572 60.665 1.00 0.08 H \nATOM 3464 HB1 ALA A 233 26.668 34.354 61.614 1.00 0.06 H \nATOM 3465 HB2 ALA A 233 26.681 34.473 59.822 1.00 0.06 H \nATOM 3466 HB3 ALA A 233 25.794 33.134 60.626 1.00 0.06 H \nATOM 3467 H ALA A 233 27.125 31.871 58.955 1.00 0.27 H \nATOM 3468 N PHE A 234 27.837 30.676 61.582 1.00 -0.42 N \nATOM 3469 CA PHE A 234 27.818 29.693 62.667 1.00 -0.00 C \nATOM 3470 C PHE A 234 28.893 28.617 62.588 1.00 0.60 C \nATOM 3471 O PHE A 234 28.813 27.610 63.294 1.00 -0.57 O \nATOM 3472 CB PHE A 234 26.448 29.011 62.720 1.00 -0.03 C \nATOM 3473 CG PHE A 234 25.324 29.939 63.051 1.00 0.01 C \nATOM 3474 CD1 PHE A 234 25.116 30.358 64.362 1.00 -0.13 C \nATOM 3475 CD2 PHE A 234 24.481 30.419 62.052 1.00 -0.13 C \nATOM 3476 CE1 PHE A 234 24.086 31.240 64.675 1.00 -0.17 C \nATOM 3477 CE2 PHE A 234 23.447 31.305 62.359 1.00 -0.17 C \nATOM 3478 CZ PHE A 234 23.250 31.715 63.673 1.00 -0.11 C \nATOM 3479 HA PHE A 234 27.971 30.243 63.607 1.00 0.10 H \nATOM 3480 HB2 PHE A 234 26.247 28.560 61.737 1.00 0.03 H \nATOM 3481 HB3 PHE A 234 26.483 28.222 63.486 1.00 0.03 H \nATOM 3482 HD2 PHE A 234 24.629 30.102 61.026 1.00 0.13 H \nATOM 3483 HE2 PHE A 234 22.798 31.673 61.573 1.00 0.14 H \nATOM 3484 HZ PHE A 234 22.447 32.402 63.914 1.00 0.13 H \nATOM 3485 HE1 PHE A 234 23.936 31.556 65.701 1.00 0.14 H \nATOM 3486 HD1 PHE A 234 25.765 29.992 65.150 1.00 0.13 H \nATOM 3487 H PHE A 234 27.745 30.365 60.636 1.00 0.27 H \nATOM 3488 N LEU A 235 29.903 28.828 61.753 1.00 -0.42 N \nATOM 3489 CA LEU A 235 30.952 27.831 61.591 1.00 -0.05 C \nATOM 3490 C LEU A 235 31.696 27.488 62.874 1.00 0.60 C \nATOM 3491 O LEU A 235 32.044 26.327 63.102 1.00 -0.57 O \nATOM 3492 CB LEU A 235 31.928 28.280 60.506 1.00 -0.11 C \nATOM 3493 CG LEU A 235 31.323 28.228 59.100 1.00 0.35 C \nATOM 3494 CD1 LEU A 235 32.199 28.995 58.121 1.00 -0.41 C \nATOM 3495 CD2 LEU A 235 31.156 26.768 58.682 1.00 -0.41 C \nATOM 3496 HA LEU A 235 30.467 26.906 61.246 1.00 0.09 H \nATOM 3497 HB2 LEU A 235 32.236 29.315 60.717 1.00 0.05 H \nATOM 3498 HB3 LEU A 235 32.809 27.622 60.533 1.00 0.05 H \nATOM 3499 HG LEU A 235 30.331 28.702 59.122 1.00 -0.04 H \nATOM 3500 HD21 LEU A 235 30.496 26.255 59.397 1.00 0.10 H \nATOM 3501 HD22 LEU A 235 30.712 26.723 57.677 1.00 0.10 H \nATOM 3502 HD23 LEU A 235 32.139 26.275 58.671 1.00 0.10 H \nATOM 3503 HD11 LEU A 235 33.206 28.552 58.105 1.00 0.10 H \nATOM 3504 HD12 LEU A 235 31.758 28.941 57.115 1.00 0.10 H \nATOM 3505 HD13 LEU A 235 32.266 30.047 58.436 1.00 0.10 H \nATOM 3506 H LEU A 235 29.944 29.680 61.230 1.00 0.27 H \nATOM 3507 N LYS A 236 31.932 28.481 63.722 1.00 -0.35 N \nATOM 3508 CA LYS A 236 32.632 28.224 64.970 1.00 -0.24 C \nATOM 3509 C LYS A 236 31.677 27.500 65.929 1.00 0.73 C \nATOM 3510 O LYS A 236 32.085 26.635 66.709 1.00 -0.59 O \nATOM 3511 CB LYS A 236 33.120 29.547 65.564 1.00 -0.01 C \nATOM 3512 CG LYS A 236 34.257 29.413 66.553 1.00 0.02 C \nATOM 3513 CD LYS A 236 35.500 28.781 65.924 1.00 -0.05 C \nATOM 3514 CE LYS A 236 35.510 27.258 66.056 1.00 -0.01 C \nATOM 3515 NZ LYS A 236 36.733 26.671 65.428 1.00 -0.39 N \nATOM 3516 HA LYS A 236 33.502 27.579 64.775 1.00 0.14 H \nATOM 3517 HB2 LYS A 236 33.458 30.190 64.738 1.00 0.04 H \nATOM 3518 HB3 LYS A 236 32.273 30.025 66.078 1.00 0.04 H \nATOM 3519 HG2 LYS A 236 34.520 30.413 66.928 1.00 0.01 H \nATOM 3520 HG3 LYS A 236 33.925 28.783 67.391 1.00 0.01 H \nATOM 3521 HD2 LYS A 236 35.528 29.043 64.856 1.00 0.06 H \nATOM 3522 HD3 LYS A 236 36.393 29.185 66.424 1.00 0.06 H \nATOM 3523 HE2 LYS A 236 35.490 26.990 67.123 1.00 0.11 H \nATOM 3524 HE3 LYS A 236 34.619 26.848 65.558 1.00 0.11 H \nATOM 3525 HZ1 LYS A 236 37.554 27.046 65.876 1.00 0.34 H \nATOM 3526 HZ2 LYS A 236 36.719 25.669 65.537 1.00 0.34 H \nATOM 3527 HZ3 LYS A 236 36.751 26.902 64.447 1.00 0.34 H \nATOM 3528 H LYS A 236 31.628 29.408 63.502 1.00 0.27 H \nATOM 3529 N TRP A 237 30.395 27.841 65.841 1.00 -0.42 N \nATOM 3530 CA TRP A 237 29.366 27.235 66.683 1.00 -0.03 C \nATOM 3531 C TRP A 237 29.176 25.765 66.306 1.00 0.60 C \nATOM 3532 O TRP A 237 28.963 24.901 67.167 1.00 -0.57 O \nATOM 3533 CB TRP A 237 28.039 27.976 66.494 1.00 -0.01 C \nATOM 3534 CG TRP A 237 26.949 27.475 67.381 1.00 -0.14 C \nATOM 3535 CD1 TRP A 237 26.671 27.890 68.647 1.00 -0.16 C \nATOM 3536 CD2 TRP A 237 26.019 26.423 67.091 1.00 0.12 C \nATOM 3537 NE1 TRP A 237 25.627 27.164 69.168 1.00 -0.34 N \nATOM 3538 CE2 TRP A 237 25.208 26.255 68.232 1.00 0.14 C \nATOM 3539 CE3 TRP A 237 25.794 25.604 65.976 1.00 -0.24 C \nATOM 3540 CZ2 TRP A 237 24.188 25.301 68.293 1.00 -0.26 C \nATOM 3541 CZ3 TRP A 237 24.779 24.655 66.036 1.00 -0.20 C \nATOM 3542 CH2 TRP A 237 23.989 24.512 67.188 1.00 -0.11 C \nATOM 3543 HA TRP A 237 29.675 27.303 67.736 1.00 0.11 H \nATOM 3544 HB2 TRP A 237 28.201 29.042 66.709 1.00 0.03 H \nATOM 3545 HB3 TRP A 237 27.719 27.858 65.448 1.00 0.03 H \nATOM 3546 HE1 TRP A 237 25.225 27.284 70.109 1.00 0.34 H \nATOM 3547 HD1 TRP A 237 27.200 28.684 69.172 1.00 0.21 H \nATOM 3548 HZ2 TRP A 237 23.576 25.189 69.181 1.00 0.16 H \nATOM 3549 HH2 TRP A 237 23.206 23.763 67.205 1.00 0.14 H \nATOM 3550 HZ3 TRP A 237 24.595 24.016 65.180 1.00 0.14 H \nATOM 3551 HE3 TRP A 237 26.400 25.708 65.083 1.00 0.17 H \nATOM 3552 H TRP A 237 30.125 28.537 65.175 1.00 0.27 H \nATOM 3553 N ILE A 238 29.233 25.498 65.005 1.00 -0.42 N \nATOM 3554 CA ILE A 238 29.070 24.144 64.501 1.00 -0.06 C \nATOM 3555 C ILE A 238 30.270 23.320 64.932 1.00 0.60 C \nATOM 3556 O ILE A 238 30.113 22.187 65.369 1.00 -0.57 O \nATOM 3557 CB ILE A 238 28.946 24.121 62.947 1.00 0.13 C \nATOM 3558 CG1 ILE A 238 27.615 24.751 62.521 1.00 -0.04 C \nATOM 3559 CG2 ILE A 238 29.062 22.680 62.421 1.00 -0.32 C \nATOM 3560 CD1 ILE A 238 27.482 24.964 61.015 1.00 -0.07 C \nATOM 3561 HA ILE A 238 28.157 23.710 64.934 1.00 0.09 H \nATOM 3562 HB ILE A 238 29.767 24.715 62.520 1.00 0.02 H \nATOM 3563 HG12 ILE A 238 26.799 24.091 62.850 1.00 0.02 H \nATOM 3564 HG13 ILE A 238 27.520 25.728 63.018 1.00 0.02 H \nATOM 3565 HD11 ILE A 238 27.573 23.997 60.498 1.00 0.02 H \nATOM 3566 HD12 ILE A 238 26.500 25.408 60.793 1.00 0.02 H \nATOM 3567 HD13 ILE A 238 28.277 25.641 60.669 1.00 0.02 H \nATOM 3568 HG21 ILE A 238 28.265 22.064 62.861 1.00 0.09 H \nATOM 3569 HG22 ILE A 238 28.962 22.680 61.326 1.00 0.09 H \nATOM 3570 HG23 ILE A 238 30.042 22.266 62.700 1.00 0.09 H \nATOM 3571 H ILE A 238 29.391 26.245 64.359 1.00 0.27 H \nATOM 3572 N ASP A 239 31.467 23.890 64.813 1.00 -0.52 N \nATOM 3573 CA ASP A 239 32.677 23.180 65.210 1.00 0.04 C \nATOM 3574 C ASP A 239 32.589 22.707 66.636 1.00 0.54 C \nATOM 3575 O ASP A 239 32.923 21.563 66.949 1.00 -0.58 O \nATOM 3576 CB ASP A 239 33.904 24.069 65.098 1.00 -0.03 C \nATOM 3577 CG ASP A 239 34.383 24.214 63.676 1.00 0.80 C \nATOM 3578 OD1 ASP A 239 33.967 23.388 62.826 1.00 -0.80 O \nATOM 3579 OD2 ASP A 239 35.181 25.144 63.416 1.00 -0.80 O \nATOM 3580 HA ASP A 239 32.801 22.310 64.549 1.00 0.09 H \nATOM 3581 HB2 ASP A 239 33.654 25.066 65.490 1.00 -0.01 H \nATOM 3582 HB3 ASP A 239 34.714 23.631 65.700 1.00 -0.01 H \nATOM 3583 H ASP A 239 31.537 24.818 64.446 1.00 0.29 H \nATOM 3584 N ARG A 240 32.143 23.603 67.504 1.00 -0.35 N \nATOM 3585 CA ARG A 240 32.026 23.273 68.909 1.00 -0.26 C \nATOM 3586 C ARG A 240 30.916 22.259 69.163 1.00 0.73 C \nATOM 3587 O ARG A 240 31.106 21.323 69.931 1.00 -0.59 O \nATOM 3588 CB ARG A 240 31.831 24.557 69.732 1.00 -0.00 C \nATOM 3589 CG ARG A 240 32.993 25.531 69.554 1.00 0.04 C \nATOM 3590 CD ARG A 240 32.941 26.764 70.467 1.00 0.05 C \nATOM 3591 NE ARG A 240 32.047 27.824 69.993 1.00 -0.53 N \nATOM 3592 CZ ARG A 240 30.734 27.863 70.216 1.00 0.81 C \nATOM 3593 NH1 ARG A 240 30.143 26.896 70.915 1.00 -0.86 N \nATOM 3594 NH2 ARG A 240 30.014 28.877 69.744 1.00 -0.86 N \nATOM 3595 HA ARG A 240 32.972 22.811 69.226 1.00 0.16 H \nATOM 3596 HB2 ARG A 240 30.902 25.049 69.408 1.00 0.03 H \nATOM 3597 HB3 ARG A 240 31.752 24.289 70.796 1.00 0.03 H \nATOM 3598 HG2 ARG A 240 33.928 24.990 69.761 1.00 0.03 H \nATOM 3599 HG3 ARG A 240 32.993 25.877 68.510 1.00 0.03 H \nATOM 3600 HD2 ARG A 240 32.599 26.443 71.462 1.00 0.07 H \nATOM 3601 HD3 ARG A 240 33.957 27.179 70.545 1.00 0.07 H \nATOM 3602 HE ARG A 240 32.463 28.593 69.449 1.00 0.35 H \nATOM 3603 HH12 ARG A 240 29.128 26.930 71.085 1.00 0.45 H \nATOM 3604 HH11 ARG A 240 30.701 26.114 71.286 1.00 0.45 H \nATOM 3605 HH22 ARG A 240 28.999 28.911 69.914 1.00 0.45 H \nATOM 3606 HH21 ARG A 240 30.472 29.628 69.208 1.00 0.45 H \nATOM 3607 H ARG A 240 31.885 24.515 67.186 1.00 0.27 H \nATOM 3608 N SER A 241 29.774 22.419 68.506 1.00 -0.42 N \nATOM 3609 CA SER A 241 28.677 21.480 68.698 1.00 -0.02 C \nATOM 3610 C SER A 241 29.084 20.062 68.312 1.00 0.60 C \nATOM 3611 O SER A 241 28.627 19.088 68.913 1.00 -0.57 O \nATOM 3612 CB SER A 241 27.470 21.901 67.867 1.00 0.21 C \nATOM 3613 OG SER A 241 27.070 23.204 68.234 1.00 -0.65 O \nATOM 3614 HA SER A 241 28.396 21.487 69.761 1.00 0.08 H \nATOM 3615 HB2 SER A 241 27.738 21.888 66.800 1.00 0.04 H \nATOM 3616 HB3 SER A 241 26.641 21.200 68.045 1.00 0.04 H \nATOM 3617 HG SER A 241 26.318 23.463 67.714 1.00 0.43 H \nATOM 3618 H SER A 241 29.666 23.188 67.876 1.00 0.27 H \nATOM 3619 N MET A 242 29.949 19.954 67.308 1.00 -0.42 N \nATOM 3620 CA MET A 242 30.401 18.660 66.839 1.00 -0.02 C \nATOM 3621 C MET A 242 31.415 18.022 67.782 1.00 0.60 C \nATOM 3622 O MET A 242 32.403 17.423 67.367 1.00 -0.57 O \nATOM 3623 CB MET A 242 30.944 18.791 65.415 1.00 0.03 C \nATOM 3624 CG MET A 242 29.829 19.070 64.408 1.00 0.00 C \nATOM 3625 SD MET A 242 30.370 19.243 62.700 1.00 -0.27 S \nATOM 3626 CE MET A 242 30.674 17.559 62.311 1.00 -0.05 C \nATOM 3627 HA MET A 242 29.526 17.994 66.804 1.00 0.09 H \nATOM 3628 HB2 MET A 242 31.668 19.619 65.384 1.00 0.02 H \nATOM 3629 HB3 MET A 242 31.448 17.853 65.138 1.00 0.02 H \nATOM 3630 HG2 MET A 242 29.111 18.238 64.456 1.00 0.04 H \nATOM 3631 HG3 MET A 242 29.329 20.004 64.703 1.00 0.04 H \nATOM 3632 HE1 MET A 242 29.748 16.980 62.441 1.00 0.07 H \nATOM 3633 HE2 MET A 242 31.013 17.479 61.268 1.00 0.07 H \nATOM 3634 HE3 MET A 242 31.452 17.163 62.980 1.00 0.07 H \nATOM 3635 H MET A 242 30.295 20.783 66.868 1.00 0.27 H \nATOM 3636 N LYS A 243 31.134 18.152 69.072 1.00 -0.35 N \nATOM 3637 CA LYS A 243 31.968 17.584 70.123 1.00 -0.24 C \nATOM 3638 C LYS A 243 31.087 17.318 71.342 1.00 0.73 C \nATOM 3639 O LYS A 243 31.525 16.703 72.313 1.00 -0.59 O \nATOM 3640 CB LYS A 243 33.099 18.550 70.477 1.00 -0.01 C \nATOM 3641 CG LYS A 243 34.037 18.835 69.319 1.00 0.02 C \nATOM 3642 CD LYS A 243 35.059 19.886 69.691 1.00 -0.05 C \nATOM 3643 CE LYS A 243 35.954 20.228 68.509 1.00 -0.01 C \nATOM 3644 NZ LYS A 243 36.885 21.368 68.802 1.00 -0.39 N \nATOM 3645 HA LYS A 243 32.403 16.636 69.774 1.00 0.14 H \nATOM 3646 HB2 LYS A 243 32.654 19.501 70.807 1.00 0.04 H \nATOM 3647 HB3 LYS A 243 33.684 18.114 71.300 1.00 0.04 H \nATOM 3648 HG2 LYS A 243 34.560 17.907 69.044 1.00 0.01 H \nATOM 3649 HG3 LYS A 243 33.450 19.193 68.461 1.00 0.01 H \nATOM 3650 HD2 LYS A 243 34.535 20.796 70.019 1.00 0.06 H \nATOM 3651 HD3 LYS A 243 35.682 19.505 70.514 1.00 0.06 H \nATOM 3652 HE2 LYS A 243 36.552 19.342 68.252 1.00 0.11 H \nATOM 3653 HE3 LYS A 243 35.319 20.502 67.654 1.00 0.11 H \nATOM 3654 HZ1 LYS A 243 37.472 21.130 69.586 1.00 0.34 H \nATOM 3655 HZ2 LYS A 243 37.460 21.548 67.994 1.00 0.34 H \nATOM 3656 HZ3 LYS A 243 36.348 22.192 69.023 1.00 0.34 H \nATOM 3657 H LYS A 243 30.315 18.662 69.334 1.00 0.27 H \nATOM 3658 N THR A 244 29.836 17.773 71.267 1.00 -0.46 N \nATOM 3659 CA THR A 244 28.872 17.599 72.352 1.00 0.04 C \nATOM 3660 C THR A 244 27.935 16.425 72.037 1.00 0.79 C \nATOM 3661 O THR A 244 26.709 16.644 71.917 1.00 -0.46 O \nATOM 3662 CB THR A 244 28.030 18.895 72.568 1.00 0.17 C \nATOM 3663 OG1 THR A 244 28.906 20.023 72.697 1.00 -0.55 O \nATOM 3664 CG2 THR A 244 27.181 18.794 73.837 1.00 -0.19 C \nATOM 3665 HA THR A 244 29.422 17.378 73.278 1.00 0.05 H \nATOM 3666 OXT THR A 244 28.445 15.291 71.910 1.00 -0.57 O \nATOM 3667 HOCA THR A 244 27.879 14.748 71.374 1.00 0.35 H \nATOM 3668 HB THR A 244 27.369 19.041 71.701 1.00 0.08 H \nATOM 3669 HG1 THR A 244 28.391 20.810 72.828 1.00 0.31 H \nATOM 3670 HG23 THR A 244 26.154 18.503 73.569 1.00 0.07 H \nATOM 3671 HG21 THR A 244 27.613 18.037 74.508 1.00 0.07 H \nATOM 3672 HG22 THR A 244 27.165 19.769 74.346 1.00 0.07 H \nATOM 3673 H THR A 244 29.546 18.251 70.438 1.00 0.25 H \nTER 3674 THR A 244 \nATOM 3675 N LYS L 87 45.633 39.483 41.414 1.00 -0.82 N \nATOM 3676 CA LYS L 87 44.736 39.832 42.552 1.00 0.04 C \nATOM 3677 C LYS L 87 44.676 38.698 43.570 1.00 0.62 C \nATOM 3678 O LYS L 87 43.694 38.568 44.294 1.00 -0.50 O \nATOM 3679 CB LYS L 87 43.333 40.126 42.023 1.00 -0.10 C \nATOM 3680 CG LYS L 87 43.316 41.153 40.914 1.00 -0.16 C \nATOM 3681 CD LYS L 87 41.908 41.481 40.478 1.00 -0.18 C \nATOM 3682 CE LYS L 87 41.882 42.803 39.725 1.00 -0.04 C \nATOM 3683 NZ LYS L 87 42.432 43.922 40.550 1.00 -0.14 N \nATOM 3684 HA LYS L 87 45.128 40.732 43.049 1.00 0.05 H \nATOM 3685 HB2 LYS L 87 42.901 39.190 41.639 1.00 0.04 H \nATOM 3686 HB3 LYS L 87 42.717 40.500 42.854 1.00 0.04 H \nATOM 3687 HG2 LYS L 87 43.802 42.073 41.272 1.00 0.12 H \nATOM 3688 HG3 LYS L 87 43.873 40.756 40.052 1.00 0.12 H \nATOM 3689 HD2 LYS L 87 41.536 40.681 39.820 1.00 0.12 H \nATOM 3690 HD3 LYS L 87 41.262 41.556 41.365 1.00 0.12 H \nATOM 3691 HE2 LYS L 87 42.486 42.704 38.811 1.00 0.10 H \nATOM 3692 HE3 LYS L 87 40.842 43.038 39.454 1.00 0.10 H \nATOM 3693 HZ1 LYS L 87 43.384 43.714 40.807 1.00 0.29 H \nATOM 3694 HZ2 LYS L 87 42.407 44.777 40.016 1.00 0.29 H \nATOM 3695 HZ3 LYS L 87 41.875 44.030 41.383 1.00 0.29 H \nATOM 3696 H LYS L 87 46.150 38.627 41.429 1.00 0.30 H \nATOM 3697 HNCA LYS L 87 45.719 40.117 40.620 1.00 0.30 H \nATOM 3698 N LEU L 88 45.721 37.877 43.620 1.00 -0.42 N \nATOM 3699 CA LEU L 88 45.771 36.765 44.565 1.00 -0.05 C \nATOM 3700 C LEU L 88 44.467 35.964 44.596 1.00 0.60 C \nATOM 3701 O LEU L 88 43.973 35.534 43.552 1.00 -0.57 O \nATOM 3702 CB LEU L 88 46.092 37.285 45.973 1.00 -0.11 C \nATOM 3703 CG LEU L 88 47.401 38.071 46.127 1.00 0.35 C \nATOM 3704 CD1 LEU L 88 47.519 38.598 47.553 1.00 -0.41 C \nATOM 3705 CD2 LEU L 88 48.587 37.174 45.777 1.00 -0.41 C \nATOM 3706 HA LEU L 88 46.579 36.088 44.250 1.00 0.09 H \nATOM 3707 HB2 LEU L 88 45.267 37.944 46.283 1.00 0.05 H \nATOM 3708 HB3 LEU L 88 46.141 36.417 46.647 1.00 0.05 H \nATOM 3709 HG LEU L 88 47.388 38.926 45.434 1.00 -0.04 H \nATOM 3710 HD21 LEU L 88 48.485 36.820 44.741 1.00 0.10 H \nATOM 3711 HD22 LEU L 88 49.521 37.745 45.879 1.00 0.10 H \nATOM 3712 HD23 LEU L 88 48.608 36.311 46.459 1.00 0.10 H \nATOM 3713 HD11 LEU L 88 47.505 37.754 48.258 1.00 0.10 H \nATOM 3714 HD12 LEU L 88 48.463 39.152 47.662 1.00 0.10 H \nATOM 3715 HD13 LEU L 88 46.674 39.268 47.767 1.00 0.10 H \nATOM 3716 H LEU L 88 46.489 38.024 42.997 1.00 0.27 H \nATOM 3717 N CYS L 89 43.908 35.775 45.792 1.00 -0.42 N \nATOM 3718 CA CYS L 89 42.672 35.005 45.954 1.00 0.02 C \nATOM 3719 C CYS L 89 41.515 35.547 45.145 1.00 0.60 C \nATOM 3720 O CYS L 89 40.527 34.851 44.919 1.00 -0.57 O \nATOM 3721 CB CYS L 89 42.264 34.946 47.424 1.00 -0.12 C \nATOM 3722 SG CYS L 89 43.465 34.144 48.485 1.00 -0.31 S \nATOM 3723 HA CYS L 89 42.873 33.980 45.609 1.00 0.11 H \nATOM 3724 HB2 CYS L 89 42.118 35.975 47.784 1.00 0.11 H \nATOM 3725 HB3 CYS L 89 41.315 34.394 47.497 1.00 0.11 H \nATOM 3726 HG CYS L 89 43.127 34.144 49.435 1.00 0.19 H \nATOM 3727 H CYS L 89 44.344 36.170 46.601 1.00 0.27 H \nATOM 3728 N SER L 90 41.621 36.796 44.717 1.00 -0.42 N \nATOM 3729 CA SER L 90 40.556 37.391 43.920 1.00 -0.02 C \nATOM 3730 C SER L 90 40.738 36.923 42.491 1.00 0.60 C \nATOM 3731 O SER L 90 39.770 36.821 41.737 1.00 -0.57 O \nATOM 3732 CB SER L 90 40.629 38.917 43.974 1.00 0.21 C \nATOM 3733 OG SER L 90 40.556 39.369 45.315 1.00 -0.65 O \nATOM 3734 HA SER L 90 39.579 37.060 44.301 1.00 0.08 H \nATOM 3735 HB2 SER L 90 41.579 39.250 43.531 1.00 0.04 H \nATOM 3736 HB3 SER L 90 39.790 39.340 43.403 1.00 0.04 H \nATOM 3737 HG SER L 90 40.603 40.318 45.332 1.00 0.43 H \nATOM 3738 H SER L 90 42.435 37.332 44.942 1.00 0.27 H \nATOM 3739 N LEU L 91 41.985 36.630 42.130 1.00 -0.42 N \nATOM 3740 CA LEU L 91 42.314 36.172 40.785 1.00 -0.05 C \nATOM 3741 C LEU L 91 42.146 34.662 40.676 1.00 0.60 C \nATOM 3742 O LEU L 91 43.032 33.903 41.058 1.00 -0.57 O \nATOM 3743 CB LEU L 91 43.754 36.564 40.441 1.00 -0.11 C \nATOM 3744 CG LEU L 91 44.275 36.145 39.063 1.00 0.35 C \nATOM 3745 CD1 LEU L 91 43.323 36.653 37.993 1.00 -0.41 C \nATOM 3746 CD2 LEU L 91 45.682 36.689 38.838 1.00 -0.41 C \nATOM 3747 HA LEU L 91 41.632 36.656 40.070 1.00 0.09 H \nATOM 3748 HB2 LEU L 91 43.824 37.660 40.504 1.00 0.05 H \nATOM 3749 HB3 LEU L 91 44.412 36.110 41.197 1.00 0.05 H \nATOM 3750 HG LEU L 91 44.311 35.047 39.014 1.00 -0.04 H \nATOM 3751 HD21 LEU L 91 46.354 36.301 39.617 1.00 0.10 H \nATOM 3752 HD22 LEU L 91 46.044 36.371 37.849 1.00 0.10 H \nATOM 3753 HD23 LEU L 91 45.662 37.788 38.885 1.00 0.10 H \nATOM 3754 HD11 LEU L 91 43.255 37.749 38.053 1.00 0.10 H \nATOM 3755 HD12 LEU L 91 43.699 36.363 37.001 1.00 0.10 H \nATOM 3756 HD13 LEU L 91 42.327 36.214 38.150 1.00 0.10 H \nATOM 3757 H LEU L 91 42.719 36.727 42.802 1.00 0.27 H \nATOM 3758 N ASP L 92 41.000 34.236 40.158 1.00 -0.52 N \nATOM 3759 CA ASP L 92 40.689 32.816 39.986 1.00 0.04 C \nATOM 3760 C ASP L 92 40.983 31.970 41.224 1.00 0.54 C \nATOM 3761 O ASP L 92 41.658 30.940 41.144 1.00 -0.58 O \nATOM 3762 CB ASP L 92 41.455 32.247 38.788 1.00 -0.03 C \nATOM 3763 CG ASP L 92 40.868 30.946 38.294 1.00 0.80 C \nATOM 3764 OD1 ASP L 92 39.617 30.819 38.281 1.00 -0.80 O \nATOM 3765 OD2 ASP L 92 41.655 30.053 37.908 1.00 -0.80 O \nATOM 3766 HA ASP L 92 39.612 32.737 39.777 1.00 0.09 H \nATOM 3767 HB2 ASP L 92 41.426 32.981 37.969 1.00 -0.01 H \nATOM 3768 HB3 ASP L 92 42.499 32.072 39.087 1.00 -0.01 H \nATOM 3769 H ASP L 92 40.321 34.913 39.874 1.00 0.29 H \nATOM 3770 N ASN L 93 40.467 32.417 42.363 1.00 -0.42 N \nATOM 3771 CA ASN L 93 40.642 31.729 43.634 1.00 0.01 C \nATOM 3772 C ASN L 93 42.102 31.391 43.951 1.00 0.60 C \nATOM 3773 O ASN L 93 42.385 30.396 44.622 1.00 -0.57 O \nATOM 3774 CB ASN L 93 39.801 30.454 43.647 1.00 -0.20 C \nATOM 3775 CG ASN L 93 39.662 29.867 45.035 1.00 0.71 C \nATOM 3776 OD1 ASN L 93 39.344 30.580 45.975 1.00 -0.59 O \nATOM 3777 ND2 ASN L 93 39.891 28.566 45.169 1.00 -0.92 N \nATOM 3778 HA ASN L 93 40.275 32.396 44.428 1.00 0.10 H \nATOM 3779 HB2 ASN L 93 38.798 30.689 43.261 1.00 0.08 H \nATOM 3780 HB3 ASN L 93 40.280 29.709 42.995 1.00 0.08 H \nATOM 3781 HD22 ASN L 93 39.811 28.134 46.067 1.00 0.42 H \nATOM 3782 HD21 ASN L 93 40.143 28.018 44.371 1.00 0.42 H \nATOM 3783 H ASN L 93 39.935 33.263 42.347 1.00 0.27 H \nATOM 3784 N GLY L 94 43.023 32.218 43.463 1.00 -0.42 N \nATOM 3785 CA GLY L 94 44.435 31.997 43.720 1.00 -0.03 C \nATOM 3786 C GLY L 94 44.951 30.690 43.160 1.00 0.60 C \nATOM 3787 O GLY L 94 46.062 30.277 43.496 1.00 -0.57 O \nATOM 3788 HA3 GLY L 94 45.005 32.820 43.265 1.00 0.07 H \nATOM 3789 HA2 GLY L 94 44.595 31.997 44.808 1.00 0.07 H \nATOM 3790 H GLY L 94 42.739 33.002 42.912 1.00 0.27 H \nATOM 3791 N ASP L 95 44.140 30.046 42.314 1.00 -0.52 N \nATOM 3792 CA ASP L 95 44.464 28.761 41.673 1.00 0.04 C \nATOM 3793 C ASP L 95 44.276 27.575 42.636 1.00 0.54 C \nATOM 3794 O ASP L 95 44.647 26.448 42.322 1.00 -0.58 O \nATOM 3795 CB ASP L 95 45.907 28.782 41.134 1.00 -0.03 C \nATOM 3796 CG ASP L 95 46.081 27.981 39.838 1.00 0.80 C \nATOM 3797 OD1 ASP L 95 47.244 27.632 39.528 1.00 -0.80 O \nATOM 3798 OD2 ASP L 95 45.082 27.714 39.125 1.00 -0.80 O \nATOM 3799 HA ASP L 95 43.779 28.622 40.824 1.00 0.09 H \nATOM 3800 HB2 ASP L 95 46.192 29.826 40.940 1.00 -0.01 H \nATOM 3801 HB3 ASP L 95 46.572 28.356 41.900 1.00 -0.01 H \nATOM 3802 H ASP L 95 43.256 30.464 42.103 1.00 0.29 H \nATOM 3803 N CYS L 96 43.705 27.836 43.811 1.00 -0.42 N \nATOM 3804 CA CYS L 96 43.450 26.789 44.812 1.00 0.02 C \nATOM 3805 C CYS L 96 42.207 25.957 44.435 1.00 0.60 C \nATOM 3806 O CYS L 96 41.269 26.489 43.853 1.00 -0.57 O \nATOM 3807 CB CYS L 96 43.189 27.418 46.190 1.00 -0.12 C \nATOM 3808 SG CYS L 96 44.367 28.658 46.726 1.00 -0.31 S \nATOM 3809 HA CYS L 96 44.328 26.129 44.869 1.00 0.11 H \nATOM 3810 HB2 CYS L 96 42.195 27.888 46.162 1.00 0.11 H \nATOM 3811 HB3 CYS L 96 43.191 26.609 46.935 1.00 0.11 H \nATOM 3812 HG CYS L 96 44.103 29.002 47.636 1.00 0.19 H \nATOM 3813 H CYS L 96 43.440 28.777 44.020 1.00 0.27 H \nATOM 3814 N ASP L 97 42.194 24.668 44.778 1.00 -0.52 N \nATOM 3815 CA ASP L 97 41.033 23.812 44.503 1.00 0.04 C \nATOM 3816 C ASP L 97 39.906 24.222 45.442 1.00 0.54 C \nATOM 3817 O ASP L 97 38.728 24.198 45.078 1.00 -0.58 O \nATOM 3818 CB ASP L 97 41.346 22.347 44.787 1.00 -0.03 C \nATOM 3819 CG ASP L 97 41.857 21.607 43.580 1.00 0.80 C \nATOM 3820 OD1 ASP L 97 42.154 22.235 42.543 1.00 -0.80 O \nATOM 3821 OD2 ASP L 97 41.971 20.368 43.672 1.00 -0.80 O \nATOM 3822 HA ASP L 97 40.724 23.932 43.454 1.00 0.09 H \nATOM 3823 HB2 ASP L 97 42.110 22.299 45.576 1.00 -0.01 H \nATOM 3824 HB3 ASP L 97 40.427 21.854 45.136 1.00 -0.01 H \nATOM 3825 H ASP L 97 42.993 24.276 45.233 1.00 0.29 H \nATOM 3826 N GLN L 98 40.279 24.589 46.664 1.00 -0.42 N \nATOM 3827 CA GLN L 98 39.300 24.976 47.668 1.00 -0.00 C \nATOM 3828 C GLN L 98 39.584 26.296 48.382 1.00 0.60 C \nATOM 3829 O GLN L 98 39.501 27.360 47.764 1.00 -0.57 O \nATOM 3830 CB GLN L 98 39.144 23.836 48.682 1.00 -0.00 C \nATOM 3831 CG GLN L 98 38.665 22.546 48.050 1.00 -0.06 C \nATOM 3832 CD GLN L 98 38.667 21.399 49.017 1.00 0.70 C \nATOM 3833 OE1 GLN L 98 38.890 21.586 50.214 1.00 -0.61 O \nATOM 3834 NE2 GLN L 98 38.413 20.197 48.510 1.00 -0.94 N \nATOM 3835 HA GLN L 98 38.339 25.099 47.148 1.00 0.09 H \nATOM 3836 HB2 GLN L 98 40.119 23.653 49.157 1.00 0.02 H \nATOM 3837 HB3 GLN L 98 38.416 24.144 49.447 1.00 0.02 H \nATOM 3838 HG2 GLN L 98 37.640 22.694 47.680 1.00 0.04 H \nATOM 3839 HG3 GLN L 98 39.327 22.298 47.207 1.00 0.04 H \nATOM 3840 HE22 GLN L 98 38.401 19.395 49.107 1.00 0.43 H \nATOM 3841 HE21 GLN L 98 38.234 20.095 47.532 1.00 0.43 H \nATOM 3842 H GLN L 98 41.251 24.599 46.898 1.00 0.27 H \nATOM 3843 N PHE L 99 39.929 26.236 49.670 1.00 -0.42 N \nATOM 3844 CA PHE L 99 40.168 27.453 50.445 1.00 -0.00 C \nATOM 3845 C PHE L 99 41.380 28.238 50.024 1.00 0.60 C \nATOM 3846 O PHE L 99 42.445 27.673 49.782 1.00 -0.57 O \nATOM 3847 CB PHE L 99 40.327 27.143 51.929 1.00 -0.03 C \nATOM 3848 CG PHE L 99 39.267 26.262 52.477 1.00 0.01 C \nATOM 3849 CD1 PHE L 99 37.957 26.376 52.032 1.00 -0.13 C \nATOM 3850 CD2 PHE L 99 39.572 25.316 53.455 1.00 -0.13 C \nATOM 3851 CE1 PHE L 99 36.953 25.558 52.547 1.00 -0.17 C \nATOM 3852 CE2 PHE L 99 38.578 24.493 53.980 1.00 -0.17 C \nATOM 3853 CZ PHE L 99 37.261 24.618 53.519 1.00 -0.11 C \nATOM 3854 HA PHE L 99 39.286 28.097 50.314 1.00 0.10 H \nATOM 3855 HB2 PHE L 99 41.299 26.649 52.077 1.00 0.03 H \nATOM 3856 HB3 PHE L 99 40.310 28.092 52.485 1.00 0.03 H \nATOM 3857 HD2 PHE L 99 40.592 25.220 53.810 1.00 0.13 H \nATOM 3858 HE2 PHE L 99 38.822 23.760 54.741 1.00 0.14 H \nATOM 3859 HZ PHE L 99 36.483 23.980 53.922 1.00 0.13 H \nATOM 3860 HE1 PHE L 99 35.935 25.656 52.189 1.00 0.14 H \nATOM 3861 HD1 PHE L 99 37.712 27.111 51.274 1.00 0.13 H \nATOM 3862 H PHE L 99 40.026 25.344 50.112 1.00 0.27 H \nATOM 3863 N CYS L 100 41.217 29.554 49.974 1.00 -0.42 N \nATOM 3864 CA CYS L 100 42.311 30.433 49.603 1.00 0.02 C \nATOM 3865 C CYS L 100 42.516 31.517 50.660 1.00 0.60 C \nATOM 3866 O CYS L 100 41.557 32.147 51.115 1.00 -0.57 O \nATOM 3867 CB CYS L 100 42.037 31.082 48.246 1.00 -0.12 C \nATOM 3868 SG CYS L 100 43.505 31.812 47.489 1.00 -0.31 S \nATOM 3869 HA CYS L 100 43.231 29.834 49.529 1.00 0.11 H \nATOM 3870 HB2 CYS L 100 41.640 30.314 47.566 1.00 0.11 H \nATOM 3871 HB3 CYS L 100 41.286 31.874 48.384 1.00 0.11 H \nATOM 3872 HG CYS L 100 43.257 32.221 46.602 1.00 0.19 H \nATOM 3873 H CYS L 100 40.325 29.947 50.196 1.00 0.27 H \nATOM 3874 N HIS L 101 43.777 31.709 51.045 1.00 -0.42 N \nATOM 3875 CA HIS L 101 44.184 32.706 52.033 1.00 0.02 C \nATOM 3876 C HIS L 101 45.325 33.568 51.482 1.00 0.60 C \nATOM 3877 O HIS L 101 46.225 33.069 50.806 1.00 -0.57 O \nATOM 3878 CB HIS L 101 44.687 32.026 53.309 1.00 -0.05 C \nATOM 3879 CG HIS L 101 43.613 31.400 54.140 1.00 -0.03 C \nATOM 3880 ND1 HIS L 101 42.612 32.133 54.743 1.00 -0.38 N \nATOM 3881 CD2 HIS L 101 43.410 30.112 54.508 1.00 0.13 C \nATOM 3882 CE1 HIS L 101 41.841 31.326 55.450 1.00 0.21 C \nATOM 3883 NE2 HIS L 101 42.304 30.094 55.325 1.00 -0.57 N \nATOM 3884 HA HIS L 101 43.322 33.346 52.273 1.00 0.09 H \nATOM 3885 HB2 HIS L 101 45.401 31.241 53.022 1.00 0.04 H \nATOM 3886 HB3 HIS L 101 45.200 32.782 53.922 1.00 0.04 H \nATOM 3887 HD2 HIS L 101 44.010 29.253 54.212 1.00 0.11 H \nATOM 3888 HE1 HIS L 101 40.973 31.625 56.036 1.00 0.14 H \nATOM 3889 HD1 HIS L 101 42.485 33.151 54.656 1.00 0.36 H \nATOM 3890 H HIS L 101 44.487 31.137 50.634 1.00 0.27 H \nATOM 3891 N GLU L 102 45.285 34.861 51.783 1.00 -0.52 N \nATOM 3892 CA GLU L 102 46.329 35.782 51.353 1.00 0.04 C \nATOM 3893 C GLU L 102 47.198 36.089 52.574 1.00 0.54 C \nATOM 3894 O GLU L 102 46.730 36.679 53.549 1.00 -0.58 O \nATOM 3895 CB GLU L 102 45.705 37.063 50.793 1.00 0.06 C \nATOM 3896 CG GLU L 102 45.275 36.953 49.333 1.00 0.01 C \nATOM 3897 CD GLU L 102 44.271 38.015 48.909 1.00 0.81 C \nATOM 3898 OE1 GLU L 102 44.310 39.134 49.459 1.00 -0.82 O \nATOM 3899 OE2 GLU L 102 43.447 37.739 48.013 1.00 -0.82 O \nATOM 3900 HA GLU L 102 46.943 35.310 50.572 1.00 0.11 H \nATOM 3901 HB2 GLU L 102 44.820 37.310 51.397 1.00 -0.02 H \nATOM 3902 HB3 GLU L 102 46.444 37.874 50.876 1.00 -0.02 H \nATOM 3903 HG2 GLU L 102 46.169 37.048 48.700 1.00 -0.04 H \nATOM 3904 HG3 GLU L 102 44.820 35.964 49.179 1.00 -0.04 H \nATOM 3905 H GLU L 102 44.517 35.212 52.319 1.00 0.29 H \nATOM 3906 N GLU L 103 48.452 35.653 52.528 1.00 -0.52 N \nATOM 3907 CA GLU L 103 49.396 35.878 53.619 1.00 0.04 C \nATOM 3908 C GLU L 103 50.694 36.426 53.037 1.00 0.54 C \nATOM 3909 O GLU L 103 51.365 35.743 52.263 1.00 -0.58 O \nATOM 3910 CB GLU L 103 49.675 34.566 54.359 1.00 0.06 C \nATOM 3911 CG GLU L 103 48.452 33.969 55.049 1.00 0.01 C \nATOM 3912 CD GLU L 103 48.731 32.601 55.665 1.00 0.81 C \nATOM 3913 OE1 GLU L 103 49.809 32.433 56.281 1.00 -0.82 O \nATOM 3914 OE2 GLU L 103 47.869 31.701 55.541 1.00 -0.82 O \nATOM 3915 HA GLU L 103 48.972 36.608 54.324 1.00 0.11 H \nATOM 3916 HB2 GLU L 103 50.054 33.833 53.632 1.00 -0.02 H \nATOM 3917 HB3 GLU L 103 50.444 34.756 55.122 1.00 -0.02 H \nATOM 3918 HG2 GLU L 103 48.128 34.654 55.846 1.00 -0.04 H \nATOM 3919 HG3 GLU L 103 47.647 33.863 54.307 1.00 -0.04 H \nATOM 3920 H GLU L 103 48.760 35.153 51.718 1.00 0.29 H \nATOM 3921 N GLN L 104 51.048 37.656 53.406 1.00 -0.42 N \nATOM 3922 CA GLN L 104 52.270 38.272 52.899 1.00 -0.00 C \nATOM 3923 C GLN L 104 52.214 38.344 51.379 1.00 0.60 C \nATOM 3924 O GLN L 104 53.103 37.833 50.691 1.00 -0.57 O \nATOM 3925 CB GLN L 104 53.492 37.454 53.327 1.00 -0.00 C \nATOM 3926 CG GLN L 104 53.877 37.630 54.779 1.00 -0.06 C \nATOM 3927 CD GLN L 104 54.346 39.041 55.071 1.00 0.70 C \nATOM 3928 OE1 GLN L 104 53.556 39.988 55.075 1.00 -0.61 O \nATOM 3929 NE2 GLN L 104 55.645 39.192 55.303 1.00 -0.94 N \nATOM 3930 HA GLN L 104 52.356 39.290 53.307 1.00 0.09 H \nATOM 3931 HB2 GLN L 104 53.273 36.390 53.155 1.00 0.02 H \nATOM 3932 HB3 GLN L 104 54.346 37.758 52.704 1.00 0.02 H \nATOM 3933 HG2 GLN L 104 53.003 37.408 55.408 1.00 0.04 H \nATOM 3934 HG3 GLN L 104 54.689 36.928 55.019 1.00 0.04 H \nATOM 3935 HE22 GLN L 104 56.015 40.099 55.502 1.00 0.43 H \nATOM 3936 HE21 GLN L 104 56.253 38.398 55.279 1.00 0.43 H \nATOM 3937 H GLN L 104 50.467 38.166 54.041 1.00 0.27 H \nATOM 3938 N ASN L 105 51.167 38.982 50.864 1.00 -0.42 N \nATOM 3939 CA ASN L 105 50.968 39.116 49.423 1.00 0.01 C \nATOM 3940 C ASN L 105 51.152 37.809 48.667 1.00 0.60 C \nATOM 3941 O ASN L 105 51.413 37.819 47.465 1.00 -0.57 O \nATOM 3942 CB ASN L 105 51.919 40.152 48.829 1.00 -0.20 C \nATOM 3943 CG ASN L 105 51.728 41.523 49.426 1.00 0.71 C \nATOM 3944 OD1 ASN L 105 52.294 41.836 50.473 1.00 -0.59 O \nATOM 3945 ND2 ASN L 105 50.915 42.350 48.772 1.00 -0.92 N \nATOM 3946 HA ASN L 105 49.935 39.459 49.263 1.00 0.10 H \nATOM 3947 HB2 ASN L 105 52.954 39.828 49.014 1.00 0.08 H \nATOM 3948 HB3 ASN L 105 51.742 40.212 47.745 1.00 0.08 H \nATOM 3949 HD22 ASN L 105 50.752 43.272 49.123 1.00 0.42 H \nATOM 3950 HD21 ASN L 105 50.468 42.049 47.930 1.00 0.42 H \nATOM 3951 H ASN L 105 50.493 39.384 51.484 1.00 0.27 H \nATOM 3952 N SER L 106 51.018 36.689 49.365 1.00 -0.42 N \nATOM 3953 CA SER L 106 51.174 35.387 48.730 1.00 -0.02 C \nATOM 3954 C SER L 106 49.905 34.573 48.934 1.00 0.60 C \nATOM 3955 O SER L 106 49.217 34.732 49.937 1.00 -0.57 O \nATOM 3956 CB SER L 106 52.373 34.640 49.330 1.00 0.21 C \nATOM 3957 OG SER L 106 52.674 33.470 48.588 1.00 -0.65 O \nATOM 3958 HA SER L 106 51.343 35.530 47.653 1.00 0.08 H \nATOM 3959 HB2 SER L 106 53.250 35.305 49.323 1.00 0.04 H \nATOM 3960 HB3 SER L 106 52.137 34.356 50.366 1.00 0.04 H \nATOM 3961 HG SER L 106 53.418 33.029 48.981 1.00 0.43 H \nATOM 3962 H SER L 106 50.807 36.739 50.341 1.00 0.27 H \nATOM 3963 N VAL L 107 49.578 33.711 47.982 1.00 -0.42 N \nATOM 3964 CA VAL L 107 48.389 32.897 48.139 1.00 -0.09 C \nATOM 3965 C VAL L 107 48.735 31.628 48.891 1.00 0.60 C \nATOM 3966 O VAL L 107 49.780 31.018 48.652 1.00 -0.57 O \nATOM 3967 CB VAL L 107 47.760 32.527 46.779 1.00 0.30 C \nATOM 3968 CG1 VAL L 107 46.809 31.334 46.940 1.00 -0.32 C \nATOM 3969 CG2 VAL L 107 46.993 33.718 46.234 1.00 -0.32 C \nATOM 3970 HA VAL L 107 47.651 33.468 48.722 1.00 0.10 H \nATOM 3971 HB VAL L 107 48.560 32.257 46.074 1.00 -0.03 H \nATOM 3972 HG11 VAL L 107 46.014 31.593 47.655 1.00 0.08 H \nATOM 3973 HG12 VAL L 107 46.361 31.088 45.966 1.00 0.08 H \nATOM 3974 HG13 VAL L 107 47.370 30.466 47.315 1.00 0.08 H \nATOM 3975 HG21 VAL L 107 47.678 34.570 46.111 1.00 0.08 H \nATOM 3976 HG22 VAL L 107 46.554 33.457 45.260 1.00 0.08 H \nATOM 3977 HG23 VAL L 107 46.192 33.991 46.936 1.00 0.08 H \nATOM 3978 H VAL L 107 50.146 33.623 47.164 1.00 0.27 H \nATOM 3979 N VAL L 108 47.864 31.254 49.823 1.00 -0.42 N \nATOM 3980 CA VAL L 108 48.044 30.027 50.592 1.00 -0.09 C \nATOM 3981 C VAL L 108 46.753 29.226 50.446 1.00 0.60 C \nATOM 3982 O VAL L 108 45.679 29.683 50.849 1.00 -0.57 O \nATOM 3983 CB VAL L 108 48.311 30.294 52.095 1.00 0.30 C \nATOM 3984 CG1 VAL L 108 48.688 28.992 52.785 1.00 -0.32 C \nATOM 3985 CG2 VAL L 108 49.426 31.319 52.260 1.00 -0.32 C \nATOM 3986 HA VAL L 108 48.889 29.458 50.177 1.00 0.10 H \nATOM 3987 HB VAL L 108 47.394 30.690 52.556 1.00 -0.03 H \nATOM 3988 HG11 VAL L 108 49.590 28.575 52.313 1.00 0.08 H \nATOM 3989 HG12 VAL L 108 48.887 29.185 53.849 1.00 0.08 H \nATOM 3990 HG13 VAL L 108 47.860 28.274 52.691 1.00 0.08 H \nATOM 3991 HG21 VAL L 108 49.137 32.258 51.766 1.00 0.08 H \nATOM 3992 HG22 VAL L 108 49.597 31.506 53.330 1.00 0.08 H \nATOM 3993 HG23 VAL L 108 50.349 30.933 51.803 1.00 0.08 H \nATOM 3994 H VAL L 108 47.065 31.828 50.002 1.00 0.27 H \nATOM 3995 N CYS L 109 46.865 28.046 49.834 1.00 -0.42 N \nATOM 3996 CA CYS L 109 45.722 27.162 49.616 1.00 0.02 C \nATOM 3997 C CYS L 109 45.609 26.179 50.764 1.00 0.60 C \nATOM 3998 O CYS L 109 46.606 25.828 51.383 1.00 -0.57 O \nATOM 3999 CB CYS L 109 45.898 26.349 48.328 1.00 -0.12 C \nATOM 4000 SG CYS L 109 46.347 27.298 46.855 1.00 -0.31 S \nATOM 4001 HA CYS L 109 44.805 27.766 49.550 1.00 0.11 H \nATOM 4002 HB2 CYS L 109 46.688 25.604 48.504 1.00 0.11 H \nATOM 4003 HB3 CYS L 109 44.948 25.834 48.121 1.00 0.11 H \nATOM 4004 HG CYS L 109 46.438 26.674 46.068 1.00 0.19 H \nATOM 4005 H CYS L 109 47.766 27.755 49.512 1.00 0.27 H \nATOM 4006 N SER L 110 44.392 25.719 51.021 1.00 -0.42 N \nATOM 4007 CA SER L 110 44.136 24.736 52.061 1.00 -0.02 C \nATOM 4008 C SER L 110 42.884 23.958 51.640 1.00 0.60 C \nATOM 4009 O SER L 110 42.194 24.351 50.702 1.00 -0.57 O \nATOM 4010 CB SER L 110 43.938 25.423 53.415 1.00 0.21 C \nATOM 4011 OG SER L 110 43.028 26.494 53.313 1.00 -0.65 O \nATOM 4012 HA SER L 110 44.989 24.046 52.136 1.00 0.08 H \nATOM 4013 HB2 SER L 110 43.550 24.689 54.137 1.00 0.04 H \nATOM 4014 HB3 SER L 110 44.906 25.807 53.768 1.00 0.04 H \nATOM 4015 HG SER L 110 42.923 26.902 54.164 1.00 0.43 H \nATOM 4016 H SER L 110 43.623 26.060 50.480 1.00 0.27 H \nATOM 4017 N CYS L 111 42.582 22.863 52.325 1.00 -0.42 N \nATOM 4018 CA CYS L 111 41.431 22.051 51.953 1.00 0.02 C \nATOM 4019 C CYS L 111 40.487 21.811 53.118 1.00 0.60 C \nATOM 4020 O CYS L 111 40.770 22.184 54.262 1.00 -0.57 O \nATOM 4021 CB CYS L 111 41.896 20.691 51.430 1.00 -0.12 C \nATOM 4022 SG CYS L 111 43.433 20.730 50.482 1.00 -0.31 S \nATOM 4023 HA CYS L 111 40.882 22.575 51.157 1.00 0.11 H \nATOM 4024 HB2 CYS L 111 42.043 20.024 52.293 1.00 0.11 H \nATOM 4025 HB3 CYS L 111 41.105 20.284 50.783 1.00 0.11 H \nATOM 4026 HG CYS L 111 43.664 19.797 50.178 1.00 0.19 H \nATOM 4027 H CYS L 111 43.149 22.593 53.103 1.00 0.27 H \nATOM 4028 N ALA L 112 39.361 21.175 52.806 1.00 -0.42 N \nATOM 4029 CA ALA L 112 38.347 20.836 53.796 1.00 0.03 C \nATOM 4030 C ALA L 112 38.834 19.600 54.546 1.00 0.60 C \nATOM 4031 O ALA L 112 39.776 18.931 54.113 1.00 -0.57 O \nATOM 4032 CB ALA L 112 37.022 20.547 53.100 1.00 -0.18 C \nATOM 4033 HA ALA L 112 38.215 21.671 54.499 1.00 0.08 H \nATOM 4034 HB1 ALA L 112 36.261 20.292 53.852 1.00 0.06 H \nATOM 4035 HB2 ALA L 112 36.700 21.437 52.540 1.00 0.06 H \nATOM 4036 HB3 ALA L 112 37.149 19.703 52.406 1.00 0.06 H \nATOM 4037 H ALA L 112 39.204 20.919 51.852 1.00 0.27 H \nATOM 4038 N ARG L 113 38.191 19.302 55.667 1.00 -0.35 N \nATOM 4039 CA ARG L 113 38.559 18.147 56.466 1.00 -0.26 C \nATOM 4040 C ARG L 113 38.347 16.936 55.566 1.00 0.73 C \nATOM 4041 O ARG L 113 37.330 16.847 54.882 1.00 -0.59 O \nATOM 4042 CB ARG L 113 37.657 18.043 57.703 1.00 -0.00 C \nATOM 4043 CG ARG L 113 37.521 19.324 58.560 1.00 0.04 C \nATOM 4044 CD ARG L 113 37.049 20.568 57.768 1.00 0.05 C \nATOM 4045 NE ARG L 113 35.984 20.292 56.796 1.00 -0.53 N \nATOM 4046 CZ ARG L 113 34.793 19.777 57.104 1.00 0.81 C \nATOM 4047 NH1 ARG L 113 34.510 19.481 58.368 1.00 -0.86 N \nATOM 4048 NH2 ARG L 113 33.887 19.551 56.153 1.00 -0.86 N \nATOM 4049 HA ARG L 113 39.611 18.216 56.780 1.00 0.16 H \nATOM 4050 HB2 ARG L 113 36.651 17.759 57.361 1.00 0.03 H \nATOM 4051 HB3 ARG L 113 38.062 17.249 58.348 1.00 0.03 H \nATOM 4052 HG2 ARG L 113 36.793 19.128 59.361 1.00 0.03 H \nATOM 4053 HG3 ARG L 113 38.502 19.549 59.003 1.00 0.03 H \nATOM 4054 HD2 ARG L 113 36.677 21.314 58.486 1.00 0.07 H \nATOM 4055 HD3 ARG L 113 37.913 20.980 57.226 1.00 0.07 H \nATOM 4056 HE ARG L 113 36.170 20.511 55.807 1.00 0.35 H \nATOM 4057 HH12 ARG L 113 33.591 19.083 58.611 1.00 0.45 H \nATOM 4058 HH11 ARG L 113 35.209 19.649 59.105 1.00 0.45 H \nATOM 4059 HH22 ARG L 113 32.970 19.153 56.400 1.00 0.45 H \nATOM 4060 HH21 ARG L 113 34.104 19.774 55.171 1.00 0.45 H \nATOM 4061 H ARG L 113 37.437 19.885 55.968 1.00 0.27 H \nATOM 4062 N GLY L 114 39.305 16.013 55.550 1.00 -0.42 N \nATOM 4063 CA GLY L 114 39.170 14.835 54.710 1.00 -0.03 C \nATOM 4064 C GLY L 114 39.917 14.929 53.392 1.00 0.60 C \nATOM 4065 O GLY L 114 39.856 14.021 52.562 1.00 -0.57 O \nATOM 4066 HA3 GLY L 114 39.556 13.968 55.266 1.00 0.07 H \nATOM 4067 HA2 GLY L 114 38.102 14.685 54.493 1.00 0.07 H \nATOM 4068 H GLY L 114 40.120 16.130 56.117 1.00 0.27 H \nATOM 4069 N TYR L 115 40.619 16.038 53.195 1.00 -0.42 N \nATOM 4070 CA TYR L 115 41.389 16.253 51.979 1.00 -0.00 C \nATOM 4071 C TYR L 115 42.812 16.589 52.367 1.00 0.60 C \nATOM 4072 O TYR L 115 43.051 17.151 53.437 1.00 -0.57 O \nATOM 4073 CB TYR L 115 40.817 17.417 51.168 1.00 -0.02 C \nATOM 4074 CG TYR L 115 39.535 17.109 50.442 1.00 -0.00 C \nATOM 4075 CD1 TYR L 115 39.544 16.754 49.093 1.00 -0.19 C \nATOM 4076 CD2 TYR L 115 38.310 17.181 51.099 1.00 -0.19 C \nATOM 4077 CE1 TYR L 115 38.360 16.481 48.415 1.00 -0.23 C \nATOM 4078 CE2 TYR L 115 37.117 16.908 50.431 1.00 -0.23 C \nATOM 4079 CZ TYR L 115 37.147 16.560 49.092 1.00 0.32 C \nATOM 4080 OH TYR L 115 35.972 16.301 48.424 1.00 -0.56 O \nATOM 4081 HA TYR L 115 41.373 15.338 51.368 1.00 0.09 H \nATOM 4082 HB3 TYR L 115 40.628 18.254 51.856 1.00 0.03 H \nATOM 4083 HB2 TYR L 115 41.569 17.717 50.423 1.00 0.03 H \nATOM 4084 HD2 TYR L 115 38.283 17.454 52.148 1.00 0.17 H \nATOM 4085 HE2 TYR L 115 36.171 16.968 50.958 1.00 0.17 H \nATOM 4086 HE1 TYR L 115 38.382 16.209 47.366 1.00 0.17 H \nATOM 4087 HD1 TYR L 115 40.488 16.690 48.565 1.00 0.17 H \nATOM 4088 HH TYR L 115 36.164 16.078 47.521 1.00 0.40 H \nATOM 4089 H TYR L 115 40.619 16.745 53.902 1.00 0.27 H \nATOM 4090 N THR L 116 43.749 16.253 51.486 1.00 -0.42 N \nATOM 4091 CA THR L 116 45.165 16.523 51.703 1.00 -0.04 C \nATOM 4092 C THR L 116 45.642 17.476 50.615 1.00 0.60 C \nATOM 4093 O THR L 116 45.351 17.259 49.439 1.00 -0.57 O \nATOM 4094 CB THR L 116 45.993 15.243 51.576 1.00 0.37 C \nATOM 4095 OG1 THR L 116 45.449 14.235 52.438 1.00 -0.68 O \nATOM 4096 CG2 THR L 116 47.436 15.509 51.962 1.00 -0.24 C \nATOM 4097 HA THR L 116 45.311 16.969 52.698 1.00 0.10 H \nATOM 4098 HB THR L 116 45.956 14.891 50.535 1.00 0.00 H \nATOM 4099 HG1 THR L 116 45.963 13.440 52.359 1.00 0.41 H \nATOM 4100 HG23 THR L 116 48.036 15.663 51.053 1.00 0.06 H \nATOM 4101 HG21 THR L 116 47.487 16.409 52.592 1.00 0.06 H \nATOM 4102 HG22 THR L 116 47.831 14.648 52.521 1.00 0.06 H \nATOM 4103 H THR L 116 43.471 15.797 50.641 1.00 0.27 H \nATOM 4104 N LEU L 117 46.367 18.525 50.990 1.00 -0.42 N \nATOM 4105 CA LEU L 117 46.881 19.449 49.983 1.00 -0.05 C \nATOM 4106 C LEU L 117 47.927 18.685 49.159 1.00 0.60 C \nATOM 4107 O LEU L 117 48.842 18.069 49.722 1.00 -0.57 O \nATOM 4108 CB LEU L 117 47.515 20.674 50.655 1.00 -0.11 C \nATOM 4109 CG LEU L 117 47.746 21.935 49.807 1.00 0.35 C \nATOM 4110 CD1 LEU L 117 46.426 22.397 49.180 1.00 -0.41 C \nATOM 4111 CD2 LEU L 117 48.348 23.041 50.681 1.00 -0.41 C \nATOM 4112 HA LEU L 117 46.061 19.781 49.329 1.00 0.09 H \nATOM 4113 HB2 LEU L 117 46.862 20.960 51.492 1.00 0.05 H \nATOM 4114 HB3 LEU L 117 48.495 20.360 51.045 1.00 0.05 H \nATOM 4115 HG LEU L 117 48.455 21.697 49.000 1.00 -0.04 H \nATOM 4116 HD21 LEU L 117 49.303 22.695 51.104 1.00 0.10 H \nATOM 4117 HD22 LEU L 117 48.522 23.938 50.069 1.00 0.10 H \nATOM 4118 HD23 LEU L 117 47.652 23.283 51.497 1.00 0.10 H \nATOM 4119 HD11 LEU L 117 45.699 22.615 49.976 1.00 0.10 H \nATOM 4120 HD12 LEU L 117 46.601 23.305 48.584 1.00 0.10 H \nATOM 4121 HD13 LEU L 117 46.031 21.602 48.530 1.00 0.10 H \nATOM 4122 H LEU L 117 46.560 18.681 51.959 1.00 0.27 H \nATOM 4123 N ALA L 118 47.769 18.701 47.836 1.00 -0.42 N \nATOM 4124 CA ALA L 118 48.679 18.016 46.921 1.00 0.03 C \nATOM 4125 C ALA L 118 50.050 18.657 46.995 1.00 0.60 C \nATOM 4126 O ALA L 118 50.208 19.706 47.615 1.00 -0.57 O \nATOM 4127 CB ALA L 118 48.141 18.097 45.495 1.00 -0.18 C \nATOM 4128 HA ALA L 118 48.759 16.959 47.215 1.00 0.08 H \nATOM 4129 HB1 ALA L 118 48.831 17.579 44.813 1.00 0.06 H \nATOM 4130 HB2 ALA L 118 47.152 17.618 45.449 1.00 0.06 H \nATOM 4131 HB3 ALA L 118 48.052 19.152 45.196 1.00 0.06 H \nATOM 4132 H ALA L 118 46.994 19.204 47.453 1.00 0.27 H \nATOM 4133 N ASP L 119 51.035 18.036 46.348 1.00 -0.52 N \nATOM 4134 CA ASP L 119 52.406 18.552 46.355 1.00 0.04 C \nATOM 4135 C ASP L 119 52.563 19.945 45.771 1.00 0.54 C \nATOM 4136 O ASP L 119 53.467 20.675 46.175 1.00 -0.58 O \nATOM 4137 CB ASP L 119 53.357 17.600 45.624 1.00 -0.03 C \nATOM 4138 CG ASP L 119 53.549 16.291 46.365 1.00 0.80 C \nATOM 4139 OD1 ASP L 119 53.835 16.337 47.590 1.00 -0.80 O \nATOM 4140 OD2 ASP L 119 53.423 15.215 45.724 1.00 -0.80 O \nATOM 4141 HA ASP L 119 52.721 18.603 47.408 1.00 0.09 H \nATOM 4142 HB2 ASP L 119 52.944 17.384 44.628 1.00 -0.01 H \nATOM 4143 HB3 ASP L 119 54.335 18.092 45.517 1.00 -0.01 H \nATOM 4144 H ASP L 119 50.833 17.196 45.845 1.00 0.29 H \nATOM 4145 N ASN L 120 51.697 20.319 44.829 1.00 -0.42 N \nATOM 4146 CA ASN L 120 51.778 21.648 44.222 1.00 0.01 C \nATOM 4147 C ASN L 120 51.260 22.749 45.158 1.00 0.60 C \nATOM 4148 O ASN L 120 51.335 23.942 44.844 1.00 -0.57 O \nATOM 4149 CB ASN L 120 51.021 21.689 42.874 1.00 -0.20 C \nATOM 4150 CG ASN L 120 49.556 21.259 42.985 1.00 0.71 C \nATOM 4151 OD1 ASN L 120 48.954 21.287 44.061 1.00 -0.59 O \nATOM 4152 ND2 ASN L 120 48.975 20.875 41.853 1.00 -0.92 N \nATOM 4153 HA ASN L 120 52.839 21.855 44.020 1.00 0.10 H \nATOM 4154 HB2 ASN L 120 51.054 22.718 42.487 1.00 0.08 H \nATOM 4155 HB3 ASN L 120 51.529 21.016 42.168 1.00 0.08 H \nATOM 4156 HD22 ASN L 120 48.019 20.582 41.856 1.00 0.42 H \nATOM 4157 HD21 ASN L 120 49.494 20.879 40.998 1.00 0.42 H \nATOM 4158 H ASN L 120 50.983 19.684 44.534 1.00 0.27 H \nATOM 4159 N GLY L 121 50.736 22.340 46.308 1.00 -0.42 N \nATOM 4160 CA GLY L 121 50.220 23.301 47.265 1.00 -0.03 C \nATOM 4161 C GLY L 121 48.977 24.026 46.787 1.00 0.60 C \nATOM 4162 O GLY L 121 48.701 25.147 47.228 1.00 -0.57 O \nATOM 4163 HA3 GLY L 121 49.976 22.768 48.196 1.00 0.07 H \nATOM 4164 HA2 GLY L 121 51.003 24.048 47.465 1.00 0.07 H \nATOM 4165 H GLY L 121 50.697 21.363 46.516 1.00 0.27 H \nATOM 4166 N LYS L 122 48.227 23.387 45.891 1.00 -0.35 N \nATOM 4167 CA LYS L 122 47.008 23.972 45.337 1.00 -0.24 C \nATOM 4168 C LYS L 122 45.839 22.992 45.299 1.00 0.73 C \nATOM 4169 O LYS L 122 44.738 23.312 45.751 1.00 -0.59 O \nATOM 4170 CB LYS L 122 47.275 24.488 43.928 1.00 -0.01 C \nATOM 4171 CG LYS L 122 48.317 25.580 43.891 1.00 0.02 C \nATOM 4172 CD LYS L 122 48.476 26.131 42.495 1.00 -0.05 C \nATOM 4173 CE LYS L 122 49.408 27.314 42.490 1.00 -0.01 C \nATOM 4174 NZ LYS L 122 49.580 27.817 41.112 1.00 -0.39 N \nATOM 4175 HA LYS L 122 46.720 24.821 45.974 1.00 0.14 H \nATOM 4176 HB2 LYS L 122 47.623 23.649 43.307 1.00 0.04 H \nATOM 4177 HB3 LYS L 122 46.336 24.885 43.515 1.00 0.04 H \nATOM 4178 HG2 LYS L 122 48.010 26.393 44.565 1.00 0.01 H \nATOM 4179 HG3 LYS L 122 49.280 25.169 44.227 1.00 0.01 H \nATOM 4180 HD2 LYS L 122 48.886 25.346 41.842 1.00 0.06 H \nATOM 4181 HD3 LYS L 122 47.492 26.446 42.117 1.00 0.06 H \nATOM 4182 HE2 LYS L 122 48.987 28.112 43.119 1.00 0.11 H \nATOM 4183 HE3 LYS L 122 50.386 27.009 42.891 1.00 0.11 H \nATOM 4184 HZ1 LYS L 122 48.684 28.090 40.740 1.00 0.34 H \nATOM 4185 HZ2 LYS L 122 50.197 28.614 41.120 1.00 0.34 H \nATOM 4186 HZ3 LYS L 122 49.976 27.091 40.536 1.00 0.34 H \nATOM 4187 H LYS L 122 48.507 22.476 45.587 1.00 0.27 H \nATOM 4188 N ALA L 123 46.083 21.802 44.754 1.00 -0.42 N \nATOM 4189 CA ALA L 123 45.043 20.779 44.639 1.00 0.03 C \nATOM 4190 C ALA L 123 44.754 20.087 45.969 1.00 0.60 C \nATOM 4191 O ALA L 123 45.631 19.954 46.813 1.00 -0.57 O \nATOM 4192 CB ALA L 123 45.440 19.732 43.570 1.00 -0.18 C \nATOM 4193 HA ALA L 123 44.118 21.275 44.310 1.00 0.08 H \nATOM 4194 HB1 ALA L 123 44.651 18.969 43.493 1.00 0.06 H \nATOM 4195 HB2 ALA L 123 45.564 20.230 42.597 1.00 0.06 H \nATOM 4196 HB3 ALA L 123 46.387 19.253 43.860 1.00 0.06 H \nATOM 4197 H ALA L 123 47.002 21.602 44.414 1.00 0.27 H \nATOM 4198 N CYS L 124 43.510 19.654 46.145 1.00 -0.42 N \nATOM 4199 CA CYS L 124 43.087 18.968 47.359 1.00 0.02 C \nATOM 4200 C CYS L 124 42.792 17.508 47.007 1.00 0.60 C \nATOM 4201 O CYS L 124 41.989 17.238 46.114 1.00 -0.57 O \nATOM 4202 CB CYS L 124 41.822 19.632 47.914 1.00 -0.12 C \nATOM 4203 SG CYS L 124 41.990 21.384 48.367 1.00 -0.31 S \nATOM 4204 HA CYS L 124 43.887 19.015 48.112 1.00 0.11 H \nATOM 4205 HB2 CYS L 124 41.035 19.554 47.149 1.00 0.11 H \nATOM 4206 HB3 CYS L 124 41.515 19.078 48.813 1.00 0.11 H \nATOM 4207 HG CYS L 124 41.110 21.726 48.719 1.00 0.19 H \nATOM 4208 H CYS L 124 42.840 19.804 45.418 1.00 0.27 H \nATOM 4209 N ILE L 125 43.437 16.579 47.712 1.00 -0.42 N \nATOM 4210 CA ILE L 125 43.265 15.143 47.463 1.00 -0.06 C \nATOM 4211 C ILE L 125 42.502 14.450 48.593 1.00 0.60 C \nATOM 4212 O ILE L 125 42.826 14.615 49.770 1.00 -0.57 O \nATOM 4213 CB ILE L 125 44.639 14.414 47.319 1.00 0.13 C \nATOM 4214 CG1 ILE L 125 45.587 15.211 46.411 1.00 -0.04 C \nATOM 4215 CG2 ILE L 125 44.430 13.004 46.759 1.00 -0.32 C \nATOM 4216 CD1 ILE L 125 45.098 15.415 44.980 1.00 -0.07 C \nATOM 4217 HA ILE L 125 42.699 15.026 46.527 1.00 0.09 H \nATOM 4218 HB ILE L 125 45.097 14.332 48.316 1.00 0.02 H \nATOM 4219 HG12 ILE L 125 45.738 16.202 46.863 1.00 0.02 H \nATOM 4220 HG13 ILE L 125 46.548 14.677 46.369 1.00 0.02 H \nATOM 4221 HD11 ILE L 125 44.139 15.953 44.993 1.00 0.02 H \nATOM 4222 HD12 ILE L 125 45.840 16.002 44.419 1.00 0.02 H \nATOM 4223 HD13 ILE L 125 44.963 14.437 44.496 1.00 0.02 H \nATOM 4224 HG21 ILE L 125 43.941 13.069 45.776 1.00 0.09 H \nATOM 4225 HG22 ILE L 125 45.404 12.504 46.652 1.00 0.09 H \nATOM 4226 HG23 ILE L 125 43.795 12.427 47.447 1.00 0.09 H \nATOM 4227 H ILE L 125 44.061 16.871 48.437 1.00 0.27 H \nATOM 4228 N PRO L 126 41.476 13.658 48.247 1.00 -0.25 N \nATOM 4229 CA PRO L 126 40.696 12.955 49.265 1.00 -0.03 C \nATOM 4230 C PRO L 126 41.575 11.924 49.955 1.00 0.59 C \nATOM 4231 O PRO L 126 42.232 11.126 49.285 1.00 -0.57 O \nATOM 4232 CB PRO L 126 39.592 12.282 48.455 1.00 -0.01 C \nATOM 4233 CG PRO L 126 39.439 13.166 47.278 1.00 0.02 C \nATOM 4234 CD PRO L 126 40.871 13.471 46.919 1.00 0.02 C \nATOM 4235 HA PRO L 126 40.278 13.651 50.007 1.00 0.06 H \nATOM 4236 HD3 PRO L 126 40.947 14.385 46.311 1.00 0.04 H \nATOM 4237 HD2 PRO L 126 41.337 12.633 46.380 1.00 0.04 H \nATOM 4238 HG3 PRO L 126 38.889 14.083 47.537 1.00 0.02 H \nATOM 4239 HG2 PRO L 126 38.923 12.649 46.455 1.00 0.02 H \nATOM 4240 HB2 PRO L 126 39.891 11.268 48.149 1.00 0.03 H \nATOM 4241 HB3 PRO L 126 38.657 12.230 49.032 1.00 0.03 H \nATOM 4242 N THR L 127 41.581 11.934 51.283 1.00 -0.42 N \nATOM 4243 CA THR L 127 42.381 10.983 52.045 1.00 -0.04 C \nATOM 4244 C THR L 127 41.775 9.585 52.014 1.00 0.60 C \nATOM 4245 O THR L 127 42.496 8.595 51.930 1.00 -0.57 O \nATOM 4246 CB THR L 127 42.497 11.400 53.513 1.00 0.37 C \nATOM 4247 OG1 THR L 127 41.190 11.449 54.099 1.00 -0.68 O \nATOM 4248 CG2 THR L 127 43.156 12.759 53.627 1.00 -0.24 C \nATOM 4249 HA THR L 127 43.387 10.947 51.601 1.00 0.10 H \nATOM 4250 HB THR L 127 43.107 10.659 54.050 1.00 0.00 H \nATOM 4251 HG1 THR L 127 41.261 11.708 55.010 1.00 0.41 H \nATOM 4252 HG23 THR L 127 44.223 12.631 53.863 1.00 0.06 H \nATOM 4253 HG21 THR L 127 43.054 13.297 52.673 1.00 0.06 H \nATOM 4254 HG22 THR L 127 42.670 13.336 54.427 1.00 0.06 H \nATOM 4255 H THR L 127 41.025 12.608 51.770 1.00 0.27 H \nATOM 4256 N GLY L 128 40.453 9.502 52.089 1.00 -0.42 N \nATOM 4257 CA GLY L 128 39.818 8.205 52.074 1.00 -0.03 C \nATOM 4258 C GLY L 128 38.594 8.153 51.188 1.00 0.60 C \nATOM 4259 O GLY L 128 38.344 9.063 50.408 1.00 -0.57 O \nATOM 4260 HA3 GLY L 128 40.545 7.464 51.710 1.00 0.07 H \nATOM 4261 HA2 GLY L 128 39.517 7.951 53.101 1.00 0.07 H \nATOM 4262 H GLY L 128 39.900 10.332 52.156 1.00 0.27 H \nATOM 4263 N PRO L 129 37.805 7.080 51.285 1.00 -0.25 N \nATOM 4264 CA PRO L 129 36.599 6.948 50.463 1.00 -0.03 C \nATOM 4265 C PRO L 129 35.460 7.868 50.919 1.00 0.59 C \nATOM 4266 O PRO L 129 35.350 8.206 52.100 1.00 -0.57 O \nATOM 4267 CB PRO L 129 36.257 5.465 50.598 1.00 -0.01 C \nATOM 4268 CG PRO L 129 36.715 5.148 52.010 1.00 0.02 C \nATOM 4269 CD PRO L 129 38.031 5.880 52.116 1.00 0.02 C \nATOM 4270 HA PRO L 129 36.831 7.187 49.415 1.00 0.06 H \nATOM 4271 HD3 PRO L 129 38.856 5.272 51.717 1.00 0.04 H \nATOM 4272 HD2 PRO L 129 38.249 6.155 53.159 1.00 0.04 H \nATOM 4273 HG3 PRO L 129 36.853 4.065 52.147 1.00 0.02 H \nATOM 4274 HG2 PRO L 129 35.994 5.522 52.752 1.00 0.02 H \nATOM 4275 HB2 PRO L 129 35.176 5.294 50.483 1.00 0.03 H \nATOM 4276 HB3 PRO L 129 36.804 4.862 49.858 1.00 0.03 H \nATOM 4277 N TYR L 130 34.614 8.262 49.973 1.00 -0.42 N \nATOM 4278 CA TYR L 130 33.488 9.150 50.260 1.00 -0.00 C \nATOM 4279 C TYR L 130 33.900 10.462 50.952 1.00 0.60 C \nATOM 4280 O TYR L 130 33.475 10.748 52.080 1.00 -0.57 O \nATOM 4281 CB TYR L 130 32.432 8.402 51.085 1.00 -0.02 C \nATOM 4282 CG TYR L 130 31.812 7.269 50.304 1.00 -0.00 C \nATOM 4283 CD1 TYR L 130 30.968 7.525 49.224 1.00 -0.19 C \nATOM 4284 CD2 TYR L 130 32.164 5.940 50.567 1.00 -0.19 C \nATOM 4285 CE1 TYR L 130 30.498 6.486 48.404 1.00 -0.23 C \nATOM 4286 CE2 TYR L 130 31.704 4.896 49.761 1.00 -0.23 C \nATOM 4287 CZ TYR L 130 30.875 5.179 48.676 1.00 0.32 C \nATOM 4288 OH TYR L 130 30.472 4.154 47.847 1.00 -0.56 O \nATOM 4289 HA TYR L 130 33.032 9.422 49.297 1.00 0.09 H \nATOM 4290 HB3 TYR L 130 32.909 7.993 51.988 1.00 0.03 H \nATOM 4291 HB2 TYR L 130 31.641 9.109 51.376 1.00 0.03 H \nATOM 4292 HD2 TYR L 130 32.805 5.717 51.412 1.00 0.17 H \nATOM 4293 HE2 TYR L 130 31.989 3.873 49.977 1.00 0.17 H \nATOM 4294 HE1 TYR L 130 29.846 6.704 47.566 1.00 0.17 H \nATOM 4295 HD1 TYR L 130 30.669 8.545 49.013 1.00 0.17 H \nATOM 4296 HH TYR L 130 29.916 4.502 47.160 1.00 0.40 H \nATOM 4297 H TYR L 130 34.752 7.941 49.036 1.00 0.27 H \nATOM 4298 N PRO L 131 34.756 11.269 50.283 1.00 -0.25 N \nATOM 4299 CA PRO L 131 35.194 12.545 50.861 1.00 -0.03 C \nATOM 4300 C PRO L 131 33.996 13.497 50.844 1.00 0.59 C \nATOM 4301 O PRO L 131 33.050 13.304 50.076 1.00 -0.57 O \nATOM 4302 CB PRO L 131 36.311 12.989 49.914 1.00 -0.01 C \nATOM 4303 CG PRO L 131 35.870 12.414 48.598 1.00 0.02 C \nATOM 4304 CD PRO L 131 35.428 11.026 48.990 1.00 0.02 C \nATOM 4305 HA PRO L 131 35.570 12.427 51.888 1.00 0.06 H \nATOM 4306 HD3 PRO L 131 36.289 10.351 49.108 1.00 0.04 H \nATOM 4307 HD2 PRO L 131 34.731 10.605 48.250 1.00 0.04 H \nATOM 4308 HG3 PRO L 131 36.702 12.380 47.879 1.00 0.02 H \nATOM 4309 HG2 PRO L 131 35.038 12.992 48.169 1.00 0.02 H \nATOM 4310 HB2 PRO L 131 36.379 14.086 49.866 1.00 0.03 H \nATOM 4311 HB3 PRO L 131 37.282 12.575 50.223 1.00 0.03 H \nATOM 4312 N CYS L 132 34.024 14.520 51.686 1.00 -0.42 N \nATOM 4313 CA CYS L 132 32.909 15.438 51.729 1.00 0.02 C \nATOM 4314 C CYS L 132 32.772 16.224 50.437 1.00 0.60 C \nATOM 4315 O CYS L 132 33.741 16.390 49.693 1.00 -0.57 O \nATOM 4316 CB CYS L 132 33.068 16.402 52.904 1.00 -0.12 C \nATOM 4317 SG CYS L 132 34.489 17.503 52.797 1.00 -0.31 S \nATOM 4318 HA CYS L 132 31.989 14.854 51.876 1.00 0.11 H \nATOM 4319 HB2 CYS L 132 32.160 17.021 52.963 1.00 0.11 H \nATOM 4320 HB3 CYS L 132 33.166 15.806 53.823 1.00 0.11 H \nATOM 4321 HG CYS L 132 34.514 18.099 53.609 1.00 0.19 H \nATOM 4322 H CYS L 132 34.811 14.656 52.287 1.00 0.27 H \nATOM 4323 N GLY L 133 31.547 16.675 50.172 1.00 -0.42 N \nATOM 4324 CA GLY L 133 31.255 17.494 49.006 1.00 -0.03 C \nATOM 4325 C GLY L 133 31.233 16.875 47.625 1.00 0.60 C \nATOM 4326 O GLY L 133 31.010 17.573 46.632 1.00 -0.57 O \nATOM 4327 HA3 GLY L 133 30.261 17.936 49.171 1.00 0.07 H \nATOM 4328 HA2 GLY L 133 32.011 18.292 48.983 1.00 0.07 H \nATOM 4329 H GLY L 133 30.802 16.442 50.797 1.00 0.27 H \nATOM 4330 N LYS L 134 31.447 15.567 47.559 1.00 -0.35 N \nATOM 4331 CA LYS L 134 31.462 14.861 46.282 1.00 -0.24 C \nATOM 4332 C LYS L 134 30.253 13.957 46.087 1.00 0.73 C \nATOM 4333 O LYS L 134 29.945 13.123 46.945 1.00 -0.59 O \nATOM 4334 CB LYS L 134 32.746 14.027 46.156 1.00 -0.01 C \nATOM 4335 CG LYS L 134 33.997 14.837 45.840 1.00 0.02 C \nATOM 4336 CD LYS L 134 33.828 15.568 44.510 1.00 -0.05 C \nATOM 4337 CE LYS L 134 35.150 16.081 43.960 1.00 -0.01 C \nATOM 4338 NZ LYS L 134 35.828 16.972 44.934 1.00 -0.39 N \nATOM 4339 HA LYS L 134 31.454 15.615 45.481 1.00 0.14 H \nATOM 4340 HB2 LYS L 134 32.909 13.501 47.108 1.00 0.04 H \nATOM 4341 HB3 LYS L 134 32.600 13.292 45.351 1.00 0.04 H \nATOM 4342 HG2 LYS L 134 34.166 15.572 46.640 1.00 0.01 H \nATOM 4343 HG3 LYS L 134 34.862 14.160 45.776 1.00 0.01 H \nATOM 4344 HD2 LYS L 134 33.386 14.875 43.779 1.00 0.06 H \nATOM 4345 HD3 LYS L 134 33.152 16.423 44.660 1.00 0.06 H \nATOM 4346 HE2 LYS L 134 35.804 15.224 43.742 1.00 0.11 H \nATOM 4347 HE3 LYS L 134 34.959 16.642 43.033 1.00 0.11 H \nATOM 4348 HZ1 LYS L 134 36.001 16.466 45.788 1.00 0.34 H \nATOM 4349 HZ2 LYS L 134 36.703 17.288 44.547 1.00 0.34 H \nATOM 4350 HZ3 LYS L 134 35.240 17.767 45.128 1.00 0.34 H \nATOM 4351 H LYS L 134 31.601 15.054 48.403 1.00 0.27 H \nATOM 4352 N GLN L 135 29.564 14.138 44.959 1.00 -0.42 N \nATOM 4353 CA GLN L 135 28.410 13.314 44.617 1.00 -0.00 C \nATOM 4354 C GLN L 135 28.953 11.895 44.490 1.00 0.60 C \nATOM 4355 O GLN L 135 30.075 11.687 44.027 1.00 -0.57 O \nATOM 4356 CB GLN L 135 27.799 13.788 43.296 1.00 -0.00 C \nATOM 4357 CG GLN L 135 27.340 15.222 43.358 1.00 -0.06 C \nATOM 4358 CD GLN L 135 26.639 15.686 42.103 1.00 0.70 C \nATOM 4359 OE1 GLN L 135 27.079 15.404 40.996 1.00 -0.61 O \nATOM 4360 NE2 GLN L 135 25.552 16.425 42.270 1.00 -0.94 N \nATOM 4361 HA GLN L 135 27.650 13.364 45.411 1.00 0.09 H \nATOM 4362 HB2 GLN L 135 28.555 13.693 42.503 1.00 0.02 H \nATOM 4363 HB3 GLN L 135 26.935 13.150 43.057 1.00 0.02 H \nATOM 4364 HG2 GLN L 135 26.646 15.329 44.204 1.00 0.04 H \nATOM 4365 HG3 GLN L 135 28.219 15.862 43.522 1.00 0.04 H \nATOM 4366 HE22 GLN L 135 25.048 16.760 41.474 1.00 0.43 H \nATOM 4367 HE21 GLN L 135 25.236 16.648 43.192 1.00 0.43 H \nATOM 4368 H GLN L 135 29.847 14.861 44.329 1.00 0.27 H \nATOM 4369 N THR L 136 28.166 10.919 44.917 1.00 -0.42 N \nATOM 4370 CA THR L 136 28.610 9.538 44.873 1.00 -0.04 C \nATOM 4371 C THR L 136 28.467 8.900 43.491 1.00 0.60 C \nATOM 4372 O THR L 136 27.456 9.068 42.811 1.00 -0.57 O \nATOM 4373 CB THR L 136 27.860 8.707 45.920 1.00 0.37 C \nATOM 4374 OG1 THR L 136 26.458 8.763 45.656 1.00 -0.68 O \nATOM 4375 CG2 THR L 136 28.115 9.265 47.312 1.00 -0.24 C \nATOM 4376 HA THR L 136 29.679 9.527 45.132 1.00 0.10 H \nATOM 4377 HB THR L 136 28.204 7.663 45.873 1.00 0.00 H \nATOM 4378 HG1 THR L 136 25.993 8.248 46.305 1.00 0.41 H \nATOM 4379 HG23 THR L 136 28.902 8.676 47.805 1.00 0.06 H \nATOM 4380 HG21 THR L 136 28.437 10.314 47.233 1.00 0.06 H \nATOM 4381 HG22 THR L 136 27.190 9.209 47.905 1.00 0.06 H \nATOM 4382 H THR L 136 27.257 11.136 45.273 1.00 0.27 H \nATOM 4383 N LEU L 137 29.507 8.184 43.078 1.00 -0.42 N \nATOM 4384 CA LEU L 137 29.531 7.507 41.785 1.00 -0.05 C \nATOM 4385 C LEU L 137 29.478 5.983 41.952 1.00 0.60 C \nATOM 4386 O LEU L 137 28.912 5.278 41.116 1.00 -0.57 O \nATOM 4387 CB LEU L 137 30.799 7.903 41.019 1.00 -0.11 C \nATOM 4388 CG LEU L 137 30.821 9.223 40.239 1.00 0.35 C \nATOM 4389 CD1 LEU L 137 30.089 10.330 40.979 1.00 -0.41 C \nATOM 4390 CD2 LEU L 137 32.275 9.612 39.989 1.00 -0.41 C \nATOM 4391 HA LEU L 137 28.652 7.826 41.206 1.00 0.09 H \nATOM 4392 HB2 LEU L 137 31.616 7.950 41.753 1.00 0.05 H \nATOM 4393 HB3 LEU L 137 31.002 7.099 40.296 1.00 0.05 H \nATOM 4394 HG LEU L 137 30.322 9.068 39.271 1.00 -0.04 H \nATOM 4395 HD21 LEU L 137 32.774 8.818 39.414 1.00 0.10 H \nATOM 4396 HD22 LEU L 137 32.310 10.553 39.421 1.00 0.10 H \nATOM 4397 HD23 LEU L 137 32.789 9.746 40.952 1.00 0.10 H \nATOM 4398 HD11 LEU L 137 30.562 10.491 41.959 1.00 0.10 H \nATOM 4399 HD12 LEU L 137 30.138 11.258 40.391 1.00 0.10 H \nATOM 4400 HD13 LEU L 137 29.037 10.042 41.123 1.00 0.10 H \nATOM 4401 H LEU L 137 30.305 8.106 43.676 1.00 0.27 H \nATOM 4402 N GLU L 138 30.066 5.481 43.036 1.00 -0.46 N \nATOM 4403 CA GLU L 138 30.093 4.045 43.308 1.00 0.04 C \nATOM 4404 C GLU L 138 29.423 3.719 44.646 1.00 0.79 C \nATOM 4405 O GLU L 138 28.851 2.609 44.764 1.00 -0.46 O \nATOM 4406 CB GLU L 138 31.545 3.510 43.297 1.00 -0.18 C \nATOM 4407 CG GLU L 138 32.361 3.702 44.599 1.00 -0.40 C \nATOM 4408 CD GLU L 138 32.917 5.116 44.798 1.00 0.71 C \nATOM 4409 OE1 GLU L 138 33.523 5.375 45.870 1.00 -0.72 O \nATOM 4410 OE2 GLU L 138 32.757 5.965 43.891 1.00 -0.72 O \nATOM 4411 HA GLU L 138 29.532 3.537 42.510 1.00 0.05 H \nATOM 4412 OXT GLU L 138 29.492 4.571 45.566 1.00 -0.57 O \nATOM 4413 HOCA GLU L 138 29.391 4.139 46.406 1.00 0.35 H \nATOM 4414 HB2 GLU L 138 31.502 2.431 43.085 1.00 0.09 H \nATOM 4415 HB3 GLU L 138 32.084 4.022 42.486 1.00 0.09 H \nATOM 4416 HG2 GLU L 138 31.707 3.467 45.452 1.00 0.07 H \nATOM 4417 HG3 GLU L 138 33.207 3.000 44.581 1.00 0.07 H \nATOM 4418 H GLU L 138 30.502 6.105 43.684 1.00 0.25 H \nTER 4419 GLU L 138 \nMASTER 0 0 0 0 0 0 0 0 4417 2 0 22 \nEND \n" }, { "path": "data/1z6e_protein.ply", "content": "ply\nformat ascii 1.0\ncomment Generated by PyMesh\nelement vertex 743\nproperty float x\nproperty float y\nproperty float z\nproperty float charge\nproperty float hbond\nproperty float hphob\nproperty float nx\nproperty float ny\nproperty float nz\nproperty float si\nelement face 1381\nproperty list uchar int vertex_indices\nend_header\n5.6315 27.7725 44.0635 0.389652 0 4.18576 -0.910324 -0.403364 0.092774 -0.999865\n4.948 36.799 48.907 0.400887 0 -3.9 -0.785962 0.568931 -0.242035 -0.999885\n14.654 38.2035 64.1545 -0.0616878 0 -0.7 -0.00562873 0.985311 0.170677 -0.700584\n2.885 35.6895 52.699 0.388968 0 -4.5 -0.197947 0.721802 0.663188 0.113011\n6.6195 31.1345 69.07 0.334986 0 -3.9 -0.953304 0.16259 0.254511 0.687374\n8.394 27.686 71.897 1.78404 0 -3.9 -0.22471 -0.18926 0.955869 0.999926\n13.319 32.247 71.043 -0.276314 -0.449107 -0.7 0.359244 -0.289829 0.887098 0.999972\n-0.7445 19.5995 46.9325 0.522466 -0.00467062 -0.723049 -0.796106 -0.427354 -0.428467 -0.999903\n6.783 29.928 69.784 0.578806 0 -3.9 -0.933144 -0.0479645 0.356288 0.542582\n4.4525 39.13 53.9025 0.00370529 0.360192 -0.8 -0.963517 -0.17547 -0.202102 0.224155\n8.982 43.181 56.44 -0.346868 0 -0.8 0.15616 0.843752 0.513513 -0.261758\n7.168 28.288 68.8535 0.860656 0.550783 -3.9 -0.79193 -0.527291 -0.307914 0.459367\n9.826 42.577 56.8275 -0.115035 0 -0.8 0.327709 0.819584 0.469987 -0.568473\n4.6625 37.103 46.919 0.234562 0 -4.4535 -0.68128 0.63776 0.359332 -0.999957\n10.272 23.734 59.088 -0.182118 -0.812332 -3.2 -0.703777 -0.50324 0.501445 -0.999906\n0.691 35.0455 50.857 0.0172758 0 -4.5 -0.755289 0.598947 -0.266083 0.615125\n10.412 38.241 66.891 -0.0192949 0 -0.7 -0.60972 0.791338 0.0450122 0.280474\n11.766 28.484 70.764 0.991463 -0.128941 -3.21433 0.700868 -0.160521 0.694994 0.999948\n8.1035 27.091 71.1415 2.66074 0 -3.59429 -0.647506 -0.570467 0.505276 -0.999917\n11.2655 34.6188 58.8747 -0.902436 0 -0.9 -0.642066 0.207819 0.737945 -0.711971\n10.6772 33.5827 62.4688 -0.309132 0 -1.3 -0.614458 0.673783 -0.410436 -0.539516\n15.138 43.9038 62.295 0.181861 0 4.5 0.479149 0.859768 0.176677 0.999916\n13.016 35.3775 70.4325 0.755851 0.00598889 -0.7 0.108065 0.983487 0.145173 -0.47431\n0.01725 20.3307 51.0563 -0.23964 0 -0.4 -0.849895 0.136374 0.508999 -0.294517\n9.4265 31.2628 71.5075 1.20207 0 -3.9 0.0681185 0.283504 0.956549 -0.102498\n3.8055 31.0585 43.6295 0.615325 0 -3.5 -0.888741 0.0657724 0.453667 0.999931\n9.783 25.8678 59.8298 -1.05461 0 -3.2 -0.830854 0.471364 -0.295799 -0.303159\n10.305 28.5765 55.2185 -0.604958 0 -0.9 -0.592525 -0.633584 -0.49748 0.611057\n15.234 35.302 69.612 0.486143 0.177988 -1.81431 0.0277945 0.946518 0.321451 -0.999914\n11.709 35.6635 62.3262 -1.12467 -0.00968967 -0.7 -0.795285 0.175765 -0.580198 -0.235924\n8.81275 29.2585 65.7978 0.455917 0 -3.9 -0.216329 -0.945 -0.245311 -0.542024\n10.8735 25.8775 65.5265 0.451107 0 -3.07457 -0.85204 0.464373 0.241631 -0.999866\n8.243 29.8967 50.1305 -2.22196 -0.555749 0.761949 0.827446 -0.350036 0.439099 -0.83962\n6.5085 25.6798 53.4258 0.296113 0 -3.5 0.0930536 0.954883 0.282028 -0.452165\n9.2055 28.3465 71.8555 2.24482 0 -3.73973 -0.069505 0.0172569 0.997432 -0.999924\n8.55475 30.5718 61.0827 -0.593834 0 -1.3 -0.613572 0.48245 -0.625117 0.482075\n-1.30575 17.665 51.949 0.79721 0 -4.5 -0.778876 0.623413 0.0686195 -0.999916\n10.2565 29.3585 54.595 -0.35429 0 -0.867306 -0.374854 -0.740971 -0.557177 0.0431833\n1.129 26.489 51.345 -0.135299 0 -3.5 -0.233046 0.160036 0.959207 0.130546\n4.65525 40.1115 51.4565 1.36452 0.108677 -3.9 -0.993948 -0.0288981 0.105985 0.999931\n7.096 28.845 69.9 1.66984 0 -3.9 -0.954638 -0.252644 0.157602 -0.0553979\n5.42675 25.8703 53.1855 -0.0132759 0 -3.5 -0.366984 0.924182 0.105881 0.2878\n8.39275 42.018 53.0515 0.256917 0 -0.8 -0.498355 0.788559 -0.360301 -0.999946\n11.9965 45.489 61.9575 0.0664352 0 4.5 -0.815616 0.514679 -0.264341 0.99992\n9.79725 24.8267 65.8555 0.316264 0 -1.3 -0.492755 0.86822 -0.0581935 -0.637582\n8.229 36.9528 59.9445 -0.71161 0 2.8 0.237358 -0.873779 0.424466 0.598659\n7.0035 34.1915 71.754 -0.932766 -0.72006 -3.5 0.134315 -0.22754 0.964461 0.833906\n14.8555 36.368 67.8885 0.871011 0.027781 -0.7 0.101452 0.553278 0.826795 -0.549197\n-3.2495 27.918 46.3635 0.48623 0 -3.9 0.206087 0.243214 -0.947827 0.813676\n5.24013 23.6381 58.0106 0.132143 0 -3.5 -0.599325 -0.212605 0.771757 0.457996\n13.2008 37.0415 63.0667 -0.660857 -0.255489 -0.7 -0.374174 0.777441 -0.505548 -0.999865\n1.0485 25.504 51.6625 -0.837934 -0.0737907 -3.5 -0.070615 0.280207 0.957339 0.452594\n8.074 19.2045 57.9745 -0.848777 -0.819741 2.8 -0.876625 0.480273 0.029444 0.0186382\n4.8675 24.7145 57.909 -0.413026 0 -3.5 -0.641124 0.0338736 0.766689 0.908187\n6.17188 21.4146 56.4274 0.389808 0 -3.5 -0.14612 -0.656007 0.740476 0.101303\n6.88688 30.1689 67.4701 0.361422 0 -3.9 -0.897727 -0.144345 -0.416234 0.478561\n7.449 32.2645 66.9615 -0.00972036 0 -3.9 -0.955009 0.0722336 -0.287647 -0.412197\n12.3075 37.8535 68.2905 0.263761 0 -0.7 -0.0591537 0.242271 0.968404 0.373669\n7.4175 28.0618 71.6735 1.02826 0.706792 -3.9 -0.735111 -0.218414 0.6418 0.999918\n9.408 26.491 62.8475 0.127253 0 -3.2 -0.63893 -0.0230698 0.768919 -0.999899\n13.667 38.0725 61.0055 -0.80399 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-1.24469 0 4.5 -0.926345 -0.0438619 -0.374114 -0.999921\n-3.63425 23.4595 49.236 0.178241 0 -3.9 -0.761053 -0.19809 0.617704 0.352719\n-3.70775 23.2935 48.2248 0.135981 0 -3.9 -0.89791 -0.338326 -0.281592 0.447572\n5.26375 40.5718 57.6795 -0.151383 0 -0.8 -0.871387 0.0596675 0.486954 0.0152384\n-1.2585 23.7705 46.0225 0.506218 0 -3.4869 -0.567325 0.15805 -0.808185 0.0660436\n7.836 36.3252 66.0632 -0.811286 -0.699284 -3.5 -0.934952 0.153911 -0.319649 0.387695\n0.9325 20.2952 56.1225 0.815092 0.687137 -4.5 -0.143353 -0.0560845 0.988081 0.717823\n-2.631 30.245 50.749 2.21603 0 -3.9 0.0620852 0.305699 0.950102 0.713251\n18.6695 38.7197 64.497 -0.329709 0 -2.41317 0.015314 0.739609 0.672863 -0.999918\n0.001 32.5228 53.3295 0.52116 0.518608 -4.5 -0.375682 -0.327357 0.867006 0.999917\n15.4137 42.6985 58.8755 0.398865 0.00589316 4.5 0.223463 0.874887 -0.429693 -0.602966\n17.1395 40.2655 64.1097 0.1157 0 -0.7 0.0582003 0.598342 0.799125 0.99991\n7.0855 43.174 58.1107 -0.989196 -0.707984 -0.8 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0.0919734 0.999888\n0.12175 23.3568 44.0687 0.653599 0 -3.2 -0.621954 0.610231 -0.490705 0.999921\n5.01675 42.279 55.9745 -0.158422 0 -0.8 -0.652068 0.758155 0.00281204 0.628898\n3.73525 36.6968 51.226 0.39062 0.321246 -4.16878 -0.682807 0.730527 0.0102244 -0.0510907\n13.0175 33.181 71.4703 -0.22492 -0.661513 -0.7 0.11734 -0.376975 0.918761 -0.999867\n12.146 30.2397 53.1495 -2.41461 0 -0.9 -0.0835488 -0.859972 -0.503455 -0.603754\n17.5555 36.824 67.3155 0.0173907 -0.679954 -3.63879 -0.12983 0.87576 0.464961 -0.999915\n6.73125 42.5802 59.0023 -0.913178 -0.385251 -0.8 -0.657943 0.514644 0.549775 0.999885\n11.4478 43.8083 63.7303 0.0497773 0 4.5 -0.843129 0.12156 0.523791 0.613478\n-3.765 24.839 49.5775 0.365016 0 -3.9 -0.643038 -0.34791 0.682247 0.250929\n6.02925 17.1943 55.2282 0.195818 0 -3.5 -0.447391 -0.0552123 0.892633 -0.999923\n3.423 30.1555 47.0525 -0.0457335 -0.439174 -0.5 -0.567108 0.0785925 -0.819885 -0.804393\n13.838 42.194 55.035 -0.0226988 -0.149618 -1.41021 -0.0146117 0.862754 0.505412 -0.999933\n0.995 23.7685 52.858 1.20798 0.680834 -4.5 -0.559642 0.716667 0.41616 0.352955\n5.7445 20.4075 55.5067 0.0752078 -0.128929 -3.5 -0.141992 -0.412693 0.899735 -0.571385\n11.945 39.6055 66.7617 0.0558917 0 -0.7 -0.291593 0.914513 0.280429 0.879221\n8.53625 20.9247 57.8208 0.0475439 -0.209603 2.8 -0.588663 -0.27436 0.760396 -0.207497\n8.2645 20.1642 57.2267 -0.136096 -0.136818 1.69197 -0.865371 -0.102345 0.490569 -0.369723\n6.2585 26.4237 57.137 -1.25907 -0.424835 -3.5 0.346008 0.926736 0.146417 0.949676\n16.6765 42.132 58.5252 0.140192 -0.23489 4.5 0.509194 0.764282 -0.39572 0.999945\n13.419 38.6162 68.2325 0.248304 0 -0.7 0.313349 0.428217 0.84761 0.999906\n-4.116 25.8385 49.7145 0.71701 0 -3.9 -0.676669 -0.482436 0.556214 -0.37008\n-0.379 22.198 53.75 0.898205 0.688471 -4.5 -0.972886 0.221303 -0.0672199 0.999892\n15.784 42.4425 63.3835 0.137983 0 4.5 0.50622 0.0801827 0.858669 0.526637\n0.5135 32.1995 49.4725 0.858859 0.0406365 -4.5 -0.754976 0.0868124 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55.3635 0.601888 0.0698899 -3.98043 -0.0225244 -0.293712 0.955629 0.33741\n16.044 43.331 62.592 0.181943 0 4.5 0.704729 0.613644 0.356086 0.719609\n8.182 37.2422 65.4375 -1.41077 -0.612176 -3.5 -0.758601 0.582938 -0.291046 0.999892\n5.9045 34.5405 71.6465 -1.21038 -0.0123519 -3.5 -0.511861 0.161345 0.843781 0.999905\n-2.319 22.065 50.161 -0.523128 0 -3.9 -0.43634 -0.213693 0.874038 0.800827\n3.332 36.2725 50.3512 0.68531 0.603545 -4.5 -0.473993 0.872219 -0.120686 -0.103113\n-1.638 20.884 47.2337 0.20287 0 -0.4 -0.748311 -0.341983 -0.5684 0.140914\n1.39 30.353 51.798 -1.36138 -0 -3.5 -0.083004 -0.217325 0.972564 0.153155\n14.0168 35.5498 70.2868 0.775172 0.2623 -0.7 -0.0547596 0.991471 0.118268 0.999912\n0.53 19.2155 55.8675 0.752712 0.288936 -4.5 -0.496817 0.0703388 0.865 0.374146\n1.189 22.351 55.5165 0.063458 0 -4.5 -0.313825 0.576769 0.754222 0.473442\n5.4775 21.0485 63.1065 -0.985329 -0.0509881 -3.5 -0.963188 -0.0226023 0.267878 0.999928\n1.1835 26.056 46.345 1.13608 0.00642372 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0.218775 0.0405052 0.795208\n5.7855 36.0872 59.242 -0.329711 0 2.8 -0.00184186 -0.934148 0.35688 0.674648\n-0.19425 23.6733 45.3112 0.616959 0 -3.2 -0.577001 0.613667 -0.538964 -0.902181\n13.3695 35.2185 71.523 0.682818 0.25767 -0.7 -0.0681516 0.905078 0.419749 0.999942\n-2.979 21.5042 49.4555 -0.773674 -0.127538 -3.9 -0.727935 -0.552571 0.405926 0.699207\n8.071 29.4795 60.889 -0.62756 -0.00739614 -1.3 -0.645951 0.00651102 -0.763351 0.63846\n8.392 26.7292 62.5078 0.0311349 -0.0466379 -1.3 -0.829547 -0.458111 0.319352 0.277673\n-1.38075 17.5405 53.646 0.344177 0 -4.5 -0.847802 0.526382 0.0644534 0.99993\n4.55825 37.5789 60.8143 -0.0722191 0 2.8 -0.67425 -0.472718 0.567383 0.610714\n6.54688 39.9639 61.39 -0.0716254 0 2.8 -0.188961 0.738479 0.647258 0.208789\n10.8264 29.2431 48.9935 -2.8193 0 -3.5 -0.0841491 -0.0599709 0.994647 -0.863274\n1.51013 28.0174 46.9044 0.519907 0 -3.5 -0.337176 0.372727 -0.864515 0.588523\n7.15312 31.0965 67.208 0.315571 0 -3.9 -0.899806 0.143001 -0.41219 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2.8 -0.366935 -0.929642 -0.0335416 0.411323\n-5.679 26.598 48.61 0.477387 0 -3.9 -0.899265 -0.401071 0.174538 0.999821\n10.9513 30.9115 51.7231 -1.54673 0 -0.4 -0.0804863 -0.981767 -0.172208 -0.47575\n2.6615 26.497 45.3765 0.825069 0.811416 -3.5 -0.20724 0.545525 -0.812068 0.883309\n4.10988 25.39 50.661 -0.248524 0 1.60329 -0.48643 0.32382 0.811496 -0.814129\n13.2821 36.8595 68.2278 0.389936 0 -0.7 0.266145 0.234671 0.934931 -0.228908\n6.84475 22.653 65.5596 0.072408 0 -1.3 -0.841044 0.362283 0.401741 0.999879\n10.8445 27.9619 59 -1.07046 -0.202629 -1.09413 -0.884965 -0.284063 -0.368979 -0.926206\n9.01087 33.6575 71.1149 0.271417 0 -3.5 0.00686263 -0.204161 0.978913 -0.636107\n13.396 28.2455 54.5423 -0.795279 0 4.2 -0.555984 0.0401345 -0.830224 -0.297295\n9.159 24.9673 59.2351 -0.226528 0.633283 -3.44276 -0.671793 0.736016 0.0835126 -0.146618\n11.1656 38.7026 67.3694 0.066785 0 -0.7 -0.494544 0.7476 0.443306 0.42013\n5.308 35.755 69.1365 -1.15926 -0.79492 -3.5 -0.977619 0.167037 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0.251444 0.721339 -0.0732833\n1.877 32.4757 47.32 0.572785 0 -4.5 -0.733775 -0.218383 -0.643337 0.340211\n15.3586 37.1936 67.3155 0.854327 0.868985 -0.7 0.385745 0.762429 0.519522 0.333248\n11.7587 27.5529 50.2887 -1.2932 0 1.8 -0.376661 0.699498 0.607313 0.154016\n10.307 30.417 71.8255 0.84798 0 -3.9 0.202983 0.329512 0.922073 0.999887\n5.97025 41.9315 53.9561 -1.43489 -0.962678 -0.8 -0.382627 0.797485 -0.466492 0.232323\n4.74687 32.8855 54.1335 0.230306 0 -2.713 -0.787738 -0.129359 0.602275 0.182463\n4.6015 37.054 53.5235 -0.447441 -0.56784 -3.5 -0.987791 0.00945217 0.155499 0.238848\n5.61713 34.8209 68.9567 -1.96111 -0.419339 -3.5 -0.812628 -0.362844 -0.456048 0.570873\n10.1215 33.785 58.4335 -0.646585 0 -0.9 -0.61431 0.115845 0.780515 0.307892\n13.263 42.2393 57.7185 0.0453372 0 4.5 -0.200468 0.821871 -0.533236 -0.518155\n3.59225 27.1325 45.9857 0.769976 0.497152 -3.5 -0.166837 0.43932 -0.882702 -0.431422\n12.6937 27.0841 54.9841 -0.834513 0 4.2 -0.772552 0.162805 -0.613725 -0.386572\n6.74125 23.3455 62.1082 -0.431014 -0.0435113 -3.5 -0.34394 0.681548 -0.645909 0.11657\n3.6665 36.3177 47.5355 0.529302 0 -4.5 -0.320787 0.931619 0.170826 -0.99991\n7.7995 31.4775 62.7827 -0.119583 0 -1.3 -0.812488 0.480849 -0.329617 0.999795\n9.63575 26.5909 60.7141 -0.681279 0 -3.2 -0.81039 0.0580432 -0.583009 -0.328158\n4.40875 37.0786 49.9584 0.441048 0 -3.99083 -0.76859 0.509005 -0.387535 -0.270664\n12.5411 35.741 59.8351 -0.560916 0 -0.9 -0.841665 0.0541881 0.537274 -0.917198\n7.7025 27.6833 62.9953 0.589392 0 -1.3 -0.548757 -0.705997 0.447698 0.46573\n4.5565 39.464 50.6325 1.44639 0 -3.9 -0.996015 0.0816545 0.0358742 0.999902\n9.98225 37.7405 67.8828 0.142198 0 -3.18226 -0.255375 0.947797 0.190957 -0.0795699\n6.79875 33.1275 68.6189 -0.316901 0 -3.70356 -0.873264 -0.169958 -0.456644 -0.368013\n0.447875 31.065 51.8208 0.0998599 0 -4.5 -0.367761 -0.476667 0.798461 -0.0353816\n6.3285 40.463 59.6645 -0.535547 0 2.8 -0.624285 0.742757 0.242034 -0.363691\n5.141 37.9651 56.0166 -0.617725 0 -1.78636 -0.999245 -0.036155 0.0142465 -0.425036\n6.792 28.02 51.811 -1.12063 0 2.5 0.195107 0.159869 0.967665 0.128723\n8.08737 27.9981 50.86 -1.30606 0 2.5 0.664253 0.380394 0.643481 -0.210111\n1.5925 24.516 52.049 0.250488 0.216391 -4.43043 -0.0314002 0.66869 0.742878 0.0496443\n14.8574 40.3052 62.4516 -0.0460753 0 1.51445 -0.0831568 -0.143677 0.986125 -0.812925\n4.88413 36.7901 47.8945 0.33823 0 -4.23928 -0.736305 0.665285 0.123494 -0.999837\n4.213 30.1545 53.0055 -0.0542064 0 -0.4 -0.31784 -0.598327 0.735516 0.42879\n7.987 42.501 54.0245 -0.133557 0 -0.8 -0.457878 0.601723 -0.654429 -0.999941\n13.4864 39.2643 66.8562 0.149937 0 -0.7 0.559153 0.797617 0.226176 0.75304\n-0.117 30.536 49.5083 -0.689422 -0.0528263 -3.5 -0.335129 0.574395 -0.746833 -0.461742\n14.0817 35.7323 68.4447 0.495366 0 -0.7 0.116965 0.759955 0.639365 -0.679229\n9.337 36.8153 58.8078 -0.348871 0 2.8 0.130113 -0.821349 0.555388 -0.675215\n3.21438 32.3761 52.4281 -0.146759 0 -2.3057 -0.432304 -0.117359 0.894058 -0.646725\n7.41825 25.3018 57.098 -0.558608 -0.184354 -3.5 0.477153 0.876061 -0.0695815 -0.131953\n4.27775 31.7523 53.4842 0.529744 0 -0.4 -0.712075 -0.038525 0.701046 0.187569\n0.00875 20.9221 53.9245 0.441105 0 -4.5 -0.962283 -0.202763 -0.181379 0.245486\n-1.13988 29.946 48.8909 1.34542 0 -3.73235 0.258062 0.693461 -0.672692 -0.136347\n0.5345 22.964 52.341 1.37722 0.562754 -4.5 -0.954994 0.28529 0.0812107 -0.0743729\n0.422125 19.9885 52.0721 0.612103 0.1986 -2.37955 -0.941641 0.306494 0.139187 -0.764616\n5.25825 35.9391 54.9666 -0.385445 0 -3.5 -0.83835 -0.267059 0.475235 -0.138245\n2.127 27.8732 51.5213 -0.198833 0 -3.5 -0.0527986 -0.183205 0.981656 0.412444\n0.93975 27.7628 51.4818 0.0257799 0 -3.5 -0.259632 -0.0892168 0.961578 0.658587\n5.43025 26.3407 44.2455 0.479956 0 4.2 -0.948454 0.292326 -0.122394 -0.631901\n9.53913 24.8885 56.0624 -0.323108 -0.55709 -1.24693 -0.208482 0.952734 -0.220984 -0.303697\n8.38437 30.3517 52.3189 -1.29769 -0.372228 -0.4 0.300674 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0.256299\n-4.30863 28.9781 47.5151 1.43099 0 -3.9 -0.38723 0.533221 -0.752149 0.43942\n11.3652 34.6478 62.4113 -0.460649 0 -0.730137 -0.808179 0.400602 -0.4317 -0.388492\n12.6775 42.432 55.046 -0.21579 -0.0913334 -1.12713 0.347932 0.817298 0.459311 -0.999894\n3.075 25.2374 50.7061 -0.23946 -0.817199 -3.5 0.178871 0.432983 0.883476 -0.999877\n11.0258 26.8528 58.785 -1.39265 -0.0045552 -1.99997 -0.959774 0.194318 -0.202667 -0.999887\n6.837 17.3615 56.2935 0.107693 0 -0.0804306 -0.781523 0.465966 0.414846 -0.999924\n-1.05825 27.0443 50.3455 0.493384 0 -3.9 0.0428395 0.116942 0.992214 -0.999813\n-1.1865 28.844 48.1348 0.978063 0 -3.69338 0.190982 0.401937 -0.895529 -0.0925791\n9.72513 22.523 61.3036 0.113459 0 -3.41855 -0.458604 0.160802 -0.873971 -0.999877\n7.783 36.9885 69.4108 -0.60491 -0.0681546 -3.5 -0.253896 0.91332 0.318407 -0.0703065\n1.90375 35.5145 49.9432 0.590267 0 -4.5 -0.596276 0.761198 -0.255013 0.163294\n10.877 26.644 57.7928 -0.861026 0 -0.8 -0.974144 0.225585 0.012458 -0.363848\n9.936 28.7658 49.0771 -2.33598 0 -0.638646 0.18431 0.220199 0.957884 -0.733968\n12.0095 34.7402 59.6889 -0.667398 0 -0.9 -0.836261 0.232327 0.496681 -0.393567\n8.944 29.478 64.689 0.233876 0 -2.61219 -0.419661 -0.882138 0.213817 -0.999881\n0.82475 35.5713 51.982 0.37477 0 -4.5 -0.680638 0.731234 0.0450382 0.999868\n10.0929 25.4054 64.9555 0.232709 0 -2.2054 -0.782898 0.510034 0.356281 -0.211892\n7.63 27.1877 69.6718 2.30916 0 -3.9 -0.913524 -0.354867 -0.198854 0.109564\n7.791 30.1815 61.8675 -0.313736 0 -1.3 -0.773849 0.36646 -0.51659 0.0642409\n-2.53625 23.8595 49.9132 0.318148 -0.0469691 -3.9 -0.581794 -0.222472 0.782318 -0.755015\n-0.049875 21.5881 50.5035 0.273068 -0.595813 -0.685137 -0.775092 0.0321659 0.631029 -0.701999\n-1.01838 20.55 46.3955 0.0475192 0 -1.53673 -0.851915 -0.332043 -0.404955 -0.999887\n7.57 41.498 52.1855 1.57772 0 -3.9 -0.224116 0.964399 -0.140383 -0.999937\n8.944 28.8525 63.7525 0.113434 0 -1.3 -0.250752 -0.618285 0.74488 -0.776078\n-2.8975 29.1855 47.1195 0.92437 0.332103 -3.9 0.200152 0.45494 -0.867738 0.510889\n2.933 24.4894 51.5526 0.636127 -0.0381622 -4.45448 0.0255065 0.817569 0.575266 -0.613042\n2.48106 20.3319 55.7882 0.676904 0.216886 -4.5 0.138838 -0.0874679 0.986445 -0.152499\n9.85925 26.1585 64.032 0.261141 0 -3.2 -0.83207 0.314651 0.456788 -0.411501\n10.1927 37.3345 64.1967 -0.348298 -0.513961 -2.17797 -0.424478 0.612198 -0.667107 0.32471\n12.847 36.767 60.7545 -0.496585 -0.287066 -0.168653 -0.871237 0.265186 0.413064 -0.225762\n2.18388 33.3993 46.2671 0.467063 0 -4.5 -0.771407 -0.183332 -0.609361 0.696453\n8.74613 30.1098 55.8226 0.68775 0.554821 -0.4 -0.643691 -0.750704 0.14868 0.40167\n2.14475 19.2173 55.5892 0.73183 0.369861 -4.5 0.243966 -0.222678 0.943872 -0.093179\n-0.767 33.0752 52.4856 1.16113 0.140282 -4.5 -0.959384 0.13889 0.245544 0.999904\n2.546 29.916 51.8259 -0.448922 0 -0.590441 -0.33417 -0.259341 0.906131 -0.349598\n5.3495 18.45 55.3895 -0.834719 -0.047882 -3.5 -0.221088 -0.137514 0.96551 0.276931\n14.307 37.6781 67.6891 0.537379 0 -0.7 0.571605 0.449681 0.686334 0.270743\n0.846313 31.8169 52.6306 -0.00857098 0 -4.5 0.114185 -0.584735 0.803148 0.452189\n4.98488 30.9408 54.0676 0.495398 0.554116 -0.4 -0.530817 -0.40671 0.743519 0.537122\n2.65325 24.511 43.352 0.59402 0 -3.2 -0.159397 0.804316 -0.572423 0.99988\n12.6842 40.2523 61.9914 -0.042606 0 4.5 -0.525649 -0.629675 0.572016 0.0941486\n6.76 32.841 55.199 -0.447325 0 -3.5 -0.273858 0.0416757 0.960867 -0.190678\n4.6555 37.0378 57.169 0.215906 0 2.8 -0.898022 -0.273819 -0.344354 0.391581\n7.47725 32.578 71.1085 0.0113334 -0.356267 -3.7034 -0.463868 -0.214725 0.859488 0.181879\n9.86025 21.7087 60.635 0.120479 0 -0.712801 -0.659307 0.588709 -0.467691 -0.999882\n7.2815 17.814 57.6145 0.183823 -0.0174479 2.8 -0.826039 0.557901 -0.0800435 -0.9999\n13.6158 37.0641 62.0429 -0.466248 -0.718596 -0.7 -0.785738 0.618153 -0.0224394 -0.954454\n12.2928 41.8968 63.7675 0.0258457 0 4.5 -0.238784 -0.542319 0.805526 0.468237\n0.474 29.9683 51.6688 -1.24677 -0.653476 -3.5 -0.406829 -0.181543 0.895283 0.587176\n0.03725 28.2325 47.6095 0.538939 0 -3.5 -0.315553 0.435755 -0.842938 0.284005\n8.35112 24.7781 56.6292 -0.190295 0 -3.5 0.180601 0.982039 -0.0546109 -0.95413\n4.40825 29.4909 44.5259 0.234021 -0.334214 -0.362765 -0.90847 -0.188286 0.373136 -0.205711\n14.4277 42.5047 63.4365 0.113591 0 4.5 0.198848 -0.300279 0.932895 -0.0712281\n4.996 26.3 45.2531 0.565688 0 0.366466 -0.519541 0.522491 -0.676077 -0.999875\n8.08663 31.6373 71.5241 0.294762 0 -3.9 -0.285323 0.225803 0.931453 0.47591\n7.39038 21.4668 57.5016 0.525982 0.756338 -3.5 -0.646674 -0.549848 0.528659 0.468485\n14.4718 28.8096 54.0701 -0.876861 0 4.5 -0.554445 -0.0405652 -0.831231 -0.575231\n-5.3545 26.6665 47.537 0.479828 0 -3.9 -0.676988 -0.153635 -0.719781 0.999818\n10.2288 25.8075 58.725 -0.562606 -0.408221 -3.2 -0.724937 0.66073 -0.194686 -0.446199\n0.95525 24.5053 44.0952 0.642276 0 -3.2 -0.546554 0.628357 -0.553576 0.693817\n9.36794 36.7569 70.7789 0.0885466 0 -3.5 0.186076 0.800894 0.569161 0.722623\n-2.83288 26.6984 46.4468 0.510493 0 -3.9 0.122924 0.101096 -0.987253 0.403113\n13.4233 43.4435 58.9275 0.129866 0 4.5 -0.13649 0.696521 -0.704435 0.323121\n11.4303 29.5985 71.36 0.91307 0 -3.9 0.606118 -0.0362488 0.794548 0.999886\n4.252 23.1682 57.0001 0.432237 0 -3.5 -0.603444 -0.268831 0.750723 0.487298\n5.9455 24.74 58.307 -0.395628 -0.181059 -3.5 -0.319214 0.154025 0.935082 0.299879\n10.0504 28.736 65.653 0.413491 0 -3.63888 -0.614782 -0.786082 -0.0641742 -0.605827\n1.1145 16.858 55.451 0.718624 0.00111046 -4.5 0.473194 -0.409237 0.780136 0.999918\n6.66862 31.616 68.0553 0.108618 0 -3.9 -0.955803 0.09605 -0.277875 0.387891\n2.81825 36.2152 51.4824 1.36334 0.00039733 -4.5 -0.353395 0.930998 0.091405 0.151404\n10.6646 26.2903 67.6559 0.420227 0 0.405029 -0.752967 0.250202 -0.608638 -0.999905\n-5.949 27.913 48.864 0.810122 0 -3.9 -0.95774 -0.148291 0.246462 0.662635\n-4.34137 24.6835 48.7429 0.301251 0 -3.9 -0.865731 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27.6103 42.7656 0.444474 0 0.752839 -0.93811 -0.256586 0.232621 -0.99992\n-0.687 24.7577 46.22 0.700421 0 -3.65238 -0.300137 0.445508 -0.843469 -0.278218\n2.45 29.4268 47.4065 -0.609595 0 -3.5 -0.354522 0.343052 -0.869845 -0.764263\n18.3053 39.8746 63.8671 0.0991733 0 -0.7 0.163581 0.437757 0.884087 0.999901\n9.37625 27.3305 50.3635 -1.70551 0 2.45598 0.35783 0.679701 0.640285 -0.649687\n9.08925 33.6325 57.5387 -0.2978 0 -0.9 -0.764175 -0.0879073 0.63899 0.836737\n7.52956 35.0239 71.5272 -0.853398 0 -3.5 -0.0363659 0.168581 0.985017 0.176393\n14.453 38.008 66.447 0.821798 0.00921016 -0.7 0.615189 0.76752 0.180155 -0.0947432\n4.825 39.244 51.9435 1.28798 0 -3.9 -0.991149 0.0188634 0.13141 -0.720069\n10.8585 35.4017 63.4723 0.291377 0 -0.7 -0.731885 0.125587 -0.669755 -0.643564\n12.823 30.036 70.3408 0.720055 -0.384484 1.78999 0.47868 -0.205365 0.853634 -0.999897\n12.3125 36.4195 61.765 -0.651033 -0.460383 -0.7 -0.656043 0.629317 -0.416613 0.263508\n7.39762 41.6751 53.6775 -0.205809 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41.5088 52.6585 1.28286 -0.394618 -2.54989 -0.261126 0.950979 -0.165689 -0.999873\n8.27837 28.3878 67.8777 1.50418 0.693978 -3.9 -0.479656 -0.620732 -0.620179 -0.473642\n4.66 17.0823 54.824 0.422604 0 -3.5 -0.37136 -0.138733 0.918066 0.999916\n8.07275 29.369 71.7589 1.28556 0.312984 -3.9 -0.335873 0.078133 0.938661 0.394924\n-3.3495 22.1144 48.2354 -0.953045 -0.0449205 -3.9 -0.819756 -0.384219 -0.424707 0.702421\n7.31175 30.2934 52.852 -1.19405 -0.328907 -0.4 0.0882441 -0.951741 0.293941 -0.323248\n7.87838 43.0785 58.9601 -1.43617 -0.0211283 -0.8 0.0183094 0.861103 0.5081 0.999856\n9.00638 32.5456 71.0291 0.676224 0 -3.76605 -0.00157706 0.132279 0.991211 -0.647926\n-0.8375 27.6801 47.8305 0.711389 0 -3.64891 -0.025034 0.314538 -0.948915 -0.637007\n0.729875 23.2505 53.8237 1.01179 0.210166 -4.5 -0.465252 0.853034 0.236373 0.379333\n6.5815 37.2243 61.1759 -0.516353 0 2.8 0.0564422 -0.828414 0.557265 0.680459\n13.058 38.948 64.424 -0.0672427 0 -0.7 -0.136323 0.748415 -0.64907 0.266248\n17.7078 41.5225 61.2431 0.211251 0 -0.7 0.654706 0.645101 0.393961 -0.999907\n11.265 43.2625 55.262 -0.819408 -0.395305 -0.8 0.421396 0.735066 0.531134 0.999906\n11.8593 26.8267 51.0698 -0.987901 0 1.8 -0.447478 0.55216 0.70348 0.0790409\n10.8112 43.0335 60.2575 0.048521 0 4.5 -0.678771 0.686368 -0.261092 0.446451\n7.336 23.5515 66.7517 0.428581 0 -1.3 -0.740216 0.63654 -0.216556 -0.999903\n9.46138 40.373 61.0938 0.0654335 0.40097 4.31515 0.0197776 0.231389 0.97266 0.100917\n8.9345 23.0753 58.1925 0.14335 0 -3.5 -0.344709 -0.371258 0.862174 -0.688427\n8.68338 37.7611 68.6676 -0.0643638 0 -3.5 -0.219809 0.956673 0.190945 0.680738\n8.85163 25.0566 57.8092 -0.14558 0.396892 -2.11257 -0.219649 0.975352 0.0210692 -0.0867807\n-0.1425 17.4555 55.6603 0.805802 0.0546675 -4.5 -0.539465 0.0701922 0.839077 0.999893\n7.3355 25.1672 58.448 0.359043 0.389999 -3.5 0.0542174 0.704844 0.707288 0.426223\n16.9514 42.4835 60.5255 0.263473 0 4.5 0.758406 0.63024 0.166185 -0.999929\n-5.3705 25.6795 47.9175 0.311175 0 -3.9 -0.738106 -0.628671 -0.244891 0.999884\n12.4575 33.9755 71.929 0.312681 -0.0384131 -0.7 -0.0966134 0.196332 0.975766 0.999906\n-4.01662 30.8169 49.4905 2.6672 0.171937 -3.9 -0.448826 0.89022 -0.077874 0.999834\n-2.026 25.8722 50.9507 0.300037 0 -3.9 0.0518987 0.0873443 0.994825 0.398224\n8.02713 40.6049 60.9238 0.000249996 0 2.8 -0.0716736 0.696909 0.713569 0.175058\n4.41638 30.5163 44.7005 0.209013 -0.111247 -2.60285 -0.988509 -0.0586607 0.139316 -0.312826\n11.314 33.9111 71.7846 0.410267 0 -0.7 -0.18813 -0.144676 0.97143 0.680244\n10.0551 35.847 64.1285 -0.396255 -0.339693 -3.34119 -0.495418 0.0034578 -0.868648 -0.27368\n18.1515 38.4035 65.4735 -1.00858 0 -3.5 -0.269781 0.777757 0.567725 0.999865\n6.79087 29.2001 51.8828 -1.51037 -0.0137778 1.01576 0.191377 -0.426393 0.884061 -0.0295412\n12.042 27.2507 55.7962 -0.926763 0 -0.390927 -0.563628 -0.0905072 -0.821056 -0.604834\n6.74025 35.5834 67.3204 -1.30935 -0.161221 -3.5 -0.635873 0.292175 -0.714353 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24.5182 51.1598 0.232466 0 -3.9 -0.299575 -0.070423 0.95147 0.268803\n5.332 27.7429 45.3959 0.422457 0 1.91661 -0.787122 -0.0205677 -0.616454 -0.812608\n0.1155 29.2779 48.5412 0.10851 0 -3.5 -0.243555 0.564024 -0.789023 -0.557073\n4.58375 36.5168 59.8105 -0.0316331 0 2.8 -0.441854 -0.782262 0.439125 0.99984\n6.06787 35.7051 70.8631 -1.40001 -0.0281845 -3.5 -0.607421 0.489133 0.62593 0.54911\n4.34113 34.4239 53.6164 0.146281 0 -3.5 -0.688397 -0.0987433 0.718581 -0.367427\n11.539 38.193 64.719 -0.139061 0 -0.7 -0.355017 0.732179 -0.581272 0.0410745\n7.95962 36.7955 67.0583 -0.318106 -0.574784 -3.5 -0.685471 0.676919 -0.26816 -0.12893\n10.5745 30.3051 53.1546 -1.28186 -0.0566164 -0.524978 -0.0389882 -0.852772 -0.520826 -0.389501\n1.21263 28.9281 51.3369 -1.52071 -0.0927388 -3.5 -0.246508 -0.158073 0.956163 -0.334984\n16.016 43.57 61.2345 0.237492 0 4.5 0.675178 0.725605 0.132783 0.999911\n10.7129 35.4191 71.2793 0.270913 0 -1.48057 0.159458 0.532526 0.831257 0.274694\n-2.20525 27.434 50.6271 0.981136 0 -3.9 0.206008 0.0352729 0.977914 -0.387005\n4.26538 24.214 43.1576 0.216289 0 2.90698 -0.364307 0.745421 -0.558237 -0.999939\n3.70913 31.0164 52.8237 -0.0972499 0 -0.4 -0.601321 -0.118238 0.79021 -0.0380853\n8.15906 36.7726 70.3352 -0.311453 0 -3.5 -0.169519 0.910191 0.37791 0.530679\n6.8665 36.8105 59.901 -1.00374 0 2.8 -0.00359789 -0.878942 0.476916 -0.401727\n1.39975 34.416 49.0462 0.664095 0 -4.5 -0.781657 0.430131 -0.451663 0.171203\n10.06 21.53 59.543 -0.308252 0 2.5 -0.915728 0.388729 0.101644 -0.459166\n12.0826 25.4959 51.7669 -0.548925 0 3.27138 -0.475273 0.676749 0.562252 -0.999872\n7.4475 37.155 60.6413 -0.620032 0 2.8 0.173577 -0.826019 0.53625 0.383721\n9.77363 30.496 58.8185 -0.352314 0 -1.0005 -0.983399 -0.00327986 0.181426 0.0996978\n10.6263 38.1157 60.9815 -0.237365 0 2.8 0.166595 -0.451974 0.876336 0.795584\n3.54163 24.9726 44.14 0.670376 0 -3.2 -0.101571 0.77753 -0.620589 -0.409197\n15.6178 38.4259 63.8389 -0.0406769 0 -0.7 -0.183792 0.790128 0.584737 -0.263361\n-1.00831 20.9826 49.8698 0.42206 -0.0222593 -0.805431 -0.466919 -0.254533 0.846876 -0.281765\n10.7046 24.8263 52.993 -1.33488 0 2.5 0.022484 0.944085 0.328934 -0.440381\n5.97813 25.7931 54.5634 -0.178369 0 -3.5 0.0111128 0.998112 -0.0604142 0.233158\n8.299 30.3215 54.081 -1.01275 -0.53829 -0.4 -0.176488 -0.978701 0.104863 -0.155032\n11.3872 28.834 54.7583 -0.543719 0 -0.9 -0.13163 -0.675459 -0.725554 0.189435\n4.20381 30.8347 46.2063 -0.50182 0 2.5 -0.883341 -0.0585893 -0.465056 -0.745354\n7.37675 25.0971 63.5093 0.321912 0.105448 -3.5 -0.366752 0.929838 -0.0299083 0.760578\n5.82837 28.7964 51.7386 -0.683277 0 0.771652 0.0234854 -0.257018 0.966121 -0.604554\n-3.78306 24.9754 47.3518 0.407215 0 -3.9 -0.598005 -0.444196 -0.667143 0.234585\n4.43775 38.1845 57.903 -0.0742576 0 2.8 -0.906398 0.272165 -0.323063 0.530147\n9.17531 35.9972 58.1366 -0.35405 0 -0.324077 -0.1849 -0.61368 0.767599 -0.121647\n10.6271 27.9612 67.042 0.571201 0 0.268091 -0.658787 -0.56658 -0.494961 -0.84017\n7.14431 30.8127 70.401 0.447969 0 -3.9 -0.868511 0.061322 0.491862 0.314793\n13.0465 27.8002 50.8596 -1.20338 0 1.8 -0.364371 0.641783 0.674795 -0.0672415\n11.7233 33.9475 60.5732 -0.569223 0 -1.3 -0.835175 0.526094 -0.160337 -0.587645\n7.26906 41.0477 59.9222 -0.373402 -0.273302 0.120008 -0.409541 0.674539 0.614226 -0.0484244\n5.69975 22.386 57.2521 0.680008 0 -3.5 -0.35453 -0.643968 0.677948 0.0905604\n1.25812 33.4832 53.2175 0.35059 0.0425827 -4.5 0.140645 -0.166081 0.976031 0.462959\n12.5343 43.258 59.3495 0.0290673 0 4.5 -0.405749 0.685978 -0.603989 -0.367582\n10.6027 26.7638 50.6442 -0.840022 0 1.8 -0.0445939 0.6796 0.732226 -0.296764\n11.162 38.9326 65.7865 -0.0669422 0 -0.7 -0.637176 0.709805 -0.300306 0.490604\n13.563 39.3589 61.4014 -0.488426 -0.265059 4.5 -0.642782 -0.54312 0.540233 -0.999848\n-1.18988 26.4489 47.296 0.819459 0 -3.9 0.0740691 0.452066 -0.888904 -0.561651\n9.3795 37.4813 60.3462 -0.333763 0 2.8 0.124685 -0.792542 0.596934 0.253674\n11.0221 37.6321 68.1447 0.318674 0 -0.7 -0.073454 0.632232 0.771289 0.0647589\n3.7265 24.1077 53.2339 0.87247 0 -4.33785 -0.548957 0.819291 0.165553 -0.453896\n15.8364 40.2178 62.8893 0.0458368 0 -0.7 -0.401467 0.136049 0.905712 -0.343048\n4.04875 36.7885 58.569 0.107733 0 2.8 -0.877417 -0.445576 -0.17777 0.843763\n11.1777 37.0768 63.2505 -0.27883 0 -0.7 -0.470223 0.53038 -0.705398 0.464221\n6.91075 26.3289 52.3073 0.316031 0.0535336 -2.62027 0.0639703 0.672035 0.737751 -0.271313\n14.9634 41.4251 62.9939 0.100489 0 4.5 0.0393075 -0.315428 0.948135 -0.190482\n16.6474 41.1352 62.9802 0.154907 0 1.69364 0.166732 0.446563 0.87908 0.0669717\n9.3975 37.2685 69.6265 0.0769268 0 -3.5 0.127505 0.889344 0.439102 0.386756\n12.5176 28.5269 54.9979 -0.966299 0 -0.9 -0.38688 -0.406841 -0.827529 -0.547714\n8.2635 35.6306 57.1603 -0.161859 0 0.628522 -0.348902 -0.768741 0.536008 -0.480475\n5.3125 38.2685 48.864 0.89086 0 -3.9 -0.925211 0.200576 -0.322108 -0.999892\n12.3346 35.1842 61.2545 -0.842826 0 -1.0329 -0.896718 0.350623 -0.270111 -0.722511\n9.016 24.148 61.244 0.0568414 0 -3.2 -0.76726 -0.126958 -0.628645 -0.229218\n12.471 30.3345 50.9625 -1.35318 0 -0.4 -0.347702 -0.86859 0.353064 -0.247968\n1.9685 34.8251 48.1966 1.1562 0 -4.5 -0.872103 0.3961 -0.287299 -0.121566\n12.4419 41.7362 56.6355 -0.757538 -0.0341484 1.71831 0.273272 0.95983 0.0636386 -0.562651\n2.49262 23.7266 53.1921 1.03685 0 -4.5 -0.116855 0.885564 0.449579 -0.363216\n8.60019 32.5866 63.9138 -0.420374 -0.0592692 -2.84569 -0.692553 0.553437 -0.462685 -0.43261\n-1.1695 21.8612 45.1857 0.535893 0 -3.2 -0.955768 -0.0975141 -0.277485 0.999889\n11.2494 33.0902 59.7042 -0.787215 0 -1.20387 -0.889277 0.357076 0.285803 -0.359589\n0.2695 34.44 51.743 0.0891126 0 -4.5 -0.836281 0.54829 0.00340173 0.120597\n4.89025 42.0471 57.1387 -0.0315528 0 -0.8 -0.738991 0.458849 0.493304 0.9999\n0.071125 21.2231 55.1852 0.601335 0 -4.5 -0.824199 0.103277 0.556803 0.551341\n9.96269 28.9945 59.4772 -0.504383 0 -1.3 -0.835992 -0.298973 -0.460145 -0.157111\n9.62806 21.8972 58.4769 0.00818593 0 2.5 -0.634063 -0.00318622 0.773275 -0.632436\n2.44488 26.8189 51.0425 -0.154813 -0.104754 -3.5 0.229793 -0.133263 0.964073 -0.297049\n-0.559937 28.4706 50.53 0.266815 0.899526 -3.8638 -0.179529 -0.0783518 0.980627 -0.438409\n4.75437 39.9085 52.9793 0.680579 0 -0.8 -0.980057 -0.0408599 -0.194471 -0.488536\n2.58375 36.1548 48.0207 0.514107 0 -4.5 -0.563562 0.822074 -0.0811912 0.999869\n14.352 27.3826 51.9351 -1.18982 0 4.2 -0.411212 0.891871 0.188336 -0.486731\n2.319 27.3048 46.3088 1.30322 0.164027 -3.5 -0.333279 0.449671 -0.828687 -0.0590452\n12.5334 26.0696 54.6814 -0.846661 0 4.2 -0.823389 0.414438 -0.387648 -0.708798\n4.01337 36.2914 49.1796 0.570784 0 -4.5 -0.391345 0.912287 -0.120758 -0.610182\n13.887 27.5106 53.3537 -1.0716 0 4.2 -0.55668 0.723016 -0.409091 -0.103095\n6.11438 35.2799 56.0994 -0.144024 0 -3.5 -0.450487 -0.669007 0.591177 0.0772697\n4.666 28.883 45.327 -0.477739 0 2.31297 -0.893006 -0.425104 -0.147738 -0.277751\n12.0785 42.36 58.2467 -0.134809 0 4.31423 -0.115787 0.937426 -0.328369 -0.189299\n2.20681 30.7839 47.627 -1.60808 -0.00855993 -3.5 -0.46968 0.00248512 -0.882833 0.0659963\n11.5404 41.542 62.0564 0.206948 0.496852 4.5 -0.73105 -0.38095 0.566076 -0.0598245\n3.15125 16.6656 54.1994 0.480457 0 -3.5 -0.00682441 -0.342262 0.93958 -0.999911\n2.084 33.062 52.554 -0.220757 0 -4.5 0.11812 -0.365912 0.923123 -0.588125\n8.07544 34.5542 56.0727 -0.154695 0 -3.5 -0.556496 -0.424672 0.714119 -0.67101\n6.1015 22.689 63.898 -0.332381 -0.176338 -3.5 -0.861099 0.1482 0.486359 -0.162279\n10.4837 31.3983 59.4118 -0.763434 0 -0.991753 -0.858547 0.511481 0.0358509 -0.56678\n8.56569 27.307 61.3662 -0.917371 -0.771502 -1.3 -0.665504 -0.440287 -0.602703 0.182644\n7.17394 20.9454 56.1322 0.416636 0.100405 -1.00466 -0.548646 -0.520837 0.654 -0.703229\n10.2245 37.8705 65.482 -0.62548 -0.318176 -3.5 -0.457878 0.859286 -0.227982 -0.0649213\n7.11425 19.4555 55.5322 -0.0555883 -0.349809 -1.94069 -0.39189 -0.0437383 0.918972 -0.999841\n-2.17169 24.9363 46.2564 0.457751 0 -3.9 -0.252121 -0.0130832 -0.967607 0.43092\n-4.58794 30.0441 48.6775 1.7928 0 -3.9 -0.642254 0.689394 -0.335032 0.475582\n12.7867 31.246 70.9315 0.473358 0 -0.7 0.147679 -0.270818 0.951235 0.999811\n5.3265 39.8595 58.4205 -0.346292 0 1.26218 -0.816831 0.574408 0.0533204 -0.0990612\n3.1895 32.927 45.7668 0.403277 0 -4.5 -0.738717 -0.530286 -0.416046 0.107726\n5.51244 37.8991 61.8041 0.020231 0 2.8 -0.207712 -0.570146 0.794851 0.999797\n3.58775 29.0441 51.9164 -0.142286 0 -1.70663 -0.106628 -0.398615 0.910899 -0.0688192\n2.16181 31.5258 52.0822 -0.330369 0 -4.5 -0.111232 -0.274617 0.955098 -0.342249\n9.88475 42.2146 58.1559 0.0288084 0 2.8 0.13876 0.97833 0.153678 -0.460224\n6.89575 42.9501 54.8667 -0.257807 0 -0.8 -0.329647 0.767553 -0.549722 0.999897\n8.2205 32.7119 55.8705 0.0193519 0 -0.8545 -0.664466 0.0470202 0.745838 -0.459579\n4.54456 41.5369 55.2001 0.0310622 -0.183001 -0.8 -0.752282 0.62103 -0.219984 0.626188\n0.0685 19.7581 54.6613 0.661513 0 -4.5 -0.954382 0.233554 0.186032 -0.0610965\n4.33081 36.4864 52.5585 0.174108 0 -3.5 -0.754416 0.56432 0.33526 -0.506728\n5.42431 26.4079 56.2241 -1.64396 -0.298146 -3.5 -0.33546 0.927833 -0.163071 0.700244\n3.73375 29.7243 43.535 0.627676 0.0320382 -3.5 -0.84557 -0.187816 0.499736 0.999926\n3.992 33.1975 52.9817 0.144521 0 -3.5 -0.555459 -0.151297 0.817664 -0.645567\n12.0145 28.5151 49.3462 -1.54707 0 -3.5 -0.50737 0.266108 0.819611 -0.854179\n13.5182 41.5056 56.2009 -0.038207 0 3.73373 -0.0564545 0.998198 -0.0203181 -0.924758\n7.7515 36.1989 71.2923 -0.184555 0 -3.5 -0.218318 0.641441 0.735452 0.640209\n15.4607 28.3375 51.5439 -1.39229 0 -1.3 -0.895135 0.297255 0.332223 -0.999873\n7.096 43.4027 56.4893 -0.0637446 0 -0.8 -0.217633 0.966444 0.136465 0.999796\n7.05288 38.8108 62.0614 -0.124784 0 2.8 -0.0146316 0.0580402 0.998207 0.490055\n10.5682 32.3201 71.2578 0.892826 0 -0.7 -0.0642399 -0.0150236 0.997821 -0.094396\n10.3416 27.656 64.777 0.316727 0 -3.2 -0.8459 -0.12239 0.519109 -0.400536\n12.2656 38.8521 60.4154 -0.30382 -0.492158 4.42072 -0.218582 -0.317277 0.922799 -0.751586\n14.8974 43.6094 63.6857 0.140352 0 4.5 0.356251 0.0832594 0.930673 0.999901\n4.45625 40.9873 56.4101 0.0185108 0 -0.8 -0.957672 0.0623997 0.281016 0.603913\n5.4035 26.0098 42.8915 0.344218 0 4.2 -0.926907 0.357289 -0.114837 -0.999929\n12.6586 29.6139 54.055 -1.49027 -0.211296 -0.9 -0.0643619 -0.710517 -0.700731 -0.122324\n-0.763 18.938 50.025 0.829317 0 -0.4 -0.835929 0.208736 0.507594 -0.577617\n10.8275 40.9593 61.44 0.782835 0.802578 4.5 -0.440426 -0.166821 0.882154 0.18853\n-5.8105 28.7664 48.1691 0.549559 0 -3.9 -0.863993 0.363672 -0.348222 0.999872\n9.759 33.146 62.466 -0.340572 0 -1.3 -0.504287 0.677894 -0.534934 0.386684\n11.2623 27.0227 65.996 0.455576 0 2.8 -0.976285 -0.194362 0.095348 -0.999876\n-3.575 30.9034 50.4663 1.63718 0.865948 -3.9 -0.276727 0.625696 0.729333 0.863248\n11.7175 24.8779 55.0016 -0.875783 -0.641442 0.767256 -0.464928 0.853059 -0.236923 -0.999862\n3.91913 18.1429 54.5653 0.471452 0.0483927 -3.63798 -0.102763 -0.381825 0.918504 -0.698614\n4.59394 38.5098 54.8077 -1.11227 -0.124138 -3.04203 -0.960314 -0.208712 0.185032 0.276838\n9.5465 27.3307 68.0301 0.762125 0 -1.57845 -0.370307 -0.289468 -0.882656 -0.333898\n-1.94288 20.1315 48.6285 0.238438 0 -0.4 -0.841698 -0.539411 0.0241021 0.233965\n9.00037 30.1214 49.4369 -2.17622 0 -3.5 0.399087 -0.357215 0.844469 -0.99987\n0.354313 22.7497 54.9268 1.33036 0.168098 -4.5 -0.502721 0.675427 0.539509 0.99989\n-3.26 26.3964 50.9865 0.361982 0 -3.9 -0.341988 -0.349815 0.872166 0.429954\n13.744 38.482 63.5855 -0.158427 0 -0.7 -0.315482 0.884019 -0.344937 0.148543\n8.5095 38.9105 61.8423 -0.000861627 0 2.8 0.328047 -0.229668 0.916318 0.648136\n1.61625 33.5477 48.0532 0.956562 0 -4.5 -0.878686 0.165313 -0.447863 0.0114946\n13.2389 35.5326 69.0082 0.668002 0 -0.7 0.19105 0.859424 0.474225 -0.622935\n14.3015 38.8385 62.6175 -0.217219 -0.0660923 2.38173 -0.645841 0.410662 0.643619 -0.181056\n16.2361 36.1591 68.5916 0.478968 0.974419 -4.5 -0.0411868 0.847257 0.529584 0.999894\n8.04225 18.8162 56.7577 0.0147699 -0.0539886 0.218625 -0.888283 0.26678 0.373874 -0.900505\n11.3525 44.1488 61.2363 0.0476927 0 4.5 -0.850117 0.463902 -0.249191 0.38105\n11.7089 36.8349 68.5397 0.585738 0 -3.5 0.285841 0.583314 0.760289 -0.421797\n-1.76819 23.4534 50.5016 0.485218 -0.0824974 -3.9 -0.386901 -0.254196 0.886393 0.19838\n9.04694 24.6756 64.3788 0.525291 0.0105792 -3.5 -0.39769 0.867859 0.297764 -0.627572\n7.28475 36.074 58.6003 -0.449203 0 2.8 0.0528931 -0.9382 0.342029 0.323435\n10.5988 25.7304 56.3601 -1.14972 -0.454835 -0.8 -0.653887 0.570411 -0.497055 -0.0906419\n12.848 41.016 63.254 -0.00786792 0 4.5 -0.254877 -0.558315 0.789507 0.455236\n-1.23319 29.9289 50.6112 0.646449 0.125089 -3.94577 -0.170047 0.0279128 0.985041 -0.131891\n11.6027 45.0998 63.3695 0.0614341 0 4.5 -0.737486 0.391307 0.550448 0.999926\n10.8567 27.3566 56.4098 -0.754948 -0.141931 -0.884195 -0.836178 -0.41217 -0.361831 0.113309\n-4.75181 29.6344 50.267 1.82503 0 -3.9 -0.666066 0.542919 0.511464 0.487297\n0.703313 25.0361 45.4177 0.748346 0 -3.2 -0.437875 0.679746 -0.588396 -0.0292033\n3.6955 28.6738 46.4312 0.0912905 -0.322481 -0.0706361 -0.625758 0.114285 -0.7716 -0.23595\n7.71912 29.1691 67.0221 0.5808 0 -3.9 -0.60937 -0.692505 -0.38614 0.294616\n5.81625 35.8112 56.9432 0.158797 0 2.8 -0.52077 -0.841137 0.145903 0.258861\n10.1666 33.9815 71.2016 0.673426 0 -0.7 -0.138509 -0.091546 0.986121 -0.370826\n13.5723 39.9061 62.7055 -0.121824 0 4.5 -0.270982 -0.558461 0.784021 0.357399\n6.18412 32.9157 70.0512 -0.907915 0 -3.5 -0.845403 -0.529129 0.0729101 0.360129\n-2.76644 23.7363 47.255 0.386997 0 -3.9 -0.564824 -0.342583 -0.75074 0.0419814\n-3.37619 30.5162 48.0882 2.77816 0.0710352 -3.9 -0.162177 0.798451 -0.579806 0.999856\n7.87475 19.9322 61.2745 0.119906 0 -2.74223 -0.583389 0.137359 -0.800493 -0.999872\n4.72975 37.9427 52.149 0.258051 0 -3.87219 -0.993734 0.105203 0.0377466 -0.585186\n12.1537 25.1817 53.1334 -0.77617 0 4.2 -0.661385 0.74623 0.0755736 -0.6699\n8.19438 26.9964 68.6472 1.05195 0.0538184 -3.9 -0.782254 -0.131086 -0.609012 0.104065\n5.27987 34.4292 70.152 -1.76513 -0.860504 -3.5 -0.96371 -0.260353 -0.058981 0.999827\n6.45138 34.6719 67.8607 -1.22275 0 -3.5 -0.795469 -0.310472 -0.520419 0.181872\n9.0135 26.121 61.8076 -0.0409359 0 -3.2 -0.905212 -0.0201546 -0.424483 -0.340299\n8.9625 42.0046 59.7146 -0.234067 0 2.8 -0.00094176 0.867876 0.496779 0.0963648\n7.08506 25.3505 55.6256 -0.172094 0 -3.5 0.418232 0.907486 -0.0393951 -0.356642\n7.443 24.759 69.0175 0.328333 0 -1.3 -0.771263 0.556156 -0.309586 -0.999858\n9.46094 30.2706 60.0636 -0.590574 0 -1.3 -0.757638 0.298697 -0.580314 -0.0174942\n0.6285 21.4811 52.1151 0.539448 -0.144539 -0.737262 -0.999432 -0.0270008 0.0201699 -0.572842\n8.93437 25.0494 67.1601 0.407325 0 -1.3 -0.457052 0.756346 -0.468022 -0.0413235\n15.5162 29.8937 52.4536 -1.3085 0 4.13818 -0.785644 -0.604568 -0.131381 -0.99986\n10.514 23.2243 60.2902 -0.481034 -0.00466866 -3.2 -0.919313 -0.336703 -0.203702 -0.742594\n-4.38656 27.6653 46.7578 0.605644 0 -3.9 -0.427919 0.157365 -0.890012 0.731752\n13.3422 44.368 64.194 0.104434 0 4.5 0.175238 -0.129586 0.975961 -0.999894\n4.1155 24.3676 56.6188 0.17575 0 -3.5 -0.917539 0.294714 0.266958 0.210685\n10.9989 27.6357 49.6247 -1.66053 -0.00249695 1.8 -0.043147 0.618014 0.784982 -0.865121\n8.99519 20.2247 58.6381 -1.21251 -0.0165503 2.78068 -0.81858 0.498637 0.28511 -0.433318\n0.06475 22.7201 50.8789 0.511013 0 -3.95372 -0.693768 -0.183128 0.696527 -0.516404\n10.6209 35.3402 58.3358 -0.999927 0 -0.9 -0.50825 -0.145093 0.848899 -0.631976\n8.618 21.3573 60.86 0.0666387 0 -3.5 -0.343715 0.445778 -0.826524 -0.0395411\n14.9308 29.8177 51.0076 -1.20644 0 -1.3 -0.582635 -0.410852 0.70124 -0.999875\n-1.8095 30.8617 50.3097 0.776892 0 -3.9 0.0709087 0.995089 0.0690607 0.289186\n3.77925 38.2248 59.9565 0.0925371 0 2.8 -0.990576 0.0947619 0.0988911 0.74312\n10.1345 32.3676 58.2993 -0.665069 0 -0.9 -0.769849 0.121995 0.626458 -0.553328\n3.27213 32.1587 46.6862 0.517136 0 -4.5 -0.583351 -0.490088 -0.6477 -0.701576\n-3.32944 28.8596 50.9512 1.98934 0 -3.9 -0.00360303 0.113042 0.993584 0.433119\n12.553 39.8555 65.1683 0.00487541 0 -0.7 0.119352 0.945304 -0.303571 0.999901\n0.949375 31.3129 48.8875 0.0503197 -0.0584165 -3.5 -0.712946 0.167191 -0.680996 -0.340233\n5.16419 39.0239 56.6917 -0.340497 0 0.584248 -0.998202 0.0161473 0.0577181 -0.387821\n11.4404 36.0218 69.8107 0.505396 0 -1.48579 0.336812 0.849383 0.406332 -0.342247\n8.13969 24.3989 62.2977 0.0145765 0 -3.45514 -0.608031 0.496946 -0.619147 -0.102325\n11.541 30.3424 49.5719 -2.34216 -0.0245547 -3.5 -0.46214 -0.584668 0.666775 -0.999845\n10.6817 28.5497 57.5656 -1.01482 -0.666114 -0.829969 -0.913692 -0.393757 0.100612 -0.657618\n8.08106 24.1872 65.4217 0.456715 0 -1.3 -0.521492 0.83364 0.181908 -0.172361\n14.2211 38.2872 65.4898 0.134504 0 -0.7 0.536928 0.843368 0.0209614 0.108631\n-0.34375 18.7915 52.634 0.934924 0 -4.5 -0.821451 0.569543 -0.0289659 -0.539436\n-0.595875 31.6499 50.4596 1.01566 0.38088 -4.5 -0.981218 0.151028 -0.120011 0.157873\n8.304 23.3745 61.5635 0.00768106 0 -3.5 -0.226998 0.39634 -0.889599 -0.0990493\n7.8725 25.9025 70.1718 0.718872 0 -1.3 -0.984564 -0.174527 0.0131999 0.999905\n9.5705 30.1341 53.4544 -1.02006 0 -0.4 -0.106501 -0.963246 -0.246607 0.0372021\n5.43756 29.7788 52.3035 -0.219297 0 -0.4 0.0734788 -0.663814 0.74428 -0.495475\n-1.821 22.5905 47.1735 0.394783 0 -3.9 -0.778184 -0.173356 -0.603636 -0.521553\n8.107 24.136 59.38 0.0509344 0.783103 -3.5 -0.331134 -0.150943 0.931432 0.264778\n-0.670687 25.7483 50.7342 0.0899507 -0.0368802 -3.82464 -0.214501 0.308369 0.926768 -0.537329\n3.00463 34.3107 52.9813 0.0791011 0 -4.5 -0.123583 -0.139163 0.982528 -0.0759703\n7.94731 29.4373 64.8208 0.216816 0 -3.9 -0.652621 -0.70184 0.285493 0.250324\n8.47794 28.6665 49.6546 -1.60999 -0.288888 2.03236 0.63556 0.293316 0.714164 -0.999854\n9.79031 26.0373 51.8459 -0.426314 0 2.5 0.344659 0.739052 0.578803 0.113553\n11.2727 36.8846 59.2384 -0.36303 0 2.28549 -0.330512 -0.523858 0.78507 -0.47963\n3.96875 40.2901 54.2882 1.09589 0.570314 -0.8 -0.947641 0.246485 -0.203031 0.682268\n2.918 22.7163 55.6969 0.22312 0 -3.56349 -0.445702 0.364722 0.817513 0.129665\n7.78944 29.3296 51.2631 -2.4373 -0.202359 -0.4 0.773645 -0.43006 0.465319 -0.0230371\n3.78175 26.5874 50.6493 -0.273607 0 -3.5 -0.329386 -0.158257 0.930838 -0.59063\n9.13288 35.5687 71.7766 0.0931027 0 -3.5 0.0556969 0.0547113 0.996948 0.952507\n4.17131 21.201 55.6919 0.333781 0 -4.3789 -0.0929319 -0.333434 0.938182 -0.275885\n2.55456 23.2644 54.2938 0.327222 0 -4.5 -0.296382 0.877121 0.37791 -0.241428\n-2.06025 30.0991 47.9832 2.90686 0.187137 -3.9 0.470245 0.553253 -0.687591 0.821276\n16.5915 39.1849 64.033 0.030598 0 -0.7 -0.380731 0.486631 0.786279 -0.077238\n12.4444 30.678 52.281 -0.927369 0 -0.658767 -0.0171284 -0.962389 -0.271134 -0.394003\n9.30297 34.5453 64.6334 -0.21128 -0.109381 -3.61903 -0.621007 0.211447 -0.754745 -0.344794\n4.63875 24.8336 52.0076 0.637753 0 -3.13569 -0.675642 0.668728 0.310341 -0.611881\n15.5332 42.3968 57.5655 1.26433 0.623165 4.5 0.0697584 0.947242 -0.312836 0.999884\n8.92988 31.1874 57.3771 -0.156295 0 -0.9 -0.83946 -0.0856541 0.536629 0.459648\n9.575 31.5815 61.3295 -0.930596 0 -1.3 -0.542798 0.585181 -0.602439 -0.507356\n14.382 30.6306 51.9395 -0.689728 0 -0.089995 -0.267983 -0.912733 0.308388 -0.882387\n6.96469 23.2859 59.084 0.0492943 0 -3.5 -0.373001 -0.201172 0.905759 0.725945\n7.12575 22.5854 61.0256 -0.0591561 0 -3.5 -0.237472 0.214111 -0.947504 0.772739\n16.085 37.275 65.1503 -0.0407733 0 -3.5 -0.064427 0.885811 0.459553 -0.999812\n12.939 29.276 50.38 -1.40797 0 -0.111303 -0.43892 -0.291616 0.849888 -0.158597\n-0.00738432 25.7594 46.5276 2.01454 0.706245 -3.9 -0.314334 0.554187 -0.77076 -0.100295\n5.538 21.9725 61.5005 -0.925584 -0.0527347 -3.5 -0.656338 0.254053 -0.710407 0.999923\n7.1995 22.3 58.2171 0.559236 0 -3.5 -0.261703 -0.568849 0.779694 0.189457\n8.20528 25.3021 53.8666 -0.320405 0 0.754302 0.251889 0.907398 0.336422 -0.135004\n3 526 323 477\n3 709 323 526\n3 732 477 323\n3 526 477 163\n3 709 166 323\n3 526 431 709\n3 732 606 477\n3 323 183 732\n3 477 205 163\n3 163 431 526\n3 166 709 37\n3 183 323 166\n3 279 709 431\n3 732 165 606\n3 477 606 205\n3 732 183 519\n3 100 163 205\n3 365 431 163\n3 506 37 709\n3 166 37 27\n3 183 166 415\n3 96 709 279\n3 279 431 721\n3 165 732 693\n3 606 165 394\n3 606 333 205\n3 183 196 519\n3 519 693 732\n3 163 100 365\n3 421 100 205\n3 710 431 365\n3 37 506 527\n3 208 506 709\n3 27 37 527\n3 415 166 27\n3 415 702 183\n3 709 96 497\n3 279 721 96\n3 721 431 459\n3 394 165 693\n3 589 606 394\n3 224 333 606\n3 421 205 333\n3 183 702 196\n3 196 571 519\n3 591 693 519\n3 365 100 330\n3 421 330 100\n3 710 459 431\n3 710 365 261\n3 625 527 506\n3 208 728 506\n3 497 208 709\n3 656 27 527\n3 415 27 656\n3 415 656 702\n3 497 96 66\n3 721 66 96\n3 459 256 721\n3 394 693 239\n3 606 589 224\n3 589 394 462\n3 333 224 496\n3 333 483 421\n3 196 702 571\n3 677 519 571\n3 591 567 693\n3 591 519 677\n3 330 261 365\n3 330 421 269\n3 710 530 459\n3 602 710 261\n3 556 527 625\n3 506 113 625\n3 728 208 561\n3 506 728 113\n3 208 497 561\n3 656 527 460\n3 303 702 656\n3 497 66 282\n3 32 66 721\n3 256 459 530\n3 256 257 721\n3 693 567 239\n3 239 462 394\n3 589 582 224\n3 462 557 589\n3 496 224 582\n3 333 496 483\n3 236 421 483\n3 213 571 702\n3 69 677 571\n3 412 567 591\n3 677 733 591\n3 261 330 512\n3 236 269 421\n3 512 330 269\n3 479 530 710\n3 710 602 479\n3 326 602 261\n3 527 556 460\n3 215 556 625\n3 625 113 728\n3 734 728 561\n3 701 561 497\n3 656 460 652\n3 303 296 702\n3 303 656 652\n3 282 66 637\n3 701 497 282\n3 637 66 32\n3 716 32 721\n3 256 530 479\n3 368 257 256\n3 257 716 721\n3 567 19 239\n3 239 688 462\n3 589 410 582\n3 557 462 533\n3 589 557 410\n3 274 496 582\n3 483 496 503\n3 236 483 503\n3 223 571 213\n3 296 213 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247 150\n3 15 307 302\n3 623 75 569\n3 607 719 623\n3 9 719 575\n3 75 599 371\n3 307 15 568\n3 707 243 700\n3 106 529 700\n3 650 476 529\n3 376 59 319\n3 476 650 319\n3 315 376 306\n3 715 306 30\n3 660 715 30\n3 55 367 660\n3 320 457 289\n3 289 384 147\n3 320 504 551\n3 504 95 551\n3 50 95 640\n3 97 280 67\n3 280 505 77\n3 384 77 147\n3 97 67 56\n3 367 55 181\n3 360 56 181\n3 435 725 564\n3 498 687 230\n3 121 272 435\n3 230 687 272\n3 155 720 725\n3 684 480 720\n3 64 610 684\n3 423 453 639\n3 423 498 453\n3 631 452 657\n3 657 470 695\n3 470 406 88\n3 406 639 88\n3 132 187 642\n3 187 102 515\n3 568 102 374\n3 691 666 452\n3 271 299 726\n3 691 726 666\n3 271 500 299\n3 697 192 500\n3 697 132 642\n3 373 610 64\n3 572 516 444\n3 336 516 689\n3 689 300 336\n3 689 707 300\n3 53 684 49\n3 49 356 539\n3 64 53 373\n3 54 593 539\n3 741 593 347\n3 741 124 572\n3 627 158 89\n3 621 332 89\n3 544 332 621\n3 60 644 544\n3 640 644 338\n3 422 443 627\n3 641 454 366\n3 443 422 454\n3 601 424 68\n3 288 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347\n3 741 347 124\n3 686 572 124\n3 89 332 627\n3 332 544 663\n3 663 544 644\n3 2 644 640\n3 627 385 422\n3 366 454 178\n3 674 454 422\n3 424 288 68\n3 424 377 288\n3 377 254 599\n3 178 618 366\n3 424 618 178\n3 1 247 558\n3 94 558 375\n3 39 575 404\n3 580 576 150\n3 562 302 576\n3 580 247 1\n3 569 371 220\n3 569 220 110\n3 414 235 607\n3 235 426 719\n3 607 110 414\n3 404 719 426\n3 371 254 538\n3 740 243 736\n3 106 243 139\n3 529 487 703\n3 487 106 590\n3 703 679 650\n3 620 358 376\n3 620 319 308\n3 308 650 44\n3 660 358 635\n3 486 660 11\n3 360 55 486\n3 147 505 594\n3 594 543 504\n3 504 543 437\n3 437 704 640\n3 461 280 672\n3 97 252 672\n3 505 461 402\n3 252 97 360\n3 638 435 130\n3 687 649 523\n3 130 272 678\n3 678 687 312\n3 318 720 228\n3 570 228 155\n3 570 155 638\n3 720 724 356\n3 129 117 639\n3 311 423 117\n3 423 311 649\n3 628 657 597\n3 70 657 628\n3 470 70 363\n3 363 207 406\n3 129 406 207\n3 562 642 515\n3 515 302 562\n3 597 666 292\n3 71 299 434\n3 726 71 316\n3 292 666 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78\n3 364 117 129\n3 311 117 73\n3 649 311 149\n3 292 628 597\n3 363 70 628\n3 207 363 628\n3 129 207 450\n3 184 642 562\n3 101 71 434\n3 71 101 316\n3 316 682 292\n3 434 341 386\n3 119 391 585\n3 585 231 229\n3 341 391 180\n3 231 184 322\n3 226 686 489\n3 226 489 667\n3 482 736 667\n3 595 122 86\n3 595 646 593\n3 122 724 86\n3 646 52 125\n3 52 686 125\n3 653 586 332\n3 653 663 553\n3 663 259 553\n3 259 644 549\n3 644 522 727\n3 522 2 704\n3 189 385 586\n3 441 105 422\n3 441 385 647\n3 377 178 538\n3 432 538 674\n3 604 674 105\n3 191 260 558\n3 260 244 580\n3 197 562 144\n3 84 220 115\n3 617 220 84\n3 605 401 235\n3 605 414 617\n3 426 401 314\n3 432 115 538\n3 740 482 139\n3 139 482 108\n3 703 212 442\n3 108 156 590\n3 590 474 212\n3 442 291 703\n3 676 679 291\n3 679 419 44\n3 31 630 620\n3 358 630 534\n3 419 31 308\n3 635 534 362\n3 670 427 635\n3 11 427 670\n3 486 40 8\n3 40 11 309\n3 281 360 4\n3 8 4 486\n3 594 138 16\n3 217 543 16\n3 123 696 543\n3 704 696 263\n3 383 672 218\n3 252 664 671\n3 672 671 238\n3 369 402 383\n3 251 138 402\n3 281 664 360\n3 130 270 570\n3 161 523 149\n3 312 523 23\n3 678 93 270\n3 23 273 678\n3 318 468 724\n3 318 78 324\n3 78 570 154\n3 73 117 364\n3 450 364 129\n3 73 149 311\n3 628 292 682\n3 628 349 207\n3 197 184 562\n3 545 101 434\n3 48 316 101\n3 316 48 682\n3 386 341 180\n3 386 545 434\n3 659 391 119\n3 229 119 585\n3 694 229 231\n3 180 391 578\n3 322 184 197\n3 694 231 322\n3 489 686 463\n3 595 86 327\n3 595 471 646\n3 86 724 145\n3 52 646 337\n3 52 463 686\n3 653 339 586\n3 344 653 553\n3 549 553 259\n3 727 549 644\n3 737 727 522\n3 420 522 704\n3 385 189 647\n3 189 586 339\n3 584 105 441\n3 441 647 541\n3 432 674 370\n3 370 674 604\n3 584 604 105\n3 260 191 13\n3 260 13 244\n3 432 84 115\n3 84 432 617\n3 401 605 262\n3 42 314 401\n3 482 156 108\n3 156 474 590\n3 168 291 442\n3 676 670 679\n3 676 291 168\n3 419 679 635\n3 362 630 31\n3 362 534 630\n3 419 362 31\n3 362 419 635\n3 670 635 679\n3 309 11 670\n3 494 8 40\n3 309 286 40\n3 4 535 281\n3 535 4 8\n3 251 16 138\n3 217 123 543\n3 217 16 251\n3 696 123 263\n3 704 263 396\n3 672 238 218\n3 369 383 218\n3 664 411 671\n3 238 671 218\n3 369 301 402\n3 445 251 402\n3 335 664 281\n3 270 608 570\n3 636 523 161\n3 161 149 173\n3 626 23 523\n3 678 273 93\n3 93 608 270\n3 91 273 23\n3 318 324 468\n3 145 724 468\n3 324 78 154\n3 154 570 608\n3 73 364 74\n3 531 364 450\n3 98 149 73\n3 349 628 682\n3 545 353 101\n3 48 101 353\n3 48 353 682\n3 386 180 578\n3 545 386 739\n3 578 391 659\n3 659 119 528\n3 528 119 229\n3 528 229 694\n3 197 225 322\n3 694 322 600\n3 86 145 327\n3 595 327 471\n3 297 646 471\n3 646 297 337\n3 337 463 52\n3 653 344 339\n3 344 553 622\n3 549 554 553\n3 549 727 554\n3 737 458 727\n3 737 522 420\n3 704 737 420\n3 169 647 189\n3 339 203 189\n3 541 584 441\n3 541 647 488\n3 370 617 432\n3 604 12 370\n3 604 584 473\n3 42 401 262\n3 670 676 708\n3 708 309 670\n3 494 535 8\n3 40 286 494\n3 309 708 286\n3 281 535 335\n3 123 217 104\n3 547 217 251\n3 123 104 263\n3 328 396 263\n3 396 737 704\n3 369 218 502\n3 335 411 664\n3 411 148 671\n3 671 502 218\n3 513 301 369\n3 301 445 402\n3 555 251 445\n3 636 626 523\n3 161 173 636\n3 173 149 98\n3 91 23 626\n3 273 705 93\n3 608 93 705\n3 91 705 273\n3 468 324 633\n3 145 468 633\n3 324 154 103\n3 447 154 608\n3 74 364 531\n3 74 98 73\n3 284 531 450\n3 349 682 284\n3 596 353 545\n3 682 353 284\n3 157 386 578\n3 157 739 386\n3 545 739 390\n3 241 578 659\n3 659 528 455\n3 694 221 528\n3 600 322 225\n3 600 221 694\n3 633 327 145\n3 471 327 118\n3 471 118 297\n3 683 339 344\n3 131 622 553\n3 622 683 344\n3 553 554 131\n3 83 554 727\n3 204 458 737\n3 80 727 458\n3 647 169 43\n3 189 116 169\n3 339 418 203\n3 189 203 116\n3 240 584 541\n3 43 488 647\n3 541 488 354\n3 370 10 617\n3 604 473 12\n3 10 370 12\n3 584 563 473\n3 535 494 162\n3 286 58 494\n3 286 708 18\n3 346 335 535\n3 217 547 104\n3 251 555 547\n3 128 263 104\n3 328 232 396\n3 128 328 263\n3 61 737 396\n3 369 502 615\n3 411 335 227\n3 46 148 411\n3 148 502 671\n3 301 513 555\n3 369 615 513\n3 445 301 555\n3 636 143 626\n3 173 99 636\n3 173 98 430\n3 91 626 485\n3 90 608 705\n3 91 485 705\n3 633 324 200\n3 154 447 103\n3 200 324 103\n3 190 447 608\n3 74 531 665\n3 430 98 74\n3 284 596 531\n3 450 349 284\n3 353 596 284\n3 390 596 545\n3 578 209 157\n3 157 658 739\n3 658 390 739\n3 241 209 578\n3 241 659 499\n3 528 409 455\n3 659 455 583\n3 221 409 528\n3 167 600 225\n3 409 221 600\n3 428 327 633\n3 327 428 118\n3 418 339 683\n3 146 622 131\n3 131 554 290\n3 467 554 83\n3 83 727 392\n3 204 737 61\n3 392 727 80\n3 655 43 169\n3 116 655 169\n3 116 203 418\n3 240 563 584\n3 240 541 354\n3 164 354 488\n3 617 10 141\n3 12 473 140\n3 12 140 10\n3 473 563 439\n3 429 162 494\n3 346 535 162\n3 58 286 18\n3 58 429 494\n3 433 335 346\n3 104 547 57\n3 555 648 547\n3 128 104 57\n3 47 232 328\n3 396 232 61\n3 128 211 328\n3 615 502 395\n3 335 433 227\n3 46 411 227\n3 148 46 395\n3 148 395 502\n3 352 555 513\n3 352 513 615\n3 143 636 160\n3 143 485 626\n3 173 430 99\n3 99 151 636\n3 608 90 190\n3 90 705 176\n3 485 36 705\n3 200 587 633\n3 359 103 447\n3 200 103 359\n3 665 531 596\n3 665 430 74\n3 390 76 596\n3 209 469 157\n3 658 157 469\n3 658 171 390\n3 380 209 241\n3 499 659 583\n3 241 499 345\n3 455 409 25\n3 583 455 343\n3 600 167 409\n3 428 633 587\n3 418 683 655\n3 622 146 21\n3 290 146 131\n3 554 438 290\n3 554 467 438\n3 83 392 467\n3 204 61 114\n3 418 655 116\n3 240 614 563\n3 240 354 464\n3 378 354 164\n3 141 10 140\n3 439 140 473\n3 439 563 294\n3 429 425 162\n3 346 162 24\n3 58 18 5\n3 5 429 58\n3 24 433 346\n3 57 547 648\n3 186 648 555\n3 128 57 211\n3 232 47 645\n3 328 265 47\n3 645 61 232\n3 211 265 328\n3 395 723 615\n3 227 433 214\n3 46 227 395\n3 555 352 186\n3 352 615 723\n3 636 7 160\n3 99 430 711\n3 99 711 151\n3 151 313 636\n3 90 176 190\n3 176 705 36\n3 587 200 136\n3 136 200 359\n3 665 596 76\n3 665 711 430\n3 76 390 171\n3 380 469 209\n3 469 331 658\n3 171 658 351\n3 380 241 345\n3 0 499 583\n3 277 345 499\n3 409 495 25\n3 25 611 455\n3 455 611 343\n3 491 583 343\n3 409 167 495\n3 508 21 146\n3 146 290 508\n3 449 290 438\n3 114 61 645\n3 614 240 464\n3 563 614 294\n3 378 464 354\n3 425 429 34\n3 162 425 24\n3 5 34 429\n3 619 433 24\n3 57 648 211\n3 648 186 699\n3 265 645 47\n3 265 211 643\n3 395 227 723\n3 662 214 433\n3 723 227 214\n3 509 186 352\n3 352 723 509\n3 7 636 313\n3 313 151 711\n3 665 76 711\n3 76 171 381\n3 521 469 380\n3 521 331 469\n3 658 331 351\n3 171 351 109\n3 345 195 380\n3 0 277 499\n3 583 491 0\n3 195 345 277\n3 491 343 611\n3 21 508 379\n3 290 449 508\n3 614 464 731\n3 614 120 294\n3 82 464 378\n3 234 24 425\n3 662 433 619\n3 24 490 619\n3 648 643 211\n3 186 509 699\n3 648 699 643\n3 28 645 265\n3 643 153 265\n3 214 662 723\n3 662 509 723\n3 313 711 566\n3 711 76 381\n3 381 171 109\n3 521 380 195\n3 521 511 331\n3 137 351 331\n3 351 137 109\n3 389 277 0\n3 389 0 491\n3 277 624 195\n3 82 731 464\n3 614 731 63\n3 63 120 614\n3 135 82 378\n3 24 234 490\n3 662 619 456\n3 598 619 490\n3 159 699 509\n3 22 643 699\n3 153 28 265\n3 22 153 643\n3 509 662 456\n3 711 381 566\n3 195 511 521\n3 277 389 624\n3 624 511 195\n3 135 731 82\n3 355 490 234\n3 619 598 456\n3 490 399 598\n3 699 159 22\n3 509 451 159\n3 172 153 22\n3 456 451 509\n3 135 127 731\n3 490 355 399\n3 456 598 112\n3 172 22 159\n3 451 172 159\n3 456 112 451\n3 92 399 355\n3 598 6 112\n3 17 92 355\n" }, { "path": "data/2br1_ligand.mol2", "content": "#\tName:\t\t\t2br1_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:49:01 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:49:01 2018\n\n@MOLECULE\n2br1_ligand\n 50 53 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 CAB 18.9620 -8.0070 12.9180 C.3 1 PFP 0.2800 \n 2 OAS 17.6310 -7.6670 12.5680 O.3 1 PFP -0.3625 \n 3 CAV 17.6080 -6.4090 11.9280 C.ar 1 PFP 0.0825 \n 4 CAG 18.3940 -5.3380 12.4250 C.ar 1 PFP -0.1500 \n 5 CAK 18.3210 -4.0440 11.7950 C.ar 1 PFP -0.1500 \n 6 CAF 16.7450 -6.1960 10.8440 C.ar 1 PFP -0.1500 \n 7 CAJ 16.6770 -4.9250 10.2200 C.ar 1 PFP -0.1500 \n 8 CAX 17.4810 -3.8550 10.6780 C.ar 1 PFP 0.0540 \n 9 CBA 17.3310 -2.4950 10.0540 C.2 1 PFP -0.0540 \n 10 CBC 16.1970 -1.8060 9.9290 C.ar 1 PFP 0.0000 \n 11 CAY 14.9220 -1.9560 10.4670 C.ar 1 PFP 0.4100 \n 12 NAQ 14.6190 -3.0080 11.2120 N.pl3 1 PFP -0.8691 \n 13 CAN 13.2030 -3.2550 11.6010 C.3 1 PFP 0.3691 \n 14 CAM 12.5240 -2.3810 12.7310 C.3 1 PFP 0.2800 \n 15 OAC 12.1040 -0.9840 12.4450 O.3 1 PFP -0.6800 \n 16 NAO 13.9850 -1.0330 10.2090 N.ar 1 PFP -0.6200 \n 17 CAL 14.2790 0.0380 9.4700 C.ar 1 PFP 0.4700 \n 18 NAP 15.5230 0.2070 8.9640 N.ar 1 PFP -0.5670 \n 19 CBB 16.4790 -0.7010 9.1890 C.ar 1 PFP 0.3970 \n 20 OAT 17.7140 -0.7390 8.8380 O.3 1 PFP -0.2800 \n 21 CAZ 18.2670 -1.8180 9.2740 C.2 1 PFP 0.0870 \n 22 CAW 19.5820 -2.1570 9.0700 C.ar 1 PFP 0.0530 \n 23 CAH 20.4510 -1.2110 8.5100 C.ar 1 PFP -0.1500 \n 24 CAD 21.7700 -1.5370 8.2650 C.ar 1 PFP -0.1500 \n 25 CAU 22.2320 -2.8040 8.5440 C.ar 1 PFP 0.0825 \n 26 OAR 23.5290 -3.1180 8.3000 O.3 1 PFP -0.3625 \n 27 CAA 24.5290 -2.0490 8.1770 C.3 1 PFP 0.2800 \n 28 CAE 21.3610 -3.7670 9.0800 C.ar 1 PFP -0.1500 \n 29 CAI 20.0290 -3.4400 9.3210 C.ar 1 PFP -0.1500 \n 30 H1 18.9710 -8.9879 13.4158 H 1 PFP 0.0000 \n 31 H2 19.3675 -7.2457 13.6006 H 1 PFP 0.0000 \n 32 H3 19.5802 -8.0514 12.0092 H 1 PFP 0.0000 \n 33 H4 19.0475 -5.4924 13.2760 H 1 PFP 0.1500 \n 34 H5 18.9098 -3.2186 12.1784 H 1 PFP 0.1500 \n 35 H6 16.1259 -7.0082 10.4807 H 1 PFP 0.1500 \n 36 H7 16.0032 -4.7717 9.3848 H 1 PFP 0.1500 \n 37 H8 15.3601 -3.6531 11.5213 H 1 PFP 0.4000 \n 38 H9 13.1438 -4.3022 11.9324 H 1 PFP 0.0000 \n 39 H10 12.5975 -3.1232 10.6922 H 1 PFP 0.0000 \n 40 H11 13.2387 -2.3320 13.5657 H 1 PFP 0.0000 \n 41 H12 11.6223 -2.9232 13.0517 H 1 PFP 0.0000 \n 42 H13 12.8620 -0.4734 12.1858 H 1 PFP 0.4000 \n 43 H14 13.5140 0.7803 9.2728 H 1 PFP 0.1500 \n 44 H15 20.0861 -0.2193 8.2682 H 1 PFP 0.1500 \n 45 H16 22.4432 -0.7943 7.8523 H 1 PFP 0.1500 \n 46 H17 25.5167 -2.4917 7.9811 H 1 PFP 0.0000 \n 47 H18 24.5652 -1.4713 9.1124 H 1 PFP 0.0000 \n 48 H19 24.2540 -1.3835 7.3454 H 1 PFP 0.0000 \n 49 H20 21.7251 -4.7628 9.3056 H 1 PFP 0.1500 \n 50 H21 19.3455 -4.1891 9.7040 H 1 PFP 0.1500 \n@BOND\n 1 1 2 1 \n 2 2 3 1 \n 3 3 4 ar \n 4 3 6 ar \n 5 4 5 ar \n 6 5 8 ar \n 7 6 7 ar \n 8 7 8 ar \n 9 8 9 1 \n 10 9 10 1 \n 11 9 21 2 \n 12 10 11 ar \n 13 10 19 ar \n 14 11 12 1 \n 15 11 16 ar \n 16 12 13 1 \n 17 13 14 1 \n 18 14 15 1 \n 19 16 17 ar \n 20 17 18 ar \n 21 18 19 ar \n 22 19 20 1 \n 23 20 21 1 \n 24 21 22 1 \n 25 22 23 ar \n 26 22 29 ar \n 27 23 24 ar \n 28 24 25 ar \n 29 25 26 1 \n 30 25 28 ar \n 31 26 27 1 \n 32 28 29 ar \n 33 1 30 1 \n 34 1 31 1 \n 35 1 32 1 \n 36 4 33 1 \n 37 5 34 1 \n 38 6 35 1 \n 39 7 36 1 \n 40 12 37 1 \n 41 13 38 1 \n 42 13 39 1 \n 43 14 40 1 \n 44 14 41 1 \n 45 15 42 1 \n 46 17 43 1 \n 47 23 44 1 \n 48 24 45 1 \n 49 27 46 1 \n 50 27 47 1 \n 51 27 48 1 \n 52 28 49 1 \n 53 29 50 1 \n@SUBSTRUCTURE\n 1 PFP 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 1 CR 13 CR 14 CR 27 CR 21 C5A 19 C5A 9 C5B 10 C5B 3 CB 4 CB 5 CB \\\n6 CB 7 CB 8 CB 11 CB 17 CB 22 CB 23 CB 24 CB 25 CB 28 CB \\\n29 CB 30 HC 31 HC 32 HC 33 HC 34 HC 35 HC 36 HC 38 HC \\\n39 HC 40 HC 41 HC 43 HC 44 HC 45 HC 46 HC 47 HC 48 HC \\\n49 HC 50 HC 37 HNCC 42 HOR 20 OFUR 2 OC=C 26 OC=C 15 OR \\\n16 NPYD 18 NPYD 12 NC=N \n" }, { "path": "data/2br1_protein.pdb", "content": "HEADER 2BR1_PROTEIN \nCOMPND 2BR1_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 12-MAR-16 \nSEQRES 1 A 43 ALA VAL PRO PHE VAL GLU ASP TRP ASP LEU VAL GLN THR \nSEQRES 2 A 43 LEU GLY GLU GLY ALA TYR GLY GLU VAL GLN LEU ALA VAL \nSEQRES 3 A 43 ASN ARG VAL THR GLU GLU ALA VAL ALA VAL LYS ILE VAL \nSEQRES 4 A 43 ASP MET LYS ARG \nSEQRES 1 A 229 CYS PRO GLU ASN ILE LYS LYS GLU ILE CYS ILE ASN LYS \nSEQRES 2 A 229 MET LEU ASN HIS GLU ASN VAL VAL LYS PHE TYR GLY HIS \nSEQRES 3 A 229 ARG ARG GLU GLY ASN ILE GLN TYR LEU PHE LEU GLU TYR \nSEQRES 4 A 229 CYS SER GLY GLY GLU LEU PHE ASP ARG ILE GLU PRO ASP \nSEQRES 5 A 229 ILE GLY MET PRO GLU PRO ASP ALA GLN ARG PHE PHE HIS \nSEQRES 6 A 229 GLN LEU MET ALA GLY VAL VAL TYR LEU HIS GLY ILE GLY \nSEQRES 7 A 229 ILE THR HIS ARG ASP ILE LYS PRO GLU ASN LEU LEU LEU \nSEQRES 8 A 229 ASP GLU ARG ASP ASN LEU LYS ILE SER ASP PHE GLY LEU \nSEQRES 9 A 229 ALA THR VAL PHE ARG TYR ASN ASN ARG GLU ARG LEU LEU \nSEQRES 10 A 229 ASN LYS MET CYS GLY THR LEU PRO TYR VAL ALA PRO GLU \nSEQRES 11 A 229 LEU LEU LYS ARG ARG GLU PHE HIS ALA GLU PRO VAL ASP \nSEQRES 12 A 229 VAL TRP SER CYS GLY ILE VAL LEU THR ALA MET LEU ALA \nSEQRES 13 A 229 GLY GLU LEU PRO TRP ASP GLN PRO SER ASP SER CYS GLN \nSEQRES 14 A 229 GLU TYR SER ASP TRP LYS GLU LYS LYS THR TYR LEU ASN \nSEQRES 15 A 229 PRO TRP LYS LYS ILE ASP SER ALA PRO LEU ALA LEU LEU \nSEQRES 16 A 229 HIS LYS ILE LEU VAL GLU ASN PRO SER ALA ARG ILE THR \nSEQRES 17 A 229 ILE PRO ASP ILE LYS LYS ASP ARG TRP TYR ASN LYS PRO \nSEQRES 18 A 229 LEU LYS LYS GLY ALA LYS ARG PRO \nATOM 1 N ALA A 2 -0.019 8.696 -11.245 1.00 -0.82 N \nATOM 2 CA ALA A 2 -0.304 8.416 -12.683 1.00 0.04 C \nATOM 3 C ALA A 2 0.937 7.897 -13.407 1.00 0.62 C \nATOM 4 O ALA A 2 0.845 7.440 -14.548 1.00 -0.50 O \nATOM 5 CB ALA A 2 -0.843 9.675 -13.374 1.00 -0.10 C \nATOM 6 HA ALA A 2 -1.079 7.637 -12.733 1.00 0.05 H \nATOM 7 HB1 ALA A 2 -1.048 9.453 -14.432 1.00 0.04 H \nATOM 8 HB2 ALA A 2 -1.772 9.995 -12.880 1.00 0.04 H \nATOM 9 HB3 ALA A 2 -0.095 10.479 -13.306 1.00 0.04 H \nATOM 10 H ALA A 2 0.918 8.639 -10.901 1.00 0.30 H \nATOM 11 HNCA ALA A 2 -0.780 8.946 -10.614 1.00 0.30 H \nATOM 12 N VAL A 3 2.087 7.963 -12.736 1.00 -0.42 N \nATOM 13 CA VAL A 3 3.352 7.445 -13.269 1.00 -0.09 C \nATOM 14 C VAL A 3 3.349 5.897 -13.240 1.00 0.60 C \nATOM 15 O VAL A 3 3.255 5.297 -12.165 1.00 -0.57 O \nATOM 16 CB VAL A 3 4.568 8.014 -12.485 1.00 0.30 C \nATOM 17 CG1 VAL A 3 5.897 7.476 -13.044 1.00 -0.32 C \nATOM 18 CG2 VAL A 3 4.557 9.550 -12.511 1.00 -0.32 C \nATOM 19 HA VAL A 3 3.441 7.769 -14.316 1.00 0.10 H \nATOM 20 HB VAL A 3 4.481 7.687 -11.438 1.00 -0.03 H \nATOM 21 HG11 VAL A 3 5.990 7.758 -14.103 1.00 0.08 H \nATOM 22 HG12 VAL A 3 6.735 7.905 -12.475 1.00 0.08 H \nATOM 23 HG13 VAL A 3 5.916 6.380 -12.954 1.00 0.08 H \nATOM 24 HG21 VAL A 3 3.625 9.918 -12.056 1.00 0.08 H \nATOM 25 HG22 VAL A 3 5.418 9.933 -11.943 1.00 0.08 H \nATOM 26 HG23 VAL A 3 4.620 9.900 -13.552 1.00 0.08 H \nATOM 27 H VAL A 3 2.087 8.384 -11.829 1.00 0.27 H \nATOM 28 N PRO A 4 3.437 5.274 -14.424 1.00 -0.25 N \nATOM 29 CA PRO A 4 3.235 3.823 -14.617 1.00 -0.03 C \nATOM 30 C PRO A 4 3.791 2.767 -13.635 1.00 0.59 C \nATOM 31 O PRO A 4 3.126 1.725 -13.525 1.00 -0.57 O \nATOM 32 CB PRO A 4 3.863 3.584 -15.991 1.00 -0.01 C \nATOM 33 CG PRO A 4 3.595 4.828 -16.734 1.00 0.02 C \nATOM 34 CD PRO A 4 3.689 5.942 -15.718 1.00 0.02 C \nATOM 35 HA PRO A 4 2.149 3.651 -14.664 1.00 0.06 H \nATOM 36 HD3 PRO A 4 2.930 6.713 -15.913 1.00 0.04 H \nATOM 37 HD2 PRO A 4 4.689 6.400 -15.733 1.00 0.04 H \nATOM 38 HG3 PRO A 4 2.590 4.799 -17.179 1.00 0.02 H \nATOM 39 HG2 PRO A 4 4.344 4.969 -17.528 1.00 0.02 H \nATOM 40 HB2 PRO A 4 4.945 3.410 -15.900 1.00 0.03 H \nATOM 41 HB3 PRO A 4 3.394 2.723 -16.490 1.00 0.03 H \nATOM 42 N PHE A 5 4.941 2.959 -12.985 1.00 -0.42 N \nATOM 43 CA PHE A 5 5.546 1.842 -12.216 1.00 -0.00 C \nATOM 44 C PHE A 5 5.919 2.137 -10.758 1.00 0.60 C \nATOM 45 O PHE A 5 6.584 1.308 -10.118 1.00 -0.57 O \nATOM 46 CB PHE A 5 6.818 1.323 -12.912 1.00 -0.03 C \nATOM 47 CG PHE A 5 6.676 1.130 -14.384 1.00 0.01 C \nATOM 48 CD1 PHE A 5 7.364 1.950 -15.274 1.00 -0.13 C \nATOM 49 CD2 PHE A 5 5.880 0.117 -14.881 1.00 -0.13 C \nATOM 50 CE1 PHE A 5 7.253 1.769 -16.619 1.00 -0.17 C \nATOM 51 CE2 PHE A 5 5.759 -0.072 -16.236 1.00 -0.17 C \nATOM 52 CZ PHE A 5 6.447 0.763 -17.116 1.00 -0.11 C \nATOM 53 HA PHE A 5 4.802 1.032 -12.204 1.00 0.10 H \nATOM 54 HB2 PHE A 5 7.627 2.047 -12.736 1.00 0.03 H \nATOM 55 HB3 PHE A 5 7.087 0.356 -12.462 1.00 0.03 H \nATOM 56 HD2 PHE A 5 5.347 -0.534 -14.197 1.00 0.13 H \nATOM 57 HE2 PHE A 5 5.131 -0.868 -16.620 1.00 0.14 H \nATOM 58 HZ PHE A 5 6.350 0.623 -18.187 1.00 0.13 H \nATOM 59 HE1 PHE A 5 7.797 2.414 -17.300 1.00 0.14 H \nATOM 60 HD1 PHE A 5 7.996 2.743 -14.891 1.00 0.13 H \nATOM 61 H PHE A 5 5.393 3.851 -13.016 1.00 0.27 H \nATOM 62 N VAL A 6 5.476 3.280 -10.233 1.00 -0.42 N \nATOM 63 CA VAL A 6 5.963 3.779 -8.936 1.00 -0.09 C \nATOM 64 C VAL A 6 5.512 2.955 -7.700 1.00 0.60 C \nATOM 65 O VAL A 6 6.043 3.163 -6.599 1.00 -0.57 O \nATOM 66 CB VAL A 6 5.612 5.283 -8.720 1.00 0.30 C \nATOM 67 CG1 VAL A 6 6.377 5.862 -7.527 1.00 -0.32 C \nATOM 68 CG2 VAL A 6 5.916 6.109 -9.988 1.00 -0.32 C \nATOM 69 HA VAL A 6 7.060 3.706 -8.976 1.00 0.10 H \nATOM 70 HB VAL A 6 4.535 5.356 -8.509 1.00 -0.03 H \nATOM 71 HG11 VAL A 6 7.459 5.767 -7.704 1.00 0.08 H \nATOM 72 HG12 VAL A 6 6.118 6.924 -7.406 1.00 0.08 H \nATOM 73 HG13 VAL A 6 6.104 5.311 -6.615 1.00 0.08 H \nATOM 74 HG21 VAL A 6 5.327 5.718 -10.830 1.00 0.08 H \nATOM 75 HG22 VAL A 6 5.650 7.162 -9.812 1.00 0.08 H \nATOM 76 HG23 VAL A 6 6.988 6.036 -10.225 1.00 0.08 H \nATOM 77 H VAL A 6 4.794 3.813 -10.734 1.00 0.27 H \nATOM 78 N GLU A 7 4.565 2.020 -7.889 1.00 -0.52 N \nATOM 79 CA GLU A 7 4.138 1.092 -6.818 1.00 0.04 C \nATOM 80 C GLU A 7 5.031 -0.163 -6.757 1.00 0.54 C \nATOM 81 O GLU A 7 4.789 -1.058 -5.922 1.00 -0.58 O \nATOM 82 CB GLU A 7 2.657 0.667 -6.990 1.00 0.06 C \nATOM 83 CG GLU A 7 1.624 1.584 -6.317 1.00 0.01 C \nATOM 84 CD GLU A 7 1.325 1.214 -4.862 1.00 0.81 C \nATOM 85 OE1 GLU A 7 1.399 2.111 -3.983 1.00 -0.82 O \nATOM 86 OE2 GLU A 7 1.013 0.033 -4.587 1.00 -0.82 O \nATOM 87 HA GLU A 7 4.232 1.623 -5.859 1.00 0.11 H \nATOM 88 HB2 GLU A 7 2.435 0.639 -8.067 1.00 -0.02 H \nATOM 89 HB3 GLU A 7 2.542 -0.341 -6.566 1.00 -0.02 H \nATOM 90 HG2 GLU A 7 2.007 2.615 -6.341 1.00 -0.04 H \nATOM 91 HG3 GLU A 7 0.686 1.528 -6.889 1.00 -0.04 H \nATOM 92 H GLU A 7 4.132 1.949 -8.788 1.00 0.29 H \nATOM 93 N ASP A 8 6.049 -0.233 -7.632 1.00 -0.52 N \nATOM 94 CA ASP A 8 6.972 -1.381 -7.674 1.00 0.04 C \nATOM 95 C ASP A 8 8.272 -1.165 -6.939 1.00 0.54 C \nATOM 96 O ASP A 8 8.986 -0.185 -7.198 1.00 -0.58 O \nATOM 97 CB ASP A 8 7.357 -1.748 -9.100 1.00 -0.03 C \nATOM 98 CG ASP A 8 6.311 -2.535 -9.791 1.00 0.80 C \nATOM 99 OD1 ASP A 8 5.454 -3.130 -9.097 1.00 -0.80 O \nATOM 100 OD2 ASP A 8 6.279 -2.612 -11.037 1.00 -0.80 O \nATOM 101 HA ASP A 8 6.451 -2.234 -7.215 1.00 0.09 H \nATOM 102 HB2 ASP A 8 7.532 -0.822 -9.667 1.00 -0.01 H \nATOM 103 HB3 ASP A 8 8.283 -2.341 -9.073 1.00 -0.01 H \nATOM 104 H ASP A 8 6.185 0.520 -8.276 1.00 0.29 H \nATOM 105 N TRP A 9 8.584 -2.153 -6.092 1.00 -0.42 N \nATOM 106 CA TRP A 9 9.756 -2.190 -5.232 1.00 -0.03 C \nATOM 107 C TRP A 9 10.507 -3.472 -5.480 1.00 0.60 C \nATOM 108 O TRP A 9 9.902 -4.532 -5.604 1.00 -0.57 O \nATOM 109 CB TRP A 9 9.317 -2.150 -3.759 1.00 -0.01 C \nATOM 110 CG TRP A 9 8.529 -0.913 -3.457 1.00 -0.14 C \nATOM 111 CD1 TRP A 9 7.228 -0.687 -3.756 1.00 -0.16 C \nATOM 112 CD2 TRP A 9 9.008 0.270 -2.830 1.00 0.12 C \nATOM 113 NE1 TRP A 9 6.860 0.571 -3.350 1.00 -0.34 N \nATOM 114 CE2 TRP A 9 7.942 1.181 -2.781 1.00 0.14 C \nATOM 115 CE3 TRP A 9 10.246 0.666 -2.321 1.00 -0.24 C \nATOM 116 CZ2 TRP A 9 8.065 2.456 -2.219 1.00 -0.26 C \nATOM 117 CZ3 TRP A 9 10.365 1.918 -1.758 1.00 -0.20 C \nATOM 118 CH2 TRP A 9 9.283 2.802 -1.716 1.00 -0.11 C \nATOM 119 HA TRP A 9 10.404 -1.329 -5.451 1.00 0.11 H \nATOM 120 HB2 TRP A 9 8.694 -3.032 -3.547 1.00 0.03 H \nATOM 121 HB3 TRP A 9 10.211 -2.170 -3.118 1.00 0.03 H \nATOM 122 HE1 TRP A 9 5.924 0.986 -3.457 1.00 0.34 H \nATOM 123 HD1 TRP A 9 6.569 -1.401 -4.248 1.00 0.21 H \nATOM 124 HZ2 TRP A 9 7.225 3.141 -2.185 1.00 0.16 H \nATOM 125 HH2 TRP A 9 9.416 3.783 -1.274 1.00 0.14 H \nATOM 126 HZ3 TRP A 9 11.317 2.224 -1.339 1.00 0.14 H \nATOM 127 HE3 TRP A 9 11.100 -0.000 -2.368 1.00 0.17 H \nATOM 128 H TRP A 9 7.958 -2.932 -6.047 1.00 0.27 H \nATOM 129 N ASP A 10 11.824 -3.383 -5.576 1.00 -0.52 N \nATOM 130 CA ASP A 10 12.661 -4.560 -5.643 1.00 0.04 C \nATOM 131 C ASP A 10 13.134 -4.867 -4.233 1.00 0.54 C \nATOM 132 O ASP A 10 13.423 -3.955 -3.477 1.00 -0.58 O \nATOM 133 CB ASP A 10 13.864 -4.308 -6.546 1.00 -0.03 C \nATOM 134 CG ASP A 10 13.455 -3.981 -7.954 1.00 0.80 C \nATOM 135 OD1 ASP A 10 14.039 -3.046 -8.563 1.00 -0.80 O \nATOM 136 OD2 ASP A 10 12.522 -4.596 -8.503 1.00 -0.80 O \nATOM 137 HA ASP A 10 12.081 -5.408 -6.037 1.00 0.09 H \nATOM 138 HB2 ASP A 10 14.442 -3.465 -6.140 1.00 -0.01 H \nATOM 139 HB3 ASP A 10 14.492 -5.211 -6.560 1.00 -0.01 H \nATOM 140 H ASP A 10 12.251 -2.479 -5.603 1.00 0.29 H \nATOM 141 N LEU A 11 13.218 -6.148 -3.886 1.00 -0.42 N \nATOM 142 CA LEU A 11 13.693 -6.538 -2.572 1.00 -0.05 C \nATOM 143 C LEU A 11 15.169 -6.887 -2.770 1.00 0.60 C \nATOM 144 O LEU A 11 15.513 -7.896 -3.376 1.00 -0.57 O \nATOM 145 CB LEU A 11 12.862 -7.693 -1.996 1.00 -0.11 C \nATOM 146 CG LEU A 11 11.368 -7.450 -1.679 1.00 0.35 C \nATOM 147 CD1 LEU A 11 11.161 -6.664 -0.390 1.00 -0.41 C \nATOM 148 CD2 LEU A 11 10.625 -6.751 -2.801 1.00 -0.41 C \nATOM 149 HA LEU A 11 13.613 -5.685 -1.882 1.00 0.09 H \nATOM 150 HB2 LEU A 11 12.908 -8.518 -2.722 1.00 0.05 H \nATOM 151 HB3 LEU A 11 13.345 -8.003 -1.058 1.00 0.05 H \nATOM 152 HG LEU A 11 10.908 -8.440 -1.543 1.00 -0.04 H \nATOM 153 HD21 LEU A 11 10.684 -7.360 -3.715 1.00 0.10 H \nATOM 154 HD22 LEU A 11 9.571 -6.619 -2.516 1.00 0.10 H \nATOM 155 HD23 LEU A 11 11.081 -5.767 -2.986 1.00 0.10 H \nATOM 156 HD11 LEU A 11 11.660 -5.687 -0.472 1.00 0.10 H \nATOM 157 HD12 LEU A 11 10.085 -6.513 -0.221 1.00 0.10 H \nATOM 158 HD13 LEU A 11 11.589 -7.225 0.454 1.00 0.10 H \nATOM 159 H LEU A 11 12.949 -6.854 -4.541 1.00 0.27 H \nATOM 160 N VAL A 12 16.025 -6.017 -2.254 1.00 -0.42 N \nATOM 161 CA VAL A 12 17.432 -5.899 -2.643 1.00 -0.09 C \nATOM 162 C VAL A 12 18.389 -6.650 -1.715 1.00 0.60 C \nATOM 163 O VAL A 12 19.466 -7.079 -2.140 1.00 -0.57 O \nATOM 164 CB VAL A 12 17.813 -4.377 -2.705 1.00 0.30 C \nATOM 165 CG1 VAL A 12 19.303 -4.112 -2.428 1.00 -0.32 C \nATOM 166 CG2 VAL A 12 17.417 -3.817 -4.049 1.00 -0.32 C \nATOM 167 HA VAL A 12 17.541 -6.328 -3.650 1.00 0.10 H \nATOM 168 HB VAL A 12 17.234 -3.855 -1.929 1.00 -0.03 H \nATOM 169 HG11 VAL A 12 19.915 -4.646 -3.170 1.00 0.08 H \nATOM 170 HG12 VAL A 12 19.502 -3.032 -2.497 1.00 0.08 H \nATOM 171 HG13 VAL A 12 19.557 -4.468 -1.419 1.00 0.08 H \nATOM 172 HG21 VAL A 12 16.333 -3.940 -4.193 1.00 0.08 H \nATOM 173 HG22 VAL A 12 17.674 -2.748 -4.091 1.00 0.08 H \nATOM 174 HG23 VAL A 12 17.955 -4.355 -4.843 1.00 0.08 H \nATOM 175 H VAL A 12 15.686 -5.396 -1.548 1.00 0.27 H \nATOM 176 N GLN A 13 18.008 -6.775 -0.441 1.00 -0.42 N \nATOM 177 CA GLN A 13 18.751 -7.604 0.501 1.00 -0.00 C \nATOM 178 C GLN A 13 18.012 -7.796 1.801 1.00 0.60 C \nATOM 179 O GLN A 13 17.072 -7.077 2.099 1.00 -0.57 O \nATOM 180 CB GLN A 13 20.125 -7.025 0.813 1.00 -0.00 C \nATOM 181 CG GLN A 13 20.153 -5.579 1.247 1.00 -0.06 C \nATOM 182 CD GLN A 13 21.580 -5.074 1.352 1.00 0.70 C \nATOM 183 OE1 GLN A 13 22.248 -5.259 2.394 1.00 -0.61 O \nATOM 184 NE2 GLN A 13 22.076 -4.468 0.261 1.00 -0.94 N \nATOM 185 HA GLN A 13 18.890 -8.591 0.035 1.00 0.09 H \nATOM 186 HB2 GLN A 13 20.568 -7.627 1.620 1.00 0.02 H \nATOM 187 HB3 GLN A 13 20.742 -7.116 -0.093 1.00 0.02 H \nATOM 188 HG2 GLN A 13 19.609 -4.971 0.510 1.00 0.04 H \nATOM 189 HG3 GLN A 13 19.665 -5.488 2.229 1.00 0.04 H \nATOM 190 HE22 GLN A 13 23.011 -4.113 0.268 1.00 0.43 H \nATOM 191 HE21 GLN A 13 21.510 -4.371 -0.558 1.00 0.43 H \nATOM 192 H GLN A 13 17.193 -6.288 -0.125 1.00 0.27 H \nATOM 193 N THR A 14 18.450 -8.791 2.565 1.00 -0.42 N \nATOM 194 CA THR A 14 17.931 -8.993 3.911 1.00 -0.04 C \nATOM 195 C THR A 14 18.728 -8.082 4.839 1.00 0.60 C \nATOM 196 O THR A 14 19.965 -8.106 4.845 1.00 -0.57 O \nATOM 197 CB THR A 14 18.046 -10.471 4.321 1.00 0.37 C \nATOM 198 OG1 THR A 14 17.346 -11.280 3.361 1.00 -0.68 O \nATOM 199 CG2 THR A 14 17.310 -10.740 5.638 1.00 -0.24 C \nATOM 200 HA THR A 14 16.870 -8.703 3.942 1.00 0.10 H \nATOM 201 HB THR A 14 19.105 -10.760 4.395 1.00 0.00 H \nATOM 202 HG1 THR A 14 17.413 -12.195 3.609 1.00 0.41 H \nATOM 203 HG23 THR A 14 18.032 -10.741 6.468 1.00 0.06 H \nATOM 204 HG21 THR A 14 16.560 -9.953 5.806 1.00 0.06 H \nATOM 205 HG22 THR A 14 16.810 -11.718 5.585 1.00 0.06 H \nATOM 206 H THR A 14 19.148 -9.412 2.210 1.00 0.27 H \nATOM 207 N LEU A 15 18.022 -7.242 5.580 1.00 -0.42 N \nATOM 208 CA LEU A 15 18.665 -6.420 6.605 1.00 -0.05 C \nATOM 209 C LEU A 15 18.984 -7.256 7.847 1.00 0.60 C \nATOM 210 O LEU A 15 20.049 -7.120 8.444 1.00 -0.57 O \nATOM 211 CB LEU A 15 17.772 -5.246 6.966 1.00 -0.11 C \nATOM 212 CG LEU A 15 17.874 -3.956 6.132 1.00 0.35 C \nATOM 213 CD1 LEU A 15 18.989 -3.965 5.067 1.00 -0.41 C \nATOM 214 CD2 LEU A 15 16.527 -3.562 5.551 1.00 -0.41 C \nATOM 215 HA LEU A 15 19.609 -6.029 6.198 1.00 0.09 H \nATOM 216 HB2 LEU A 15 16.732 -5.596 6.895 1.00 0.05 H \nATOM 217 HB3 LEU A 15 17.997 -4.976 8.008 1.00 0.05 H \nATOM 218 HG LEU A 15 18.148 -3.161 6.842 1.00 -0.04 H \nATOM 219 HD21 LEU A 15 15.808 -3.403 6.368 1.00 0.10 H \nATOM 220 HD22 LEU A 15 16.635 -2.633 4.972 1.00 0.10 H \nATOM 221 HD23 LEU A 15 16.163 -4.365 4.893 1.00 0.10 H \nATOM 222 HD11 LEU A 15 18.819 -4.795 4.365 1.00 0.10 H \nATOM 223 HD12 LEU A 15 18.979 -3.012 4.517 1.00 0.10 H \nATOM 224 HD13 LEU A 15 19.964 -4.094 5.559 1.00 0.10 H \nATOM 225 H LEU A 15 17.035 -7.168 5.437 1.00 0.27 H \nATOM 226 N GLY A 16 18.059 -8.127 8.215 1.00 -0.42 N \nATOM 227 CA GLY A 16 18.307 -9.093 9.265 1.00 -0.03 C \nATOM 228 C GLY A 16 17.117 -9.968 9.572 1.00 0.60 C \nATOM 229 O GLY A 16 16.063 -9.822 8.970 1.00 -0.57 O \nATOM 230 HA3 GLY A 16 19.142 -9.738 8.955 1.00 0.07 H \nATOM 231 HA2 GLY A 16 18.584 -8.549 10.180 1.00 0.07 H \nATOM 232 H GLY A 16 17.169 -8.118 7.758 1.00 0.27 H \nATOM 233 N GLU A 17 17.306 -10.894 10.511 1.00 -0.52 N \nATOM 234 CA GLU A 17 16.252 -11.821 10.941 1.00 0.04 C \nATOM 235 C GLU A 17 15.762 -11.380 12.335 1.00 0.54 C \nATOM 236 O GLU A 17 16.569 -11.020 13.211 1.00 -0.58 O \nATOM 237 CB GLU A 17 16.765 -13.277 10.964 1.00 0.06 C \nATOM 238 CG GLU A 17 16.268 -14.190 9.819 1.00 0.01 C \nATOM 239 CD GLU A 17 17.165 -14.213 8.570 1.00 0.81 C \nATOM 240 OE1 GLU A 17 18.094 -13.382 8.447 1.00 -0.82 O \nATOM 241 OE2 GLU A 17 16.938 -15.069 7.681 1.00 -0.82 O \nATOM 242 HA GLU A 17 15.413 -11.761 10.232 1.00 0.11 H \nATOM 243 HB2 GLU A 17 17.864 -13.247 10.918 1.00 -0.02 H \nATOM 244 HB3 GLU A 17 16.450 -13.730 11.916 1.00 -0.02 H \nATOM 245 HG2 GLU A 17 16.197 -15.217 10.207 1.00 -0.04 H \nATOM 246 HG3 GLU A 17 15.269 -13.843 9.515 1.00 -0.04 H \nATOM 247 H GLU A 17 18.206 -10.961 10.942 1.00 0.29 H \nATOM 248 N GLY A 18 14.436 -11.339 12.489 1.00 -0.42 N \nATOM 249 CA GLY A 18 13.775 -11.158 13.773 1.00 -0.03 C \nATOM 250 C GLY A 18 13.084 -12.455 14.162 1.00 0.60 C \nATOM 251 O GLY A 18 13.181 -13.454 13.451 1.00 -0.57 O \nATOM 252 HA3 GLY A 18 14.521 -10.894 14.537 1.00 0.07 H \nATOM 253 HA2 GLY A 18 13.030 -10.353 13.694 1.00 0.07 H \nATOM 254 H GLY A 18 13.864 -11.438 11.675 1.00 0.27 H \nATOM 255 N ALA A 19 12.385 -12.446 15.293 1.00 -0.42 N \nATOM 256 CA ALA A 19 11.677 -13.640 15.771 1.00 0.03 C \nATOM 257 C ALA A 19 10.510 -13.976 14.836 1.00 0.60 C \nATOM 258 O ALA A 19 10.386 -15.102 14.329 1.00 -0.57 O \nATOM 259 CB ALA A 19 11.170 -13.412 17.202 1.00 -0.18 C \nATOM 260 HA ALA A 19 12.378 -14.488 15.776 1.00 0.08 H \nATOM 261 HB1 ALA A 19 10.641 -14.311 17.551 1.00 0.06 H \nATOM 262 HB2 ALA A 19 12.023 -13.208 17.865 1.00 0.06 H \nATOM 263 HB3 ALA A 19 10.482 -12.554 17.215 1.00 0.06 H \nATOM 264 H ALA A 19 12.340 -11.605 15.832 1.00 0.27 H \nATOM 265 N TYR A 20 9.637 -12.985 14.688 1.00 -0.42 N \nATOM 266 CA TYR A 20 8.612 -12.879 13.640 1.00 -0.00 C \nATOM 267 C TYR A 20 8.997 -13.421 12.245 1.00 0.60 C \nATOM 268 O TYR A 20 8.246 -14.173 11.646 1.00 -0.57 O \nATOM 269 CB TYR A 20 8.215 -11.387 13.491 1.00 -0.02 C \nATOM 270 CG TYR A 20 8.919 -10.467 14.478 1.00 -0.00 C \nATOM 271 CD1 TYR A 20 10.280 -10.182 14.349 1.00 -0.19 C \nATOM 272 CD2 TYR A 20 8.233 -9.918 15.567 1.00 -0.19 C \nATOM 273 CE1 TYR A 20 10.935 -9.358 15.269 1.00 -0.23 C \nATOM 274 CE2 TYR A 20 8.874 -9.090 16.482 1.00 -0.23 C \nATOM 275 CZ TYR A 20 10.228 -8.816 16.332 1.00 0.32 C \nATOM 276 OH TYR A 20 10.882 -8.010 17.240 1.00 -0.56 O \nATOM 277 HA TYR A 20 7.735 -13.449 13.982 1.00 0.09 H \nATOM 278 HB3 TYR A 20 8.467 -11.060 12.471 1.00 0.03 H \nATOM 279 HB2 TYR A 20 7.130 -11.299 13.647 1.00 0.03 H \nATOM 280 HD2 TYR A 20 7.181 -10.143 15.700 1.00 0.17 H \nATOM 281 HE2 TYR A 20 8.320 -8.660 17.309 1.00 0.17 H \nATOM 282 HE1 TYR A 20 11.991 -9.144 15.152 1.00 0.17 H \nATOM 283 HD1 TYR A 20 10.838 -10.607 13.522 1.00 0.17 H \nATOM 284 HH TYR A 20 11.795 -7.927 16.990 1.00 0.40 H \nATOM 285 H TYR A 20 9.682 -12.240 15.354 1.00 0.27 H \nATOM 286 N GLY A 21 10.149 -12.998 11.732 1.00 -0.42 N \nATOM 287 CA GLY A 21 10.566 -13.327 10.377 1.00 -0.03 C \nATOM 288 C GLY A 21 11.862 -12.629 9.997 1.00 0.60 C \nATOM 289 O GLY A 21 12.909 -12.874 10.581 1.00 -0.57 O \nATOM 290 HA3 GLY A 21 10.713 -14.415 10.305 1.00 0.07 H \nATOM 291 HA2 GLY A 21 9.777 -13.017 9.677 1.00 0.07 H \nATOM 292 H GLY A 21 10.750 -12.434 12.298 1.00 0.27 H \nATOM 293 N GLU A 22 11.806 -11.763 9.000 1.00 -0.52 N \nATOM 294 CA GLU A 22 13.000 -11.029 8.592 1.00 0.04 C \nATOM 295 C GLU A 22 12.657 -9.625 8.116 1.00 0.54 C \nATOM 296 O GLU A 22 11.498 -9.250 8.011 1.00 -0.58 O \nATOM 297 CB GLU A 22 13.754 -11.803 7.512 1.00 0.06 C \nATOM 298 CG GLU A 22 13.064 -11.792 6.163 1.00 0.01 C \nATOM 299 CD GLU A 22 13.587 -12.865 5.233 1.00 0.81 C \nATOM 300 OE1 GLU A 22 13.764 -12.578 4.032 1.00 -0.82 O \nATOM 301 OE2 GLU A 22 13.821 -13.998 5.705 1.00 -0.82 O \nATOM 302 HA GLU A 22 13.658 -10.937 9.469 1.00 0.11 H \nATOM 303 HB2 GLU A 22 14.752 -11.355 7.396 1.00 -0.02 H \nATOM 304 HB3 GLU A 22 13.857 -12.848 7.841 1.00 -0.02 H \nATOM 305 HG2 GLU A 22 11.987 -11.954 6.317 1.00 -0.04 H \nATOM 306 HG3 GLU A 22 13.224 -10.810 5.693 1.00 -0.04 H \nATOM 307 H GLU A 22 10.941 -11.610 8.523 1.00 0.29 H \nATOM 308 N VAL A 23 13.679 -8.830 7.872 1.00 -0.42 N \nATOM 309 CA VAL A 23 13.454 -7.496 7.335 1.00 -0.09 C \nATOM 310 C VAL A 23 14.294 -7.348 6.095 1.00 0.60 C \nATOM 311 O VAL A 23 15.488 -7.578 6.130 1.00 -0.57 O \nATOM 312 CB VAL A 23 13.831 -6.375 8.325 1.00 0.30 C \nATOM 313 CG1 VAL A 23 13.445 -5.016 7.748 1.00 -0.32 C \nATOM 314 CG2 VAL A 23 13.149 -6.580 9.659 1.00 -0.32 C \nATOM 315 HA VAL A 23 12.390 -7.393 7.076 1.00 0.10 H \nATOM 316 HB VAL A 23 14.920 -6.397 8.481 1.00 -0.03 H \nATOM 317 HG11 VAL A 23 12.362 -4.993 7.558 1.00 0.08 H \nATOM 318 HG12 VAL A 23 13.708 -4.225 8.465 1.00 0.08 H \nATOM 319 HG13 VAL A 23 13.987 -4.851 6.805 1.00 0.08 H \nATOM 320 HG21 VAL A 23 13.451 -7.551 10.080 1.00 0.08 H \nATOM 321 HG22 VAL A 23 13.442 -5.774 10.348 1.00 0.08 H \nATOM 322 HG23 VAL A 23 12.058 -6.564 9.519 1.00 0.08 H \nATOM 323 H VAL A 23 14.611 -9.144 8.056 1.00 0.27 H \nATOM 324 N GLN A 24 13.667 -6.914 5.014 1.00 -0.42 N \nATOM 325 CA GLN A 24 14.357 -6.745 3.742 1.00 -0.00 C \nATOM 326 C GLN A 24 14.351 -5.268 3.328 1.00 0.60 C \nATOM 327 O GLN A 24 13.384 -4.525 3.595 1.00 -0.57 O \nATOM 328 CB GLN A 24 13.687 -7.636 2.684 1.00 -0.00 C \nATOM 329 CG GLN A 24 13.841 -9.152 3.014 1.00 -0.06 C \nATOM 330 CD GLN A 24 13.841 -10.073 1.808 1.00 0.70 C \nATOM 331 OE1 GLN A 24 14.123 -9.651 0.683 1.00 -0.61 O \nATOM 332 NE2 GLN A 24 13.554 -11.351 2.046 1.00 -0.94 N \nATOM 333 HA GLN A 24 15.402 -7.067 3.859 1.00 0.09 H \nATOM 334 HB2 GLN A 24 12.616 -7.389 2.639 1.00 0.02 H \nATOM 335 HB3 GLN A 24 14.151 -7.437 1.707 1.00 0.02 H \nATOM 336 HG2 GLN A 24 14.792 -9.290 3.549 1.00 0.04 H \nATOM 337 HG3 GLN A 24 13.007 -9.446 3.668 1.00 0.04 H \nATOM 338 HE22 GLN A 24 13.538 -12.008 1.293 1.00 0.43 H \nATOM 339 HE21 GLN A 24 13.355 -11.653 2.978 1.00 0.43 H \nATOM 340 H GLN A 24 12.693 -6.696 5.071 1.00 0.27 H \nATOM 341 N LEU A 25 15.463 -4.846 2.733 1.00 -0.42 N \nATOM 342 CA LEU A 25 15.595 -3.542 2.094 1.00 -0.05 C \nATOM 343 C LEU A 25 14.883 -3.571 0.738 1.00 0.60 C \nATOM 344 O LEU A 25 15.203 -4.397 -0.137 1.00 -0.57 O \nATOM 345 CB LEU A 25 17.077 -3.226 1.884 1.00 -0.11 C \nATOM 346 CG LEU A 25 17.543 -1.756 1.799 1.00 0.35 C \nATOM 347 CD1 LEU A 25 18.404 -1.545 0.632 1.00 -0.41 C \nATOM 348 CD2 LEU A 25 16.424 -0.723 1.830 1.00 -0.41 C \nATOM 349 HA LEU A 25 15.141 -2.770 2.733 1.00 0.09 H \nATOM 350 HB2 LEU A 25 17.623 -3.685 2.721 1.00 0.05 H \nATOM 351 HB3 LEU A 25 17.376 -3.710 0.942 1.00 0.05 H \nATOM 352 HG LEU A 25 18.157 -1.575 2.693 1.00 -0.04 H \nATOM 353 HD21 LEU A 25 15.854 -0.828 2.765 1.00 0.10 H \nATOM 354 HD22 LEU A 25 16.856 0.287 1.775 1.00 0.10 H \nATOM 355 HD23 LEU A 25 15.754 -0.882 0.972 1.00 0.10 H \nATOM 356 HD11 LEU A 25 17.851 -1.802 -0.283 1.00 0.10 H \nATOM 357 HD12 LEU A 25 18.713 -0.490 0.590 1.00 0.10 H \nATOM 358 HD13 LEU A 25 19.295 -2.185 0.713 1.00 0.10 H \nATOM 359 H LEU A 25 16.254 -5.458 2.723 1.00 0.27 H \nATOM 360 N ALA A 26 13.883 -2.716 0.581 1.00 -0.42 N \nATOM 361 CA ALA A 26 13.175 -2.572 -0.677 1.00 0.03 C \nATOM 362 C ALA A 26 13.502 -1.211 -1.284 1.00 0.60 C \nATOM 363 O ALA A 26 13.610 -0.220 -0.557 1.00 -0.57 O \nATOM 364 CB ALA A 26 11.675 -2.700 -0.458 1.00 -0.18 C \nATOM 365 HA ALA A 26 13.503 -3.363 -1.367 1.00 0.08 H \nATOM 366 HB1 ALA A 26 11.153 -2.589 -1.420 1.00 0.06 H \nATOM 367 HB2 ALA A 26 11.450 -3.688 -0.031 1.00 0.06 H \nATOM 368 HB3 ALA A 26 11.337 -1.916 0.235 1.00 0.06 H \nATOM 369 H ALA A 26 13.606 -2.150 1.357 1.00 0.27 H \nATOM 370 N VAL A 27 13.608 -1.166 -2.617 1.00 -0.42 N \nATOM 371 CA VAL A 27 13.979 0.034 -3.352 1.00 -0.09 C \nATOM 372 C VAL A 27 12.990 0.233 -4.474 1.00 0.60 C \nATOM 373 O VAL A 27 12.716 -0.701 -5.219 1.00 -0.57 O \nATOM 374 CB VAL A 27 15.388 -0.109 -3.893 1.00 0.30 C \nATOM 375 CG1 VAL A 27 15.762 1.073 -4.840 1.00 -0.32 C \nATOM 376 CG2 VAL A 27 16.395 -0.209 -2.738 1.00 -0.32 C \nATOM 377 HA VAL A 27 13.941 0.902 -2.678 1.00 0.10 H \nATOM 378 HB VAL A 27 15.437 -1.041 -4.475 1.00 -0.03 H \nATOM 379 HG11 VAL A 27 15.687 2.022 -4.289 1.00 0.08 H \nATOM 380 HG12 VAL A 27 16.792 0.940 -5.203 1.00 0.08 H \nATOM 381 HG13 VAL A 27 15.071 1.090 -5.695 1.00 0.08 H \nATOM 382 HG21 VAL A 27 16.151 -1.081 -2.113 1.00 0.08 H \nATOM 383 HG22 VAL A 27 17.410 -0.322 -3.146 1.00 0.08 H \nATOM 384 HG23 VAL A 27 16.345 0.705 -2.128 1.00 0.08 H \nATOM 385 H VAL A 27 13.423 -2.001 -3.135 1.00 0.27 H \nATOM 386 N ASN A 28 12.415 1.430 -4.569 1.00 -0.42 N \nATOM 387 CA ASN A 28 11.503 1.777 -5.636 1.00 0.01 C \nATOM 388 C ASN A 28 12.173 1.759 -7.028 1.00 0.60 C \nATOM 389 O ASN A 28 13.207 2.375 -7.241 1.00 -0.57 O \nATOM 390 CB ASN A 28 10.915 3.169 -5.402 1.00 -0.20 C \nATOM 391 CG ASN A 28 9.650 3.385 -6.157 1.00 0.71 C \nATOM 392 OD1 ASN A 28 9.654 3.879 -7.289 1.00 -0.59 O \nATOM 393 ND2 ASN A 28 8.529 3.002 -5.538 1.00 -0.92 N \nATOM 394 HA ASN A 28 10.685 1.041 -5.636 1.00 0.10 H \nATOM 395 HB2 ASN A 28 10.711 3.290 -4.328 1.00 0.08 H \nATOM 396 HB3 ASN A 28 11.650 3.922 -5.722 1.00 0.08 H \nATOM 397 HD22 ASN A 28 7.644 3.119 -5.989 1.00 0.42 H \nATOM 398 HD21 ASN A 28 8.575 2.599 -4.624 1.00 0.42 H \nATOM 399 H ASN A 28 12.623 2.118 -3.873 1.00 0.27 H \nATOM 400 N ARG A 29 11.559 1.039 -7.948 1.00 -0.35 N \nATOM 401 CA ARG A 29 12.064 0.873 -9.314 1.00 -0.26 C \nATOM 402 C ARG A 29 12.166 2.194 -10.074 1.00 0.73 C \nATOM 403 O ARG A 29 13.063 2.359 -10.881 1.00 -0.59 O \nATOM 404 CB ARG A 29 11.163 -0.151 -10.039 1.00 -0.00 C \nATOM 405 CG ARG A 29 10.805 0.090 -11.501 1.00 0.04 C \nATOM 406 CD ARG A 29 9.687 -0.877 -11.942 1.00 0.05 C \nATOM 407 NE ARG A 29 9.547 -0.981 -13.400 1.00 -0.53 N \nATOM 408 CZ ARG A 29 8.596 -1.681 -14.022 1.00 0.81 C \nATOM 409 NH1 ARG A 29 7.632 -2.283 -13.339 1.00 -0.86 N \nATOM 410 NH2 ARG A 29 8.573 -1.730 -15.348 1.00 -0.86 N \nATOM 411 HA ARG A 29 13.079 0.453 -9.253 1.00 0.16 H \nATOM 412 HB2 ARG A 29 11.673 -1.124 -9.987 1.00 0.03 H \nATOM 413 HB3 ARG A 29 10.218 -0.203 -9.479 1.00 0.03 H \nATOM 414 HG2 ARG A 29 10.458 1.127 -11.624 1.00 0.03 H \nATOM 415 HG3 ARG A 29 11.696 -0.075 -12.125 1.00 0.03 H \nATOM 416 HD2 ARG A 29 9.912 -1.876 -11.541 1.00 0.07 H \nATOM 417 HD3 ARG A 29 8.733 -0.521 -11.525 1.00 0.07 H \nATOM 418 HE ARG A 29 10.231 -0.478 -13.984 1.00 0.35 H \nATOM 419 HH12 ARG A 29 6.906 -2.819 -13.836 1.00 0.45 H \nATOM 420 HH11 ARG A 29 7.609 -2.215 -12.312 1.00 0.45 H \nATOM 421 HH22 ARG A 29 7.840 -2.269 -15.831 1.00 0.45 H \nATOM 422 HH21 ARG A 29 9.288 -1.229 -15.894 1.00 0.45 H \nATOM 423 H ARG A 29 10.704 0.583 -7.700 1.00 0.27 H \nATOM 424 N VAL A 30 11.229 3.115 -9.826 1.00 -0.42 N \nATOM 425 CA VAL A 30 11.250 4.439 -10.428 1.00 -0.09 C \nATOM 426 C VAL A 30 12.057 5.465 -9.637 1.00 0.60 C \nATOM 427 O VAL A 30 12.926 6.123 -10.191 1.00 -0.57 O \nATOM 428 CB VAL A 30 9.816 4.954 -10.624 1.00 0.30 C \nATOM 429 CG1 VAL A 30 9.797 6.402 -11.116 1.00 -0.32 C \nATOM 430 CG2 VAL A 30 9.088 4.067 -11.582 1.00 -0.32 C \nATOM 431 HA VAL A 30 11.719 4.342 -11.418 1.00 0.10 H \nATOM 432 HB VAL A 30 9.301 4.916 -9.653 1.00 -0.03 H \nATOM 433 HG11 VAL A 30 10.332 6.471 -12.075 1.00 0.08 H \nATOM 434 HG12 VAL A 30 8.756 6.729 -11.253 1.00 0.08 H \nATOM 435 HG13 VAL A 30 10.289 7.048 -10.374 1.00 0.08 H \nATOM 436 HG21 VAL A 30 9.065 3.041 -11.186 1.00 0.08 H \nATOM 437 HG22 VAL A 30 8.059 4.433 -11.711 1.00 0.08 H \nATOM 438 HG23 VAL A 30 9.605 4.074 -12.553 1.00 0.08 H \nATOM 439 H VAL A 30 10.483 2.884 -9.201 1.00 0.27 H \nATOM 440 N THR A 31 11.804 5.585 -8.325 1.00 -0.42 N \nATOM 441 CA THR A 31 12.317 6.743 -7.578 1.00 -0.04 C \nATOM 442 C THR A 31 13.634 6.454 -6.915 1.00 0.60 C \nATOM 443 O THR A 31 14.355 7.385 -6.567 1.00 -0.57 O \nATOM 444 CB THR A 31 11.321 7.185 -6.485 1.00 0.37 C \nATOM 445 OG1 THR A 31 11.116 6.099 -5.585 1.00 -0.68 O \nATOM 446 CG2 THR A 31 9.940 7.461 -7.054 1.00 -0.24 C \nATOM 447 HA THR A 31 12.456 7.571 -8.288 1.00 0.10 H \nATOM 448 HB THR A 31 11.710 8.071 -5.962 1.00 0.00 H \nATOM 449 HG1 THR A 31 10.504 6.361 -4.907 1.00 0.41 H \nATOM 450 HG23 THR A 31 9.817 8.543 -7.209 1.00 0.06 H \nATOM 451 HG21 THR A 31 9.828 6.938 -8.015 1.00 0.06 H \nATOM 452 HG22 THR A 31 9.175 7.102 -6.350 1.00 0.06 H \nATOM 453 H THR A 31 11.266 4.886 -7.854 1.00 0.27 H \nATOM 454 N GLU A 32 13.908 5.162 -6.705 1.00 -0.52 N \nATOM 455 CA GLU A 32 15.064 4.667 -5.989 1.00 0.04 C \nATOM 456 C GLU A 32 15.005 4.992 -4.478 1.00 0.54 C \nATOM 457 O GLU A 32 15.996 4.857 -3.761 1.00 -0.58 O \nATOM 458 CB GLU A 32 16.361 5.136 -6.661 1.00 0.06 C \nATOM 459 CG GLU A 32 16.618 4.415 -7.975 1.00 0.01 C \nATOM 460 CD GLU A 32 17.748 5.031 -8.762 1.00 0.81 C \nATOM 461 OE1 GLU A 32 18.856 5.110 -8.183 1.00 -0.82 O \nATOM 462 OE2 GLU A 32 17.543 5.419 -9.943 1.00 -0.82 O \nATOM 463 HA GLU A 32 15.045 3.570 -6.071 1.00 0.11 H \nATOM 464 HB2 GLU A 32 16.288 6.216 -6.857 1.00 -0.02 H \nATOM 465 HB3 GLU A 32 17.203 4.943 -5.980 1.00 -0.02 H \nATOM 466 HG2 GLU A 32 16.870 3.366 -7.758 1.00 -0.04 H \nATOM 467 HG3 GLU A 32 15.702 4.454 -8.583 1.00 -0.04 H \nATOM 468 H GLU A 32 13.266 4.488 -7.070 1.00 0.29 H \nATOM 469 N GLU A 33 13.820 5.376 -4.007 1.00 -0.52 N \nATOM 470 CA GLU A 33 13.555 5.507 -2.582 1.00 0.04 C \nATOM 471 C GLU A 33 13.680 4.129 -1.931 1.00 0.54 C \nATOM 472 O GLU A 33 13.262 3.128 -2.490 1.00 -0.58 O \nATOM 473 CB GLU A 33 12.158 6.085 -2.336 1.00 0.06 C \nATOM 474 CG GLU A 33 12.065 7.571 -2.654 1.00 0.01 C \nATOM 475 CD GLU A 33 10.654 8.084 -2.877 1.00 0.81 C \nATOM 476 OE1 GLU A 33 10.474 9.313 -2.707 1.00 -0.82 O \nATOM 477 OE2 GLU A 33 9.735 7.297 -3.248 1.00 -0.82 O \nATOM 478 HA GLU A 33 14.300 6.184 -2.139 1.00 0.11 H \nATOM 479 HB2 GLU A 33 11.439 5.545 -2.969 1.00 -0.02 H \nATOM 480 HB3 GLU A 33 11.898 5.936 -1.278 1.00 -0.02 H \nATOM 481 HG2 GLU A 33 12.504 8.129 -1.814 1.00 -0.04 H \nATOM 482 HG3 GLU A 33 12.648 7.763 -3.567 1.00 -0.04 H \nATOM 483 H GLU A 33 13.087 5.582 -4.655 1.00 0.29 H \nATOM 484 N ALA A 34 14.299 4.084 -0.758 1.00 -0.42 N \nATOM 485 CA ALA A 34 14.481 2.844 -0.026 1.00 0.03 C \nATOM 486 C ALA A 34 13.538 2.826 1.173 1.00 0.60 C \nATOM 487 O ALA A 34 13.222 3.874 1.742 1.00 -0.57 O \nATOM 488 CB ALA A 34 15.948 2.688 0.405 1.00 -0.18 C \nATOM 489 HA ALA A 34 14.223 2.002 -0.686 1.00 0.08 H \nATOM 490 HB1 ALA A 34 16.069 1.745 0.958 1.00 0.06 H \nATOM 491 HB2 ALA A 34 16.593 2.676 -0.486 1.00 0.06 H \nATOM 492 HB3 ALA A 34 16.232 3.531 1.052 1.00 0.06 H \nATOM 493 H ALA A 34 14.652 4.933 -0.365 1.00 0.27 H \nATOM 494 N VAL A 35 13.041 1.643 1.513 1.00 -0.42 N \nATOM 495 CA VAL A 35 12.227 1.441 2.699 1.00 -0.09 C \nATOM 496 C VAL A 35 12.565 0.060 3.231 1.00 0.60 C \nATOM 497 O VAL A 35 12.982 -0.807 2.453 1.00 -0.57 O \nATOM 498 CB VAL A 35 10.687 1.505 2.428 1.00 0.30 C \nATOM 499 CG1 VAL A 35 10.260 2.908 2.050 1.00 -0.32 C \nATOM 500 CG2 VAL A 35 10.261 0.514 1.363 1.00 -0.32 C \nATOM 501 HA VAL A 35 12.485 2.207 3.445 1.00 0.10 H \nATOM 502 HB VAL A 35 10.172 1.235 3.362 1.00 -0.03 H \nATOM 503 HG11 VAL A 35 10.799 3.224 1.145 1.00 0.08 H \nATOM 504 HG12 VAL A 35 9.177 2.922 1.856 1.00 0.08 H \nATOM 505 HG13 VAL A 35 10.493 3.597 2.875 1.00 0.08 H \nATOM 506 HG21 VAL A 35 10.521 -0.505 1.685 1.00 0.08 H \nATOM 507 HG22 VAL A 35 9.174 0.584 1.211 1.00 0.08 H \nATOM 508 HG23 VAL A 35 10.779 0.744 0.420 1.00 0.08 H \nATOM 509 H VAL A 35 13.236 0.856 0.927 1.00 0.27 H \nATOM 510 N ALA A 36 12.396 -0.135 4.548 1.00 -0.42 N \nATOM 511 CA ALA A 36 12.533 -1.451 5.154 1.00 0.03 C \nATOM 512 C ALA A 36 11.155 -2.117 5.215 1.00 0.60 C \nATOM 513 O ALA A 36 10.133 -1.473 5.475 1.00 -0.57 O \nATOM 514 CB ALA A 36 13.201 -1.358 6.565 1.00 -0.18 C \nATOM 515 HA ALA A 36 13.184 -2.063 4.513 1.00 0.08 H \nATOM 516 HB1 ALA A 36 13.290 -2.366 6.996 1.00 0.06 H \nATOM 517 HB2 ALA A 36 14.201 -0.911 6.468 1.00 0.06 H \nATOM 518 HB3 ALA A 36 12.581 -0.732 7.223 1.00 0.06 H \nATOM 519 H ALA A 36 12.169 0.646 5.130 1.00 0.27 H \nATOM 520 N VAL A 37 11.145 -3.422 4.957 1.00 -0.42 N \nATOM 521 CA VAL A 37 9.933 -4.200 4.934 1.00 -0.09 C \nATOM 522 C VAL A 37 10.050 -5.286 5.952 1.00 0.60 C \nATOM 523 O VAL A 37 10.799 -6.239 5.774 1.00 -0.57 O \nATOM 524 CB VAL A 37 9.677 -4.826 3.544 1.00 0.30 C \nATOM 525 CG1 VAL A 37 8.299 -5.520 3.535 1.00 -0.32 C \nATOM 526 CG2 VAL A 37 9.762 -3.739 2.487 1.00 -0.32 C \nATOM 527 HA VAL A 37 9.085 -3.548 5.190 1.00 0.10 H \nATOM 528 HB VAL A 37 10.452 -5.580 3.339 1.00 -0.03 H \nATOM 529 HG11 VAL A 37 7.515 -4.782 3.763 1.00 0.08 H \nATOM 530 HG12 VAL A 37 8.114 -5.956 2.542 1.00 0.08 H \nATOM 531 HG13 VAL A 37 8.285 -6.317 4.293 1.00 0.08 H \nATOM 532 HG21 VAL A 37 10.760 -3.276 2.516 1.00 0.08 H \nATOM 533 HG22 VAL A 37 9.591 -4.179 1.494 1.00 0.08 H \nATOM 534 HG23 VAL A 37 8.997 -2.974 2.686 1.00 0.08 H \nATOM 535 H VAL A 37 12.014 -3.881 4.772 1.00 0.27 H \nATOM 536 N LYS A 38 9.318 -5.125 7.039 1.00 -0.35 N \nATOM 537 CA LYS A 38 9.382 -6.068 8.125 1.00 -0.24 C \nATOM 538 C LYS A 38 8.354 -7.141 7.808 1.00 0.73 C \nATOM 539 O LYS A 38 7.161 -6.843 7.697 1.00 -0.59 O \nATOM 540 CB LYS A 38 9.084 -5.386 9.470 1.00 -0.01 C \nATOM 541 CG LYS A 38 8.903 -6.368 10.624 1.00 0.02 C \nATOM 542 CD LYS A 38 8.575 -5.667 11.927 1.00 -0.05 C \nATOM 543 CE LYS A 38 8.485 -6.655 13.096 1.00 -0.01 C \nATOM 544 NZ LYS A 38 8.740 -5.972 14.392 1.00 -0.39 N \nATOM 545 HA LYS A 38 10.385 -6.516 8.171 1.00 0.14 H \nATOM 546 HB2 LYS A 38 9.921 -4.714 9.713 1.00 0.04 H \nATOM 547 HB3 LYS A 38 8.160 -4.798 9.365 1.00 0.04 H \nATOM 548 HG2 LYS A 38 8.083 -7.058 10.377 1.00 0.01 H \nATOM 549 HG3 LYS A 38 9.835 -6.938 10.753 1.00 0.01 H \nATOM 550 HD2 LYS A 38 9.362 -4.930 12.143 1.00 0.06 H \nATOM 551 HD3 LYS A 38 7.609 -5.151 11.821 1.00 0.06 H \nATOM 552 HE2 LYS A 38 7.479 -7.099 13.115 1.00 0.11 H \nATOM 553 HE3 LYS A 38 9.233 -7.449 12.954 1.00 0.11 H \nATOM 554 HZ1 LYS A 38 8.061 -5.239 14.525 1.00 0.34 H \nATOM 555 HZ2 LYS A 38 8.666 -6.639 15.144 1.00 0.34 H \nATOM 556 HZ3 LYS A 38 9.666 -5.574 14.386 1.00 0.34 H \nATOM 557 H LYS A 38 8.709 -4.335 7.109 1.00 0.27 H \nATOM 558 N ILE A 39 8.838 -8.375 7.667 1.00 -0.42 N \nATOM 559 CA ILE A 39 8.008 -9.528 7.323 1.00 -0.06 C \nATOM 560 C ILE A 39 7.744 -10.399 8.550 1.00 0.60 C \nATOM 561 O ILE A 39 8.671 -10.861 9.213 1.00 -0.57 O \nATOM 562 CB ILE A 39 8.668 -10.344 6.198 1.00 0.13 C \nATOM 563 CG1 ILE A 39 8.690 -9.518 4.908 1.00 -0.04 C \nATOM 564 CG2 ILE A 39 7.913 -11.649 5.967 1.00 -0.32 C \nATOM 565 CD1 ILE A 39 10.083 -9.235 4.410 1.00 -0.07 C \nATOM 566 HA ILE A 39 7.040 -9.156 6.955 1.00 0.09 H \nATOM 567 HB ILE A 39 9.702 -10.580 6.490 1.00 0.02 H \nATOM 568 HG12 ILE A 39 8.146 -10.072 4.129 1.00 0.02 H \nATOM 569 HG13 ILE A 39 8.185 -8.559 5.098 1.00 0.02 H \nATOM 570 HD11 ILE A 39 10.603 -10.185 4.216 1.00 0.02 H \nATOM 571 HD12 ILE A 39 10.028 -8.650 3.480 1.00 0.02 H \nATOM 572 HD13 ILE A 39 10.635 -8.664 5.171 1.00 0.02 H \nATOM 573 HG21 ILE A 39 6.871 -11.426 5.693 1.00 0.09 H \nATOM 574 HG22 ILE A 39 8.394 -12.212 5.153 1.00 0.09 H \nATOM 575 HG23 ILE A 39 7.929 -12.250 6.888 1.00 0.09 H \nATOM 576 H ILE A 39 9.818 -8.519 7.803 1.00 0.27 H \nATOM 577 N VAL A 40 6.462 -10.591 8.843 1.00 -0.42 N \nATOM 578 CA VAL A 40 6.027 -11.254 10.059 1.00 -0.09 C \nATOM 579 C VAL A 40 5.228 -12.498 9.663 1.00 0.60 C \nATOM 580 O VAL A 40 4.061 -12.401 9.256 1.00 -0.57 O \nATOM 581 CB VAL A 40 5.160 -10.316 10.918 1.00 0.30 C \nATOM 582 CG1 VAL A 40 4.668 -11.031 12.192 1.00 -0.32 C \nATOM 583 CG2 VAL A 40 5.927 -9.038 11.265 1.00 -0.32 C \nATOM 584 HA VAL A 40 6.909 -11.556 10.643 1.00 0.10 H \nATOM 585 HB VAL A 40 4.277 -10.032 10.327 1.00 -0.03 H \nATOM 586 HG11 VAL A 40 5.534 -11.364 12.783 1.00 0.08 H \nATOM 587 HG12 VAL A 40 4.061 -10.336 12.791 1.00 0.08 H \nATOM 588 HG13 VAL A 40 4.058 -11.902 11.911 1.00 0.08 H \nATOM 589 HG21 VAL A 40 6.215 -8.520 10.338 1.00 0.08 H \nATOM 590 HG22 VAL A 40 5.287 -8.379 11.869 1.00 0.08 H \nATOM 591 HG23 VAL A 40 6.830 -9.296 11.837 1.00 0.08 H \nATOM 592 H VAL A 40 5.769 -10.266 8.200 1.00 0.27 H \nATOM 593 N ASP A 41 5.891 -13.649 9.741 1.00 -0.52 N \nATOM 594 CA ASP A 41 5.245 -14.944 9.546 1.00 0.04 C \nATOM 595 C ASP A 41 4.256 -15.160 10.687 1.00 0.54 C \nATOM 596 O ASP A 41 4.662 -15.368 11.833 1.00 -0.58 O \nATOM 597 CB ASP A 41 6.299 -16.064 9.516 1.00 -0.03 C \nATOM 598 CG ASP A 41 5.743 -17.389 9.010 1.00 0.80 C \nATOM 599 OD1 ASP A 41 4.719 -17.857 9.556 1.00 -0.80 O \nATOM 600 OD2 ASP A 41 6.273 -18.032 8.075 1.00 -0.80 O \nATOM 601 HA ASP A 41 4.701 -14.941 8.590 1.00 0.09 H \nATOM 602 HB2 ASP A 41 7.122 -15.754 8.855 1.00 -0.01 H \nATOM 603 HB3 ASP A 41 6.683 -16.212 10.536 1.00 -0.01 H \nATOM 604 H ASP A 41 6.871 -13.626 9.941 1.00 0.29 H \nATOM 605 N MET A 42 2.965 -15.094 10.359 1.00 -0.42 N \nATOM 606 CA MET A 42 1.880 -15.114 11.357 1.00 -0.02 C \nATOM 607 C MET A 42 1.496 -16.533 11.801 1.00 0.60 C \nATOM 608 O MET A 42 0.995 -16.717 12.917 1.00 -0.57 O \nATOM 609 CB MET A 42 0.636 -14.394 10.815 1.00 0.03 C \nATOM 610 CG MET A 42 0.156 -13.235 11.678 1.00 0.00 C \nATOM 611 SD MET A 42 -0.534 -11.939 10.662 1.00 -0.27 S \nATOM 612 CE MET A 42 -2.156 -11.726 11.397 1.00 -0.05 C \nATOM 613 HA MET A 42 2.235 -14.569 12.244 1.00 0.09 H \nATOM 614 HB2 MET A 42 0.873 -14.003 9.814 1.00 0.02 H \nATOM 615 HB3 MET A 42 -0.180 -15.127 10.738 1.00 0.02 H \nATOM 616 HG2 MET A 42 -0.615 -13.598 12.374 1.00 0.04 H \nATOM 617 HG3 MET A 42 1.006 -12.833 12.249 1.00 0.04 H \nATOM 618 HE1 MET A 42 -2.045 -11.447 12.455 1.00 0.07 H \nATOM 619 HE2 MET A 42 -2.699 -10.932 10.863 1.00 0.07 H \nATOM 620 HE3 MET A 42 -2.719 -12.668 11.323 1.00 0.07 H \nATOM 621 H MET A 42 2.722 -15.028 9.391 1.00 0.27 H \nATOM 622 N LYS A 43 1.697 -17.515 10.916 1.00 -0.35 N \nATOM 623 CA LYS A 43 1.634 -18.931 11.280 1.00 -0.24 C \nATOM 624 C LYS A 43 3.025 -19.392 11.732 1.00 0.73 C \nATOM 625 O LYS A 43 3.675 -20.203 11.050 1.00 -0.59 O \nATOM 626 CB LYS A 43 1.287 -19.643 10.166 1.00 -0.01 C \nATOM 627 CG LYS A 43 1.218 -21.148 10.446 1.00 0.02 C \nATOM 628 CD LYS A 43 0.757 -21.950 9.226 1.00 -0.05 C \nATOM 629 CE LYS A 43 0.688 -23.455 9.506 1.00 -0.01 C \nATOM 630 NZ LYS A 43 0.240 -24.158 8.305 1.00 -0.39 N \nATOM 631 HA LYS A 43 0.899 -19.088 12.083 1.00 0.14 H \nATOM 632 HB2 LYS A 43 0.301 -19.301 9.818 1.00 0.04 H \nATOM 633 HB3 LYS A 43 2.036 -19.462 9.381 1.00 0.04 H \nATOM 634 HG2 LYS A 43 2.218 -21.498 10.741 1.00 0.01 H \nATOM 635 HG3 LYS A 43 0.511 -21.322 11.270 1.00 0.01 H \nATOM 636 HD2 LYS A 43 -0.243 -21.600 8.931 1.00 0.06 H \nATOM 637 HD3 LYS A 43 1.464 -21.777 8.402 1.00 0.06 H \nATOM 638 HE2 LYS A 43 1.685 -23.820 9.793 1.00 0.11 H \nATOM 639 HE3 LYS A 43 -0.021 -23.643 10.326 1.00 0.11 H \nATOM 640 HZ1 LYS A 43 0.884 -23.979 7.551 1.00 0.34 H \nATOM 641 HZ2 LYS A 43 0.205 -25.148 8.489 1.00 0.34 H \nATOM 642 HZ3 LYS A 43 -0.678 -23.831 8.047 1.00 0.34 H \nATOM 643 H LYS A 43 1.898 -17.272 9.967 1.00 0.27 H \nATOM 644 N ARG A 44 3.474 -18.860 12.873 1.00 -0.35 N \nATOM 645 CA ARG A 44 4.823 -19.116 13.398 1.00 -0.26 C \nATOM 646 C ARG A 44 4.955 -18.587 14.826 1.00 0.73 C \nATOM 647 O ARG A 44 4.757 -17.396 15.072 1.00 -0.59 O \nATOM 648 CB ARG A 44 5.884 -18.479 12.477 1.00 -0.00 C \nATOM 649 CG ARG A 44 7.184 -18.049 13.154 1.00 0.04 C \nATOM 650 CD ARG A 44 8.307 -17.711 12.184 1.00 0.05 C \nATOM 651 NE ARG A 44 9.583 -17.514 12.869 1.00 -0.53 N \nATOM 652 CZ ARG A 44 10.743 -17.237 12.265 1.00 0.81 C \nATOM 653 NH1 ARG A 44 10.816 -17.121 10.937 1.00 -0.86 N \nATOM 654 NH2 ARG A 44 11.841 -17.074 12.998 1.00 -0.86 N \nATOM 655 HA ARG A 44 4.988 -20.203 13.416 1.00 0.16 H \nATOM 656 HB2 ARG A 44 6.137 -19.212 11.697 1.00 0.03 H \nATOM 657 HB3 ARG A 44 5.436 -17.589 12.012 1.00 0.03 H \nATOM 658 HG2 ARG A 44 6.977 -17.159 13.766 1.00 0.03 H \nATOM 659 HG3 ARG A 44 7.523 -18.870 13.803 1.00 0.03 H \nATOM 660 HD2 ARG A 44 8.414 -18.536 11.464 1.00 0.07 H \nATOM 661 HD3 ARG A 44 8.046 -16.787 11.647 1.00 0.07 H \nATOM 662 HE ARG A 44 9.589 -17.595 13.896 1.00 0.35 H \nATOM 663 HH12 ARG A 44 11.718 -16.907 10.488 1.00 0.45 H \nATOM 664 HH11 ARG A 44 9.971 -17.245 10.362 1.00 0.45 H \nATOM 665 HH22 ARG A 44 12.739 -16.860 12.540 1.00 0.45 H \nATOM 666 HH21 ARG A 44 11.793 -17.161 14.023 1.00 0.45 H \nATOM 667 H ARG A 44 2.865 -18.261 13.393 1.00 0.27 H \nTER 668 ARG A 44 \nATOM 669 N CYS A 48 2.517 -14.173 15.975 1.00 -0.82 N \nATOM 670 CA CYS A 48 1.112 -14.355 16.328 1.00 0.04 C \nATOM 671 C CYS A 48 0.293 -13.116 15.935 1.00 0.62 C \nATOM 672 O CYS A 48 0.853 -12.024 15.814 1.00 -0.50 O \nATOM 673 CB CYS A 48 0.980 -14.654 17.829 1.00 -0.06 C \nATOM 674 SG CYS A 48 0.469 -13.254 18.859 1.00 0.83 S \nATOM 675 HA CYS A 48 0.721 -15.217 15.768 1.00 0.05 H \nATOM 676 HB2 CYS A 48 0.236 -15.455 17.951 1.00 0.04 H \nATOM 677 HB3 CYS A 48 1.958 -15.004 18.193 1.00 0.04 H \nATOM 678 HG CYS A 48 0.411 -13.548 19.821 1.00 0.14 H \nATOM 679 H CYS A 48 2.815 -13.330 15.528 1.00 0.30 H \nATOM 680 HNCA CYS A 48 3.195 -14.906 16.184 1.00 0.30 H \nATOM 681 N PRO A 49 -1.017 -13.279 15.725 1.00 -0.25 N \nATOM 682 CA PRO A 49 -1.878 -12.161 15.307 1.00 -0.03 C \nATOM 683 C PRO A 49 -2.053 -11.039 16.347 1.00 0.59 C \nATOM 684 O PRO A 49 -2.241 -9.899 15.936 1.00 -0.57 O \nATOM 685 CB PRO A 49 -3.228 -12.842 14.990 1.00 -0.01 C \nATOM 686 CG PRO A 49 -3.213 -14.142 15.716 1.00 0.02 C \nATOM 687 CD PRO A 49 -1.771 -14.542 15.838 1.00 0.02 C \nATOM 688 HA PRO A 49 -1.462 -11.708 14.395 1.00 0.06 H \nATOM 689 HD3 PRO A 49 -1.491 -15.234 15.030 1.00 0.04 H \nATOM 690 HD2 PRO A 49 -1.583 -15.020 16.811 1.00 0.04 H \nATOM 691 HG3 PRO A 49 -3.772 -14.901 15.149 1.00 0.02 H \nATOM 692 HG2 PRO A 49 -3.661 -14.026 16.714 1.00 0.02 H \nATOM 693 HB2 PRO A 49 -4.063 -12.218 15.341 1.00 0.03 H \nATOM 694 HB3 PRO A 49 -3.326 -13.010 13.907 1.00 0.03 H \nATOM 695 N GLU A 50 -2.004 -11.351 17.644 1.00 -0.52 N \nATOM 696 CA GLU A 50 -2.131 -10.331 18.705 1.00 0.04 C \nATOM 697 C GLU A 50 -1.015 -9.272 18.667 1.00 0.54 C \nATOM 698 O GLU A 50 -1.282 -8.065 18.768 1.00 -0.58 O \nATOM 699 CB GLU A 50 -2.146 -11.007 20.092 1.00 0.06 C \nATOM 700 CG GLU A 50 -2.296 -10.056 21.284 1.00 0.01 C \nATOM 701 CD GLU A 50 -0.964 -9.578 21.849 1.00 0.81 C \nATOM 702 OE1 GLU A 50 -0.262 -10.394 22.489 1.00 -0.82 O \nATOM 703 OE2 GLU A 50 -0.622 -8.385 21.652 1.00 -0.82 O \nATOM 704 HA GLU A 50 -3.091 -9.814 18.559 1.00 0.11 H \nATOM 705 HB2 GLU A 50 -2.987 -11.716 20.115 1.00 -0.02 H \nATOM 706 HB3 GLU A 50 -1.200 -11.556 20.212 1.00 -0.02 H \nATOM 707 HG2 GLU A 50 -2.872 -9.177 20.959 1.00 -0.04 H \nATOM 708 HG3 GLU A 50 -2.845 -10.580 22.081 1.00 -0.04 H \nATOM 709 H GLU A 50 -1.877 -12.308 17.906 1.00 0.29 H \nATOM 710 N ASN A 51 0.226 -9.751 18.555 1.00 -0.42 N \nATOM 711 CA ASN A 51 1.436 -8.918 18.531 1.00 0.01 C \nATOM 712 C ASN A 51 1.358 -7.908 17.379 1.00 0.60 C \nATOM 713 O ASN A 51 1.302 -6.702 17.609 1.00 -0.57 O \nATOM 714 CB ASN A 51 2.692 -9.833 18.422 1.00 -0.20 C \nATOM 715 CG ASN A 51 4.037 -9.078 18.581 1.00 0.71 C \nATOM 716 OD1 ASN A 51 4.611 -8.582 17.600 1.00 -0.59 O \nATOM 717 ND2 ASN A 51 4.566 -9.052 19.804 1.00 -0.92 N \nATOM 718 HA ASN A 51 1.497 -8.357 19.475 1.00 0.10 H \nATOM 719 HB2 ASN A 51 2.631 -10.600 19.208 1.00 0.08 H \nATOM 720 HB3 ASN A 51 2.682 -10.318 17.435 1.00 0.08 H \nATOM 721 HD22 ASN A 51 5.432 -8.579 19.964 1.00 0.42 H \nATOM 722 HD21 ASN A 51 4.096 -9.505 20.562 1.00 0.42 H \nATOM 723 H ASN A 51 0.340 -10.742 18.483 1.00 0.27 H \nATOM 724 N ILE A 52 1.287 -8.414 16.150 1.00 -0.42 N \nATOM 725 CA ILE A 52 1.394 -7.560 14.961 1.00 -0.06 C \nATOM 726 C ILE A 52 0.233 -6.557 14.777 1.00 0.60 C \nATOM 727 O ILE A 52 0.457 -5.428 14.349 1.00 -0.57 O \nATOM 728 CB ILE A 52 1.657 -8.407 13.673 1.00 0.13 C \nATOM 729 CG1 ILE A 52 1.810 -7.496 12.448 1.00 -0.04 C \nATOM 730 CG2 ILE A 52 0.556 -9.455 13.437 1.00 -0.32 C \nATOM 731 CD1 ILE A 52 2.968 -6.523 12.534 1.00 -0.07 C \nATOM 732 HA ILE A 52 2.293 -6.946 15.114 1.00 0.09 H \nATOM 733 HB ILE A 52 2.606 -8.946 13.815 1.00 0.02 H \nATOM 734 HG12 ILE A 52 1.959 -8.132 11.563 1.00 0.02 H \nATOM 735 HG13 ILE A 52 0.882 -6.917 12.331 1.00 0.02 H \nATOM 736 HD11 ILE A 52 3.909 -7.082 12.649 1.00 0.02 H \nATOM 737 HD12 ILE A 52 3.009 -5.920 11.615 1.00 0.02 H \nATOM 738 HD13 ILE A 52 2.827 -5.861 13.401 1.00 0.02 H \nATOM 739 HG21 ILE A 52 -0.415 -8.949 13.333 1.00 0.09 H \nATOM 740 HG22 ILE A 52 0.777 -10.018 12.518 1.00 0.09 H \nATOM 741 HG23 ILE A 52 0.519 -10.147 14.291 1.00 0.09 H \nATOM 742 H ILE A 52 1.158 -9.399 16.034 1.00 0.27 H \nATOM 743 N LYS A 53 -0.987 -6.958 15.121 1.00 -0.35 N \nATOM 744 CA LYS A 53 -2.156 -6.064 15.000 1.00 -0.24 C \nATOM 745 C LYS A 53 -2.012 -4.784 15.852 1.00 0.73 C \nATOM 746 O LYS A 53 -2.409 -3.679 15.438 1.00 -0.59 O \nATOM 747 CB LYS A 53 -3.448 -6.842 15.350 1.00 -0.01 C \nATOM 748 CG LYS A 53 -4.587 -6.073 16.061 1.00 0.02 C \nATOM 749 CD LYS A 53 -5.665 -5.590 15.084 1.00 -0.05 C \nATOM 750 CE LYS A 53 -6.512 -4.464 15.680 1.00 -0.01 C \nATOM 751 NZ LYS A 53 -6.785 -4.623 17.159 1.00 -0.39 N \nATOM 752 HA LYS A 53 -2.227 -5.749 13.948 1.00 0.14 H \nATOM 753 HB2 LYS A 53 -3.858 -7.237 14.409 1.00 0.04 H \nATOM 754 HB3 LYS A 53 -3.160 -7.678 16.004 1.00 0.04 H \nATOM 755 HG2 LYS A 53 -5.054 -6.739 16.802 1.00 0.01 H \nATOM 756 HG3 LYS A 53 -4.157 -5.199 16.573 1.00 0.01 H \nATOM 757 HD2 LYS A 53 -5.177 -5.222 14.169 1.00 0.06 H \nATOM 758 HD3 LYS A 53 -6.323 -6.435 14.834 1.00 0.06 H \nATOM 759 HE2 LYS A 53 -5.982 -3.512 15.525 1.00 0.11 H \nATOM 760 HE3 LYS A 53 -7.476 -4.437 15.150 1.00 0.11 H \nATOM 761 HZ1 LYS A 53 -5.911 -4.648 17.661 1.00 0.34 H \nATOM 762 HZ2 LYS A 53 -7.337 -3.845 17.484 1.00 0.34 H \nATOM 763 HZ3 LYS A 53 -7.289 -5.482 17.317 1.00 0.34 H \nATOM 764 H LYS A 53 -1.116 -7.886 15.470 1.00 0.27 H \nATOM 765 N LYS A 54 -1.470 -4.955 17.054 1.00 -0.35 N \nATOM 766 CA LYS A 54 -1.304 -3.854 17.983 1.00 -0.24 C \nATOM 767 C LYS A 54 -0.103 -3.032 17.561 1.00 0.73 C \nATOM 768 O LYS A 54 -0.154 -1.823 17.630 1.00 -0.59 O \nATOM 769 CB LYS A 54 -1.120 -4.389 19.408 1.00 -0.01 C \nATOM 770 CG LYS A 54 -1.018 -3.326 20.482 1.00 0.02 C \nATOM 771 CD LYS A 54 -0.756 -3.991 21.837 1.00 -0.05 C \nATOM 772 CE LYS A 54 -1.266 -3.164 22.985 1.00 -0.01 C \nATOM 773 NZ LYS A 54 -0.973 -3.778 24.311 1.00 -0.39 N \nATOM 774 HA LYS A 54 -2.202 -3.219 17.955 1.00 0.14 H \nATOM 775 HB2 LYS A 54 -1.980 -5.032 19.645 1.00 0.04 H \nATOM 776 HB3 LYS A 54 -0.197 -4.987 19.431 1.00 0.04 H \nATOM 777 HG2 LYS A 54 -0.190 -2.642 20.243 1.00 0.01 H \nATOM 778 HG3 LYS A 54 -1.960 -2.760 20.528 1.00 0.01 H \nATOM 779 HD2 LYS A 54 -1.259 -4.969 21.854 1.00 0.06 H \nATOM 780 HD3 LYS A 54 0.328 -4.134 21.958 1.00 0.06 H \nATOM 781 HE2 LYS A 54 -0.791 -2.173 22.943 1.00 0.11 H \nATOM 782 HE3 LYS A 54 -2.355 -3.053 22.882 1.00 0.11 H \nATOM 783 HZ1 LYS A 54 0.023 -3.887 24.418 1.00 0.34 H \nATOM 784 HZ2 LYS A 54 -1.326 -3.182 25.043 1.00 0.34 H \nATOM 785 HZ3 LYS A 54 -1.418 -4.680 24.369 1.00 0.34 H \nATOM 786 H LYS A 54 -1.168 -5.869 17.325 1.00 0.27 H \nATOM 787 N GLU A 55 0.964 -3.713 17.137 1.00 -0.52 N \nATOM 788 CA GLU A 55 2.154 -3.070 16.597 1.00 0.04 C \nATOM 789 C GLU A 55 1.805 -2.122 15.450 1.00 0.54 C \nATOM 790 O GLU A 55 2.306 -1.002 15.384 1.00 -0.58 O \nATOM 791 CB GLU A 55 3.161 -4.118 16.125 1.00 0.06 C \nATOM 792 CG GLU A 55 4.276 -3.575 15.236 1.00 0.01 C \nATOM 793 CD GLU A 55 5.462 -4.505 15.146 1.00 0.81 C \nATOM 794 OE1 GLU A 55 5.319 -5.652 15.553 1.00 -0.82 O \nATOM 795 OE2 GLU A 55 6.548 -4.107 14.680 1.00 -0.82 O \nATOM 796 HA GLU A 55 2.619 -2.480 17.401 1.00 0.11 H \nATOM 797 HB2 GLU A 55 3.622 -4.575 17.013 1.00 -0.02 H \nATOM 798 HB3 GLU A 55 2.615 -4.887 15.559 1.00 -0.02 H \nATOM 799 HG2 GLU A 55 3.874 -3.420 14.224 1.00 -0.04 H \nATOM 800 HG3 GLU A 55 4.615 -2.613 15.647 1.00 -0.04 H \nATOM 801 H GLU A 55 0.945 -4.711 17.193 1.00 0.29 H \nATOM 802 N ILE A 56 0.907 -2.554 14.568 1.00 -0.42 N \nATOM 803 CA ILE A 56 0.549 -1.730 13.420 1.00 -0.06 C \nATOM 804 C ILE A 56 -0.242 -0.542 13.894 1.00 0.60 C \nATOM 805 O ILE A 56 0.015 0.599 13.500 1.00 -0.57 O \nATOM 806 CB ILE A 56 -0.277 -2.545 12.359 1.00 0.13 C \nATOM 807 CG1 ILE A 56 0.626 -3.531 11.635 1.00 -0.04 C \nATOM 808 CG2 ILE A 56 -0.949 -1.596 11.355 1.00 -0.32 C \nATOM 809 CD1 ILE A 56 -0.118 -4.633 10.856 1.00 -0.07 C \nATOM 810 HA ILE A 56 1.473 -1.374 12.941 1.00 0.09 H \nATOM 811 HB ILE A 56 -1.061 -3.109 12.885 1.00 0.02 H \nATOM 812 HG12 ILE A 56 1.247 -2.968 10.923 1.00 0.02 H \nATOM 813 HG13 ILE A 56 1.272 -4.016 12.382 1.00 0.02 H \nATOM 814 HD11 ILE A 56 -0.769 -4.171 10.099 1.00 0.02 H \nATOM 815 HD12 ILE A 56 0.613 -5.288 10.360 1.00 0.02 H \nATOM 816 HD13 ILE A 56 -0.729 -5.226 11.553 1.00 0.02 H \nATOM 817 HG21 ILE A 56 -0.180 -1.001 10.841 1.00 0.09 H \nATOM 818 HG22 ILE A 56 -1.513 -2.184 10.616 1.00 0.09 H \nATOM 819 HG23 ILE A 56 -1.636 -0.923 11.890 1.00 0.09 H \nATOM 820 H ILE A 56 0.476 -3.448 14.693 1.00 0.27 H \nATOM 821 N CYS A 57 -1.229 -0.825 14.726 1.00 -0.42 N \nATOM 822 CA CYS A 57 -2.087 0.195 15.325 1.00 0.02 C \nATOM 823 C CYS A 57 -1.283 1.295 16.047 1.00 0.60 C \nATOM 824 O CYS A 57 -1.529 2.513 15.909 1.00 -0.57 O \nATOM 825 CB CYS A 57 -2.964 -0.502 16.356 1.00 -0.12 C \nATOM 826 SG CYS A 57 -4.014 0.646 17.206 1.00 -0.31 S \nATOM 827 HA CYS A 57 -2.709 0.655 14.543 1.00 0.11 H \nATOM 828 HB2 CYS A 57 -3.591 -1.248 15.845 1.00 0.11 H \nATOM 829 HB3 CYS A 57 -2.319 -1.006 17.090 1.00 0.11 H \nATOM 830 HG CYS A 57 -4.578 0.151 17.879 1.00 0.19 H \nATOM 831 H CYS A 57 -1.397 -1.783 14.957 1.00 0.27 H \nATOM 832 N ILE A 58 -0.319 0.856 16.836 1.00 -0.42 N \nATOM 833 CA ILE A 58 0.527 1.808 17.537 1.00 -0.06 C \nATOM 834 C ILE A 58 1.368 2.601 16.534 1.00 0.60 C \nATOM 835 O ILE A 58 1.471 3.795 16.659 1.00 -0.57 O \nATOM 836 CB ILE A 58 1.363 1.128 18.608 1.00 0.13 C \nATOM 837 CG1 ILE A 58 0.453 0.728 19.771 1.00 -0.04 C \nATOM 838 CG2 ILE A 58 2.498 2.093 19.119 1.00 -0.32 C \nATOM 839 CD1 ILE A 58 1.187 0.100 20.920 1.00 -0.07 C \nATOM 840 HA ILE A 58 -0.132 2.524 18.050 1.00 0.09 H \nATOM 841 HB ILE A 58 1.827 0.225 18.184 1.00 0.02 H \nATOM 842 HG12 ILE A 58 -0.060 1.630 20.137 1.00 0.02 H \nATOM 843 HG13 ILE A 58 -0.291 0.008 19.399 1.00 0.02 H \nATOM 844 HD11 ILE A 58 1.936 0.807 21.307 1.00 0.02 H \nATOM 845 HD12 ILE A 58 0.473 -0.150 21.718 1.00 0.02 H \nATOM 846 HD13 ILE A 58 1.690 -0.816 20.577 1.00 0.02 H \nATOM 847 HG21 ILE A 58 2.044 3.005 19.534 1.00 0.09 H \nATOM 848 HG22 ILE A 58 3.085 1.587 19.900 1.00 0.09 H \nATOM 849 HG23 ILE A 58 3.157 2.360 18.280 1.00 0.09 H \nATOM 850 H ILE A 58 -0.172 -0.126 16.951 1.00 0.27 H \nATOM 851 N ASN A 59 1.898 1.928 15.519 1.00 -0.42 N \nATOM 852 CA ASN A 59 2.707 2.585 14.500 1.00 0.01 C \nATOM 853 C ASN A 59 1.953 3.695 13.776 1.00 0.60 C \nATOM 854 O ASN A 59 2.534 4.728 13.473 1.00 -0.57 O \nATOM 855 CB ASN A 59 3.262 1.564 13.507 1.00 -0.20 C \nATOM 856 CG ASN A 59 4.673 1.108 13.846 1.00 0.71 C \nATOM 857 OD1 ASN A 59 5.640 1.829 13.606 1.00 -0.59 O \nATOM 858 ND2 ASN A 59 4.799 -0.096 14.370 1.00 -0.92 N \nATOM 859 HA ASN A 59 3.562 3.051 15.012 1.00 0.10 H \nATOM 860 HB2 ASN A 59 2.601 0.685 13.503 1.00 0.08 H \nATOM 861 HB3 ASN A 59 3.272 2.019 12.506 1.00 0.08 H \nATOM 862 HD22 ASN A 59 5.705 -0.444 14.611 1.00 0.42 H \nATOM 863 HD21 ASN A 59 3.989 -0.661 14.526 1.00 0.42 H \nATOM 864 H ASN A 59 1.738 0.943 15.452 1.00 0.27 H \nATOM 865 N LYS A 60 0.653 3.498 13.555 1.00 -0.35 N \nATOM 866 CA LYS A 60 -0.201 4.506 12.889 1.00 -0.24 C \nATOM 867 C LYS A 60 -0.409 5.783 13.699 1.00 0.73 C \nATOM 868 O LYS A 60 -0.696 6.850 13.134 1.00 -0.59 O \nATOM 869 CB LYS A 60 -1.583 3.911 12.590 1.00 -0.01 C \nATOM 870 CG LYS A 60 -1.557 2.799 11.550 1.00 0.02 C \nATOM 871 CD LYS A 60 -2.976 2.245 11.292 1.00 -0.05 C \nATOM 872 CE LYS A 60 -3.054 1.484 9.971 1.00 -0.01 C \nATOM 873 NZ LYS A 60 -2.234 2.134 8.891 1.00 -0.39 N \nATOM 874 HA LYS A 60 0.283 4.779 11.940 1.00 0.14 H \nATOM 875 HB2 LYS A 60 -1.995 3.503 13.525 1.00 0.04 H \nATOM 876 HB3 LYS A 60 -2.236 4.716 12.222 1.00 0.04 H \nATOM 877 HG2 LYS A 60 -1.150 3.197 10.609 1.00 0.01 H \nATOM 878 HG3 LYS A 60 -0.913 1.984 11.912 1.00 0.01 H \nATOM 879 HD2 LYS A 60 -3.247 1.564 12.112 1.00 0.06 H \nATOM 880 HD3 LYS A 60 -3.686 3.084 11.262 1.00 0.06 H \nATOM 881 HE2 LYS A 60 -2.683 0.461 10.129 1.00 0.11 H \nATOM 882 HE3 LYS A 60 -4.104 1.447 9.645 1.00 0.11 H \nATOM 883 HZ1 LYS A 60 -1.269 2.175 9.180 1.00 0.34 H \nATOM 884 HZ2 LYS A 60 -2.307 1.594 8.043 1.00 0.34 H \nATOM 885 HZ3 LYS A 60 -2.576 3.068 8.726 1.00 0.34 H \nATOM 886 H LYS A 60 0.240 2.637 13.850 1.00 0.27 H \nATOM 887 N MET A 61 -0.275 5.676 15.017 1.00 -0.42 N \nATOM 888 CA MET A 61 -0.301 6.845 15.893 1.00 -0.02 C \nATOM 889 C MET A 61 0.972 7.707 15.860 1.00 0.60 C \nATOM 890 O MET A 61 0.912 8.836 16.310 1.00 -0.57 O \nATOM 891 CB MET A 61 -0.487 6.420 17.346 1.00 0.03 C \nATOM 892 CG MET A 61 -1.738 5.632 17.624 1.00 0.00 C \nATOM 893 SD MET A 61 -1.642 4.944 19.267 1.00 -0.27 S \nATOM 894 CE MET A 61 -1.729 6.494 20.300 1.00 -0.05 C \nATOM 895 HA MET A 61 -1.152 7.471 15.586 1.00 0.09 H \nATOM 896 HB2 MET A 61 0.376 5.802 17.634 1.00 0.02 H \nATOM 897 HB3 MET A 61 -0.511 7.328 17.966 1.00 0.02 H \nATOM 898 HG2 MET A 61 -2.614 6.294 17.552 1.00 0.04 H \nATOM 899 HG3 MET A 61 -1.832 4.819 16.889 1.00 0.04 H \nATOM 900 HE1 MET A 61 -2.670 7.023 20.088 1.00 0.07 H \nATOM 901 HE2 MET A 61 -1.690 6.227 21.366 1.00 0.07 H \nATOM 902 HE3 MET A 61 -0.878 7.146 20.055 1.00 0.07 H \nATOM 903 H MET A 61 -0.153 4.769 15.421 1.00 0.27 H \nATOM 904 N LEU A 62 2.099 7.192 15.352 1.00 -0.42 N \nATOM 905 CA LEU A 62 3.406 7.812 15.611 1.00 -0.05 C \nATOM 906 C LEU A 62 3.909 8.699 14.496 1.00 0.60 C \nATOM 907 O LEU A 62 3.913 8.312 13.329 1.00 -0.57 O \nATOM 908 CB LEU A 62 4.480 6.758 15.885 1.00 -0.11 C \nATOM 909 CG LEU A 62 4.073 5.684 16.890 1.00 0.35 C \nATOM 910 CD1 LEU A 62 5.171 4.693 17.052 1.00 -0.41 C \nATOM 911 CD2 LEU A 62 3.696 6.296 18.219 1.00 -0.41 C \nATOM 912 HA LEU A 62 3.294 8.435 16.511 1.00 0.09 H \nATOM 913 HB2 LEU A 62 4.726 6.263 14.934 1.00 0.05 H \nATOM 914 HB3 LEU A 62 5.373 7.270 16.273 1.00 0.05 H \nATOM 915 HG LEU A 62 3.191 5.159 16.494 1.00 -0.04 H \nATOM 916 HD21 LEU A 62 2.856 6.992 18.077 1.00 0.10 H \nATOM 917 HD22 LEU A 62 3.398 5.500 18.918 1.00 0.10 H \nATOM 918 HD23 LEU A 62 4.559 6.841 18.630 1.00 0.10 H \nATOM 919 HD11 LEU A 62 6.078 5.205 17.406 1.00 0.10 H \nATOM 920 HD12 LEU A 62 4.871 3.930 17.785 1.00 0.10 H \nATOM 921 HD13 LEU A 62 5.376 4.211 16.085 1.00 0.10 H \nATOM 922 H LEU A 62 2.050 6.369 14.785 1.00 0.27 H \nATOM 923 N ASN A 63 4.366 9.883 14.874 1.00 -0.42 N \nATOM 924 CA ASN A 63 5.007 10.778 13.951 1.00 0.01 C \nATOM 925 C ASN A 63 6.019 11.660 14.656 1.00 0.60 C \nATOM 926 O ASN A 63 5.685 12.671 15.269 1.00 -0.57 O \nATOM 927 CB ASN A 63 3.968 11.615 13.192 1.00 -0.20 C \nATOM 928 CG ASN A 63 4.610 12.586 12.290 1.00 0.71 C \nATOM 929 OD1 ASN A 63 5.613 12.257 11.649 1.00 -0.59 O \nATOM 930 ND2 ASN A 63 4.087 13.823 12.254 1.00 -0.92 N \nATOM 931 HA ASN A 63 5.551 10.169 13.214 1.00 0.10 H \nATOM 932 HB2 ASN A 63 3.332 10.942 12.598 1.00 0.08 H \nATOM 933 HB3 ASN A 63 3.347 12.159 13.919 1.00 0.08 H \nATOM 934 HD22 ASN A 63 4.488 14.518 11.657 1.00 0.42 H \nATOM 935 HD21 ASN A 63 3.297 14.049 12.824 1.00 0.42 H \nATOM 936 H ASN A 63 4.262 10.162 15.829 1.00 0.27 H \nATOM 937 N HIS A 64 7.272 11.239 14.582 1.00 -0.42 N \nATOM 938 CA HIS A 64 8.337 11.942 15.227 1.00 0.02 C \nATOM 939 C HIS A 64 9.683 11.603 14.598 1.00 0.60 C \nATOM 940 O HIS A 64 9.936 10.501 14.158 1.00 -0.57 O \nATOM 941 CB HIS A 64 8.340 11.628 16.726 1.00 -0.05 C \nATOM 942 CG HIS A 64 9.225 12.536 17.510 1.00 -0.03 C \nATOM 943 ND1 HIS A 64 10.568 12.274 17.701 1.00 -0.38 N \nATOM 944 CD2 HIS A 64 8.974 13.724 18.115 1.00 0.13 C \nATOM 945 CE1 HIS A 64 11.101 13.264 18.400 1.00 0.21 C \nATOM 946 NE2 HIS A 64 10.150 14.145 18.681 1.00 -0.57 N \nATOM 947 HA HIS A 64 8.164 13.021 15.100 1.00 0.09 H \nATOM 948 HB2 HIS A 64 7.313 11.725 17.107 1.00 0.04 H \nATOM 949 HB3 HIS A 64 8.686 10.594 16.867 1.00 0.04 H \nATOM 950 HD2 HIS A 64 8.018 14.245 18.145 1.00 0.11 H \nATOM 951 HE1 HIS A 64 12.146 13.342 18.695 1.00 0.14 H \nATOM 952 HD1 HIS A 64 11.072 11.445 17.356 1.00 0.36 H \nATOM 953 H HIS A 64 7.478 10.410 14.063 1.00 0.27 H \nATOM 954 N GLU A 65 10.528 12.600 14.542 1.00 -0.52 N \nATOM 955 CA GLU A 65 11.825 12.486 13.937 1.00 0.04 C \nATOM 956 C GLU A 65 12.793 11.483 14.615 1.00 0.54 C \nATOM 957 O GLU A 65 13.824 11.134 14.024 1.00 -0.58 O \nATOM 958 CB GLU A 65 12.465 13.889 13.840 1.00 0.06 C \nATOM 959 CG GLU A 65 12.594 14.659 15.164 1.00 0.01 C \nATOM 960 CD GLU A 65 11.434 15.615 15.570 1.00 0.81 C \nATOM 961 OE1 GLU A 65 11.716 16.522 16.418 1.00 -0.82 O \nATOM 962 OE2 GLU A 65 10.252 15.486 15.116 1.00 -0.82 O \nATOM 963 HA GLU A 65 11.666 12.120 12.912 1.00 0.11 H \nATOM 964 HB2 GLU A 65 13.474 13.771 13.419 1.00 -0.02 H \nATOM 965 HB3 GLU A 65 11.851 14.494 13.157 1.00 -0.02 H \nATOM 966 HG2 GLU A 65 12.700 13.914 15.967 1.00 -0.04 H \nATOM 967 HG3 GLU A 65 13.510 15.264 15.102 1.00 -0.04 H \nATOM 968 H GLU A 65 10.259 13.478 14.937 1.00 0.29 H \nATOM 969 N ASN A 66 12.512 11.057 15.844 1.00 -0.42 N \nATOM 970 CA ASN A 66 13.364 10.072 16.514 1.00 0.01 C \nATOM 971 C ASN A 66 12.609 8.741 16.770 1.00 0.60 C \nATOM 972 O ASN A 66 12.902 8.020 17.724 1.00 -0.57 O \nATOM 973 CB ASN A 66 13.927 10.610 17.833 1.00 -0.20 C \nATOM 974 CG ASN A 66 14.825 11.823 17.664 1.00 0.71 C \nATOM 975 OD1 ASN A 66 14.464 12.904 18.134 1.00 -0.59 O \nATOM 976 ND2 ASN A 66 16.028 11.647 17.052 1.00 -0.92 N \nATOM 977 HA ASN A 66 14.212 9.858 15.846 1.00 0.10 H \nATOM 978 HB2 ASN A 66 13.084 10.890 18.482 1.00 0.08 H \nATOM 979 HB3 ASN A 66 14.510 9.811 18.313 1.00 0.08 H \nATOM 980 HD22 ASN A 66 16.643 12.425 16.925 1.00 0.42 H \nATOM 981 HD21 ASN A 66 16.297 10.739 16.729 1.00 0.42 H \nATOM 982 H ASN A 66 11.707 11.415 16.317 1.00 0.27 H \nATOM 983 N VAL A 67 11.626 8.474 15.926 1.00 -0.42 N \nATOM 984 CA VAL A 67 10.862 7.247 15.912 1.00 -0.09 C \nATOM 985 C VAL A 67 10.797 6.799 14.454 1.00 0.60 C \nATOM 986 O VAL A 67 10.487 7.600 13.575 1.00 -0.57 O \nATOM 987 CB VAL A 67 9.421 7.484 16.464 1.00 0.30 C \nATOM 988 CG1 VAL A 67 8.504 6.314 16.142 1.00 -0.32 C \nATOM 989 CG2 VAL A 67 9.468 7.769 17.967 1.00 -0.32 C \nATOM 990 HA VAL A 67 11.365 6.482 16.523 1.00 0.10 H \nATOM 991 HB VAL A 67 9.011 8.375 15.965 1.00 -0.03 H \nATOM 992 HG11 VAL A 67 8.911 5.395 16.589 1.00 0.08 H \nATOM 993 HG12 VAL A 67 7.503 6.509 16.553 1.00 0.08 H \nATOM 994 HG13 VAL A 67 8.435 6.192 15.051 1.00 0.08 H \nATOM 995 HG21 VAL A 67 10.084 8.662 18.152 1.00 0.08 H \nATOM 996 HG22 VAL A 67 8.448 7.944 18.339 1.00 0.08 H \nATOM 997 HG23 VAL A 67 9.906 6.906 18.490 1.00 0.08 H \nATOM 998 H VAL A 67 11.395 9.172 15.248 1.00 0.27 H \nATOM 999 N VAL A 68 11.166 5.549 14.198 1.00 -0.42 N \nATOM 1000 CA VAL A 68 11.077 4.973 12.865 1.00 -0.09 C \nATOM 1001 C VAL A 68 9.672 5.185 12.247 1.00 0.60 C \nATOM 1002 O VAL A 68 8.655 4.731 12.789 1.00 -0.57 O \nATOM 1003 CB VAL A 68 11.468 3.477 12.888 1.00 0.30 C \nATOM 1004 CG1 VAL A 68 11.160 2.811 11.543 1.00 -0.32 C \nATOM 1005 CG2 VAL A 68 12.951 3.326 13.248 1.00 -0.32 C \nATOM 1006 HA VAL A 68 11.802 5.498 12.226 1.00 0.10 H \nATOM 1007 HB VAL A 68 10.871 2.975 13.664 1.00 -0.03 H \nATOM 1008 HG11 VAL A 68 11.721 3.320 10.745 1.00 0.08 H \nATOM 1009 HG12 VAL A 68 11.456 1.752 11.582 1.00 0.08 H \nATOM 1010 HG13 VAL A 68 10.082 2.883 11.337 1.00 0.08 H \nATOM 1011 HG21 VAL A 68 13.136 3.771 14.237 1.00 0.08 H \nATOM 1012 HG22 VAL A 68 13.216 2.259 13.272 1.00 0.08 H \nATOM 1013 HG23 VAL A 68 13.565 3.840 12.494 1.00 0.08 H \nATOM 1014 H VAL A 68 11.516 4.985 14.946 1.00 0.27 H \nATOM 1015 N LYS A 69 9.631 5.900 11.129 1.00 -0.35 N \nATOM 1016 CA LYS A 69 8.366 6.247 10.463 1.00 -0.24 C \nATOM 1017 C LYS A 69 7.662 5.003 9.897 1.00 0.73 C \nATOM 1018 O LYS A 69 8.296 4.109 9.362 1.00 -0.59 O \nATOM 1019 CB LYS A 69 8.627 7.305 9.366 1.00 -0.01 C \nATOM 1020 CG LYS A 69 7.358 7.991 8.829 1.00 0.02 C \nATOM 1021 CD LYS A 69 7.556 9.499 8.605 1.00 -0.05 C \nATOM 1022 CE LYS A 69 8.228 9.824 7.270 1.00 -0.01 C \nATOM 1023 NZ LYS A 69 7.295 10.528 6.295 1.00 -0.39 N \nATOM 1024 HA LYS A 69 7.698 6.694 11.214 1.00 0.14 H \nATOM 1025 HB2 LYS A 69 9.286 8.080 9.785 1.00 0.04 H \nATOM 1026 HB3 LYS A 69 9.133 6.810 8.524 1.00 0.04 H \nATOM 1027 HG2 LYS A 69 7.083 7.525 7.871 1.00 0.01 H \nATOM 1028 HG3 LYS A 69 6.544 7.846 9.555 1.00 0.01 H \nATOM 1029 HD2 LYS A 69 6.571 9.989 8.630 1.00 0.06 H \nATOM 1030 HD3 LYS A 69 8.183 9.894 9.418 1.00 0.06 H \nATOM 1031 HE2 LYS A 69 9.093 10.476 7.462 1.00 0.11 H \nATOM 1032 HE3 LYS A 69 8.571 8.885 6.812 1.00 0.11 H \nATOM 1033 HZ1 LYS A 69 6.971 11.391 6.703 1.00 0.34 H \nATOM 1034 HZ2 LYS A 69 7.790 10.726 5.440 1.00 0.34 H \nATOM 1035 HZ3 LYS A 69 6.506 9.933 6.096 1.00 0.34 H \nATOM 1036 H LYS A 69 10.490 6.214 10.725 1.00 0.27 H \nATOM 1037 N PHE A 70 6.352 4.944 10.072 1.00 -0.42 N \nATOM 1038 CA PHE A 70 5.508 3.871 9.543 1.00 -0.00 C \nATOM 1039 C PHE A 70 4.815 4.363 8.279 1.00 0.60 C \nATOM 1040 O PHE A 70 4.074 5.327 8.329 1.00 -0.57 O \nATOM 1041 CB PHE A 70 4.447 3.493 10.569 1.00 -0.03 C \nATOM 1042 CG PHE A 70 3.527 2.390 10.126 1.00 0.01 C \nATOM 1043 CD1 PHE A 70 3.968 1.085 10.081 1.00 -0.13 C \nATOM 1044 CD2 PHE A 70 2.203 2.670 9.770 1.00 -0.13 C \nATOM 1045 CE1 PHE A 70 3.131 0.073 9.691 1.00 -0.17 C \nATOM 1046 CE2 PHE A 70 1.351 1.663 9.370 1.00 -0.17 C \nATOM 1047 CZ PHE A 70 1.806 0.358 9.330 1.00 -0.11 C \nATOM 1048 HA PHE A 70 6.128 2.993 9.311 1.00 0.10 H \nATOM 1049 HB2 PHE A 70 4.956 3.169 11.489 1.00 0.03 H \nATOM 1050 HB3 PHE A 70 3.839 4.385 10.781 1.00 0.03 H \nATOM 1051 HD2 PHE A 70 1.843 3.692 9.809 1.00 0.13 H \nATOM 1052 HE2 PHE A 70 0.330 1.893 9.088 1.00 0.14 H \nATOM 1053 HZ PHE A 70 1.142 -0.441 9.021 1.00 0.13 H \nATOM 1054 HE1 PHE A 70 3.493 -0.948 9.661 1.00 0.14 H \nATOM 1055 HD1 PHE A 70 4.991 0.856 10.358 1.00 0.13 H \nATOM 1056 H PHE A 70 5.913 5.674 10.596 1.00 0.27 H \nATOM 1057 N TYR A 71 5.071 3.692 7.160 1.00 -0.42 N \nATOM 1058 CA TYR A 71 4.492 4.062 5.855 1.00 -0.00 C \nATOM 1059 C TYR A 71 3.244 3.254 5.509 1.00 0.60 C \nATOM 1060 O TYR A 71 2.340 3.779 4.884 1.00 -0.57 O \nATOM 1061 CB TYR A 71 5.507 3.869 4.744 1.00 -0.02 C \nATOM 1062 CG TYR A 71 6.763 4.661 4.880 1.00 -0.00 C \nATOM 1063 CD1 TYR A 71 6.735 6.042 5.063 1.00 -0.19 C \nATOM 1064 CD2 TYR A 71 7.992 4.035 4.824 1.00 -0.19 C \nATOM 1065 CE1 TYR A 71 7.919 6.773 5.179 1.00 -0.23 C \nATOM 1066 CE2 TYR A 71 9.176 4.751 4.951 1.00 -0.23 C \nATOM 1067 CZ TYR A 71 9.136 6.118 5.119 1.00 0.32 C \nATOM 1068 OH TYR A 71 10.331 6.812 5.216 1.00 -0.56 O \nATOM 1069 HA TYR A 71 4.214 5.125 5.899 1.00 0.09 H \nATOM 1070 HB3 TYR A 71 5.779 2.804 4.714 1.00 0.03 H \nATOM 1071 HB2 TYR A 71 5.029 4.152 3.795 1.00 0.03 H \nATOM 1072 HD2 TYR A 71 8.034 2.962 4.678 1.00 0.17 H \nATOM 1073 HE2 TYR A 71 10.129 4.235 4.918 1.00 0.17 H \nATOM 1074 HE1 TYR A 71 7.885 7.848 5.315 1.00 0.17 H \nATOM 1075 HD1 TYR A 71 5.782 6.555 5.116 1.00 0.17 H \nATOM 1076 HH TYR A 71 10.151 7.738 5.329 1.00 0.40 H \nATOM 1077 H TYR A 71 5.683 2.902 7.205 1.00 0.27 H \nATOM 1078 N GLY A 72 3.194 1.983 5.902 1.00 -0.42 N \nATOM 1079 CA GLY A 72 1.983 1.202 5.749 1.00 -0.03 C \nATOM 1080 C GLY A 72 2.140 -0.271 6.009 1.00 0.60 C \nATOM 1081 O GLY A 72 3.156 -0.714 6.552 1.00 -0.57 O \nATOM 1082 HA3 GLY A 72 1.233 1.594 6.451 1.00 0.07 H \nATOM 1083 HA2 GLY A 72 1.622 1.330 4.718 1.00 0.07 H \nATOM 1084 H GLY A 72 4.004 1.561 6.309 1.00 0.27 H \nATOM 1085 N HIS A 73 1.118 -1.031 5.609 1.00 -0.42 N \nATOM 1086 CA HIS A 73 1.098 -2.481 5.772 1.00 0.02 C \nATOM 1087 C HIS A 73 0.127 -3.167 4.798 1.00 0.60 C \nATOM 1088 O HIS A 73 -0.874 -2.584 4.397 1.00 -0.57 O \nATOM 1089 CB HIS A 73 0.677 -2.838 7.194 1.00 -0.05 C \nATOM 1090 CG HIS A 73 -0.730 -2.443 7.515 1.00 -0.03 C \nATOM 1091 ND1 HIS A 73 -1.757 -3.360 7.610 1.00 -0.38 N \nATOM 1092 CD2 HIS A 73 -1.287 -1.228 7.732 1.00 0.13 C \nATOM 1093 CE1 HIS A 73 -2.882 -2.724 7.888 1.00 0.21 C \nATOM 1094 NE2 HIS A 73 -2.624 -1.431 7.964 1.00 -0.57 N \nATOM 1095 HA HIS A 73 2.112 -2.865 5.588 1.00 0.09 H \nATOM 1096 HB2 HIS A 73 0.771 -3.926 7.323 1.00 0.04 H \nATOM 1097 HB3 HIS A 73 1.351 -2.326 7.896 1.00 0.04 H \nATOM 1098 HD2 HIS A 73 -0.771 -0.269 7.724 1.00 0.11 H \nATOM 1099 HE1 HIS A 73 -3.857 -3.188 8.030 1.00 0.14 H \nATOM 1100 HD1 HIS A 73 -1.662 -4.378 7.484 1.00 0.36 H \nATOM 1101 H HIS A 73 0.332 -0.587 5.179 1.00 0.27 H \nATOM 1102 N ARG A 74 0.437 -4.415 4.453 1.00 -0.35 N \nATOM 1103 CA ARG A 74 -0.411 -5.259 3.611 1.00 -0.26 C \nATOM 1104 C ARG A 74 -0.475 -6.703 4.167 1.00 0.73 C \nATOM 1105 O ARG A 74 0.509 -7.212 4.723 1.00 -0.59 O \nATOM 1106 CB ARG A 74 0.131 -5.261 2.180 1.00 -0.00 C \nATOM 1107 CG ARG A 74 -0.914 -5.545 1.109 1.00 0.04 C \nATOM 1108 CD ARG A 74 -0.383 -5.468 -0.322 1.00 0.05 C \nATOM 1109 NE ARG A 74 0.888 -6.186 -0.472 1.00 -0.53 N \nATOM 1110 CZ ARG A 74 2.058 -5.635 -0.827 1.00 0.81 C \nATOM 1111 NH1 ARG A 74 2.168 -4.329 -1.078 1.00 -0.86 N \nATOM 1112 NH2 ARG A 74 3.141 -6.402 -0.925 1.00 -0.86 N \nATOM 1113 HA ARG A 74 -1.429 -4.842 3.604 1.00 0.16 H \nATOM 1114 HB2 ARG A 74 0.571 -4.273 1.978 1.00 0.03 H \nATOM 1115 HB3 ARG A 74 0.913 -6.032 2.110 1.00 0.03 H \nATOM 1116 HG2 ARG A 74 -1.312 -6.557 1.275 1.00 0.03 H \nATOM 1117 HG3 ARG A 74 -1.725 -4.810 1.216 1.00 0.03 H \nATOM 1118 HD2 ARG A 74 -1.125 -5.912 -1.001 1.00 0.07 H \nATOM 1119 HD3 ARG A 74 -0.229 -4.412 -0.588 1.00 0.07 H \nATOM 1120 HE ARG A 74 0.881 -7.200 -0.289 1.00 0.35 H \nATOM 1121 HH12 ARG A 74 3.079 -3.932 -1.349 1.00 0.45 H \nATOM 1122 HH11 ARG A 74 1.342 -3.718 -1.001 1.00 0.45 H \nATOM 1123 HH22 ARG A 74 4.043 -5.987 -1.197 1.00 0.45 H \nATOM 1124 HH21 ARG A 74 3.077 -7.411 -0.729 1.00 0.45 H \nATOM 1125 H ARG A 74 1.298 -4.797 4.788 1.00 0.27 H \nATOM 1126 N ARG A 75 -1.631 -7.356 3.996 1.00 -0.35 N \nATOM 1127 CA ARG A 75 -1.883 -8.701 4.537 1.00 -0.26 C \nATOM 1128 C ARG A 75 -1.423 -9.872 3.639 1.00 0.73 C \nATOM 1129 O ARG A 75 -1.222 -10.971 4.140 1.00 -0.59 O \nATOM 1130 CB ARG A 75 -3.378 -8.870 4.847 1.00 -0.00 C \nATOM 1131 CG ARG A 75 -4.011 -7.697 5.590 1.00 0.04 C \nATOM 1132 CD ARG A 75 -4.847 -6.614 3.990 1.00 0.05 C \nATOM 1133 NE ARG A 75 -4.412 -7.149 2.697 1.00 -0.53 N \nATOM 1134 CZ ARG A 75 -5.174 -8.108 2.138 1.00 0.81 C \nATOM 1135 NH1 ARG A 75 -6.279 -8.516 2.738 1.00 -0.86 N \nATOM 1136 NH2 ARG A 75 -4.801 -8.652 0.977 1.00 -0.86 N \nATOM 1137 HA ARG A 75 -1.324 -8.777 5.482 1.00 0.16 H \nATOM 1138 HB2 ARG A 75 -3.913 -9.001 3.895 1.00 0.03 H \nATOM 1139 HB3 ARG A 75 -3.500 -9.773 5.464 1.00 0.03 H \nATOM 1140 HG2 ARG A 75 -4.783 -8.035 6.296 1.00 0.03 H \nATOM 1141 HG3 ARG A 75 -3.256 -7.105 6.128 1.00 0.03 H \nATOM 1142 HD2 ARG A 75 -5.944 -6.674 4.051 1.00 0.07 H \nATOM 1143 HD3 ARG A 75 -4.532 -5.563 4.066 1.00 0.07 H \nATOM 1144 HE ARG A 75 -3.558 -6.805 2.235 1.00 0.35 H \nATOM 1145 HH12 ARG A 75 -6.859 -9.250 2.306 1.00 0.45 H \nATOM 1146 HH11 ARG A 75 -6.560 -8.100 3.637 1.00 0.45 H \nATOM 1147 HH22 ARG A 75 -5.379 -9.386 0.543 1.00 0.45 H \nATOM 1148 HH21 ARG A 75 -3.936 -8.337 0.515 1.00 0.45 H \nATOM 1149 H ARG A 75 -2.358 -6.908 3.476 1.00 0.27 H \nATOM 1150 N GLU A 76 -1.277 -9.642 2.332 1.00 -0.52 N \nATOM 1151 CA GLU A 76 -0.863 -10.665 1.333 1.00 0.04 C \nATOM 1152 C GLU A 76 -0.793 -12.136 1.800 1.00 0.54 C \nATOM 1153 O GLU A 76 0.271 -12.776 1.760 1.00 -0.58 O \nATOM 1154 CB GLU A 76 0.473 -10.258 0.701 1.00 0.06 C \nATOM 1155 CG GLU A 76 0.856 -11.016 -0.572 1.00 0.01 C \nATOM 1156 CD GLU A 76 1.290 -10.104 -1.726 1.00 0.81 C \nATOM 1157 OE1 GLU A 76 1.567 -8.903 -1.502 1.00 -0.82 O \nATOM 1158 OE2 GLU A 76 1.356 -10.596 -2.877 1.00 -0.82 O \nATOM 1159 HA GLU A 76 -1.625 -10.637 0.540 1.00 0.11 H \nATOM 1160 HB2 GLU A 76 0.420 -9.187 0.455 1.00 -0.02 H \nATOM 1161 HB3 GLU A 76 1.265 -10.424 1.446 1.00 -0.02 H \nATOM 1162 HG2 GLU A 76 1.688 -11.695 -0.335 1.00 -0.04 H \nATOM 1163 HG3 GLU A 76 -0.014 -11.603 -0.902 1.00 -0.04 H \nATOM 1164 H GLU A 76 -1.459 -8.716 2.000 1.00 0.29 H \nATOM 1165 N GLY A 77 -1.950 -12.657 2.212 1.00 -0.42 N \nATOM 1166 CA GLY A 77 -2.111 -14.049 2.597 1.00 -0.03 C \nATOM 1167 C GLY A 77 -1.927 -14.278 4.084 1.00 0.60 C \nATOM 1168 O GLY A 77 -2.688 -13.742 4.902 1.00 -0.57 O \nATOM 1169 HA3 GLY A 77 -3.123 -14.376 2.315 1.00 0.07 H \nATOM 1170 HA2 GLY A 77 -1.367 -14.651 2.055 1.00 0.07 H \nATOM 1171 H GLY A 77 -2.749 -12.058 2.258 1.00 0.27 H \nATOM 1172 N ASN A 78 -0.918 -15.083 4.424 1.00 -0.42 N \nATOM 1173 CA ASN A 78 -0.583 -15.434 5.808 1.00 0.01 C \nATOM 1174 C ASN A 78 0.621 -14.606 6.324 1.00 0.60 C \nATOM 1175 O ASN A 78 1.135 -14.839 7.425 1.00 -0.57 O \nATOM 1176 CB ASN A 78 -0.267 -16.942 5.883 1.00 -0.20 C \nATOM 1177 CG ASN A 78 -1.030 -17.663 6.989 1.00 0.71 C \nATOM 1178 OD1 ASN A 78 -2.218 -17.405 7.225 1.00 -0.59 O \nATOM 1179 ND2 ASN A 78 -0.348 -18.591 7.664 1.00 -0.92 N \nATOM 1180 HA ASN A 78 -1.452 -15.220 6.447 1.00 0.10 H \nATOM 1181 HB2 ASN A 78 -0.530 -17.402 4.919 1.00 0.08 H \nATOM 1182 HB3 ASN A 78 0.811 -17.064 6.065 1.00 0.08 H \nATOM 1183 HD22 ASN A 78 -0.792 -19.100 8.402 1.00 0.42 H \nATOM 1184 HD21 ASN A 78 0.607 -18.777 7.432 1.00 0.42 H \nATOM 1185 H ASN A 78 -0.357 -15.470 3.692 1.00 0.27 H \nATOM 1186 N ILE A 79 1.068 -13.652 5.511 1.00 -0.42 N \nATOM 1187 CA ILE A 79 2.233 -12.833 5.813 1.00 -0.06 C \nATOM 1188 C ILE A 79 1.772 -11.408 6.047 1.00 0.60 C \nATOM 1189 O ILE A 79 1.007 -10.865 5.243 1.00 -0.57 O \nATOM 1190 CB ILE A 79 3.231 -12.817 4.612 1.00 0.13 C \nATOM 1191 CG1 ILE A 79 3.405 -14.202 3.970 1.00 -0.04 C \nATOM 1192 CG2 ILE A 79 4.588 -12.254 5.047 1.00 -0.32 C \nATOM 1193 CD1 ILE A 79 3.859 -14.128 2.480 1.00 -0.07 C \nATOM 1194 HA ILE A 79 2.736 -13.223 6.710 1.00 0.09 H \nATOM 1195 HB ILE A 79 2.816 -12.146 3.845 1.00 0.02 H \nATOM 1196 HG12 ILE A 79 4.162 -14.760 4.540 1.00 0.02 H \nATOM 1197 HG13 ILE A 79 2.444 -14.734 4.018 1.00 0.02 H \nATOM 1198 HD11 ILE A 79 4.820 -13.597 2.415 1.00 0.02 H \nATOM 1199 HD12 ILE A 79 3.975 -15.146 2.081 1.00 0.02 H \nATOM 1200 HD13 ILE A 79 3.102 -13.588 1.892 1.00 0.02 H \nATOM 1201 HG21 ILE A 79 5.000 -12.875 5.856 1.00 0.09 H \nATOM 1202 HG22 ILE A 79 5.279 -12.260 4.191 1.00 0.09 H \nATOM 1203 HG23 ILE A 79 4.459 -11.222 5.406 1.00 0.09 H \nATOM 1204 H ILE A 79 0.581 -13.490 4.653 1.00 0.27 H \nATOM 1205 N GLN A 80 2.247 -10.782 7.120 1.00 -0.42 N \nATOM 1206 CA GLN A 80 2.037 -9.344 7.280 1.00 -0.00 C \nATOM 1207 C GLN A 80 3.284 -8.604 6.822 1.00 0.60 C \nATOM 1208 O GLN A 80 4.410 -9.073 6.991 1.00 -0.57 O \nATOM 1209 CB GLN A 80 1.628 -8.971 8.722 1.00 -0.00 C \nATOM 1210 CG GLN A 80 0.105 -8.733 8.890 1.00 -0.06 C \nATOM 1211 CD GLN A 80 -0.398 -7.474 8.201 1.00 0.70 C \nATOM 1212 OE1 GLN A 80 0.373 -6.739 7.614 1.00 -0.61 O \nATOM 1213 NE2 GLN A 80 -1.696 -7.226 8.280 1.00 -0.94 N \nATOM 1214 HA GLN A 80 1.208 -9.048 6.620 1.00 0.09 H \nATOM 1215 HB2 GLN A 80 1.929 -9.790 9.392 1.00 0.02 H \nATOM 1216 HB3 GLN A 80 2.158 -8.050 9.007 1.00 0.02 H \nATOM 1217 HG2 GLN A 80 -0.430 -9.597 8.468 1.00 0.04 H \nATOM 1218 HG3 GLN A 80 -0.117 -8.653 9.964 1.00 0.04 H \nATOM 1219 HE22 GLN A 80 -2.077 -6.411 7.844 1.00 0.43 H \nATOM 1220 HE21 GLN A 80 -2.296 -7.854 8.776 1.00 0.43 H \nATOM 1221 H GLN A 80 2.748 -11.295 7.817 1.00 0.27 H \nATOM 1222 N TYR A 81 3.054 -7.465 6.184 1.00 -0.42 N \nATOM 1223 CA TYR A 81 4.116 -6.598 5.724 1.00 -0.00 C \nATOM 1224 C TYR A 81 3.961 -5.269 6.440 1.00 0.60 C \nATOM 1225 O TYR A 81 2.863 -4.749 6.556 1.00 -0.57 O \nATOM 1226 CB TYR A 81 4.052 -6.420 4.201 1.00 -0.02 C \nATOM 1227 CG TYR A 81 4.352 -7.711 3.450 1.00 -0.00 C \nATOM 1228 CD1 TYR A 81 5.662 -8.085 3.160 1.00 -0.19 C \nATOM 1229 CD2 TYR A 81 3.323 -8.572 3.067 1.00 -0.19 C \nATOM 1230 CE1 TYR A 81 5.944 -9.275 2.497 1.00 -0.23 C \nATOM 1231 CE2 TYR A 81 3.595 -9.769 2.404 1.00 -0.23 C \nATOM 1232 CZ TYR A 81 4.900 -10.116 2.120 1.00 0.32 C \nATOM 1233 OH TYR A 81 5.152 -11.301 1.453 1.00 -0.56 O \nATOM 1234 HA TYR A 81 5.088 -7.041 5.986 1.00 0.09 H \nATOM 1235 HB3 TYR A 81 3.042 -6.079 3.928 1.00 0.03 H \nATOM 1236 HB2 TYR A 81 4.789 -5.659 3.903 1.00 0.03 H \nATOM 1237 HD2 TYR A 81 2.296 -8.307 3.288 1.00 0.17 H \nATOM 1238 HE2 TYR A 81 2.783 -10.425 2.113 1.00 0.17 H \nATOM 1239 HE1 TYR A 81 6.970 -9.546 2.275 1.00 0.17 H \nATOM 1240 HD1 TYR A 81 6.478 -7.436 3.457 1.00 0.17 H \nATOM 1241 HH TYR A 81 6.089 -11.403 1.331 1.00 0.40 H \nATOM 1242 H TYR A 81 2.107 -7.194 6.014 1.00 0.27 H \nATOM 1243 N LEU A 82 5.065 -4.767 6.982 1.00 -0.42 N \nATOM 1244 CA LEU A 82 5.104 -3.438 7.560 1.00 -0.05 C \nATOM 1245 C LEU A 82 6.164 -2.682 6.797 1.00 0.60 C \nATOM 1246 O LEU A 82 7.288 -3.161 6.673 1.00 -0.57 O \nATOM 1247 CB LEU A 82 5.478 -3.489 9.040 1.00 -0.11 C \nATOM 1248 CG LEU A 82 4.699 -4.377 10.013 1.00 0.35 C \nATOM 1249 CD1 LEU A 82 4.990 -3.919 11.463 1.00 -0.41 C \nATOM 1250 CD2 LEU A 82 3.206 -4.364 9.731 1.00 -0.41 C \nATOM 1251 HA LEU A 82 4.126 -2.948 7.447 1.00 0.09 H \nATOM 1252 HB2 LEU A 82 6.527 -3.816 9.088 1.00 0.05 H \nATOM 1253 HB3 LEU A 82 5.397 -2.460 9.420 1.00 0.05 H \nATOM 1254 HG LEU A 82 5.056 -5.411 9.896 1.00 -0.04 H \nATOM 1255 HD21 LEU A 82 3.023 -4.722 8.707 1.00 0.10 H \nATOM 1256 HD22 LEU A 82 2.692 -5.022 10.447 1.00 0.10 H \nATOM 1257 HD23 LEU A 82 2.822 -3.338 9.835 1.00 0.10 H \nATOM 1258 HD11 LEU A 82 4.686 -2.869 11.584 1.00 0.10 H \nATOM 1259 HD12 LEU A 82 4.424 -4.548 12.167 1.00 0.10 H \nATOM 1260 HD13 LEU A 82 6.066 -4.015 11.669 1.00 0.10 H \nATOM 1261 H LEU A 82 5.896 -5.324 6.992 1.00 0.27 H \nATOM 1262 N PHE A 83 5.800 -1.518 6.276 1.00 -0.42 N \nATOM 1263 CA PHE A 83 6.733 -0.676 5.521 1.00 -0.00 C \nATOM 1264 C PHE A 83 7.141 0.483 6.420 1.00 0.60 C \nATOM 1265 O PHE A 83 6.310 1.219 6.919 1.00 -0.57 O \nATOM 1266 CB PHE A 83 6.098 -0.212 4.199 1.00 -0.03 C \nATOM 1267 CG PHE A 83 5.380 -1.348 3.457 1.00 0.01 C \nATOM 1268 CD1 PHE A 83 6.109 -2.329 2.805 1.00 -0.13 C \nATOM 1269 CD2 PHE A 83 3.998 -1.464 3.490 1.00 -0.13 C \nATOM 1270 CE1 PHE A 83 5.461 -3.399 2.160 1.00 -0.17 C \nATOM 1271 CE2 PHE A 83 3.345 -2.527 2.846 1.00 -0.17 C \nATOM 1272 CZ PHE A 83 4.079 -3.496 2.197 1.00 -0.11 C \nATOM 1273 HA PHE A 83 7.631 -1.264 5.279 1.00 0.10 H \nATOM 1274 HB2 PHE A 83 5.369 0.582 4.418 1.00 0.03 H \nATOM 1275 HB3 PHE A 83 6.890 0.188 3.549 1.00 0.03 H \nATOM 1276 HD2 PHE A 83 3.413 -0.722 4.021 1.00 0.13 H \nATOM 1277 HE2 PHE A 83 2.263 -2.586 2.859 1.00 0.14 H \nATOM 1278 HZ PHE A 83 3.578 -4.330 1.718 1.00 0.13 H \nATOM 1279 HE1 PHE A 83 6.043 -4.147 1.634 1.00 0.14 H \nATOM 1280 HD1 PHE A 83 7.191 -2.272 2.791 1.00 0.13 H \nATOM 1281 H PHE A 83 4.859 -1.205 6.402 1.00 0.27 H \nATOM 1282 N LEU A 84 8.444 0.614 6.600 1.00 -0.42 N \nATOM 1283 CA LEU A 84 9.027 1.447 7.631 1.00 -0.05 C \nATOM 1284 C LEU A 84 10.194 2.241 7.086 1.00 0.60 C \nATOM 1285 O LEU A 84 10.832 1.854 6.121 1.00 -0.57 O \nATOM 1286 CB LEU A 84 9.553 0.559 8.762 1.00 -0.11 C \nATOM 1287 CG LEU A 84 8.557 -0.406 9.426 1.00 0.35 C \nATOM 1288 CD1 LEU A 84 9.298 -1.527 10.158 1.00 -0.41 C \nATOM 1289 CD2 LEU A 84 7.673 0.354 10.356 1.00 -0.41 C \nATOM 1290 HA LEU A 84 8.261 2.135 8.019 1.00 0.09 H \nATOM 1291 HB2 LEU A 84 10.375 -0.046 8.351 1.00 0.05 H \nATOM 1292 HB3 LEU A 84 9.943 1.222 9.548 1.00 0.05 H \nATOM 1293 HG LEU A 84 7.932 -0.860 8.643 1.00 -0.04 H \nATOM 1294 HD21 LEU A 84 7.128 1.127 9.794 1.00 0.10 H \nATOM 1295 HD22 LEU A 84 6.954 -0.335 10.823 1.00 0.10 H \nATOM 1296 HD23 LEU A 84 8.285 0.830 11.136 1.00 0.10 H \nATOM 1297 HD11 LEU A 84 9.952 -1.092 10.928 1.00 0.10 H \nATOM 1298 HD12 LEU A 84 8.569 -2.199 10.634 1.00 0.10 H \nATOM 1299 HD13 LEU A 84 9.906 -2.096 9.439 1.00 0.10 H \nATOM 1300 H LEU A 84 9.059 0.112 5.992 1.00 0.27 H \nATOM 1301 N GLU A 85 10.496 3.336 7.752 1.00 -0.52 N \nATOM 1302 CA GLU A 85 11.651 4.140 7.423 1.00 0.04 C \nATOM 1303 C GLU A 85 12.909 3.323 7.473 1.00 0.54 C \nATOM 1304 O GLU A 85 13.189 2.651 8.477 1.00 -0.58 O \nATOM 1305 CB GLU A 85 11.755 5.280 8.424 1.00 0.06 C \nATOM 1306 CG GLU A 85 12.997 6.150 8.326 1.00 0.01 C \nATOM 1307 CD GLU A 85 12.926 7.317 9.289 1.00 0.81 C \nATOM 1308 OE1 GLU A 85 13.875 8.136 9.273 1.00 -0.82 O \nATOM 1309 OE2 GLU A 85 11.950 7.385 10.091 1.00 -0.82 O \nATOM 1310 HA GLU A 85 11.529 4.550 6.410 1.00 0.11 H \nATOM 1311 HB2 GLU A 85 10.879 5.930 8.284 1.00 -0.02 H \nATOM 1312 HB3 GLU A 85 11.730 4.843 9.433 1.00 -0.02 H \nATOM 1313 HG2 GLU A 85 13.881 5.541 8.565 1.00 -0.04 H \nATOM 1314 HG3 GLU A 85 13.084 6.537 7.300 1.00 -0.04 H \nATOM 1315 H GLU A 85 9.908 3.620 8.509 1.00 0.29 H \nATOM 1316 N TYR A 86 13.682 3.391 6.398 1.00 -0.42 N \nATOM 1317 CA TYR A 86 14.968 2.730 6.335 1.00 -0.00 C \nATOM 1318 C TYR A 86 16.056 3.519 7.059 1.00 0.60 C \nATOM 1319 O TYR A 86 16.320 4.703 6.764 1.00 -0.57 O \nATOM 1320 CB TYR A 86 15.399 2.516 4.876 1.00 -0.02 C \nATOM 1321 CG TYR A 86 16.774 1.904 4.741 1.00 -0.00 C \nATOM 1322 CD1 TYR A 86 17.141 0.792 5.481 1.00 -0.19 C \nATOM 1323 CD2 TYR A 86 17.716 2.448 3.852 1.00 -0.19 C \nATOM 1324 CE1 TYR A 86 18.380 0.235 5.338 1.00 -0.23 C \nATOM 1325 CE2 TYR A 86 18.945 1.878 3.693 1.00 -0.23 C \nATOM 1326 CZ TYR A 86 19.271 0.770 4.431 1.00 0.32 C \nATOM 1327 OH TYR A 86 20.520 0.236 4.302 1.00 -0.56 O \nATOM 1328 HA TYR A 86 14.870 1.748 6.821 1.00 0.09 H \nATOM 1329 HB3 TYR A 86 14.671 1.849 4.391 1.00 0.03 H \nATOM 1330 HB2 TYR A 86 15.399 3.491 4.366 1.00 0.03 H \nATOM 1331 HD2 TYR A 86 17.462 3.335 3.283 1.00 0.17 H \nATOM 1332 HE2 TYR A 86 19.656 2.297 2.990 1.00 0.17 H \nATOM 1333 HE1 TYR A 86 18.662 -0.625 5.935 1.00 0.17 H \nATOM 1334 HD1 TYR A 86 16.437 0.359 6.182 1.00 0.17 H \nATOM 1335 HH TYR A 86 20.600 -0.522 4.869 1.00 0.40 H \nATOM 1336 H TYR A 86 13.367 3.915 5.607 1.00 0.27 H \nATOM 1337 N CYS A 87 16.741 2.845 7.975 1.00 -0.42 N \nATOM 1338 CA CYS A 87 17.743 3.487 8.790 1.00 0.02 C \nATOM 1339 C CYS A 87 19.052 2.836 8.429 1.00 0.60 C \nATOM 1340 O CYS A 87 19.420 1.797 8.962 1.00 -0.57 O \nATOM 1341 CB CYS A 87 17.413 3.329 10.290 1.00 -0.12 C \nATOM 1342 SG CYS A 87 15.846 4.097 10.725 1.00 -0.31 S \nATOM 1343 HA CYS A 87 17.787 4.560 8.551 1.00 0.11 H \nATOM 1344 HB2 CYS A 87 17.361 2.257 10.530 1.00 0.11 H \nATOM 1345 HB3 CYS A 87 18.214 3.799 10.880 1.00 0.11 H \nATOM 1346 HG CYS A 87 15.671 3.970 11.710 1.00 0.19 H \nATOM 1347 H CYS A 87 16.558 1.870 8.103 1.00 0.27 H \nATOM 1348 N SER A 88 19.777 3.484 7.529 1.00 -0.42 N \nATOM 1349 CA SER A 88 20.916 2.885 6.855 1.00 -0.02 C \nATOM 1350 C SER A 88 22.146 2.756 7.744 1.00 0.60 C \nATOM 1351 O SER A 88 23.039 1.945 7.473 1.00 -0.57 O \nATOM 1352 CB SER A 88 21.248 3.704 5.603 1.00 0.21 C \nATOM 1353 OG SER A 88 21.836 4.942 5.957 1.00 -0.65 O \nATOM 1354 HA SER A 88 20.626 1.872 6.541 1.00 0.08 H \nATOM 1355 HB2 SER A 88 21.951 3.136 4.976 1.00 0.04 H \nATOM 1356 HB3 SER A 88 20.323 3.892 5.038 1.00 0.04 H \nATOM 1357 HG SER A 88 22.035 5.435 5.170 1.00 0.43 H \nATOM 1358 H SER A 88 19.529 4.426 7.304 1.00 0.27 H \nATOM 1359 N GLY A 89 22.202 3.563 8.805 1.00 -0.42 N \nATOM 1360 CA GLY A 89 23.218 3.447 9.827 1.00 -0.03 C \nATOM 1361 C GLY A 89 23.190 2.203 10.717 1.00 0.60 C \nATOM 1362 O GLY A 89 24.163 1.951 11.444 1.00 -0.57 O \nATOM 1363 HA3 GLY A 89 24.195 3.469 9.323 1.00 0.07 H \nATOM 1364 HA2 GLY A 89 23.125 4.324 10.485 1.00 0.07 H \nATOM 1365 H GLY A 89 21.511 4.280 8.897 1.00 0.27 H \nATOM 1366 N GLY A 90 22.111 1.427 10.663 1.00 -0.42 N \nATOM 1367 CA GLY A 90 22.009 0.193 11.413 1.00 -0.03 C \nATOM 1368 C GLY A 90 21.724 0.457 12.908 1.00 0.60 C \nATOM 1369 O GLY A 90 21.187 1.481 13.292 1.00 -0.57 O \nATOM 1370 HA3 GLY A 90 21.191 -0.412 10.995 1.00 0.07 H \nATOM 1371 HA2 GLY A 90 22.956 -0.359 11.322 1.00 0.07 H \nATOM 1372 H GLY A 90 21.344 1.706 10.085 1.00 0.27 H \nATOM 1373 N GLU A 91 22.067 -0.509 13.726 1.00 -0.52 N \nATOM 1374 CA GLU A 91 21.840 -0.479 15.189 1.00 0.04 C \nATOM 1375 C GLU A 91 22.800 0.350 15.924 1.00 0.54 C \nATOM 1376 O GLU A 91 23.985 0.304 15.648 1.00 -0.58 O \nATOM 1377 CB GLU A 91 21.946 -1.874 15.776 1.00 0.06 C \nATOM 1378 CG GLU A 91 20.891 -2.799 15.239 1.00 0.01 C \nATOM 1379 CD GLU A 91 21.067 -4.216 15.694 1.00 0.81 C \nATOM 1380 OE1 GLU A 91 20.426 -5.110 15.093 1.00 -0.82 O \nATOM 1381 OE2 GLU A 91 21.819 -4.431 16.641 1.00 -0.82 O \nATOM 1382 HA GLU A 91 20.828 -0.086 15.365 1.00 0.11 H \nATOM 1383 HB2 GLU A 91 22.936 -2.287 15.532 1.00 -0.02 H \nATOM 1384 HB3 GLU A 91 21.836 -1.808 16.868 1.00 -0.02 H \nATOM 1385 HG2 GLU A 91 19.907 -2.442 15.577 1.00 -0.04 H \nATOM 1386 HG3 GLU A 91 20.932 -2.776 14.140 1.00 -0.04 H \nATOM 1387 H GLU A 91 22.510 -1.317 13.337 1.00 0.29 H \nATOM 1388 N LEU A 92 22.314 1.079 16.929 1.00 -0.42 N \nATOM 1389 CA LEU A 92 23.211 1.770 17.867 1.00 -0.05 C \nATOM 1390 C LEU A 92 24.149 0.752 18.529 1.00 0.60 C \nATOM 1391 O LEU A 92 25.281 1.074 18.888 1.00 -0.57 O \nATOM 1392 CB LEU A 92 22.394 2.492 18.942 1.00 -0.11 C \nATOM 1393 CG LEU A 92 23.196 3.136 20.073 1.00 0.35 C \nATOM 1394 CD1 LEU A 92 23.976 4.310 19.587 1.00 -0.41 C \nATOM 1395 CD2 LEU A 92 22.239 3.560 21.237 1.00 -0.41 C \nATOM 1396 HA LEU A 92 23.811 2.508 17.314 1.00 0.09 H \nATOM 1397 HB2 LEU A 92 21.813 3.285 18.448 1.00 0.05 H \nATOM 1398 HB3 LEU A 92 21.707 1.760 19.391 1.00 0.05 H \nATOM 1399 HG LEU A 92 23.905 2.390 20.460 1.00 -0.04 H \nATOM 1400 HD21 LEU A 92 21.710 2.674 21.618 1.00 0.10 H \nATOM 1401 HD22 LEU A 92 22.827 4.012 22.049 1.00 0.10 H \nATOM 1402 HD23 LEU A 92 21.508 4.291 20.862 1.00 0.10 H \nATOM 1403 HD11 LEU A 92 23.288 5.058 19.166 1.00 0.10 H \nATOM 1404 HD12 LEU A 92 24.531 4.754 20.426 1.00 0.10 H \nATOM 1405 HD13 LEU A 92 24.684 3.984 18.811 1.00 0.10 H \nATOM 1406 H LEU A 92 21.324 1.157 17.047 1.00 0.27 H \nATOM 1407 N PHE A 93 23.653 -0.465 18.720 1.00 -0.42 N \nATOM 1408 CA PHE A 93 24.441 -1.551 19.294 1.00 -0.00 C \nATOM 1409 C PHE A 93 25.819 -1.647 18.635 1.00 0.60 C \nATOM 1410 O PHE A 93 26.823 -1.786 19.315 1.00 -0.57 O \nATOM 1411 CB PHE A 93 23.700 -2.879 19.102 1.00 -0.03 C \nATOM 1412 CG PHE A 93 24.404 -4.062 19.708 1.00 0.01 C \nATOM 1413 CD1 PHE A 93 25.261 -4.857 18.943 1.00 -0.13 C \nATOM 1414 CD2 PHE A 93 24.255 -4.361 21.049 1.00 -0.13 C \nATOM 1415 CE1 PHE A 93 25.933 -5.941 19.512 1.00 -0.17 C \nATOM 1416 CE2 PHE A 93 24.935 -5.482 21.623 1.00 -0.17 C \nATOM 1417 CZ PHE A 93 25.761 -6.260 20.844 1.00 -0.11 C \nATOM 1418 HA PHE A 93 24.573 -1.362 20.370 1.00 0.10 H \nATOM 1419 HB2 PHE A 93 22.707 -2.792 19.566 1.00 0.03 H \nATOM 1420 HB3 PHE A 93 23.586 -3.059 18.023 1.00 0.03 H \nATOM 1421 HD2 PHE A 93 23.618 -3.742 21.671 1.00 0.13 H \nATOM 1422 HE2 PHE A 93 24.799 -5.718 22.672 1.00 0.14 H \nATOM 1423 HZ PHE A 93 26.272 -7.115 21.272 1.00 0.13 H \nATOM 1424 HE1 PHE A 93 26.598 -6.539 18.900 1.00 0.14 H \nATOM 1425 HD1 PHE A 93 25.406 -4.629 17.893 1.00 0.13 H \nATOM 1426 H PHE A 93 22.704 -0.644 18.461 1.00 0.27 H \nATOM 1427 N ASP A 94 25.850 -1.552 17.304 1.00 -0.52 N \nATOM 1428 CA ASP A 94 27.121 -1.685 16.587 1.00 0.04 C \nATOM 1429 C ASP A 94 28.038 -0.496 16.696 1.00 0.54 C \nATOM 1430 O ASP A 94 29.193 -0.613 16.316 1.00 -0.58 O \nATOM 1431 CB ASP A 94 26.895 -2.100 15.125 1.00 -0.03 C \nATOM 1432 CG ASP A 94 26.284 -3.478 15.030 1.00 0.80 C \nATOM 1433 OD1 ASP A 94 25.423 -3.724 14.184 1.00 -0.80 O \nATOM 1434 OD2 ASP A 94 26.596 -4.375 15.808 1.00 -0.80 O \nATOM 1435 HA ASP A 94 27.653 -2.518 17.069 1.00 0.09 H \nATOM 1436 HB2 ASP A 94 26.219 -1.375 14.648 1.00 -0.01 H \nATOM 1437 HB3 ASP A 94 27.862 -2.100 14.600 1.00 -0.01 H \nATOM 1438 H ASP A 94 25.004 -1.390 16.795 1.00 0.29 H \nATOM 1439 N ARG A 95 27.568 0.622 17.247 1.00 -0.35 N \nATOM 1440 CA ARG A 95 28.440 1.758 17.538 1.00 -0.26 C \nATOM 1441 C ARG A 95 29.098 1.673 18.922 1.00 0.73 C \nATOM 1442 O ARG A 95 29.908 2.513 19.278 1.00 -0.59 O \nATOM 1443 CB ARG A 95 27.654 3.075 17.423 1.00 -0.00 C \nATOM 1444 CG ARG A 95 26.982 3.267 16.094 1.00 0.04 C \nATOM 1445 CD ARG A 95 27.978 3.226 14.924 1.00 0.05 C \nATOM 1446 NE ARG A 95 27.802 4.305 13.959 1.00 -0.53 N \nATOM 1447 CZ ARG A 95 27.978 5.610 14.204 1.00 0.81 C \nATOM 1448 NH1 ARG A 95 28.331 6.097 15.403 1.00 -0.86 N \nATOM 1449 NH2 ARG A 95 27.781 6.450 13.211 1.00 -0.86 N \nATOM 1450 HA ARG A 95 29.241 1.765 16.784 1.00 0.16 H \nATOM 1451 HB2 ARG A 95 26.882 3.088 18.207 1.00 0.03 H \nATOM 1452 HB3 ARG A 95 28.352 3.910 17.582 1.00 0.03 H \nATOM 1453 HG2 ARG A 95 26.240 2.467 15.954 1.00 0.03 H \nATOM 1454 HG3 ARG A 95 26.475 4.243 16.092 1.00 0.03 H \nATOM 1455 HD2 ARG A 95 28.997 3.291 15.334 1.00 0.07 H \nATOM 1456 HD3 ARG A 95 27.855 2.268 14.398 1.00 0.07 H \nATOM 1457 HE ARG A 95 27.517 4.040 13.005 1.00 0.35 H \nATOM 1458 HH12 ARG A 95 28.452 7.112 15.531 1.00 0.45 H \nATOM 1459 HH11 ARG A 95 28.481 5.456 16.195 1.00 0.45 H \nATOM 1460 HH22 ARG A 95 27.906 7.462 13.360 1.00 0.45 H \nATOM 1461 HH21 ARG A 95 27.501 6.096 12.285 1.00 0.45 H \nATOM 1462 H ARG A 95 26.595 0.685 17.467 1.00 0.27 H \nATOM 1463 N ILE A 96 28.770 0.641 19.699 1.00 -0.42 N \nATOM 1464 CA ILE A 96 29.339 0.490 21.013 1.00 -0.06 C \nATOM 1465 C ILE A 96 30.498 -0.501 20.981 1.00 0.60 C \nATOM 1466 O ILE A 96 30.279 -1.681 20.773 1.00 -0.57 O \nATOM 1467 CB ILE A 96 28.268 0.011 22.009 1.00 0.13 C \nATOM 1468 CG1 ILE A 96 27.083 0.986 22.039 1.00 -0.04 C \nATOM 1469 CG2 ILE A 96 28.908 -0.225 23.384 1.00 -0.32 C \nATOM 1470 CD1 ILE A 96 25.845 0.440 22.755 1.00 -0.07 C \nATOM 1471 HA ILE A 96 29.719 1.467 21.346 1.00 0.09 H \nATOM 1472 HB ILE A 96 27.884 -0.957 21.655 1.00 0.02 H \nATOM 1473 HG12 ILE A 96 27.403 1.904 22.553 1.00 0.02 H \nATOM 1474 HG13 ILE A 96 26.805 1.225 21.002 1.00 0.02 H \nATOM 1475 HD11 ILE A 96 26.101 0.196 23.797 1.00 0.02 H \nATOM 1476 HD12 ILE A 96 25.049 1.199 22.742 1.00 0.02 H \nATOM 1477 HD13 ILE A 96 25.495 -0.468 22.241 1.00 0.02 H \nATOM 1478 HG21 ILE A 96 29.360 0.711 23.744 1.00 0.09 H \nATOM 1479 HG22 ILE A 96 28.137 -0.557 24.095 1.00 0.09 H \nATOM 1480 HG23 ILE A 96 29.686 -0.998 23.299 1.00 0.09 H \nATOM 1481 H ILE A 96 28.118 -0.039 19.364 1.00 0.27 H \nATOM 1482 N GLU A 97 31.714 -0.022 21.214 1.00 -0.52 N \nATOM 1483 CA GLU A 97 32.906 -0.891 21.197 1.00 0.04 C \nATOM 1484 C GLU A 97 32.938 -1.654 22.501 1.00 0.54 C \nATOM 1485 O GLU A 97 32.871 -1.050 23.558 1.00 -0.58 O \nATOM 1486 CB GLU A 97 34.194 -0.059 21.021 1.00 0.06 C \nATOM 1487 CG GLU A 97 35.489 -0.872 20.941 1.00 0.01 C \nATOM 1488 CD GLU A 97 36.734 -0.003 20.770 1.00 0.81 C \nATOM 1489 OE1 GLU A 97 36.646 1.263 20.804 1.00 -0.82 O \nATOM 1490 OE2 GLU A 97 37.821 -0.596 20.620 1.00 -0.82 O \nATOM 1491 HA GLU A 97 32.827 -1.601 20.361 1.00 0.11 H \nATOM 1492 HB2 GLU A 97 34.099 0.523 20.092 1.00 -0.02 H \nATOM 1493 HB3 GLU A 97 34.275 0.627 21.877 1.00 -0.02 H \nATOM 1494 HG2 GLU A 97 35.594 -1.455 21.868 1.00 -0.04 H \nATOM 1495 HG3 GLU A 97 35.420 -1.557 20.083 1.00 -0.04 H \nATOM 1496 H GLU A 97 31.825 0.953 21.406 1.00 0.29 H \nATOM 1497 N PRO A 98 33.005 -2.989 22.457 1.00 -0.25 N \nATOM 1498 CA PRO A 98 32.995 -3.768 23.695 1.00 -0.03 C \nATOM 1499 C PRO A 98 34.084 -3.285 24.636 1.00 0.59 C \nATOM 1500 O PRO A 98 35.199 -3.042 24.193 1.00 -0.57 O \nATOM 1501 CB PRO A 98 33.248 -5.211 23.216 1.00 -0.01 C \nATOM 1502 CG PRO A 98 32.612 -5.229 21.836 1.00 0.02 C \nATOM 1503 CD PRO A 98 33.029 -3.862 21.259 1.00 0.02 C \nATOM 1504 HA PRO A 98 32.020 -3.692 24.199 1.00 0.06 H \nATOM 1505 HD3 PRO A 98 32.312 -3.515 20.500 1.00 0.04 H \nATOM 1506 HD2 PRO A 98 34.036 -3.906 20.819 1.00 0.04 H \nATOM 1507 HG3 PRO A 98 31.517 -5.315 21.904 1.00 0.02 H \nATOM 1508 HG2 PRO A 98 33.007 -6.055 21.227 1.00 0.02 H \nATOM 1509 HB2 PRO A 98 34.325 -5.425 23.158 1.00 0.03 H \nATOM 1510 HB3 PRO A 98 32.765 -5.940 23.884 1.00 0.03 H \nATOM 1511 N ASP A 99 33.731 -3.117 25.898 1.00 -0.52 N \nATOM 1512 CA ASP A 99 34.620 -2.666 26.933 1.00 0.04 C \nATOM 1513 C ASP A 99 35.076 -1.220 26.838 1.00 0.54 C \nATOM 1514 O ASP A 99 35.719 -0.729 27.744 1.00 -0.58 O \nATOM 1515 CB ASP A 99 35.849 -3.602 27.010 1.00 -0.03 C \nATOM 1516 CG ASP A 99 36.415 -3.650 28.388 1.00 0.80 C \nATOM 1517 OD1 ASP A 99 37.622 -3.293 28.528 1.00 -0.80 O \nATOM 1518 OD2 ASP A 99 35.696 -3.943 29.393 1.00 -0.80 O \nATOM 1519 HA ASP A 99 34.069 -2.758 27.881 1.00 0.09 H \nATOM 1520 HB2 ASP A 99 35.545 -4.617 26.713 1.00 -0.01 H \nATOM 1521 HB3 ASP A 99 36.622 -3.234 26.319 1.00 -0.01 H \nATOM 1522 H ASP A 99 32.784 -3.317 26.149 1.00 0.29 H \nATOM 1523 N ILE A 100 34.732 -0.517 25.772 1.00 -0.42 N \nATOM 1524 CA ILE A 100 35.123 0.882 25.666 1.00 -0.06 C \nATOM 1525 C ILE A 100 33.901 1.793 25.651 1.00 0.60 C \nATOM 1526 O ILE A 100 33.855 2.763 26.417 1.00 -0.57 O \nATOM 1527 CB ILE A 100 36.049 1.077 24.446 1.00 0.13 C \nATOM 1528 CG1 ILE A 100 37.419 0.468 24.800 1.00 -0.04 C \nATOM 1529 CG2 ILE A 100 36.199 2.547 24.104 1.00 -0.32 C \nATOM 1530 CD1 ILE A 100 38.052 -0.275 23.664 1.00 -0.07 C \nATOM 1531 HA ILE A 100 35.705 1.137 26.564 1.00 0.09 H \nATOM 1532 HB ILE A 100 35.625 0.551 23.578 1.00 0.02 H \nATOM 1533 HG12 ILE A 100 38.094 1.282 25.104 1.00 0.02 H \nATOM 1534 HG13 ILE A 100 37.284 -0.229 25.640 1.00 0.02 H \nATOM 1535 HD11 ILE A 100 38.195 0.408 22.814 1.00 0.02 H \nATOM 1536 HD12 ILE A 100 39.027 -0.672 23.983 1.00 0.02 H \nATOM 1537 HD13 ILE A 100 37.399 -1.107 23.361 1.00 0.02 H \nATOM 1538 HG21 ILE A 100 36.622 3.083 24.966 1.00 0.09 H \nATOM 1539 HG22 ILE A 100 36.870 2.656 23.240 1.00 0.09 H \nATOM 1540 HG23 ILE A 100 35.213 2.969 23.858 1.00 0.09 H \nATOM 1541 H ILE A 100 34.204 -0.946 25.039 1.00 0.27 H \nATOM 1542 N GLY A 101 32.922 1.478 24.825 1.00 -0.42 N \nATOM 1543 CA GLY A 101 31.786 2.368 24.629 1.00 -0.03 C \nATOM 1544 C GLY A 101 31.962 3.196 23.358 1.00 0.60 C \nATOM 1545 O GLY A 101 32.184 2.659 22.294 1.00 -0.57 O \nATOM 1546 HA3 GLY A 101 30.868 1.768 24.545 1.00 0.07 H \nATOM 1547 HA2 GLY A 101 31.704 3.045 25.492 1.00 0.07 H \nATOM 1548 H GLY A 101 32.961 0.613 24.325 1.00 0.27 H \nATOM 1549 N MET A 102 31.898 4.515 23.508 1.00 -0.42 N \nATOM 1550 CA MET A 102 32.041 5.447 22.409 1.00 -0.02 C \nATOM 1551 C MET A 102 32.452 6.801 23.015 1.00 0.60 C \nATOM 1552 O MET A 102 32.385 6.978 24.252 1.00 -0.57 O \nATOM 1553 CB MET A 102 30.716 5.533 21.626 1.00 0.03 C \nATOM 1554 CG MET A 102 29.581 6.252 22.386 1.00 0.00 C \nATOM 1555 SD MET A 102 28.156 6.447 21.319 1.00 -0.27 S \nATOM 1556 CE MET A 102 27.662 4.738 21.214 1.00 -0.05 C \nATOM 1557 HA MET A 102 32.832 5.100 21.728 1.00 0.09 H \nATOM 1558 HB2 MET A 102 30.903 6.077 20.689 1.00 0.02 H \nATOM 1559 HB3 MET A 102 30.384 4.510 21.396 1.00 0.02 H \nATOM 1560 HG2 MET A 102 29.298 5.656 23.266 1.00 0.04 H \nATOM 1561 HG3 MET A 102 29.931 7.243 22.711 1.00 0.04 H \nATOM 1562 HE1 MET A 102 27.441 4.358 22.222 1.00 0.07 H \nATOM 1563 HE2 MET A 102 26.763 4.654 20.585 1.00 0.07 H \nATOM 1564 HE3 MET A 102 28.477 4.147 20.770 1.00 0.07 H \nATOM 1565 H MET A 102 31.743 4.882 24.425 1.00 0.27 H \nATOM 1566 N PRO A 103 32.875 7.741 22.189 1.00 -0.25 N \nATOM 1567 CA PRO A 103 33.200 9.081 22.692 1.00 -0.03 C \nATOM 1568 C PRO A 103 31.984 9.737 23.376 1.00 0.59 C \nATOM 1569 O PRO A 103 30.877 9.684 22.859 1.00 -0.57 O \nATOM 1570 CB PRO A 103 33.626 9.824 21.456 1.00 -0.01 C \nATOM 1571 CG PRO A 103 34.129 8.732 20.524 1.00 0.02 C \nATOM 1572 CD PRO A 103 33.147 7.627 20.741 1.00 0.02 C \nATOM 1573 HA PRO A 103 34.029 9.032 23.414 1.00 0.06 H \nATOM 1574 HD3 PRO A 103 33.584 6.649 20.492 1.00 0.04 H \nATOM 1575 HD2 PRO A 103 32.233 7.782 20.149 1.00 0.04 H \nATOM 1576 HG3 PRO A 103 35.147 8.416 20.798 1.00 0.02 H \nATOM 1577 HG2 PRO A 103 34.119 9.070 19.477 1.00 0.02 H \nATOM 1578 HB2 PRO A 103 32.775 10.358 21.008 1.00 0.03 H \nATOM 1579 HB3 PRO A 103 34.428 10.540 21.688 1.00 0.03 H \nATOM 1580 N GLU A 104 32.229 10.304 24.541 1.00 -0.52 N \nATOM 1581 CA GLU A 104 31.186 10.886 25.378 1.00 0.04 C \nATOM 1582 C GLU A 104 30.292 11.913 24.645 1.00 0.54 C \nATOM 1583 O GLU A 104 29.084 11.969 24.916 1.00 -0.58 O \nATOM 1584 CB GLU A 104 31.800 11.510 26.620 1.00 0.06 C \nATOM 1585 CG GLU A 104 30.863 11.741 27.766 1.00 0.01 C \nATOM 1586 CD GLU A 104 31.574 12.306 28.970 1.00 0.81 C \nATOM 1587 OE1 GLU A 104 31.322 13.521 29.238 1.00 -0.82 O \nATOM 1588 OE2 GLU A 104 32.375 11.529 29.623 1.00 -0.82 O \nATOM 1589 HA GLU A 104 30.533 10.062 25.702 1.00 0.11 H \nATOM 1590 HB2 GLU A 104 32.603 10.845 26.970 1.00 -0.02 H \nATOM 1591 HB3 GLU A 104 32.228 12.482 26.333 1.00 -0.02 H \nATOM 1592 HG2 GLU A 104 30.082 12.448 27.450 1.00 -0.04 H \nATOM 1593 HG3 GLU A 104 30.399 10.783 28.044 1.00 -0.04 H \nATOM 1594 H GLU A 104 33.174 10.336 24.866 1.00 0.29 H \nATOM 1595 N PRO A 105 30.853 12.734 23.762 1.00 -0.25 N \nATOM 1596 CA PRO A 105 30.011 13.647 22.962 1.00 -0.03 C \nATOM 1597 C PRO A 105 29.044 12.900 22.042 1.00 0.59 C \nATOM 1598 O PRO A 105 27.929 13.379 21.873 1.00 -0.57 O \nATOM 1599 CB PRO A 105 31.016 14.447 22.129 1.00 -0.01 C \nATOM 1600 CG PRO A 105 32.378 14.314 22.884 1.00 0.02 C \nATOM 1601 CD PRO A 105 32.291 12.920 23.483 1.00 0.02 C \nATOM 1602 HA PRO A 105 29.436 14.312 23.624 1.00 0.06 H \nATOM 1603 HD3 PRO A 105 32.880 12.856 24.410 1.00 0.04 H \nATOM 1604 HD2 PRO A 105 32.650 12.165 22.768 1.00 0.04 H \nATOM 1605 HG3 PRO A 105 32.473 15.078 23.669 1.00 0.02 H \nATOM 1606 HG2 PRO A 105 33.227 14.395 22.189 1.00 0.02 H \nATOM 1607 HB2 PRO A 105 31.095 14.028 21.115 1.00 0.03 H \nATOM 1608 HB3 PRO A 105 30.711 15.502 22.067 1.00 0.03 H \nATOM 1609 N ASP A 106 29.437 11.764 21.462 1.00 -0.52 N \nATOM 1610 CA ASP A 106 28.491 10.968 20.667 1.00 0.04 C \nATOM 1611 C ASP A 106 27.393 10.359 21.555 1.00 0.54 C \nATOM 1612 O ASP A 106 26.223 10.362 21.194 1.00 -0.58 O \nATOM 1613 CB ASP A 106 29.201 9.805 19.986 1.00 -0.03 C \nATOM 1614 CG ASP A 106 30.235 10.252 18.976 1.00 0.80 C \nATOM 1615 OD1 ASP A 106 30.402 11.449 18.743 1.00 -0.80 O \nATOM 1616 OD2 ASP A 106 30.926 9.452 18.357 1.00 -0.80 O \nATOM 1617 HA ASP A 106 28.032 11.618 19.907 1.00 0.09 H \nATOM 1618 HB2 ASP A 106 29.702 9.201 20.757 1.00 -0.01 H \nATOM 1619 HB3 ASP A 106 28.450 9.190 19.469 1.00 -0.01 H \nATOM 1620 H ASP A 106 30.381 11.452 21.569 1.00 0.29 H \nATOM 1621 N ALA A 107 27.796 9.817 22.685 1.00 -0.42 N \nATOM 1622 CA ALA A 107 26.881 9.228 23.663 1.00 0.03 C \nATOM 1623 C ALA A 107 25.860 10.269 24.129 1.00 0.60 C \nATOM 1624 O ALA A 107 24.649 10.002 24.193 1.00 -0.57 O \nATOM 1625 CB ALA A 107 27.646 8.663 24.810 1.00 -0.18 C \nATOM 1626 HA ALA A 107 26.335 8.406 23.177 1.00 0.08 H \nATOM 1627 HB1 ALA A 107 26.947 8.224 25.537 1.00 0.06 H \nATOM 1628 HB2 ALA A 107 28.332 7.884 24.445 1.00 0.06 H \nATOM 1629 HB3 ALA A 107 28.224 9.463 25.295 1.00 0.06 H \nATOM 1630 H ALA A 107 28.776 9.807 22.885 1.00 0.27 H \nATOM 1631 N GLN A 108 26.319 11.480 24.402 1.00 -0.42 N \nATOM 1632 CA GLN A 108 25.394 12.544 24.834 1.00 -0.00 C \nATOM 1633 C GLN A 108 24.351 12.902 23.772 1.00 0.60 C \nATOM 1634 O GLN A 108 23.163 13.065 24.082 1.00 -0.57 O \nATOM 1635 CB GLN A 108 26.160 13.802 25.209 1.00 -0.00 C \nATOM 1636 CG GLN A 108 25.330 14.808 25.981 1.00 -0.06 C \nATOM 1637 CD GLN A 108 25.919 16.211 25.949 1.00 0.70 C \nATOM 1638 OE1 GLN A 108 26.297 16.719 24.866 1.00 -0.61 O \nATOM 1639 NE2 GLN A 108 26.060 16.803 27.126 1.00 -0.94 N \nATOM 1640 HA GLN A 108 24.861 12.181 25.725 1.00 0.09 H \nATOM 1641 HB2 GLN A 108 27.022 13.513 25.829 1.00 0.02 H \nATOM 1642 HB3 GLN A 108 26.517 14.281 24.285 1.00 0.02 H \nATOM 1643 HG2 GLN A 108 24.321 14.841 25.543 1.00 0.04 H \nATOM 1644 HG3 GLN A 108 25.264 14.479 27.029 1.00 0.04 H \nATOM 1645 HE22 GLN A 108 26.441 17.726 27.179 1.00 0.43 H \nATOM 1646 HE21 GLN A 108 25.786 16.327 27.961 1.00 0.43 H \nATOM 1647 H GLN A 108 27.296 11.674 24.315 1.00 0.27 H \nATOM 1648 N ARG A 109 24.798 13.044 22.526 1.00 -0.35 N \nATOM 1649 CA ARG A 109 23.915 13.367 21.411 1.00 -0.26 C \nATOM 1650 C ARG A 109 22.875 12.271 21.177 1.00 0.73 C \nATOM 1651 O ARG A 109 21.689 12.568 20.877 1.00 -0.59 O \nATOM 1652 CB ARG A 109 24.732 13.607 20.126 1.00 -0.00 C \nATOM 1653 CG ARG A 109 23.884 14.029 18.935 1.00 0.04 C \nATOM 1654 CD ARG A 109 24.659 14.446 17.680 1.00 0.05 C \nATOM 1655 NE ARG A 109 24.895 13.189 17.082 1.00 -0.53 N \nATOM 1656 CZ ARG A 109 24.213 12.641 16.099 1.00 0.81 C \nATOM 1657 NH1 ARG A 109 23.341 13.307 15.343 1.00 -0.86 N \nATOM 1658 NH2 ARG A 109 24.514 11.412 15.814 1.00 -0.86 N \nATOM 1659 HA ARG A 109 23.381 14.296 21.659 1.00 0.16 H \nATOM 1660 HB2 ARG A 109 25.470 14.398 20.326 1.00 0.03 H \nATOM 1661 HB3 ARG A 109 25.255 12.675 19.867 1.00 0.03 H \nATOM 1662 HG2 ARG A 109 23.235 13.183 18.666 1.00 0.03 H \nATOM 1663 HG3 ARG A 109 23.263 14.882 19.248 1.00 0.03 H \nATOM 1664 HD2 ARG A 109 24.056 15.096 17.030 1.00 0.07 H \nATOM 1665 HD3 ARG A 109 25.600 14.955 17.936 1.00 0.07 H \nATOM 1666 HE ARG A 109 25.685 12.643 17.455 1.00 0.35 H \nATOM 1667 HH12 ARG A 109 22.838 12.821 14.587 1.00 0.45 H \nATOM 1668 HH11 ARG A 109 23.170 14.308 15.514 1.00 0.45 H \nATOM 1669 HH22 ARG A 109 24.018 10.923 15.055 1.00 0.45 H \nATOM 1670 HH21 ARG A 109 25.249 10.925 16.347 1.00 0.45 H \nATOM 1671 H ARG A 109 25.775 12.925 22.348 1.00 0.27 H \nATOM 1672 N PHE A 110 23.304 11.003 21.269 1.00 -0.42 N \nATOM 1673 CA PHE A 110 22.396 9.895 21.081 1.00 -0.00 C \nATOM 1674 C PHE A 110 21.398 9.909 22.232 1.00 0.60 C \nATOM 1675 O PHE A 110 20.228 9.636 22.036 1.00 -0.57 O \nATOM 1676 CB PHE A 110 23.121 8.553 21.054 1.00 -0.03 C \nATOM 1677 CG PHE A 110 23.876 8.271 19.783 1.00 0.01 C \nATOM 1678 CD1 PHE A 110 23.309 8.485 18.529 1.00 -0.13 C \nATOM 1679 CD2 PHE A 110 25.168 7.737 19.846 1.00 -0.13 C \nATOM 1680 CE1 PHE A 110 24.029 8.206 17.354 1.00 -0.17 C \nATOM 1681 CE2 PHE A 110 25.850 7.402 18.678 1.00 -0.17 C \nATOM 1682 CZ PHE A 110 25.283 7.662 17.432 1.00 -0.11 C \nATOM 1683 HA PHE A 110 21.862 10.027 20.128 1.00 0.10 H \nATOM 1684 HB2 PHE A 110 23.837 8.533 21.889 1.00 0.03 H \nATOM 1685 HB3 PHE A 110 22.374 7.757 21.192 1.00 0.03 H \nATOM 1686 HD2 PHE A 110 25.641 7.583 20.809 1.00 0.13 H \nATOM 1687 HE2 PHE A 110 26.827 6.937 18.739 1.00 0.14 H \nATOM 1688 HZ PHE A 110 25.834 7.434 16.526 1.00 0.13 H \nATOM 1689 HE1 PHE A 110 23.591 8.422 16.386 1.00 0.14 H \nATOM 1690 HD1 PHE A 110 22.299 8.872 18.458 1.00 0.13 H \nATOM 1691 H PHE A 110 24.267 10.822 21.471 1.00 0.27 H \nATOM 1692 N PHE A 111 21.888 10.170 23.444 1.00 -0.42 N \nATOM 1693 CA PHE A 111 21.021 10.228 24.608 1.00 -0.00 C \nATOM 1694 C PHE A 111 19.963 11.373 24.535 1.00 0.60 C \nATOM 1695 O PHE A 111 18.814 11.185 24.886 1.00 -0.57 O \nATOM 1696 CB PHE A 111 21.862 10.286 25.880 1.00 -0.03 C \nATOM 1697 CG PHE A 111 21.076 10.048 27.123 1.00 0.01 C \nATOM 1698 CD1 PHE A 111 20.643 8.757 27.459 1.00 -0.13 C \nATOM 1699 CD2 PHE A 111 20.740 11.104 27.945 1.00 -0.13 C \nATOM 1700 CE1 PHE A 111 19.930 8.532 28.574 1.00 -0.17 C \nATOM 1701 CE2 PHE A 111 19.975 10.903 29.075 1.00 -0.17 C \nATOM 1702 CZ PHE A 111 19.541 9.616 29.386 1.00 -0.11 C \nATOM 1703 HA PHE A 111 20.457 9.284 24.636 1.00 0.10 H \nATOM 1704 HB2 PHE A 111 22.648 9.520 25.813 1.00 0.03 H \nATOM 1705 HB3 PHE A 111 22.325 11.282 25.946 1.00 0.03 H \nATOM 1706 HD2 PHE A 111 21.081 12.103 27.700 1.00 0.13 H \nATOM 1707 HE2 PHE A 111 19.714 11.738 29.715 1.00 0.14 H \nATOM 1708 HZ PHE A 111 18.907 9.449 30.249 1.00 0.13 H \nATOM 1709 HE1 PHE A 111 19.655 7.520 28.849 1.00 0.14 H \nATOM 1710 HD1 PHE A 111 20.888 7.926 26.807 1.00 0.13 H \nATOM 1711 H PHE A 111 22.869 10.329 23.554 1.00 0.27 H \nATOM 1712 N HIS A 112 20.369 12.539 24.035 1.00 -0.42 N \nATOM 1713 CA HIS A 112 19.471 13.650 23.755 1.00 0.02 C \nATOM 1714 C HIS A 112 18.343 13.249 22.825 1.00 0.60 C \nATOM 1715 O HIS A 112 17.194 13.523 23.086 1.00 -0.57 O \nATOM 1716 CB HIS A 112 20.239 14.797 23.101 1.00 -0.05 C \nATOM 1717 CG HIS A 112 21.112 15.576 24.035 1.00 -0.03 C \nATOM 1718 ND1 HIS A 112 22.054 16.471 23.576 1.00 -0.38 N \nATOM 1719 CD2 HIS A 112 21.197 15.600 25.393 1.00 0.13 C \nATOM 1720 CE1 HIS A 112 22.671 17.022 24.613 1.00 0.21 C \nATOM 1721 NE2 HIS A 112 22.173 16.514 25.728 1.00 -0.57 N \nATOM 1722 HA HIS A 112 19.041 13.998 24.706 1.00 0.09 H \nATOM 1723 HB2 HIS A 112 20.875 14.376 22.308 1.00 0.04 H \nATOM 1724 HB3 HIS A 112 19.509 15.489 22.657 1.00 0.04 H \nATOM 1725 HD2 HIS A 112 20.604 15.007 26.087 1.00 0.11 H \nATOM 1726 HE1 HIS A 112 23.459 17.771 24.556 1.00 0.14 H \nATOM 1727 HD1 HIS A 112 22.248 16.679 22.586 1.00 0.36 H \nATOM 1728 H HIS A 112 21.343 12.657 23.842 1.00 0.27 H \nATOM 1729 N GLN A 113 18.685 12.523 21.773 1.00 -0.42 N \nATOM 1730 CA GLN A 113 17.744 12.160 20.750 1.00 -0.00 C \nATOM 1731 C GLN A 113 16.840 11.046 21.298 1.00 0.60 C \nATOM 1732 O GLN A 113 15.664 11.024 21.003 1.00 -0.57 O \nATOM 1733 CB GLN A 113 18.491 11.727 19.493 1.00 -0.00 C \nATOM 1734 CG GLN A 113 19.134 12.903 18.755 1.00 -0.06 C \nATOM 1735 CD GLN A 113 19.943 12.468 17.537 1.00 0.70 C \nATOM 1736 OE1 GLN A 113 20.002 11.289 17.239 1.00 -0.61 O \nATOM 1737 NE2 GLN A 113 20.552 13.420 16.835 1.00 -0.94 N \nATOM 1738 HA GLN A 113 17.121 13.033 20.503 1.00 0.09 H \nATOM 1739 HB2 GLN A 113 19.281 11.017 19.780 1.00 0.02 H \nATOM 1740 HB3 GLN A 113 17.781 11.231 18.815 1.00 0.02 H \nATOM 1741 HG2 GLN A 113 18.339 13.586 18.422 1.00 0.04 H \nATOM 1742 HG3 GLN A 113 19.803 13.431 19.451 1.00 0.04 H \nATOM 1743 HE22 GLN A 113 21.093 13.179 16.029 1.00 0.43 H \nATOM 1744 HE21 GLN A 113 20.469 14.377 17.113 1.00 0.43 H \nATOM 1745 H GLN A 113 19.633 12.216 21.687 1.00 0.27 H \nATOM 1746 N LEU A 114 17.408 10.144 22.108 1.00 -0.42 N \nATOM 1747 CA LEU A 114 16.639 9.095 22.759 1.00 -0.05 C \nATOM 1748 C LEU A 114 15.597 9.722 23.674 1.00 0.60 C \nATOM 1749 O LEU A 114 14.421 9.384 23.612 1.00 -0.57 O \nATOM 1750 CB LEU A 114 17.536 8.139 23.525 1.00 -0.11 C \nATOM 1751 CG LEU A 114 16.941 7.028 24.387 1.00 0.35 C \nATOM 1752 CD1 LEU A 114 16.027 6.125 23.623 1.00 -0.41 C \nATOM 1753 CD2 LEU A 114 18.084 6.194 25.031 1.00 -0.41 C \nATOM 1754 HA LEU A 114 16.115 8.519 21.982 1.00 0.09 H \nATOM 1755 HB2 LEU A 114 18.179 7.647 22.780 1.00 0.05 H \nATOM 1756 HB3 LEU A 114 18.155 8.757 24.193 1.00 0.05 H \nATOM 1757 HG LEU A 114 16.357 7.500 25.191 1.00 -0.04 H \nATOM 1758 HD21 LEU A 114 18.713 6.850 25.651 1.00 0.10 H \nATOM 1759 HD22 LEU A 114 17.651 5.402 25.659 1.00 0.10 H \nATOM 1760 HD23 LEU A 114 18.698 5.740 24.239 1.00 0.10 H \nATOM 1761 HD11 LEU A 114 16.581 5.658 22.795 1.00 0.10 H \nATOM 1762 HD12 LEU A 114 15.640 5.343 24.293 1.00 0.10 H \nATOM 1763 HD13 LEU A 114 15.188 6.710 23.219 1.00 0.10 H \nATOM 1764 H LEU A 114 18.393 10.193 22.271 1.00 0.27 H \nATOM 1765 N MET A 115 15.996 10.687 24.484 1.00 -0.42 N \nATOM 1766 CA MET A 115 15.003 11.373 25.347 1.00 -0.02 C \nATOM 1767 C MET A 115 13.952 12.077 24.519 1.00 0.60 C \nATOM 1768 O MET A 115 12.763 12.028 24.851 1.00 -0.57 O \nATOM 1769 CB MET A 115 15.702 12.391 26.238 1.00 0.03 C \nATOM 1770 CG MET A 115 16.541 11.768 27.269 1.00 0.00 C \nATOM 1771 SD MET A 115 15.626 10.811 28.479 1.00 -0.27 S \nATOM 1772 CE MET A 115 16.084 9.223 27.754 1.00 -0.05 C \nATOM 1773 HA MET A 115 14.510 10.621 25.980 1.00 0.09 H \nATOM 1774 HB2 MET A 115 16.337 13.031 25.608 1.00 0.02 H \nATOM 1775 HB3 MET A 115 14.937 13.007 26.733 1.00 0.02 H \nATOM 1776 HG2 MET A 115 17.260 11.100 26.772 1.00 0.04 H \nATOM 1777 HG3 MET A 115 17.086 12.564 27.798 1.00 0.04 H \nATOM 1778 HE1 MET A 115 17.179 9.120 27.758 1.00 0.07 H \nATOM 1779 HE2 MET A 115 15.637 8.408 28.343 1.00 0.07 H \nATOM 1780 HE3 MET A 115 15.715 9.172 26.719 1.00 0.07 H \nATOM 1781 H MET A 115 16.960 10.953 24.515 1.00 0.27 H \nATOM 1782 N ALA A 116 14.347 12.723 23.416 1.00 -0.42 N \nATOM 1783 CA ALA A 116 13.317 13.389 22.603 1.00 0.03 C \nATOM 1784 C ALA A 116 12.275 12.383 22.061 1.00 0.60 C \nATOM 1785 O ALA A 116 11.064 12.670 22.064 1.00 -0.57 O \nATOM 1786 CB ALA A 116 13.928 14.253 21.473 1.00 -0.18 C \nATOM 1787 HA ALA A 116 12.779 14.076 23.272 1.00 0.08 H \nATOM 1788 HB1 ALA A 116 13.120 14.728 20.897 1.00 0.06 H \nATOM 1789 HB2 ALA A 116 14.570 15.030 21.912 1.00 0.06 H \nATOM 1790 HB3 ALA A 116 14.528 13.615 20.807 1.00 0.06 H \nATOM 1791 H ALA A 116 15.311 12.752 23.153 1.00 0.27 H \nATOM 1792 N GLY A 117 12.714 11.202 21.638 1.00 -0.42 N \nATOM 1793 CA GLY A 117 11.793 10.194 21.173 1.00 -0.03 C \nATOM 1794 C GLY A 117 10.896 9.638 22.271 1.00 0.60 C \nATOM 1795 O GLY A 117 9.671 9.459 22.105 1.00 -0.57 O \nATOM 1796 HA3 GLY A 117 11.156 10.637 20.394 1.00 0.07 H \nATOM 1797 HA2 GLY A 117 12.373 9.364 20.744 1.00 0.07 H \nATOM 1798 H GLY A 117 13.695 11.010 21.642 1.00 0.27 H \nATOM 1799 N VAL A 118 11.517 9.365 23.408 1.00 -0.42 N \nATOM 1800 CA VAL A 118 10.797 8.841 24.581 1.00 -0.09 C \nATOM 1801 C VAL A 118 9.808 9.860 25.140 1.00 0.60 C \nATOM 1802 O VAL A 118 8.675 9.477 25.439 1.00 -0.57 O \nATOM 1803 CB VAL A 118 11.760 8.296 25.688 1.00 0.30 C \nATOM 1804 CG1 VAL A 118 10.975 7.808 26.883 1.00 -0.32 C \nATOM 1805 CG2 VAL A 118 12.631 7.149 25.139 1.00 -0.32 C \nATOM 1806 HA VAL A 118 10.205 7.983 24.229 1.00 0.10 H \nATOM 1807 HB VAL A 118 12.419 9.115 26.010 1.00 -0.03 H \nATOM 1808 HG11 VAL A 118 10.290 7.007 26.569 1.00 0.08 H \nATOM 1809 HG12 VAL A 118 11.668 7.420 27.644 1.00 0.08 H \nATOM 1810 HG13 VAL A 118 10.395 8.642 27.306 1.00 0.08 H \nATOM 1811 HG21 VAL A 118 13.225 7.515 24.289 1.00 0.08 H \nATOM 1812 HG22 VAL A 118 13.305 6.790 25.930 1.00 0.08 H \nATOM 1813 HG23 VAL A 118 11.984 6.324 24.806 1.00 0.08 H \nATOM 1814 H VAL A 118 12.503 9.519 23.472 1.00 0.27 H \nATOM 1815 N VAL A 119 10.199 11.136 25.248 1.00 -0.42 N \nATOM 1816 CA VAL A 119 9.238 12.209 25.609 1.00 -0.09 C \nATOM 1817 C VAL A 119 8.021 12.184 24.675 1.00 0.60 C \nATOM 1818 O VAL A 119 6.886 12.313 25.144 1.00 -0.57 O \nATOM 1819 CB VAL A 119 9.868 13.654 25.613 1.00 0.30 C \nATOM 1820 CG1 VAL A 119 8.790 14.782 25.707 1.00 -0.32 C \nATOM 1821 CG2 VAL A 119 10.866 13.830 26.791 1.00 -0.32 C \nATOM 1822 HA VAL A 119 8.887 12.000 26.630 1.00 0.10 H \nATOM 1823 HB VAL A 119 10.417 13.781 24.668 1.00 -0.03 H \nATOM 1824 HG11 VAL A 119 8.208 14.657 26.632 1.00 0.08 H \nATOM 1825 HG12 VAL A 119 9.286 15.764 25.716 1.00 0.08 H \nATOM 1826 HG13 VAL A 119 8.117 14.719 24.839 1.00 0.08 H \nATOM 1827 HG21 VAL A 119 11.673 13.087 26.702 1.00 0.08 H \nATOM 1828 HG22 VAL A 119 11.295 14.842 26.760 1.00 0.08 H \nATOM 1829 HG23 VAL A 119 10.337 13.685 27.744 1.00 0.08 H \nATOM 1830 H VAL A 119 11.157 11.371 25.082 1.00 0.27 H \nATOM 1831 N TYR A 120 8.263 12.043 23.374 1.00 -0.42 N \nATOM 1832 CA TYR A 120 7.187 12.003 22.376 1.00 -0.00 C \nATOM 1833 C TYR A 120 6.203 10.856 22.659 1.00 0.60 C \nATOM 1834 O TYR A 120 4.972 11.083 22.814 1.00 -0.57 O \nATOM 1835 CB TYR A 120 7.727 11.966 20.928 1.00 -0.02 C \nATOM 1836 CG TYR A 120 6.599 11.738 19.944 1.00 -0.00 C \nATOM 1837 CD1 TYR A 120 5.758 12.788 19.530 1.00 -0.19 C \nATOM 1838 CD2 TYR A 120 6.330 10.450 19.483 1.00 -0.19 C \nATOM 1839 CE1 TYR A 120 4.675 12.523 18.662 1.00 -0.23 C \nATOM 1840 CE2 TYR A 120 5.288 10.185 18.632 1.00 -0.23 C \nATOM 1841 CZ TYR A 120 4.461 11.208 18.231 1.00 0.32 C \nATOM 1842 OH TYR A 120 3.459 10.845 17.386 1.00 -0.56 O \nATOM 1843 HA TYR A 120 6.622 12.941 22.478 1.00 0.09 H \nATOM 1844 HB3 TYR A 120 8.217 12.924 20.700 1.00 0.03 H \nATOM 1845 HB2 TYR A 120 8.458 11.149 20.836 1.00 0.03 H \nATOM 1846 HD2 TYR A 120 6.964 9.633 19.807 1.00 0.17 H \nATOM 1847 HE2 TYR A 120 5.117 9.175 18.277 1.00 0.17 H \nATOM 1848 HE1 TYR A 120 4.021 13.324 18.335 1.00 0.17 H \nATOM 1849 HD1 TYR A 120 5.941 13.799 19.877 1.00 0.17 H \nATOM 1850 HH TYR A 120 2.941 11.609 17.162 1.00 0.40 H \nATOM 1851 H TYR A 120 9.211 11.961 23.065 1.00 0.27 H \nATOM 1852 N LEU A 121 6.736 9.653 22.841 1.00 -0.42 N \nATOM 1853 CA LEU A 121 5.908 8.482 23.072 1.00 -0.05 C \nATOM 1854 C LEU A 121 5.080 8.630 24.322 1.00 0.60 C \nATOM 1855 O LEU A 121 3.849 8.445 24.305 1.00 -0.57 O \nATOM 1856 CB LEU A 121 6.733 7.194 23.115 1.00 -0.11 C \nATOM 1857 CG LEU A 121 7.501 6.806 21.835 1.00 0.35 C \nATOM 1858 CD1 LEU A 121 8.358 5.643 22.152 1.00 -0.41 C \nATOM 1859 CD2 LEU A 121 6.565 6.452 20.712 1.00 -0.41 C \nATOM 1860 HA LEU A 121 5.214 8.400 22.223 1.00 0.09 H \nATOM 1861 HB2 LEU A 121 7.471 7.300 23.924 1.00 0.05 H \nATOM 1862 HB3 LEU A 121 6.046 6.368 23.352 1.00 0.05 H \nATOM 1863 HG LEU A 121 8.129 7.652 21.520 1.00 -0.04 H \nATOM 1864 HD21 LEU A 121 5.917 7.312 20.490 1.00 0.10 H \nATOM 1865 HD22 LEU A 121 7.148 6.192 19.817 1.00 0.10 H \nATOM 1866 HD23 LEU A 121 5.945 5.593 21.008 1.00 0.10 H \nATOM 1867 HD11 LEU A 121 7.730 4.808 22.497 1.00 0.10 H \nATOM 1868 HD12 LEU A 121 8.911 5.338 21.251 1.00 0.10 H \nATOM 1869 HD13 LEU A 121 9.070 5.918 22.944 1.00 0.10 H \nATOM 1870 H LEU A 121 7.731 9.551 22.818 1.00 0.27 H \nATOM 1871 N HIS A 122 5.740 9.006 25.403 1.00 -0.42 N \nATOM 1872 CA HIS A 122 5.056 9.161 26.667 1.00 0.02 C \nATOM 1873 C HIS A 122 3.968 10.257 26.579 1.00 0.60 C \nATOM 1874 O HIS A 122 2.912 10.162 27.221 1.00 -0.57 O \nATOM 1875 CB HIS A 122 6.067 9.454 27.756 1.00 -0.05 C \nATOM 1876 CG HIS A 122 6.920 8.280 28.117 1.00 -0.03 C \nATOM 1877 ND1 HIS A 122 7.972 8.371 29.008 1.00 -0.38 N \nATOM 1878 CD2 HIS A 122 6.901 6.995 27.686 1.00 0.13 C \nATOM 1879 CE1 HIS A 122 8.538 7.178 29.130 1.00 0.21 C \nATOM 1880 NE2 HIS A 122 7.900 6.324 28.347 1.00 -0.57 N \nATOM 1881 HA HIS A 122 4.558 8.211 26.909 1.00 0.09 H \nATOM 1882 HB2 HIS A 122 6.723 10.267 27.411 1.00 0.04 H \nATOM 1883 HB3 HIS A 122 5.524 9.778 28.656 1.00 0.04 H \nATOM 1884 HD2 HIS A 122 6.218 6.572 26.950 1.00 0.11 H \nATOM 1885 HE1 HIS A 122 9.387 6.941 29.769 1.00 0.14 H \nATOM 1886 HD1 HIS A 122 8.269 9.227 29.498 1.00 0.36 H \nATOM 1887 H HIS A 122 6.722 9.185 25.346 1.00 0.27 H \nATOM 1888 N GLY A 123 4.256 11.307 25.828 1.00 -0.42 N \nATOM 1889 CA GLY A 123 3.318 12.403 25.636 1.00 -0.03 C \nATOM 1890 C GLY A 123 2.050 11.952 24.946 1.00 0.60 C \nATOM 1891 O GLY A 123 0.972 12.483 25.235 1.00 -0.57 O \nATOM 1892 HA3 GLY A 123 3.057 12.823 26.619 1.00 0.07 H \nATOM 1893 HA2 GLY A 123 3.799 13.178 25.022 1.00 0.07 H \nATOM 1894 H GLY A 123 5.148 11.349 25.377 1.00 0.27 H \nATOM 1895 N ILE A 124 2.145 10.950 24.070 1.00 -0.42 N \nATOM 1896 CA ILE A 124 0.942 10.356 23.483 1.00 -0.06 C \nATOM 1897 C ILE A 124 0.462 9.091 24.177 1.00 0.60 C \nATOM 1898 O ILE A 124 -0.435 8.429 23.669 1.00 -0.57 O \nATOM 1899 CB ILE A 124 1.088 10.143 21.949 1.00 0.13 C \nATOM 1900 CG1 ILE A 124 2.221 9.206 21.573 1.00 -0.04 C \nATOM 1901 CG2 ILE A 124 1.301 11.518 21.209 1.00 -0.32 C \nATOM 1902 CD1 ILE A 124 2.196 8.871 20.095 1.00 -0.07 C \nATOM 1903 HA ILE A 124 0.142 11.099 23.620 1.00 0.09 H \nATOM 1904 HB ILE A 124 0.149 9.697 21.588 1.00 0.02 H \nATOM 1905 HG12 ILE A 124 3.179 9.689 21.814 1.00 0.02 H \nATOM 1906 HG13 ILE A 124 2.123 8.276 22.152 1.00 0.02 H \nATOM 1907 HD11 ILE A 124 2.289 9.796 19.508 1.00 0.02 H \nATOM 1908 HD12 ILE A 124 3.035 8.200 19.857 1.00 0.02 H \nATOM 1909 HD13 ILE A 124 1.247 8.373 19.848 1.00 0.02 H \nATOM 1910 HG21 ILE A 124 2.208 12.005 21.595 1.00 0.09 H \nATOM 1911 HG22 ILE A 124 1.412 11.340 20.129 1.00 0.09 H \nATOM 1912 HG23 ILE A 124 0.432 12.168 21.386 1.00 0.09 H \nATOM 1913 H ILE A 124 3.046 10.601 23.812 1.00 0.27 H \nATOM 1914 N GLY A 125 1.021 8.765 25.340 1.00 -0.42 N \nATOM 1915 CA GLY A 125 0.507 7.689 26.166 1.00 -0.03 C \nATOM 1916 C GLY A 125 1.011 6.308 25.770 1.00 0.60 C \nATOM 1917 O GLY A 125 0.436 5.317 26.174 1.00 -0.57 O \nATOM 1918 HA3 GLY A 125 0.805 7.880 27.208 1.00 0.07 H \nATOM 1919 HA2 GLY A 125 -0.591 7.691 26.092 1.00 0.07 H \nATOM 1920 H GLY A 125 1.820 9.278 25.654 1.00 0.27 H \nATOM 1921 N ILE A 126 2.096 6.242 25.014 1.00 -0.42 N \nATOM 1922 CA ILE A 126 2.669 4.973 24.593 1.00 -0.06 C \nATOM 1923 C ILE A 126 3.975 4.699 25.341 1.00 0.60 C \nATOM 1924 O ILE A 126 4.837 5.578 25.463 1.00 -0.57 O \nATOM 1925 CB ILE A 126 2.932 4.990 23.091 1.00 0.13 C \nATOM 1926 CG1 ILE A 126 1.592 5.123 22.346 1.00 -0.04 C \nATOM 1927 CG2 ILE A 126 3.692 3.724 22.632 1.00 -0.32 C \nATOM 1928 CD1 ILE A 126 1.798 5.723 21.007 1.00 -0.07 C \nATOM 1929 HA ILE A 126 1.954 4.169 24.821 1.00 0.09 H \nATOM 1930 HB ILE A 126 3.553 5.867 22.856 1.00 0.02 H \nATOM 1931 HG12 ILE A 126 1.142 4.126 22.230 1.00 0.02 H \nATOM 1932 HG13 ILE A 126 0.916 5.765 22.930 1.00 0.02 H \nATOM 1933 HD11 ILE A 126 2.480 5.088 20.422 1.00 0.02 H \nATOM 1934 HD12 ILE A 126 0.832 5.800 20.487 1.00 0.02 H \nATOM 1935 HD13 ILE A 126 2.236 6.726 21.118 1.00 0.02 H \nATOM 1936 HG21 ILE A 126 3.099 2.831 22.879 1.00 0.09 H \nATOM 1937 HG22 ILE A 126 3.854 3.767 21.545 1.00 0.09 H \nATOM 1938 HG23 ILE A 126 4.663 3.673 23.146 1.00 0.09 H \nATOM 1939 H ILE A 126 2.536 7.092 24.723 1.00 0.27 H \nATOM 1940 N THR A 127 4.128 3.467 25.817 1.00 -0.42 N \nATOM 1941 CA THR A 127 5.392 3.036 26.352 1.00 -0.04 C \nATOM 1942 C THR A 127 5.955 1.990 25.421 1.00 0.60 C \nATOM 1943 O THR A 127 5.239 1.101 24.940 1.00 -0.57 O \nATOM 1944 CB THR A 127 5.273 2.563 27.828 1.00 0.37 C \nATOM 1945 OG1 THR A 127 6.492 1.915 28.248 1.00 -0.68 O \nATOM 1946 CG2 THR A 127 4.189 1.506 28.011 1.00 -0.24 C \nATOM 1947 HA THR A 127 6.078 3.896 26.345 1.00 0.10 H \nATOM 1948 HB THR A 127 5.062 3.434 28.466 1.00 0.00 H \nATOM 1949 HG1 THR A 127 6.405 1.632 29.151 1.00 0.41 H \nATOM 1950 HG23 THR A 127 3.272 1.983 28.386 1.00 0.06 H \nATOM 1951 HG21 THR A 127 3.982 1.022 27.045 1.00 0.06 H \nATOM 1952 HG22 THR A 127 4.532 0.751 28.733 1.00 0.06 H \nATOM 1953 H THR A 127 3.355 2.832 25.803 1.00 0.27 H \nATOM 1954 N HIS A 128 7.247 2.117 25.135 1.00 -0.42 N \nATOM 1955 CA HIS A 128 7.911 1.177 24.226 1.00 0.02 C \nATOM 1956 C HIS A 128 8.141 -0.219 24.862 1.00 0.60 C \nATOM 1957 O HIS A 128 7.911 -1.246 24.214 1.00 -0.57 O \nATOM 1958 CB HIS A 128 9.221 1.771 23.783 1.00 -0.05 C \nATOM 1959 CG HIS A 128 9.959 0.924 22.810 1.00 -0.03 C \nATOM 1960 ND1 HIS A 128 10.705 -0.172 23.198 1.00 -0.38 N \nATOM 1961 CD2 HIS A 128 10.066 1.005 21.465 1.00 0.13 C \nATOM 1962 CE1 HIS A 128 11.246 -0.726 22.124 1.00 0.21 C \nATOM 1963 NE2 HIS A 128 10.878 -0.032 21.061 1.00 -0.57 N \nATOM 1964 HA HIS A 128 7.269 1.043 23.343 1.00 0.09 H \nATOM 1965 HB2 HIS A 128 9.020 2.745 23.314 1.00 0.04 H \nATOM 1966 HB3 HIS A 128 9.855 1.915 24.670 1.00 0.04 H \nATOM 1967 HD2 HIS A 128 9.599 1.749 20.822 1.00 0.11 H \nATOM 1968 HE1 HIS A 128 11.887 -1.606 22.118 1.00 0.14 H \nATOM 1969 HD1 HIS A 128 10.821 -0.504 24.166 1.00 0.36 H \nATOM 1970 H HIS A 128 7.773 2.863 25.545 1.00 0.27 H \nATOM 1971 N ARG A 129 8.602 -0.222 26.107 1.00 -0.35 N \nATOM 1972 CA ARG A 129 8.814 -1.396 26.984 1.00 -0.26 C \nATOM 1973 C ARG A 129 9.968 -2.332 26.614 1.00 0.73 C \nATOM 1974 O ARG A 129 10.128 -3.383 27.233 1.00 -0.59 O \nATOM 1975 CB ARG A 129 7.548 -2.249 27.095 1.00 -0.00 C \nATOM 1976 CG ARG A 129 6.292 -1.524 27.517 1.00 0.04 C \nATOM 1977 CD ARG A 129 5.284 -2.456 28.209 1.00 0.05 C \nATOM 1978 NE ARG A 129 4.555 -3.225 27.217 1.00 -0.53 N \nATOM 1979 CZ ARG A 129 3.544 -4.055 27.480 1.00 0.81 C \nATOM 1980 NH1 ARG A 129 3.119 -4.246 28.735 1.00 -0.86 N \nATOM 1981 NH2 ARG A 129 2.962 -4.692 26.467 1.00 -0.86 N \nATOM 1982 HA ARG A 129 9.039 -0.993 27.983 1.00 0.16 H \nATOM 1983 HB2 ARG A 129 7.360 -2.701 26.110 1.00 0.03 H \nATOM 1984 HB3 ARG A 129 7.741 -3.043 27.832 1.00 0.03 H \nATOM 1985 HG2 ARG A 129 6.566 -0.719 28.215 1.00 0.03 H \nATOM 1986 HG3 ARG A 129 5.817 -1.090 26.625 1.00 0.03 H \nATOM 1987 HD2 ARG A 129 5.823 -3.143 28.878 1.00 0.07 H \nATOM 1988 HD3 ARG A 129 4.575 -1.854 28.796 1.00 0.07 H \nATOM 1989 HE ARG A 129 4.841 -3.122 26.233 1.00 0.35 H \nATOM 1990 HH12 ARG A 129 2.337 -4.890 28.922 1.00 0.45 H \nATOM 1991 HH11 ARG A 129 3.574 -3.749 29.514 1.00 0.45 H \nATOM 1992 HH22 ARG A 129 2.180 -5.338 26.646 1.00 0.45 H \nATOM 1993 HH21 ARG A 129 3.294 -4.539 25.504 1.00 0.45 H \nATOM 1994 H ARG A 129 8.832 0.670 26.497 1.00 0.27 H \nATOM 1995 N ASP A 130 10.739 -1.993 25.605 1.00 -0.52 N \nATOM 1996 CA ASP A 130 11.946 -2.785 25.296 1.00 0.04 C \nATOM 1997 C ASP A 130 13.094 -1.955 24.705 1.00 0.54 C \nATOM 1998 O ASP A 130 13.741 -2.319 23.705 1.00 -0.58 O \nATOM 1999 CB ASP A 130 11.548 -3.985 24.429 1.00 -0.03 C \nATOM 2000 CG ASP A 130 12.615 -5.073 24.402 1.00 0.80 C \nATOM 2001 OD1 ASP A 130 12.661 -5.818 23.394 1.00 -0.80 O \nATOM 2002 OD2 ASP A 130 13.439 -5.243 25.323 1.00 -0.80 O \nATOM 2003 HA ASP A 130 12.319 -3.187 26.249 1.00 0.09 H \nATOM 2004 HB2 ASP A 130 10.618 -4.415 24.829 1.00 -0.01 H \nATOM 2005 HB3 ASP A 130 11.377 -3.634 23.400 1.00 -0.01 H \nATOM 2006 H ASP A 130 10.508 -1.197 25.046 1.00 0.29 H \nATOM 2007 N ILE A 131 13.369 -0.818 25.331 1.00 -0.42 N \nATOM 2008 CA ILE A 131 14.441 0.045 24.850 1.00 -0.06 C \nATOM 2009 C ILE A 131 15.825 -0.588 25.077 1.00 0.60 C \nATOM 2010 O ILE A 131 16.142 -0.984 26.167 1.00 -0.57 O \nATOM 2011 CB ILE A 131 14.370 1.433 25.528 1.00 0.13 C \nATOM 2012 CG1 ILE A 131 13.050 2.128 25.145 1.00 -0.04 C \nATOM 2013 CG2 ILE A 131 15.625 2.274 25.165 1.00 -0.32 C \nATOM 2014 CD1 ILE A 131 12.689 3.309 26.021 1.00 -0.07 C \nATOM 2015 HA ILE A 131 14.304 0.184 23.767 1.00 0.09 H \nATOM 2016 HB ILE A 131 14.369 1.287 26.618 1.00 0.02 H \nATOM 2017 HG12 ILE A 131 13.136 2.483 24.107 1.00 0.02 H \nATOM 2018 HG13 ILE A 131 12.239 1.388 25.213 1.00 0.02 H \nATOM 2019 HD11 ILE A 131 13.487 4.064 25.965 1.00 0.02 H \nATOM 2020 HD12 ILE A 131 11.743 3.749 25.672 1.00 0.02 H \nATOM 2021 HD13 ILE A 131 12.575 2.972 27.062 1.00 0.02 H \nATOM 2022 HG21 ILE A 131 15.679 2.400 24.074 1.00 0.09 H \nATOM 2023 HG22 ILE A 131 15.556 3.261 25.645 1.00 0.09 H \nATOM 2024 HG23 ILE A 131 16.528 1.756 25.519 1.00 0.09 H \nATOM 2025 H ILE A 131 12.839 -0.552 26.136 1.00 0.27 H \nATOM 2026 N LYS A 132 16.618 -0.713 24.013 1.00 -0.35 N \nATOM 2027 CA LYS A 132 17.946 -1.277 24.116 1.00 -0.24 C \nATOM 2028 C LYS A 132 18.636 -0.942 22.797 1.00 0.73 C \nATOM 2029 O LYS A 132 17.970 -0.552 21.828 1.00 -0.59 O \nATOM 2030 CB LYS A 132 17.912 -2.805 24.349 1.00 -0.01 C \nATOM 2031 CG LYS A 132 17.087 -3.595 23.334 1.00 0.02 C \nATOM 2032 CD LYS A 132 17.097 -5.082 23.703 1.00 -0.05 C \nATOM 2033 CE LYS A 132 16.238 -5.947 22.713 1.00 -0.01 C \nATOM 2034 NZ LYS A 132 16.243 -7.407 23.174 1.00 -0.39 N \nATOM 2035 HA LYS A 132 18.485 -0.806 24.951 1.00 0.14 H \nATOM 2036 HB2 LYS A 132 18.946 -3.179 24.313 1.00 0.04 H \nATOM 2037 HB3 LYS A 132 17.490 -2.988 25.348 1.00 0.04 H \nATOM 2038 HG2 LYS A 132 16.051 -3.225 23.338 1.00 0.01 H \nATOM 2039 HG3 LYS A 132 17.519 -3.465 22.331 1.00 0.01 H \nATOM 2040 HD2 LYS A 132 18.135 -5.445 23.681 1.00 0.06 H \nATOM 2041 HD3 LYS A 132 16.690 -5.197 24.718 1.00 0.06 H \nATOM 2042 HE2 LYS A 132 15.205 -5.570 22.699 1.00 0.11 H \nATOM 2043 HE3 LYS A 132 16.666 -5.880 21.702 1.00 0.11 H \nATOM 2044 HZ1 LYS A 132 15.860 -7.467 24.104 1.00 0.34 H \nATOM 2045 HZ2 LYS A 132 15.684 -7.960 22.544 1.00 0.34 H \nATOM 2046 HZ3 LYS A 132 17.189 -7.755 23.177 1.00 0.34 H \nATOM 2047 H LYS A 132 16.286 -0.409 23.120 1.00 0.27 H \nATOM 2048 N PRO A 133 19.957 -1.032 22.753 1.00 -0.25 N \nATOM 2049 CA PRO A 133 20.694 -0.512 21.576 1.00 -0.03 C \nATOM 2050 C PRO A 133 20.342 -1.204 20.246 1.00 0.59 C \nATOM 2051 O PRO A 133 20.469 -0.586 19.173 1.00 -0.57 O \nATOM 2052 CB PRO A 133 22.151 -0.718 21.963 1.00 -0.01 C \nATOM 2053 CG PRO A 133 22.157 -0.736 23.495 1.00 0.02 C \nATOM 2054 CD PRO A 133 20.865 -1.508 23.810 1.00 0.02 C \nATOM 2055 HA PRO A 133 20.486 0.562 21.459 1.00 0.06 H \nATOM 2056 HD3 PRO A 133 20.482 -1.255 24.810 1.00 0.04 H \nATOM 2057 HD2 PRO A 133 21.022 -2.595 23.742 1.00 0.04 H \nATOM 2058 HG3 PRO A 133 22.124 0.283 23.907 1.00 0.02 H \nATOM 2059 HG2 PRO A 133 23.042 -1.261 23.885 1.00 0.02 H \nATOM 2060 HB2 PRO A 133 22.526 -1.672 21.564 1.00 0.03 H \nATOM 2061 HB3 PRO A 133 22.772 0.107 21.584 1.00 0.03 H \nATOM 2062 N GLU A 134 19.907 -2.471 20.324 1.00 -0.52 N \nATOM 2063 CA GLU A 134 19.407 -3.225 19.175 1.00 0.04 C \nATOM 2064 C GLU A 134 18.168 -2.627 18.521 1.00 0.54 C \nATOM 2065 O GLU A 134 17.944 -2.790 17.305 1.00 -0.58 O \nATOM 2066 CB GLU A 134 19.123 -4.689 19.585 1.00 0.06 C \nATOM 2067 CG GLU A 134 20.350 -5.392 20.109 1.00 0.01 C \nATOM 2068 CD GLU A 134 20.511 -5.380 21.627 1.00 0.81 C \nATOM 2069 OE1 GLU A 134 20.200 -4.355 22.302 1.00 -0.82 O \nATOM 2070 OE2 GLU A 134 21.013 -6.408 22.143 1.00 -0.82 O \nATOM 2071 HA GLU A 134 20.205 -3.230 18.418 1.00 0.11 H \nATOM 2072 HB2 GLU A 134 18.353 -4.692 20.370 1.00 -0.02 H \nATOM 2073 HB3 GLU A 134 18.752 -5.236 18.705 1.00 -0.02 H \nATOM 2074 HG2 GLU A 134 20.307 -6.441 19.780 1.00 -0.04 H \nATOM 2075 HG3 GLU A 134 21.234 -4.906 19.670 1.00 -0.04 H \nATOM 2076 H GLU A 134 19.926 -2.924 21.215 1.00 0.29 H \nATOM 2077 N ASN A 135 17.363 -1.925 19.305 1.00 -0.42 N \nATOM 2078 CA ASN A 135 16.134 -1.314 18.816 1.00 0.01 C \nATOM 2079 C ASN A 135 16.274 0.159 18.576 1.00 0.60 C \nATOM 2080 O ASN A 135 15.299 0.795 18.272 1.00 -0.57 O \nATOM 2081 CB ASN A 135 14.984 -1.552 19.816 1.00 -0.20 C \nATOM 2082 CG ASN A 135 14.592 -2.993 19.881 1.00 0.71 C \nATOM 2083 OD1 ASN A 135 14.727 -3.737 18.880 1.00 -0.59 O \nATOM 2084 ND2 ASN A 135 14.069 -3.407 21.008 1.00 -0.92 N \nATOM 2085 HA ASN A 135 15.875 -1.794 17.861 1.00 0.10 H \nATOM 2086 HB2 ASN A 135 15.308 -1.226 20.815 1.00 0.08 H \nATOM 2087 HB3 ASN A 135 14.112 -0.960 19.502 1.00 0.08 H \nATOM 2088 HD22 ASN A 135 13.788 -4.362 21.108 1.00 0.42 H \nATOM 2089 HD21 ASN A 135 13.950 -2.769 21.769 1.00 0.42 H \nATOM 2090 H ASN A 135 17.608 -1.810 20.268 1.00 0.27 H \nATOM 2091 N LEU A 136 17.463 0.713 18.734 1.00 -0.42 N \nATOM 2092 CA LEU A 136 17.692 2.137 18.464 1.00 -0.05 C \nATOM 2093 C LEU A 136 18.541 2.163 17.184 1.00 0.60 C \nATOM 2094 O LEU A 136 19.696 1.780 17.197 1.00 -0.57 O \nATOM 2095 CB LEU A 136 18.397 2.807 19.633 1.00 -0.11 C \nATOM 2096 CG LEU A 136 17.591 2.704 20.936 1.00 0.35 C \nATOM 2097 CD1 LEU A 136 18.403 3.185 22.097 1.00 -0.41 C \nATOM 2098 CD2 LEU A 136 16.228 3.451 20.855 1.00 -0.41 C \nATOM 2099 HA LEU A 136 16.734 2.649 18.289 1.00 0.09 H \nATOM 2100 HB2 LEU A 136 19.373 2.323 19.782 1.00 0.05 H \nATOM 2101 HB3 LEU A 136 18.547 3.870 19.393 1.00 0.05 H \nATOM 2102 HG LEU A 136 17.370 1.639 21.102 1.00 -0.04 H \nATOM 2103 HD21 LEU A 136 15.625 3.026 20.040 1.00 0.10 H \nATOM 2104 HD22 LEU A 136 15.690 3.336 21.808 1.00 0.10 H \nATOM 2105 HD23 LEU A 136 16.406 4.519 20.661 1.00 0.10 H \nATOM 2106 HD11 LEU A 136 18.696 4.232 21.931 1.00 0.10 H \nATOM 2107 HD12 LEU A 136 17.805 3.113 23.018 1.00 0.10 H \nATOM 2108 HD13 LEU A 136 19.305 2.564 22.196 1.00 0.10 H \nATOM 2109 H LEU A 136 18.226 0.147 19.046 1.00 0.27 H \nATOM 2110 N LEU A 137 17.900 2.520 16.083 1.00 -0.42 N \nATOM 2111 CA LEU A 137 18.519 2.561 14.776 1.00 -0.05 C \nATOM 2112 C LEU A 137 18.982 3.979 14.445 1.00 0.60 C \nATOM 2113 O LEU A 137 18.600 4.974 15.084 1.00 -0.57 O \nATOM 2114 CB LEU A 137 17.560 2.068 13.688 1.00 -0.11 C \nATOM 2115 CG LEU A 137 16.876 0.743 14.026 1.00 0.35 C \nATOM 2116 CD1 LEU A 137 15.957 0.329 12.908 1.00 -0.41 C \nATOM 2117 CD2 LEU A 137 17.868 -0.337 14.394 1.00 -0.41 C \nATOM 2118 HA LEU A 137 19.398 1.900 14.791 1.00 0.09 H \nATOM 2119 HB2 LEU A 137 16.783 2.832 13.538 1.00 0.05 H \nATOM 2120 HB3 LEU A 137 18.130 1.937 12.756 1.00 0.05 H \nATOM 2121 HG LEU A 137 16.250 0.916 14.914 1.00 -0.04 H \nATOM 2122 HD21 LEU A 137 18.454 -0.014 15.267 1.00 0.10 H \nATOM 2123 HD22 LEU A 137 17.328 -1.264 14.638 1.00 0.10 H \nATOM 2124 HD23 LEU A 137 18.544 -0.519 13.545 1.00 0.10 H \nATOM 2125 HD11 LEU A 137 16.536 0.217 11.980 1.00 0.10 H \nATOM 2126 HD12 LEU A 137 15.481 -0.630 13.161 1.00 0.10 H \nATOM 2127 HD13 LEU A 137 15.182 1.097 12.767 1.00 0.10 H \nATOM 2128 H LEU A 137 16.936 2.775 16.158 1.00 0.27 H \nATOM 2129 N LEU A 138 19.795 4.035 13.400 1.00 -0.42 N \nATOM 2130 CA LEU A 138 20.550 5.206 13.053 1.00 -0.05 C \nATOM 2131 C LEU A 138 20.292 5.444 11.546 1.00 0.60 C \nATOM 2132 O LEU A 138 20.395 4.509 10.734 1.00 -0.57 O \nATOM 2133 CB LEU A 138 22.016 4.891 13.310 1.00 -0.11 C \nATOM 2134 CG LEU A 138 22.776 5.375 14.555 1.00 0.35 C \nATOM 2135 CD1 LEU A 138 21.932 5.927 15.716 1.00 -0.41 C \nATOM 2136 CD2 LEU A 138 23.742 4.378 15.038 1.00 -0.41 C \nATOM 2137 HA LEU A 138 20.235 6.078 13.644 1.00 0.09 H \nATOM 2138 HB2 LEU A 138 22.092 3.794 13.317 1.00 0.05 H \nATOM 2139 HB3 LEU A 138 22.567 5.291 12.446 1.00 0.05 H \nATOM 2140 HG LEU A 138 23.373 6.230 14.205 1.00 -0.04 H \nATOM 2141 HD21 LEU A 138 24.472 4.161 14.245 1.00 0.10 H \nATOM 2142 HD22 LEU A 138 24.266 4.773 15.921 1.00 0.10 H \nATOM 2143 HD23 LEU A 138 23.210 3.454 15.310 1.00 0.10 H \nATOM 2144 HD11 LEU A 138 21.238 5.149 16.067 1.00 0.10 H \nATOM 2145 HD12 LEU A 138 22.595 6.226 16.541 1.00 0.10 H \nATOM 2146 HD13 LEU A 138 21.360 6.800 15.370 1.00 0.10 H \nATOM 2147 H LEU A 138 19.887 3.222 12.825 1.00 0.27 H \nATOM 2148 N ASP A 139 19.945 6.670 11.180 1.00 -0.52 N \nATOM 2149 CA ASP A 139 19.746 6.992 9.766 1.00 0.04 C \nATOM 2150 C ASP A 139 21.076 7.391 9.166 1.00 0.54 C \nATOM 2151 O ASP A 139 22.116 7.264 9.813 1.00 -0.58 O \nATOM 2152 CB ASP A 139 18.648 8.046 9.576 1.00 -0.03 C \nATOM 2153 CG ASP A 139 19.076 9.433 9.958 1.00 0.80 C \nATOM 2154 OD1 ASP A 139 18.202 10.308 9.862 1.00 -0.80 O \nATOM 2155 OD2 ASP A 139 20.233 9.755 10.358 1.00 -0.80 O \nATOM 2156 HA ASP A 139 19.410 6.079 9.253 1.00 0.09 H \nATOM 2157 HB2 ASP A 139 18.351 8.053 8.517 1.00 -0.01 H \nATOM 2158 HB3 ASP A 139 17.785 7.765 10.197 1.00 -0.01 H \nATOM 2159 H ASP A 139 19.818 7.379 11.874 1.00 0.29 H \nATOM 2160 N GLU A 140 21.038 7.805 7.902 1.00 -0.52 N \nATOM 2161 CA GLU A 140 22.222 8.189 7.143 1.00 0.04 C \nATOM 2162 C GLU A 140 22.989 9.351 7.781 1.00 0.54 C \nATOM 2163 O GLU A 140 24.196 9.437 7.671 1.00 -0.58 O \nATOM 2164 CB GLU A 140 21.834 8.497 5.667 1.00 0.06 C \nATOM 2165 CG GLU A 140 21.080 9.812 5.435 1.00 0.01 C \nATOM 2166 CD GLU A 140 19.620 9.794 5.873 1.00 0.81 C \nATOM 2167 OE1 GLU A 140 19.039 8.692 6.052 1.00 -0.82 O \nATOM 2168 OE2 GLU A 140 19.042 10.906 6.041 1.00 -0.82 O \nATOM 2169 HA GLU A 140 22.900 7.323 7.134 1.00 0.11 H \nATOM 2170 HB2 GLU A 140 22.760 8.530 5.075 1.00 -0.02 H \nATOM 2171 HB3 GLU A 140 21.198 7.675 5.307 1.00 -0.02 H \nATOM 2172 HG2 GLU A 140 21.596 10.606 5.994 1.00 -0.04 H \nATOM 2173 HG3 GLU A 140 21.112 10.041 4.360 1.00 -0.04 H \nATOM 2174 H GLU A 140 20.149 7.856 7.448 1.00 0.29 H \nATOM 2175 N ARG A 141 22.291 10.227 8.498 1.00 -0.35 N \nATOM 2176 CA ARG A 141 22.954 11.303 9.257 1.00 -0.26 C \nATOM 2177 C ARG A 141 23.319 10.941 10.742 1.00 0.73 C \nATOM 2178 O ARG A 141 23.657 11.823 11.537 1.00 -0.59 O \nATOM 2179 CB ARG A 141 22.064 12.536 9.193 1.00 -0.00 C \nATOM 2180 CG ARG A 141 22.125 13.294 7.828 1.00 0.04 C \nATOM 2181 CD ARG A 141 22.025 14.847 7.952 1.00 0.05 C \nATOM 2182 NE ARG A 141 22.777 15.353 9.119 1.00 -0.53 N \nATOM 2183 CZ ARG A 141 22.259 15.691 10.320 1.00 0.81 C \nATOM 2184 NH1 ARG A 141 20.948 15.610 10.577 1.00 -0.86 N \nATOM 2185 NH2 ARG A 141 23.081 16.114 11.284 1.00 -0.86 N \nATOM 2186 HA ARG A 141 23.899 11.534 8.744 1.00 0.16 H \nATOM 2187 HB2 ARG A 141 21.024 12.222 9.368 1.00 0.03 H \nATOM 2188 HB3 ARG A 141 22.376 13.229 9.988 1.00 0.03 H \nATOM 2189 HG2 ARG A 141 23.079 13.048 7.339 1.00 0.03 H \nATOM 2190 HG3 ARG A 141 21.291 12.944 7.202 1.00 0.03 H \nATOM 2191 HD2 ARG A 141 22.434 15.304 7.039 1.00 0.07 H \nATOM 2192 HD3 ARG A 141 20.967 15.128 8.061 1.00 0.07 H \nATOM 2193 HE ARG A 141 23.795 15.458 9.006 1.00 0.35 H \nATOM 2194 HH12 ARG A 141 20.588 15.876 11.504 1.00 0.45 H \nATOM 2195 HH11 ARG A 141 20.299 15.282 9.847 1.00 0.45 H \nATOM 2196 HH22 ARG A 141 22.702 16.376 12.205 1.00 0.45 H \nATOM 2197 HH21 ARG A 141 24.093 16.179 11.106 1.00 0.45 H \nATOM 2198 H ARG A 141 21.294 10.154 8.523 1.00 0.27 H \nATOM 2199 N ASP A 142 23.298 9.647 11.088 1.00 -0.52 N \nATOM 2200 CA ASP A 142 23.405 9.173 12.483 1.00 0.04 C \nATOM 2201 C ASP A 142 22.374 9.749 13.460 1.00 0.54 C \nATOM 2202 O ASP A 142 22.653 9.857 14.652 1.00 -0.58 O \nATOM 2203 CB ASP A 142 24.782 9.449 13.111 1.00 -0.03 C \nATOM 2204 CG ASP A 142 25.857 8.568 12.601 1.00 0.80 C \nATOM 2205 OD1 ASP A 142 25.580 7.539 11.966 1.00 -0.80 O \nATOM 2206 OD2 ASP A 142 27.057 8.870 12.787 1.00 -0.80 O \nATOM 2207 HA ASP A 142 23.257 8.083 12.449 1.00 0.09 H \nATOM 2208 HB2 ASP A 142 25.058 10.492 12.898 1.00 -0.01 H \nATOM 2209 HB3 ASP A 142 24.703 9.306 14.199 1.00 -0.01 H \nATOM 2210 H ASP A 142 23.205 8.965 10.363 1.00 0.29 H \nATOM 2211 N ASN A 143 21.203 10.109 12.976 1.00 -0.42 N \nATOM 2212 CA ASN A 143 20.096 10.406 13.848 1.00 0.01 C \nATOM 2213 C ASN A 143 19.497 9.107 14.373 1.00 0.60 C \nATOM 2214 O ASN A 143 19.294 8.171 13.626 1.00 -0.57 O \nATOM 2215 CB ASN A 143 19.043 11.249 13.157 1.00 -0.20 C \nATOM 2216 CG ASN A 143 19.553 12.639 12.828 1.00 0.71 C \nATOM 2217 OD1 ASN A 143 20.040 13.335 13.704 1.00 -0.59 O \nATOM 2218 ND2 ASN A 143 19.439 13.044 11.563 1.00 -0.92 N \nATOM 2219 HA ASN A 143 20.479 10.980 14.704 1.00 0.10 H \nATOM 2220 HB2 ASN A 143 18.745 10.750 12.223 1.00 0.08 H \nATOM 2221 HB3 ASN A 143 18.169 11.339 13.819 1.00 0.08 H \nATOM 2222 HD22 ASN A 143 19.761 13.953 11.298 1.00 0.42 H \nATOM 2223 HD21 ASN A 143 19.031 12.439 10.879 1.00 0.42 H \nATOM 2224 H ASN A 143 21.081 10.177 11.986 1.00 0.27 H \nATOM 2225 N LEU A 144 19.276 9.076 15.685 1.00 -0.42 N \nATOM 2226 CA LEU A 144 18.703 7.937 16.379 1.00 -0.05 C \nATOM 2227 C LEU A 144 17.171 7.889 16.206 1.00 0.60 C \nATOM 2228 O LEU A 144 16.492 8.914 16.292 1.00 -0.57 O \nATOM 2229 CB LEU A 144 19.113 7.989 17.875 1.00 -0.11 C \nATOM 2230 CG LEU A 144 18.510 6.980 18.853 1.00 0.35 C \nATOM 2231 CD1 LEU A 144 19.488 6.790 20.009 1.00 -0.41 C \nATOM 2232 CD2 LEU A 144 17.173 7.455 19.373 1.00 -0.41 C \nATOM 2233 HA LEU A 144 19.120 7.019 15.940 1.00 0.09 H \nATOM 2234 HB2 LEU A 144 20.205 7.859 17.913 1.00 0.05 H \nATOM 2235 HB3 LEU A 144 18.850 8.991 18.245 1.00 0.05 H \nATOM 2236 HG LEU A 144 18.367 6.019 18.336 1.00 -0.04 H \nATOM 2237 HD21 LEU A 144 16.481 7.596 18.530 1.00 0.10 H \nATOM 2238 HD22 LEU A 144 16.761 6.705 20.064 1.00 0.10 H \nATOM 2239 HD23 LEU A 144 17.304 8.410 19.903 1.00 0.10 H \nATOM 2240 HD11 LEU A 144 19.659 7.756 20.507 1.00 0.10 H \nATOM 2241 HD12 LEU A 144 19.068 6.074 20.731 1.00 0.10 H \nATOM 2242 HD13 LEU A 144 20.442 6.403 19.622 1.00 0.10 H \nATOM 2243 H LEU A 144 19.518 9.883 16.223 1.00 0.27 H \nATOM 2244 N LYS A 145 16.662 6.700 15.918 1.00 -0.35 N \nATOM 2245 CA LYS A 145 15.249 6.444 15.748 1.00 -0.24 C \nATOM 2246 C LYS A 145 14.856 5.202 16.544 1.00 0.73 C \nATOM 2247 O LYS A 145 15.445 4.120 16.391 1.00 -0.59 O \nATOM 2248 CB LYS A 145 14.922 6.251 14.264 1.00 -0.01 C \nATOM 2249 CG LYS A 145 15.691 7.219 13.316 1.00 0.02 C \nATOM 2250 CD LYS A 145 14.771 8.002 12.498 1.00 -0.05 C \nATOM 2251 CE LYS A 145 15.403 9.189 11.784 1.00 -0.01 C \nATOM 2252 NZ LYS A 145 14.178 9.901 11.277 1.00 -0.39 N \nATOM 2253 HA LYS A 145 14.681 7.306 16.127 1.00 0.14 H \nATOM 2254 HB2 LYS A 145 15.177 5.218 13.985 1.00 0.04 H \nATOM 2255 HB3 LYS A 145 13.843 6.413 14.123 1.00 0.04 H \nATOM 2256 HG2 LYS A 145 16.303 7.903 13.922 1.00 0.01 H \nATOM 2257 HG3 LYS A 145 16.345 6.630 12.656 1.00 0.01 H \nATOM 2258 HD2 LYS A 145 14.338 7.336 11.737 1.00 0.06 H \nATOM 2259 HD3 LYS A 145 13.971 8.382 13.151 1.00 0.06 H \nATOM 2260 HE2 LYS A 145 15.979 9.819 12.478 1.00 0.11 H \nATOM 2261 HE3 LYS A 145 16.053 8.865 10.958 1.00 0.11 H \nATOM 2262 HZ1 LYS A 145 13.590 10.155 12.056 1.00 0.34 H \nATOM 2263 HZ2 LYS A 145 14.455 10.733 10.780 1.00 0.34 H \nATOM 2264 HZ3 LYS A 145 13.668 9.292 10.656 1.00 0.34 H \nATOM 2265 H LYS A 145 17.294 5.932 15.812 1.00 0.27 H \nATOM 2266 N ILE A 146 13.822 5.344 17.357 1.00 -0.42 N \nATOM 2267 CA ILE A 146 13.303 4.237 18.152 1.00 -0.06 C \nATOM 2268 C ILE A 146 12.477 3.332 17.211 1.00 0.60 C \nATOM 2269 O ILE A 146 11.620 3.819 16.466 1.00 -0.57 O \nATOM 2270 CB ILE A 146 12.404 4.754 19.345 1.00 0.13 C \nATOM 2271 CG1 ILE A 146 13.213 5.651 20.271 1.00 -0.04 C \nATOM 2272 CG2 ILE A 146 11.821 3.571 20.095 1.00 -0.32 C \nATOM 2273 CD1 ILE A 146 12.404 6.392 21.354 1.00 -0.07 C \nATOM 2274 HA ILE A 146 14.145 3.663 18.567 1.00 0.09 H \nATOM 2275 HB ILE A 146 11.575 5.345 18.929 1.00 0.02 H \nATOM 2276 HG12 ILE A 146 13.963 5.026 20.777 1.00 0.02 H \nATOM 2277 HG13 ILE A 146 13.721 6.406 19.653 1.00 0.02 H \nATOM 2278 HD11 ILE A 146 11.889 5.659 21.992 1.00 0.02 H \nATOM 2279 HD12 ILE A 146 13.085 6.999 21.969 1.00 0.02 H \nATOM 2280 HD13 ILE A 146 11.662 7.046 20.874 1.00 0.02 H \nATOM 2281 HG21 ILE A 146 12.638 2.946 20.486 1.00 0.09 H \nATOM 2282 HG22 ILE A 146 11.204 3.934 20.930 1.00 0.09 H \nATOM 2283 HG23 ILE A 146 11.198 2.975 19.412 1.00 0.09 H \nATOM 2284 H ILE A 146 13.382 6.239 17.429 1.00 0.27 H \nATOM 2285 N SER A 147 12.731 2.036 17.292 1.00 -0.42 N \nATOM 2286 CA SER A 147 12.144 1.036 16.421 1.00 -0.02 C \nATOM 2287 C SER A 147 11.568 -0.122 17.224 1.00 0.60 C \nATOM 2288 O SER A 147 11.957 -0.379 18.398 1.00 -0.57 O \nATOM 2289 CB SER A 147 13.185 0.461 15.426 1.00 0.21 C \nATOM 2290 OG SER A 147 14.050 -0.469 16.069 1.00 -0.65 O \nATOM 2291 HA SER A 147 11.333 1.512 15.850 1.00 0.08 H \nATOM 2292 HB2 SER A 147 12.656 -0.048 14.607 1.00 0.04 H \nATOM 2293 HB3 SER A 147 13.786 1.287 15.017 1.00 0.04 H \nATOM 2294 HG SER A 147 14.677 -0.806 15.440 1.00 0.43 H \nATOM 2295 H SER A 147 13.368 1.727 17.998 1.00 0.27 H \nATOM 2296 N ASP A 148 10.671 -0.831 16.543 1.00 -0.52 N \nATOM 2297 CA ASP A 148 10.046 -2.059 17.025 1.00 0.04 C \nATOM 2298 C ASP A 148 9.003 -1.798 18.106 1.00 0.54 C \nATOM 2299 O ASP A 148 9.302 -1.806 19.295 1.00 -0.58 O \nATOM 2300 CB ASP A 148 11.088 -3.085 17.493 1.00 -0.03 C \nATOM 2301 CG ASP A 148 10.490 -4.505 17.675 1.00 0.80 C \nATOM 2302 OD1 ASP A 148 11.276 -5.483 17.826 1.00 -0.80 O \nATOM 2303 OD2 ASP A 148 9.259 -4.727 17.715 1.00 -0.80 O \nATOM 2304 HA ASP A 148 9.516 -2.504 16.170 1.00 0.09 H \nATOM 2305 HB2 ASP A 148 11.893 -3.135 16.745 1.00 -0.01 H \nATOM 2306 HB3 ASP A 148 11.502 -2.752 18.456 1.00 -0.01 H \nATOM 2307 H ASP A 148 10.407 -0.499 15.637 1.00 0.29 H \nATOM 2308 N PHE A 149 7.753 -1.666 17.698 1.00 -0.42 N \nATOM 2309 CA PHE A 149 6.692 -1.395 18.651 1.00 -0.00 C \nATOM 2310 C PHE A 149 5.887 -2.630 18.965 1.00 0.60 C \nATOM 2311 O PHE A 149 4.764 -2.572 19.473 1.00 -0.57 O \nATOM 2312 CB PHE A 149 5.890 -0.229 18.148 1.00 -0.03 C \nATOM 2313 CG PHE A 149 6.650 1.055 18.236 1.00 0.01 C \nATOM 2314 CD1 PHE A 149 7.508 1.455 17.196 1.00 -0.13 C \nATOM 2315 CD2 PHE A 149 6.574 1.843 19.396 1.00 -0.13 C \nATOM 2316 CE1 PHE A 149 8.254 2.656 17.314 1.00 -0.17 C \nATOM 2317 CE2 PHE A 149 7.302 3.049 19.506 1.00 -0.17 C \nATOM 2318 CZ PHE A 149 8.138 3.447 18.488 1.00 -0.11 C \nATOM 2319 HA PHE A 149 7.162 -1.082 19.595 1.00 0.10 H \nATOM 2320 HB2 PHE A 149 5.621 -0.411 17.097 1.00 0.03 H \nATOM 2321 HB3 PHE A 149 4.974 -0.141 18.751 1.00 0.03 H \nATOM 2322 HD2 PHE A 149 5.947 1.521 20.220 1.00 0.13 H \nATOM 2323 HE2 PHE A 149 7.202 3.662 20.394 1.00 0.14 H \nATOM 2324 HZ PHE A 149 8.708 4.364 18.582 1.00 0.13 H \nATOM 2325 HE1 PHE A 149 8.911 2.969 16.510 1.00 0.14 H \nATOM 2326 HD1 PHE A 149 7.599 0.846 16.304 1.00 0.13 H \nATOM 2327 H PHE A 149 7.536 -1.753 16.726 1.00 0.27 H \nATOM 2328 N GLY A 150 6.538 -3.759 18.713 1.00 -0.42 N \nATOM 2329 CA GLY A 150 5.972 -5.065 18.940 1.00 -0.03 C \nATOM 2330 C GLY A 150 5.638 -5.353 20.389 1.00 0.60 C \nATOM 2331 O GLY A 150 4.729 -6.146 20.641 1.00 -0.57 O \nATOM 2332 HA3 GLY A 150 5.048 -5.148 18.350 1.00 0.07 H \nATOM 2333 HA2 GLY A 150 6.695 -5.819 18.596 1.00 0.07 H \nATOM 2334 H GLY A 150 7.467 -3.701 18.348 1.00 0.27 H \nATOM 2335 N LEU A 151 6.350 -4.737 21.331 1.00 -0.42 N \nATOM 2336 CA LEU A 151 6.000 -4.862 22.743 1.00 -0.05 C \nATOM 2337 C LEU A 151 5.350 -3.623 23.333 1.00 0.60 C \nATOM 2338 O LEU A 151 5.001 -3.624 24.525 1.00 -0.57 O \nATOM 2339 CB LEU A 151 7.218 -5.256 23.586 1.00 -0.11 C \nATOM 2340 CG LEU A 151 7.794 -6.658 23.350 1.00 0.35 C \nATOM 2341 CD1 LEU A 151 9.080 -6.891 24.126 1.00 -0.41 C \nATOM 2342 CD2 LEU A 151 6.738 -7.740 23.738 1.00 -0.41 C \nATOM 2343 HA LEU A 151 5.266 -5.678 22.817 1.00 0.09 H \nATOM 2344 HB2 LEU A 151 8.016 -4.528 23.379 1.00 0.05 H \nATOM 2345 HB3 LEU A 151 6.927 -5.189 24.645 1.00 0.05 H \nATOM 2346 HG LEU A 151 8.019 -6.758 22.278 1.00 -0.04 H \nATOM 2347 HD21 LEU A 151 5.833 -7.604 23.128 1.00 0.10 H \nATOM 2348 HD22 LEU A 151 7.155 -8.741 23.556 1.00 0.10 H \nATOM 2349 HD23 LEU A 151 6.482 -7.637 24.803 1.00 0.10 H \nATOM 2350 HD11 LEU A 151 8.886 -6.770 25.202 1.00 0.10 H \nATOM 2351 HD12 LEU A 151 9.446 -7.910 23.932 1.00 0.10 H \nATOM 2352 HD13 LEU A 151 9.839 -6.162 23.806 1.00 0.10 H \nATOM 2353 H LEU A 151 7.137 -4.180 21.067 1.00 0.27 H \nATOM 2354 N ALA A 152 5.193 -2.570 22.533 1.00 -0.42 N \nATOM 2355 CA ALA A 152 4.637 -1.298 23.007 1.00 0.03 C \nATOM 2356 C ALA A 152 3.185 -1.445 23.466 1.00 0.60 C \nATOM 2357 O ALA A 152 2.475 -2.325 22.998 1.00 -0.57 O \nATOM 2358 CB ALA A 152 4.720 -0.232 21.918 1.00 -0.18 C \nATOM 2359 HA ALA A 152 5.237 -0.965 23.867 1.00 0.08 H \nATOM 2360 HB1 ALA A 152 4.298 0.711 22.295 1.00 0.06 H \nATOM 2361 HB2 ALA A 152 5.772 -0.077 21.636 1.00 0.06 H \nATOM 2362 HB3 ALA A 152 4.150 -0.562 21.037 1.00 0.06 H \nATOM 2363 H ALA A 152 5.464 -2.649 21.574 1.00 0.27 H \nATOM 2364 N THR A 153 2.745 -0.574 24.366 1.00 -0.42 N \nATOM 2365 CA THR A 153 1.338 -0.541 24.752 1.00 -0.04 C \nATOM 2366 C THR A 153 0.905 0.862 25.219 1.00 0.60 C \nATOM 2367 O THR A 153 1.742 1.739 25.416 1.00 -0.57 O \nATOM 2368 CB THR A 153 1.035 -1.638 25.773 1.00 0.37 C \nATOM 2369 OG1 THR A 153 -0.387 -1.823 25.883 1.00 -0.68 O \nATOM 2370 CG2 THR A 153 1.495 -1.271 27.179 1.00 -0.24 C \nATOM 2371 HA THR A 153 0.748 -0.770 23.852 1.00 0.10 H \nATOM 2372 HB THR A 153 1.521 -2.571 25.451 1.00 0.00 H \nATOM 2373 HG1 THR A 153 -0.569 -2.505 26.518 1.00 0.41 H \nATOM 2374 HG23 THR A 153 2.467 -1.745 27.382 1.00 0.06 H \nATOM 2375 HG21 THR A 153 1.596 -0.179 27.258 1.00 0.06 H \nATOM 2376 HG22 THR A 153 0.754 -1.625 27.911 1.00 0.06 H \nATOM 2377 H THR A 153 3.387 0.068 24.785 1.00 0.27 H \nATOM 2378 N VAL A 154 -0.405 1.070 25.331 1.00 -0.42 N \nATOM 2379 CA VAL A 154 -0.996 2.296 25.867 1.00 -0.09 C \nATOM 2380 C VAL A 154 -0.922 2.256 27.363 1.00 0.60 C \nATOM 2381 O VAL A 154 -1.383 1.272 27.973 1.00 -0.57 O \nATOM 2382 CB VAL A 154 -2.500 2.409 25.518 1.00 0.30 C \nATOM 2383 CG1 VAL A 154 -3.099 3.658 26.135 1.00 -0.32 C \nATOM 2384 CG2 VAL A 154 -2.718 2.478 24.020 1.00 -0.32 C \nATOM 2385 HA VAL A 154 -0.451 3.168 25.475 1.00 0.10 H \nATOM 2386 HB VAL A 154 -3.018 1.524 25.916 1.00 -0.03 H \nATOM 2387 HG11 VAL A 154 -2.569 4.544 25.756 1.00 0.08 H \nATOM 2388 HG12 VAL A 154 -4.164 3.725 25.867 1.00 0.08 H \nATOM 2389 HG13 VAL A 154 -2.999 3.611 27.229 1.00 0.08 H \nATOM 2390 HG21 VAL A 154 -2.309 1.572 23.548 1.00 0.08 H \nATOM 2391 HG22 VAL A 154 -3.795 2.547 23.809 1.00 0.08 H \nATOM 2392 HG23 VAL A 154 -2.208 3.365 23.616 1.00 0.08 H \nATOM 2393 H VAL A 154 -1.023 0.344 25.030 1.00 0.27 H \nATOM 2394 N PHE A 155 -0.326 3.282 27.978 1.00 -0.42 N \nATOM 2395 CA PHE A 155 -0.372 3.446 29.438 1.00 -0.00 C \nATOM 2396 C PHE A 155 -1.213 4.653 29.847 1.00 0.60 C \nATOM 2397 O PHE A 155 -1.422 4.894 31.042 1.00 -0.57 O \nATOM 2398 CB PHE A 155 1.027 3.556 30.086 1.00 -0.03 C \nATOM 2399 CG PHE A 155 1.722 4.884 29.845 1.00 0.01 C \nATOM 2400 CD1 PHE A 155 2.456 5.100 28.694 1.00 -0.13 C \nATOM 2401 CD2 PHE A 155 1.636 5.894 30.771 1.00 -0.13 C \nATOM 2402 CE1 PHE A 155 3.034 6.303 28.463 1.00 -0.17 C \nATOM 2403 CE2 PHE A 155 2.239 7.114 30.551 1.00 -0.17 C \nATOM 2404 CZ PHE A 155 2.920 7.331 29.396 1.00 -0.11 C \nATOM 2405 HA PHE A 155 -0.855 2.546 29.847 1.00 0.10 H \nATOM 2406 HB2 PHE A 155 0.916 3.417 31.171 1.00 0.03 H \nATOM 2407 HB3 PHE A 155 1.661 2.756 29.676 1.00 0.03 H \nATOM 2408 HD2 PHE A 155 1.085 5.729 31.690 1.00 0.13 H \nATOM 2409 HE2 PHE A 155 2.170 7.897 31.297 1.00 0.14 H \nATOM 2410 HZ PHE A 155 3.371 8.297 29.202 1.00 0.13 H \nATOM 2411 HE1 PHE A 155 3.589 6.467 27.546 1.00 0.14 H \nATOM 2412 HD1 PHE A 155 2.570 4.301 27.971 1.00 0.13 H \nATOM 2413 H PHE A 155 0.166 3.958 27.429 1.00 0.27 H \nATOM 2414 N ARG A 156 -1.604 5.468 28.880 1.00 -0.35 N \nATOM 2415 CA ARG A 156 -2.461 6.609 29.173 1.00 -0.26 C \nATOM 2416 C ARG A 156 -3.474 6.771 28.083 1.00 0.73 C \nATOM 2417 O ARG A 156 -3.143 6.816 26.887 1.00 -0.59 O \nATOM 2418 CB ARG A 156 -1.654 7.892 29.359 1.00 -0.00 C \nATOM 2419 CG ARG A 156 -2.322 8.928 30.270 1.00 0.04 C \nATOM 2420 CD ARG A 156 -1.828 10.368 30.075 1.00 0.05 C \nATOM 2421 NE ARG A 156 -0.440 10.472 30.490 1.00 -0.53 N \nATOM 2422 CZ ARG A 156 0.584 10.615 29.649 1.00 0.81 C \nATOM 2423 NH1 ARG A 156 0.404 10.721 28.339 1.00 -0.86 N \nATOM 2424 NH2 ARG A 156 1.793 10.664 30.134 1.00 -0.86 N \nATOM 2425 HA ARG A 156 -2.994 6.405 30.113 1.00 0.16 H \nATOM 2426 HB2 ARG A 156 -0.680 7.627 29.795 1.00 0.03 H \nATOM 2427 HB3 ARG A 156 -1.501 8.350 28.371 1.00 0.03 H \nATOM 2428 HG2 ARG A 156 -3.404 8.908 30.075 1.00 0.03 H \nATOM 2429 HG3 ARG A 156 -2.132 8.639 31.314 1.00 0.03 H \nATOM 2430 HD2 ARG A 156 -1.913 10.643 29.013 1.00 0.07 H \nATOM 2431 HD3 ARG A 156 -2.442 11.050 30.681 1.00 0.07 H \nATOM 2432 HE ARG A 156 -0.234 10.433 31.498 1.00 0.35 H \nATOM 2433 HH12 ARG A 156 1.216 10.831 27.715 1.00 0.45 H \nATOM 2434 HH11 ARG A 156 -0.548 10.694 27.946 1.00 0.45 H \nATOM 2435 HH22 ARG A 156 2.598 10.774 29.501 1.00 0.45 H \nATOM 2436 HH21 ARG A 156 1.943 10.593 31.150 1.00 0.45 H \nATOM 2437 H ARG A 156 -1.308 5.299 27.940 1.00 0.27 H \nATOM 2438 N TYR A 157 -4.733 6.894 28.499 1.00 -0.42 N \nATOM 2439 CA TYR A 157 -5.839 7.036 27.554 1.00 -0.00 C \nATOM 2440 C TYR A 157 -6.916 7.911 28.194 1.00 0.60 C \nATOM 2441 O TYR A 157 -7.257 7.723 29.357 1.00 -0.57 O \nATOM 2442 CB TYR A 157 -6.368 5.648 27.123 1.00 -0.02 C \nATOM 2443 CG TYR A 157 -7.217 5.688 25.884 1.00 -0.00 C \nATOM 2444 CD1 TYR A 157 -6.631 5.682 24.618 1.00 -0.19 C \nATOM 2445 CD2 TYR A 157 -8.619 5.788 25.965 1.00 -0.19 C \nATOM 2446 CE1 TYR A 157 -7.384 5.774 23.462 1.00 -0.23 C \nATOM 2447 CE2 TYR A 157 -9.405 5.851 24.784 1.00 -0.23 C \nATOM 2448 CZ TYR A 157 -8.787 5.831 23.551 1.00 0.32 C \nATOM 2449 OH TYR A 157 -9.519 5.903 22.372 1.00 -0.56 O \nATOM 2450 HA TYR A 157 -5.469 7.549 26.654 1.00 0.09 H \nATOM 2451 HB3 TYR A 157 -5.507 4.991 26.934 1.00 0.03 H \nATOM 2452 HB2 TYR A 157 -6.971 5.235 27.945 1.00 0.03 H \nATOM 2453 HD2 TYR A 157 -9.102 5.817 26.935 1.00 0.17 H \nATOM 2454 HE2 TYR A 157 -10.485 5.914 24.851 1.00 0.17 H \nATOM 2455 HE1 TYR A 157 -6.897 5.802 22.494 1.00 0.17 H \nATOM 2456 HD1 TYR A 157 -5.553 5.603 24.538 1.00 0.17 H \nATOM 2457 HH TYR A 157 -8.927 5.875 21.630 1.00 0.40 H \nATOM 2458 H TYR A 157 -4.926 6.889 29.480 1.00 0.27 H \nATOM 2459 N ASN A 158 -7.416 8.894 27.440 1.00 -0.42 N \nATOM 2460 CA ASN A 158 -8.338 9.902 27.972 1.00 0.01 C \nATOM 2461 C ASN A 158 -7.808 10.530 29.238 1.00 0.60 C \nATOM 2462 O ASN A 158 -8.543 10.709 30.187 1.00 -0.57 O \nATOM 2463 CB ASN A 158 -9.750 9.273 28.207 1.00 -0.20 C \nATOM 2464 CG ASN A 158 -10.401 8.893 26.921 1.00 0.71 C \nATOM 2465 OD1 ASN A 158 -10.120 9.510 25.904 1.00 -0.59 O \nATOM 2466 ND2 ASN A 158 -11.250 7.876 26.927 1.00 -0.92 N \nATOM 2467 HA ASN A 158 -8.440 10.698 27.220 1.00 0.10 H \nATOM 2468 HB2 ASN A 158 -9.641 8.374 28.832 1.00 0.08 H \nATOM 2469 HB3 ASN A 158 -10.385 10.006 28.726 1.00 0.08 H \nATOM 2470 HD22 ASN A 158 -11.702 7.597 26.080 1.00 0.42 H \nATOM 2471 HD21 ASN A 158 -11.438 7.387 27.779 1.00 0.42 H \nATOM 2472 H ASN A 158 -7.152 8.944 26.477 1.00 0.27 H \nATOM 2473 N ASN A 159 -6.507 10.820 29.238 1.00 -0.42 N \nATOM 2474 CA ASN A 159 -5.821 11.449 30.368 1.00 0.01 C \nATOM 2475 C ASN A 159 -5.859 10.624 31.647 1.00 0.60 C \nATOM 2476 O ASN A 159 -5.755 11.145 32.746 1.00 -0.57 O \nATOM 2477 CB ASN A 159 -6.402 12.860 30.607 1.00 -0.20 C \nATOM 2478 CG ASN A 159 -5.374 13.816 31.190 1.00 0.71 C \nATOM 2479 OD1 ASN A 159 -4.260 13.958 30.644 1.00 -0.59 O \nATOM 2480 ND2 ASN A 159 -5.716 14.446 32.328 1.00 -0.92 N \nATOM 2481 HA ASN A 159 -4.763 11.562 30.088 1.00 0.10 H \nATOM 2482 HB2 ASN A 159 -6.756 13.264 29.647 1.00 0.08 H \nATOM 2483 HB3 ASN A 159 -7.248 12.781 31.306 1.00 0.08 H \nATOM 2484 HD22 ASN A 159 -5.078 15.086 32.756 1.00 0.42 H \nATOM 2485 HD21 ASN A 159 -6.608 14.274 32.746 1.00 0.42 H \nATOM 2486 H ASN A 159 -5.972 10.596 28.424 1.00 0.27 H \nATOM 2487 N ARG A 160 -6.047 9.324 31.525 1.00 -0.35 N \nATOM 2488 CA ARG A 160 -6.051 8.474 32.694 1.00 -0.26 C \nATOM 2489 C ARG A 160 -4.974 7.406 32.524 1.00 0.73 C \nATOM 2490 O ARG A 160 -4.987 6.663 31.521 1.00 -0.59 O \nATOM 2491 CB ARG A 160 -7.400 7.807 32.824 1.00 -0.00 C \nATOM 2492 CG ARG A 160 -7.542 7.029 34.049 1.00 0.04 C \nATOM 2493 CD ARG A 160 -7.804 7.901 35.250 1.00 0.05 C \nATOM 2494 NE ARG A 160 -7.653 7.120 36.469 1.00 -0.53 N \nATOM 2495 CZ ARG A 160 -8.334 7.322 37.592 1.00 0.81 C \nATOM 2496 NH1 ARG A 160 -9.243 8.293 37.670 1.00 -0.86 N \nATOM 2497 NH2 ARG A 160 -8.112 6.538 38.643 1.00 -0.86 N \nATOM 2498 HA ARG A 160 -5.845 9.073 33.593 1.00 0.16 H \nATOM 2499 HB2 ARG A 160 -8.177 8.585 32.812 1.00 0.03 H \nATOM 2500 HB3 ARG A 160 -7.542 7.135 31.965 1.00 0.03 H \nATOM 2501 HG2 ARG A 160 -8.382 6.329 33.929 1.00 0.03 H \nATOM 2502 HG3 ARG A 160 -6.615 6.462 34.218 1.00 0.03 H \nATOM 2503 HD2 ARG A 160 -7.087 8.735 35.259 1.00 0.07 H \nATOM 2504 HD3 ARG A 160 -8.828 8.299 35.196 1.00 0.07 H \nATOM 2505 HE ARG A 160 -6.966 6.353 36.460 1.00 0.35 H \nATOM 2506 HH12 ARG A 160 -9.765 8.441 38.546 1.00 0.45 H \nATOM 2507 HH11 ARG A 160 -9.424 8.896 36.855 1.00 0.45 H \nATOM 2508 HH22 ARG A 160 -8.636 6.688 39.517 1.00 0.45 H \nATOM 2509 HH21 ARG A 160 -7.416 5.781 38.583 1.00 0.45 H \nATOM 2510 H ARG A 160 -6.187 8.925 30.619 1.00 0.27 H \nATOM 2511 N GLU A 161 -4.086 7.335 33.503 1.00 -0.52 N \nATOM 2512 CA GLU A 161 -2.978 6.403 33.496 1.00 0.04 C \nATOM 2513 C GLU A 161 -3.487 5.032 33.879 1.00 0.54 C \nATOM 2514 O GLU A 161 -4.292 4.900 34.762 1.00 -0.58 O \nATOM 2515 CB GLU A 161 -1.892 6.815 34.488 1.00 0.06 C \nATOM 2516 CG GLU A 161 -0.696 5.866 34.478 1.00 0.01 C \nATOM 2517 CD GLU A 161 0.473 6.317 35.320 1.00 0.81 C \nATOM 2518 OE1 GLU A 161 1.531 5.668 35.190 1.00 -0.82 O \nATOM 2519 OE2 GLU A 161 0.335 7.290 36.111 1.00 -0.82 O \nATOM 2520 HA GLU A 161 -2.546 6.367 32.485 1.00 0.11 H \nATOM 2521 HB2 GLU A 161 -1.542 7.825 34.228 1.00 -0.02 H \nATOM 2522 HB3 GLU A 161 -2.325 6.826 35.499 1.00 -0.02 H \nATOM 2523 HG2 GLU A 161 -1.031 4.888 34.853 1.00 -0.04 H \nATOM 2524 HG3 GLU A 161 -0.350 5.761 33.439 1.00 -0.04 H \nATOM 2525 H GLU A 161 -4.185 7.953 34.283 1.00 0.29 H \nATOM 2526 N ARG A 162 -3.008 4.009 33.195 1.00 -0.35 N \nATOM 2527 CA ARG A 162 -3.203 2.655 33.626 1.00 -0.26 C \nATOM 2528 C ARG A 162 -1.848 2.039 34.034 1.00 0.73 C \nATOM 2529 O ARG A 162 -0.799 2.199 33.342 1.00 -0.59 O \nATOM 2530 CB ARG A 162 -3.908 1.881 32.533 1.00 -0.00 C \nATOM 2531 CG ARG A 162 -3.141 0.888 31.732 1.00 0.04 C \nATOM 2532 CD ARG A 162 -4.011 0.239 30.642 1.00 0.05 C \nATOM 2533 NE ARG A 162 -3.260 -0.154 29.450 1.00 -0.53 N \nATOM 2534 CZ ARG A 162 -2.423 -1.187 29.384 1.00 0.81 C \nATOM 2535 NH1 ARG A 162 -2.192 -1.955 30.444 1.00 -0.86 N \nATOM 2536 NH2 ARG A 162 -1.810 -1.454 28.247 1.00 -0.86 N \nATOM 2537 HA ARG A 162 -3.853 2.658 34.513 1.00 0.16 H \nATOM 2538 HB2 ARG A 162 -4.738 1.337 33.009 1.00 0.03 H \nATOM 2539 HB3 ARG A 162 -4.312 2.620 31.826 1.00 0.03 H \nATOM 2540 HG2 ARG A 162 -2.291 1.397 31.253 1.00 0.03 H \nATOM 2541 HG3 ARG A 162 -2.767 0.102 32.404 1.00 0.03 H \nATOM 2542 HD2 ARG A 162 -4.486 -0.658 31.065 1.00 0.07 H \nATOM 2543 HD3 ARG A 162 -4.787 0.959 30.342 1.00 0.07 H \nATOM 2544 HE ARG A 162 -3.388 0.411 28.598 1.00 0.35 H \nATOM 2545 HH12 ARG A 162 -1.541 -2.750 30.372 1.00 0.45 H \nATOM 2546 HH11 ARG A 162 -2.664 -1.755 31.337 1.00 0.45 H \nATOM 2547 HH22 ARG A 162 -1.161 -2.251 28.187 1.00 0.45 H \nATOM 2548 HH21 ARG A 162 -1.981 -0.865 27.419 1.00 0.45 H \nATOM 2549 H ARG A 162 -2.496 4.183 32.354 1.00 0.27 H \nATOM 2550 N LEU A 163 -1.877 1.363 35.163 1.00 -0.42 N \nATOM 2551 CA LEU A 163 -0.685 0.711 35.664 1.00 -0.05 C \nATOM 2552 C LEU A 163 -0.444 -0.525 34.850 1.00 0.60 C \nATOM 2553 O LEU A 163 -1.367 -1.166 34.392 1.00 -0.57 O \nATOM 2554 CB LEU A 163 -0.847 0.339 37.122 1.00 -0.11 C \nATOM 2555 CG LEU A 163 -1.093 1.497 38.067 1.00 0.35 C \nATOM 2556 CD1 LEU A 163 -1.360 0.929 39.418 1.00 -0.41 C \nATOM 2557 CD2 LEU A 163 0.087 2.435 38.074 1.00 -0.41 C \nATOM 2558 HA LEU A 163 0.173 1.392 35.561 1.00 0.09 H \nATOM 2559 HB2 LEU A 163 -1.699 -0.351 37.203 1.00 0.05 H \nATOM 2560 HB3 LEU A 163 0.071 -0.173 37.445 1.00 0.05 H \nATOM 2561 HG LEU A 163 -1.979 2.056 37.732 1.00 -0.04 H \nATOM 2562 HD21 LEU A 163 0.254 2.822 37.058 1.00 0.10 H \nATOM 2563 HD22 LEU A 163 -0.115 3.273 38.757 1.00 0.10 H \nATOM 2564 HD23 LEU A 163 0.983 1.894 38.412 1.00 0.10 H \nATOM 2565 HD11 LEU A 163 -0.493 0.335 39.744 1.00 0.10 H \nATOM 2566 HD12 LEU A 163 -1.533 1.747 40.132 1.00 0.10 H \nATOM 2567 HD13 LEU A 163 -2.251 0.285 39.375 1.00 0.10 H \nATOM 2568 H LEU A 163 -2.731 1.299 35.680 1.00 0.27 H \nATOM 2569 N LEU A 164 0.811 -0.874 34.671 1.00 -0.42 N \nATOM 2570 CA LEU A 164 1.151 -2.102 33.935 1.00 -0.05 C \nATOM 2571 C LEU A 164 1.373 -3.271 34.863 1.00 0.60 C \nATOM 2572 O LEU A 164 1.753 -3.063 36.010 1.00 -0.57 O \nATOM 2573 CB LEU A 164 2.394 -1.856 33.087 1.00 -0.11 C \nATOM 2574 CG LEU A 164 2.193 -0.764 32.025 1.00 0.35 C \nATOM 2575 CD1 LEU A 164 3.392 -0.669 31.155 1.00 -0.41 C \nATOM 2576 CD2 LEU A 164 0.989 -1.077 31.175 1.00 -0.41 C \nATOM 2577 HA LEU A 164 0.312 -2.349 33.267 1.00 0.09 H \nATOM 2578 HB2 LEU A 164 3.216 -1.551 33.751 1.00 0.05 H \nATOM 2579 HB3 LEU A 164 2.662 -2.794 32.578 1.00 0.05 H \nATOM 2580 HG LEU A 164 2.036 0.200 32.530 1.00 -0.04 H \nATOM 2581 HD21 LEU A 164 0.095 -1.138 31.813 1.00 0.10 H \nATOM 2582 HD22 LEU A 164 0.852 -0.282 30.427 1.00 0.10 H \nATOM 2583 HD23 LEU A 164 1.141 -2.039 30.664 1.00 0.10 H \nATOM 2584 HD11 LEU A 164 3.564 -1.637 30.661 1.00 0.10 H \nATOM 2585 HD12 LEU A 164 3.232 0.108 30.393 1.00 0.10 H \nATOM 2586 HD13 LEU A 164 4.269 -0.408 31.766 1.00 0.10 H \nATOM 2587 H LEU A 164 1.542 -0.299 35.039 1.00 0.27 H \nATOM 2588 N ASN A 165 1.139 -4.488 34.357 1.00 -0.42 N \nATOM 2589 CA ASN A 165 1.558 -5.741 35.029 1.00 0.01 C \nATOM 2590 C ASN A 165 2.189 -6.885 34.182 1.00 0.60 C \nATOM 2591 O ASN A 165 2.642 -7.895 34.736 1.00 -0.57 O \nATOM 2592 CB ASN A 165 0.375 -6.326 35.785 1.00 -0.20 C \nATOM 2593 CG ASN A 165 -0.777 -6.608 34.880 1.00 0.71 C \nATOM 2594 OD1 ASN A 165 -1.789 -5.939 34.950 1.00 -0.59 O \nATOM 2595 ND2 ASN A 165 -0.589 -7.547 33.951 1.00 -0.92 N \nATOM 2596 HA ASN A 165 2.322 -5.447 35.763 1.00 0.10 H \nATOM 2597 HB2 ASN A 165 0.688 -7.265 36.265 1.00 0.08 H \nATOM 2598 HB3 ASN A 165 0.055 -5.609 36.555 1.00 0.08 H \nATOM 2599 HD22 ASN A 165 -1.327 -7.778 33.317 1.00 0.42 H \nATOM 2600 HD21 ASN A 165 0.290 -8.020 33.889 1.00 0.42 H \nATOM 2601 H ASN A 165 0.658 -4.555 33.483 1.00 0.27 H \nATOM 2602 N LYS A 166 2.192 -6.774 32.862 1.00 -0.35 N \nATOM 2603 CA LYS A 166 2.795 -7.787 32.010 1.00 -0.24 C \nATOM 2604 C LYS A 166 4.306 -7.585 32.162 1.00 0.73 C \nATOM 2605 O LYS A 166 4.796 -6.465 32.036 1.00 -0.59 O \nATOM 2606 CB LYS A 166 2.383 -7.556 30.552 1.00 -0.01 C \nATOM 2607 CG LYS A 166 2.902 -8.607 29.523 1.00 0.02 C \nATOM 2608 CD LYS A 166 2.443 -8.264 28.087 1.00 -0.05 C \nATOM 2609 CE LYS A 166 3.467 -8.635 27.030 1.00 -0.01 C \nATOM 2610 NZ LYS A 166 4.833 -8.050 27.338 1.00 -0.39 N \nATOM 2611 HA LYS A 166 2.499 -8.797 32.329 1.00 0.14 H \nATOM 2612 HB2 LYS A 166 1.284 -7.556 30.508 1.00 0.04 H \nATOM 2613 HB3 LYS A 166 2.762 -6.570 30.247 1.00 0.04 H \nATOM 2614 HG2 LYS A 166 4.001 -8.625 29.553 1.00 0.01 H \nATOM 2615 HG3 LYS A 166 2.512 -9.599 29.796 1.00 0.01 H \nATOM 2616 HD2 LYS A 166 1.511 -8.809 27.878 1.00 0.06 H \nATOM 2617 HD3 LYS A 166 2.256 -7.182 28.028 1.00 0.06 H \nATOM 2618 HE2 LYS A 166 3.551 -9.731 26.985 1.00 0.11 H \nATOM 2619 HE3 LYS A 166 3.128 -8.253 26.056 1.00 0.11 H \nATOM 2620 HZ1 LYS A 166 5.151 -8.392 28.231 1.00 0.34 H \nATOM 2621 HZ2 LYS A 166 5.486 -8.325 26.621 1.00 0.34 H \nATOM 2622 HZ3 LYS A 166 4.769 -7.044 27.366 1.00 0.34 H \nATOM 2623 H LYS A 166 1.768 -5.972 32.440 1.00 0.27 H \nATOM 2624 N MET A 167 5.016 -8.651 32.514 1.00 -0.42 N \nATOM 2625 CA MET A 167 6.463 -8.650 32.486 1.00 -0.02 C \nATOM 2626 C MET A 167 6.907 -8.764 31.033 1.00 0.60 C \nATOM 2627 O MET A 167 6.492 -9.679 30.305 1.00 -0.57 O \nATOM 2628 CB MET A 167 7.038 -9.817 33.310 1.00 0.03 C \nATOM 2629 CG MET A 167 7.087 -9.538 34.806 1.00 0.00 C \nATOM 2630 SD MET A 167 8.408 -10.494 35.558 1.00 -0.27 S \nATOM 2631 CE MET A 167 7.468 -11.768 36.274 1.00 -0.05 C \nATOM 2632 HA MET A 167 6.832 -7.703 32.908 1.00 0.09 H \nATOM 2633 HB2 MET A 167 6.410 -10.705 33.142 1.00 0.02 H \nATOM 2634 HB3 MET A 167 8.061 -10.020 32.960 1.00 0.02 H \nATOM 2635 HG2 MET A 167 7.271 -8.466 34.972 1.00 0.04 H \nATOM 2636 HG3 MET A 167 6.127 -9.820 35.262 1.00 0.04 H \nATOM 2637 HE1 MET A 167 6.908 -12.296 35.488 1.00 0.07 H \nATOM 2638 HE2 MET A 167 8.138 -12.475 36.785 1.00 0.07 H \nATOM 2639 HE3 MET A 167 6.763 -11.339 37.002 1.00 0.07 H \nATOM 2640 H MET A 167 4.537 -9.478 32.807 1.00 0.27 H \nATOM 2641 N CYS A 168 7.695 -7.796 30.586 1.00 -0.42 N \nATOM 2642 CA CYS A 168 8.357 -7.947 29.311 1.00 0.02 C \nATOM 2643 C CYS A 168 9.521 -7.028 29.178 1.00 0.60 C \nATOM 2644 O CYS A 168 9.762 -6.193 30.043 1.00 -0.57 O \nATOM 2645 CB CYS A 168 7.393 -7.736 28.180 1.00 -0.12 C \nATOM 2646 SG CYS A 168 6.623 -6.125 28.191 1.00 -0.31 S \nATOM 2647 HA CYS A 168 8.734 -8.979 29.249 1.00 0.11 H \nATOM 2648 HB2 CYS A 168 7.937 -7.855 27.232 1.00 0.11 H \nATOM 2649 HB3 CYS A 168 6.604 -8.499 28.248 1.00 0.11 H \nATOM 2650 HG CYS A 168 5.991 -6.049 27.410 1.00 0.19 H \nATOM 2651 H CYS A 168 7.830 -6.967 31.128 1.00 0.27 H \nATOM 2652 N GLY A 169 10.249 -7.215 28.087 1.00 -0.42 N \nATOM 2653 CA GLY A 169 11.490 -6.514 27.855 1.00 -0.03 C \nATOM 2654 C GLY A 169 12.623 -7.494 27.766 1.00 0.60 C \nATOM 2655 O GLY A 169 12.432 -8.609 27.304 1.00 -0.57 O \nATOM 2656 HA3 GLY A 169 11.420 -5.951 26.912 1.00 0.07 H \nATOM 2657 HA2 GLY A 169 11.676 -5.817 28.685 1.00 0.07 H \nATOM 2658 H GLY A 169 9.927 -7.865 27.399 1.00 0.27 H \nATOM 2659 N THR A 170 13.804 -7.051 28.204 1.00 -0.42 N \nATOM 2660 CA THR A 170 15.077 -7.775 28.068 1.00 -0.04 C \nATOM 2661 C THR A 170 15.795 -7.597 29.396 1.00 0.60 C \nATOM 2662 O THR A 170 16.004 -6.469 29.807 1.00 -0.57 O \nATOM 2663 CB THR A 170 15.866 -7.113 26.918 1.00 0.37 C \nATOM 2664 OG1 THR A 170 15.116 -7.249 25.716 1.00 -0.68 O \nATOM 2665 CG2 THR A 170 17.168 -7.780 26.651 1.00 -0.24 C \nATOM 2666 HA THR A 170 14.912 -8.841 27.855 1.00 0.10 H \nATOM 2667 HB THR A 170 16.032 -6.052 27.156 1.00 0.00 H \nATOM 2668 HG1 THR A 170 15.591 -6.845 24.999 1.00 0.41 H \nATOM 2669 HG23 THR A 170 17.975 -7.220 27.145 1.00 0.06 H \nATOM 2670 HG21 THR A 170 17.141 -8.807 27.043 1.00 0.06 H \nATOM 2671 HG22 THR A 170 17.351 -7.806 25.567 1.00 0.06 H \nATOM 2672 H THR A 170 13.824 -6.160 28.658 1.00 0.27 H \nATOM 2673 N LEU A 171 16.118 -8.691 30.093 1.00 -0.42 N \nATOM 2674 CA LEU A 171 16.493 -8.643 31.510 1.00 -0.05 C \nATOM 2675 C LEU A 171 17.556 -7.599 31.923 1.00 0.60 C \nATOM 2676 O LEU A 171 17.375 -6.895 32.894 1.00 -0.57 O \nATOM 2677 CB LEU A 171 16.907 -10.046 32.035 1.00 -0.11 C \nATOM 2678 CG LEU A 171 15.712 -10.972 32.351 1.00 0.35 C \nATOM 2679 CD1 LEU A 171 16.150 -12.429 32.473 1.00 -0.41 C \nATOM 2680 CD2 LEU A 171 15.000 -10.487 33.654 1.00 -0.41 C \nATOM 2681 HA LEU A 171 15.575 -8.361 32.045 1.00 0.09 H \nATOM 2682 HB2 LEU A 171 17.530 -10.533 31.270 1.00 0.05 H \nATOM 2683 HB3 LEU A 171 17.495 -9.912 32.955 1.00 0.05 H \nATOM 2684 HG LEU A 171 14.995 -10.903 31.520 1.00 -0.04 H \nATOM 2685 HD21 LEU A 171 14.646 -9.455 33.516 1.00 0.10 H \nATOM 2686 HD22 LEU A 171 14.144 -11.143 33.870 1.00 0.10 H \nATOM 2687 HD23 LEU A 171 15.709 -10.522 34.494 1.00 0.10 H \nATOM 2688 HD11 LEU A 171 16.895 -12.522 33.277 1.00 0.10 H \nATOM 2689 HD12 LEU A 171 15.277 -13.056 32.708 1.00 0.10 H \nATOM 2690 HD13 LEU A 171 16.593 -12.759 31.522 1.00 0.10 H \nATOM 2691 H LEU A 171 16.103 -9.577 29.630 1.00 0.27 H \nATOM 2692 N PRO A 172 18.670 -7.502 31.205 1.00 -0.25 N \nATOM 2693 CA PRO A 172 19.693 -6.519 31.586 1.00 -0.03 C \nATOM 2694 C PRO A 172 19.179 -5.043 31.482 1.00 0.59 C \nATOM 2695 O PRO A 172 19.718 -4.181 32.176 1.00 -0.57 O \nATOM 2696 CB PRO A 172 20.847 -6.789 30.613 1.00 -0.01 C \nATOM 2697 CG PRO A 172 20.504 -8.046 29.878 1.00 0.02 C \nATOM 2698 CD PRO A 172 19.039 -8.280 30.008 1.00 0.02 C \nATOM 2699 HA PRO A 172 20.020 -6.701 32.620 1.00 0.06 H \nATOM 2700 HD3 PRO A 172 18.823 -9.349 30.152 1.00 0.04 H \nATOM 2701 HD2 PRO A 172 18.502 -7.914 29.120 1.00 0.04 H \nATOM 2702 HG3 PRO A 172 21.056 -8.893 30.312 1.00 0.02 H \nATOM 2703 HG2 PRO A 172 20.771 -7.940 28.816 1.00 0.02 H \nATOM 2704 HB2 PRO A 172 20.950 -5.953 29.906 1.00 0.03 H \nATOM 2705 HB3 PRO A 172 21.788 -6.919 31.168 1.00 0.03 H \nATOM 2706 N TYR A 173 18.153 -4.788 30.688 1.00 -0.42 N \nATOM 2707 CA TYR A 173 17.577 -3.439 30.559 1.00 -0.00 C \nATOM 2708 C TYR A 173 16.349 -3.143 31.415 1.00 0.60 C \nATOM 2709 O TYR A 173 15.868 -1.993 31.495 1.00 -0.57 O \nATOM 2710 CB TYR A 173 17.238 -3.194 29.112 1.00 -0.02 C \nATOM 2711 CG TYR A 173 18.447 -3.340 28.232 1.00 -0.00 C \nATOM 2712 CD1 TYR A 173 19.250 -2.256 27.961 1.00 -0.19 C \nATOM 2713 CD2 TYR A 173 18.792 -4.568 27.687 1.00 -0.19 C \nATOM 2714 CE1 TYR A 173 20.382 -2.374 27.194 1.00 -0.23 C \nATOM 2715 CE2 TYR A 173 19.922 -4.692 26.863 1.00 -0.23 C \nATOM 2716 CZ TYR A 173 20.712 -3.599 26.646 1.00 0.32 C \nATOM 2717 OH TYR A 173 21.848 -3.675 25.858 1.00 -0.56 O \nATOM 2718 HA TYR A 173 18.358 -2.725 30.860 1.00 0.09 H \nATOM 2719 HB3 TYR A 173 16.475 -3.921 28.795 1.00 0.03 H \nATOM 2720 HB2 TYR A 173 16.839 -2.174 29.006 1.00 0.03 H \nATOM 2721 HD2 TYR A 173 18.184 -5.440 27.899 1.00 0.17 H \nATOM 2722 HE2 TYR A 173 20.165 -5.644 26.404 1.00 0.17 H \nATOM 2723 HE1 TYR A 173 21.014 -1.511 27.019 1.00 0.17 H \nATOM 2724 HD1 TYR A 173 18.982 -1.286 28.363 1.00 0.17 H \nATOM 2725 HH TYR A 173 22.267 -2.823 25.823 1.00 0.40 H \nATOM 2726 H TYR A 173 17.755 -5.536 30.157 1.00 0.27 H \nATOM 2727 N VAL A 174 15.811 -4.191 32.009 1.00 -0.42 N \nATOM 2728 CA VAL A 174 14.549 -4.133 32.710 1.00 -0.09 C \nATOM 2729 C VAL A 174 14.707 -3.552 34.101 1.00 0.60 C \nATOM 2730 O VAL A 174 15.690 -3.812 34.767 1.00 -0.57 O \nATOM 2731 CB VAL A 174 13.947 -5.586 32.734 1.00 0.30 C \nATOM 2732 CG1 VAL A 174 14.082 -6.205 34.083 1.00 -0.32 C \nATOM 2733 CG2 VAL A 174 12.566 -5.606 32.217 1.00 -0.32 C \nATOM 2734 HA VAL A 174 13.864 -3.480 32.149 1.00 0.10 H \nATOM 2735 HB VAL A 174 14.550 -6.196 32.045 1.00 -0.03 H \nATOM 2736 HG11 VAL A 174 13.555 -5.586 34.825 1.00 0.08 H \nATOM 2737 HG12 VAL A 174 13.644 -7.214 34.069 1.00 0.08 H \nATOM 2738 HG13 VAL A 174 15.147 -6.272 34.351 1.00 0.08 H \nATOM 2739 HG21 VAL A 174 12.556 -5.233 31.182 1.00 0.08 H \nATOM 2740 HG22 VAL A 174 12.181 -6.636 32.239 1.00 0.08 H \nATOM 2741 HG23 VAL A 174 11.930 -4.964 32.844 1.00 0.08 H \nATOM 2742 H VAL A 174 16.298 -5.064 31.972 1.00 0.27 H \nATOM 2743 N ALA A 175 13.710 -2.766 34.541 1.00 -0.42 N \nATOM 2744 CA ALA A 175 13.756 -2.085 35.828 1.00 0.03 C \nATOM 2745 C ALA A 175 13.408 -3.054 36.952 1.00 0.60 C \nATOM 2746 O ALA A 175 12.628 -3.967 36.739 1.00 -0.57 O \nATOM 2747 CB ALA A 175 12.765 -0.880 35.835 1.00 -0.18 C \nATOM 2748 HA ALA A 175 14.776 -1.706 35.991 1.00 0.08 H \nATOM 2749 HB1 ALA A 175 12.809 -0.375 36.811 1.00 0.06 H \nATOM 2750 HB2 ALA A 175 13.044 -0.171 35.042 1.00 0.06 H \nATOM 2751 HB3 ALA A 175 11.743 -1.245 35.657 1.00 0.06 H \nATOM 2752 H ALA A 175 12.904 -2.644 33.962 1.00 0.27 H \nATOM 2753 N PRO A 176 13.958 -2.865 38.145 1.00 -0.25 N \nATOM 2754 CA PRO A 176 13.794 -3.865 39.204 1.00 -0.03 C \nATOM 2755 C PRO A 176 12.340 -4.088 39.643 1.00 0.59 C \nATOM 2756 O PRO A 176 12.027 -5.235 40.051 1.00 -0.57 O \nATOM 2757 CB PRO A 176 14.600 -3.265 40.374 1.00 -0.01 C \nATOM 2758 CG PRO A 176 14.738 -1.770 40.050 1.00 0.02 C \nATOM 2759 CD PRO A 176 14.814 -1.753 38.580 1.00 0.02 C \nATOM 2760 HA PRO A 176 14.219 -4.828 38.883 1.00 0.06 H \nATOM 2761 HD3 PRO A 176 15.850 -1.908 38.244 1.00 0.04 H \nATOM 2762 HD2 PRO A 176 14.439 -0.798 38.184 1.00 0.04 H \nATOM 2763 HG3 PRO A 176 15.652 -1.352 40.498 1.00 0.02 H \nATOM 2764 HG2 PRO A 176 13.863 -1.206 40.407 1.00 0.02 H \nATOM 2765 HB2 PRO A 176 14.062 -3.405 41.323 1.00 0.03 H \nATOM 2766 HB3 PRO A 176 15.591 -3.737 40.441 1.00 0.03 H \nATOM 2767 N GLU A 177 11.494 -3.042 39.573 1.00 -0.52 N \nATOM 2768 CA GLU A 177 10.089 -3.146 39.977 1.00 0.04 C \nATOM 2769 C GLU A 177 9.299 -4.144 39.149 1.00 0.54 C \nATOM 2770 O GLU A 177 8.326 -4.746 39.630 1.00 -0.58 O \nATOM 2771 CB GLU A 177 9.370 -1.789 39.984 1.00 0.06 C \nATOM 2772 CG GLU A 177 9.244 -1.004 38.651 1.00 0.01 C \nATOM 2773 CD GLU A 177 10.439 -0.113 38.348 1.00 0.81 C \nATOM 2774 OE1 GLU A 177 10.274 0.791 37.493 1.00 -0.82 O \nATOM 2775 OE2 GLU A 177 11.549 -0.333 38.949 1.00 -0.82 O \nATOM 2776 HA GLU A 177 10.090 -3.517 41.013 1.00 0.11 H \nATOM 2777 HB2 GLU A 177 8.349 -1.966 40.353 1.00 -0.02 H \nATOM 2778 HB3 GLU A 177 9.909 -1.141 40.691 1.00 -0.02 H \nATOM 2779 HG2 GLU A 177 9.135 -1.729 37.831 1.00 -0.04 H \nATOM 2780 HG3 GLU A 177 8.345 -0.372 38.704 1.00 -0.04 H \nATOM 2781 H GLU A 177 11.836 -2.166 39.234 1.00 0.29 H \nATOM 2782 N LEU A 178 9.680 -4.302 37.888 1.00 -0.42 N \nATOM 2783 CA LEU A 178 8.959 -5.203 36.997 1.00 -0.05 C \nATOM 2784 C LEU A 178 9.204 -6.657 37.386 1.00 0.60 C \nATOM 2785 O LEU A 178 8.306 -7.493 37.241 1.00 -0.57 O \nATOM 2786 CB LEU A 178 9.234 -4.813 35.502 1.00 -0.11 C \nATOM 2787 CG LEU A 178 9.434 -5.631 34.225 1.00 0.35 C \nATOM 2788 CD1 LEU A 178 9.214 -7.059 34.343 1.00 -0.41 C \nATOM 2789 CD2 LEU A 178 8.691 -5.039 33.014 1.00 -0.41 C \nATOM 2790 HA LEU A 178 7.885 -5.028 37.160 1.00 0.09 H \nATOM 2791 HB2 LEU A 178 8.386 -4.159 35.252 1.00 0.05 H \nATOM 2792 HB3 LEU A 178 10.154 -4.213 35.563 1.00 0.05 H \nATOM 2793 HG LEU A 178 10.504 -5.528 33.993 1.00 -0.04 H \nATOM 2794 HD21 LEU A 178 9.051 -4.016 32.827 1.00 0.10 H \nATOM 2795 HD22 LEU A 178 8.880 -5.662 32.127 1.00 0.10 H \nATOM 2796 HD23 LEU A 178 7.611 -5.016 33.222 1.00 0.10 H \nATOM 2797 HD11 LEU A 178 8.182 -7.245 34.675 1.00 0.10 H \nATOM 2798 HD12 LEU A 178 9.376 -7.537 33.366 1.00 0.10 H \nATOM 2799 HD13 LEU A 178 9.917 -7.479 35.078 1.00 0.10 H \nATOM 2800 H LEU A 178 10.472 -3.797 37.544 1.00 0.27 H \nATOM 2801 N LEU A 179 10.364 -6.937 38.002 1.00 -0.42 N \nATOM 2802 CA LEU A 179 10.601 -8.225 38.652 1.00 -0.05 C \nATOM 2803 C LEU A 179 9.997 -8.371 40.076 1.00 0.60 C \nATOM 2804 O LEU A 179 9.823 -9.468 40.552 1.00 -0.57 O \nATOM 2805 CB LEU A 179 12.098 -8.525 38.734 1.00 -0.11 C \nATOM 2806 CG LEU A 179 12.882 -8.370 37.431 1.00 0.35 C \nATOM 2807 CD1 LEU A 179 14.320 -8.451 37.712 1.00 -0.41 C \nATOM 2808 CD2 LEU A 179 12.451 -9.469 36.471 1.00 -0.41 C \nATOM 2809 HA LEU A 179 10.132 -8.992 38.018 1.00 0.09 H \nATOM 2810 HB2 LEU A 179 12.538 -7.842 39.476 1.00 0.05 H \nATOM 2811 HB3 LEU A 179 12.215 -9.564 39.076 1.00 0.05 H \nATOM 2812 HG LEU A 179 12.659 -7.391 36.983 1.00 -0.04 H \nATOM 2813 HD21 LEU A 179 11.371 -9.386 36.280 1.00 0.10 H \nATOM 2814 HD22 LEU A 179 13.000 -9.364 35.524 1.00 0.10 H \nATOM 2815 HD23 LEU A 179 12.671 -10.451 36.915 1.00 0.10 H \nATOM 2816 HD11 LEU A 179 14.549 -9.423 38.174 1.00 0.10 H \nATOM 2817 HD12 LEU A 179 14.883 -8.350 36.773 1.00 0.10 H \nATOM 2818 HD13 LEU A 179 14.605 -7.641 38.400 1.00 0.10 H \nATOM 2819 H LEU A 179 11.086 -6.245 38.017 1.00 0.27 H \nATOM 2820 N LYS A 180 9.747 -7.288 40.784 1.00 -0.35 N \nATOM 2821 CA LYS A 180 9.379 -7.375 42.209 1.00 -0.24 C \nATOM 2822 C LYS A 180 7.896 -7.130 42.513 1.00 0.73 C \nATOM 2823 O LYS A 180 7.394 -7.615 43.517 1.00 -0.59 O \nATOM 2824 CB LYS A 180 10.186 -6.374 43.019 1.00 -0.01 C \nATOM 2825 CG LYS A 180 11.692 -6.539 42.919 1.00 0.02 C \nATOM 2826 CD LYS A 180 12.459 -5.222 43.257 1.00 -0.05 C \nATOM 2827 CE LYS A 180 13.822 -5.472 43.973 1.00 -0.01 C \nATOM 2828 NZ LYS A 180 15.038 -5.371 43.091 1.00 -0.39 N \nATOM 2829 HA LYS A 180 9.629 -8.390 42.550 1.00 0.14 H \nATOM 2830 HB2 LYS A 180 9.929 -5.364 42.668 1.00 0.04 H \nATOM 2831 HB3 LYS A 180 9.900 -6.479 44.076 1.00 0.04 H \nATOM 2832 HG2 LYS A 180 12.009 -7.323 43.623 1.00 0.01 H \nATOM 2833 HG3 LYS A 180 11.947 -6.843 41.893 1.00 0.01 H \nATOM 2834 HD2 LYS A 180 12.651 -4.679 42.320 1.00 0.06 H \nATOM 2835 HD3 LYS A 180 11.826 -4.608 43.914 1.00 0.06 H \nATOM 2836 HE2 LYS A 180 13.924 -4.731 44.779 1.00 0.11 H \nATOM 2837 HE3 LYS A 180 13.799 -6.483 44.406 1.00 0.11 H \nATOM 2838 HZ1 LYS A 180 15.083 -4.449 42.686 1.00 0.34 H \nATOM 2839 HZ2 LYS A 180 15.866 -5.537 43.641 1.00 0.34 H \nATOM 2840 HZ3 LYS A 180 14.978 -6.059 42.356 1.00 0.34 H \nATOM 2841 H LYS A 180 9.808 -6.391 40.347 1.00 0.27 H \nATOM 2842 N ARG A 181 7.204 -6.380 41.655 1.00 -0.35 N \nATOM 2843 CA ARG A 181 5.873 -5.892 41.954 1.00 -0.26 C \nATOM 2844 C ARG A 181 4.877 -6.403 40.961 1.00 0.73 C \nATOM 2845 O ARG A 181 5.215 -6.640 39.801 1.00 -0.59 O \nATOM 2846 CB ARG A 181 5.832 -4.362 41.954 1.00 -0.00 C \nATOM 2847 CG ARG A 181 7.113 -3.708 42.194 1.00 0.04 C \nATOM 2848 CD ARG A 181 7.324 -3.080 43.512 1.00 0.05 C \nATOM 2849 NE ARG A 181 7.146 -3.928 44.657 1.00 -0.53 N \nATOM 2850 CZ ARG A 181 7.788 -3.769 45.835 1.00 0.81 C \nATOM 2851 NH1 ARG A 181 7.517 -4.565 46.868 1.00 -0.86 N \nATOM 2852 NH2 ARG A 181 8.708 -2.844 46.019 1.00 -0.86 N \nATOM 2853 HA ARG A 181 5.591 -6.252 42.954 1.00 0.16 H \nATOM 2854 HB2 ARG A 181 5.459 -4.031 40.973 1.00 0.03 H \nATOM 2855 HB3 ARG A 181 5.133 -4.040 42.740 1.00 0.03 H \nATOM 2856 HG2 ARG A 181 7.899 -4.466 42.061 1.00 0.03 H \nATOM 2857 HG3 ARG A 181 7.229 -2.922 41.433 1.00 0.03 H \nATOM 2858 HD2 ARG A 181 8.354 -2.694 43.538 1.00 0.07 H \nATOM 2859 HD3 ARG A 181 6.616 -2.243 43.602 1.00 0.07 H \nATOM 2860 HE ARG A 181 6.483 -4.712 44.574 1.00 0.35 H \nATOM 2861 HH12 ARG A 181 8.012 -4.435 47.762 1.00 0.45 H \nATOM 2862 HH11 ARG A 181 6.812 -5.310 46.773 1.00 0.45 H \nATOM 2863 HH22 ARG A 181 9.174 -2.756 46.933 1.00 0.45 H \nATOM 2864 HH21 ARG A 181 8.961 -2.209 45.249 1.00 0.45 H \nATOM 2865 H ARG A 181 7.618 -6.146 40.775 1.00 0.27 H \nATOM 2866 N ARG A 182 3.635 -6.542 41.414 1.00 -0.35 N \nATOM 2867 CA ARG A 182 2.526 -7.013 40.568 1.00 -0.26 C \nATOM 2868 C ARG A 182 2.154 -5.969 39.515 1.00 0.73 C \nATOM 2869 O ARG A 182 1.834 -6.309 38.385 1.00 -0.59 O \nATOM 2870 CB ARG A 182 1.279 -7.307 41.444 1.00 -0.00 C \nATOM 2871 CG ARG A 182 0.093 -7.865 40.648 1.00 0.04 C \nATOM 2872 CD ARG A 182 -1.058 -8.373 41.524 1.00 0.05 C \nATOM 2873 NE ARG A 182 -1.553 -7.329 42.436 1.00 -0.53 N \nATOM 2874 CZ ARG A 182 -2.527 -6.442 42.160 1.00 0.81 C \nATOM 2875 NH1 ARG A 182 -3.148 -6.422 40.972 1.00 -0.86 N \nATOM 2876 NH2 ARG A 182 -2.884 -5.556 43.093 1.00 -0.86 N \nATOM 2877 HA ARG A 182 2.837 -7.938 40.060 1.00 0.16 H \nATOM 2878 HB2 ARG A 182 1.559 -8.041 42.214 1.00 0.03 H \nATOM 2879 HB3 ARG A 182 0.964 -6.371 41.928 1.00 0.03 H \nATOM 2880 HG2 ARG A 182 -0.293 -7.067 39.997 1.00 0.03 H \nATOM 2881 HG3 ARG A 182 0.453 -8.701 40.030 1.00 0.03 H \nATOM 2882 HD2 ARG A 182 -1.883 -8.698 40.874 1.00 0.07 H \nATOM 2883 HD3 ARG A 182 -0.702 -9.227 42.120 1.00 0.07 H \nATOM 2884 HE ARG A 182 -1.116 -7.272 43.367 1.00 0.35 H \nATOM 2885 HH12 ARG A 182 -3.890 -5.731 40.790 1.00 0.45 H \nATOM 2886 HH11 ARG A 182 -2.883 -7.098 40.241 1.00 0.45 H \nATOM 2887 HH22 ARG A 182 -3.628 -4.871 42.895 1.00 0.45 H \nATOM 2888 HH21 ARG A 182 -2.416 -5.557 44.010 1.00 0.45 H \nATOM 2889 H ARG A 182 3.446 -6.317 42.370 1.00 0.27 H \nATOM 2890 N GLU A 183 2.160 -4.707 39.932 1.00 -0.52 N \nATOM 2891 CA GLU A 183 1.807 -3.553 39.094 1.00 0.04 C \nATOM 2892 C GLU A 183 2.872 -2.460 39.205 1.00 0.54 C \nATOM 2893 O GLU A 183 3.509 -2.283 40.231 1.00 -0.58 O \nATOM 2894 CB GLU A 183 0.451 -2.933 39.520 1.00 0.06 C \nATOM 2895 CG GLU A 183 -0.759 -3.813 39.309 1.00 0.01 C \nATOM 2896 CD GLU A 183 -2.061 -3.030 39.518 1.00 0.81 C \nATOM 2897 OE1 GLU A 183 -2.243 -2.445 40.614 1.00 -0.82 O \nATOM 2898 OE2 GLU A 183 -2.847 -2.966 38.567 1.00 -0.82 O \nATOM 2899 HA GLU A 183 1.737 -3.888 38.049 1.00 0.11 H \nATOM 2900 HB2 GLU A 183 0.511 -2.689 40.591 1.00 -0.02 H \nATOM 2901 HB3 GLU A 183 0.304 -2.009 38.941 1.00 -0.02 H \nATOM 2902 HG2 GLU A 183 -0.740 -4.209 38.283 1.00 -0.04 H \nATOM 2903 HG3 GLU A 183 -0.724 -4.648 40.025 1.00 -0.04 H \nATOM 2904 H GLU A 183 2.423 -4.531 40.881 1.00 0.29 H \nATOM 2905 N PHE A 184 3.031 -1.683 38.152 1.00 -0.42 N \nATOM 2906 CA PHE A 184 4.065 -0.645 38.167 1.00 -0.00 C \nATOM 2907 C PHE A 184 3.716 0.424 37.123 1.00 0.60 C \nATOM 2908 O PHE A 184 3.008 0.159 36.139 1.00 -0.57 O \nATOM 2909 CB PHE A 184 5.447 -1.299 37.933 1.00 -0.03 C \nATOM 2910 CG PHE A 184 5.452 -2.361 36.837 1.00 0.01 C \nATOM 2911 CD1 PHE A 184 5.641 -2.000 35.492 1.00 -0.13 C \nATOM 2912 CD2 PHE A 184 5.256 -3.684 37.136 1.00 -0.13 C \nATOM 2913 CE1 PHE A 184 5.619 -2.949 34.487 1.00 -0.17 C \nATOM 2914 CE2 PHE A 184 5.236 -4.658 36.144 1.00 -0.17 C \nATOM 2915 CZ PHE A 184 5.425 -4.298 34.807 1.00 -0.11 C \nATOM 2916 HA PHE A 184 4.076 -0.166 39.157 1.00 0.10 H \nATOM 2917 HB2 PHE A 184 6.161 -0.510 37.654 1.00 0.03 H \nATOM 2918 HB3 PHE A 184 5.771 -1.770 38.873 1.00 0.03 H \nATOM 2919 HD2 PHE A 184 5.113 -3.978 38.170 1.00 0.13 H \nATOM 2920 HE2 PHE A 184 5.074 -5.697 36.408 1.00 0.14 H \nATOM 2921 HZ PHE A 184 5.421 -5.053 34.029 1.00 0.13 H \nATOM 2922 HE1 PHE A 184 5.752 -2.649 33.454 1.00 0.14 H \nATOM 2923 HD1 PHE A 184 5.807 -0.959 35.238 1.00 0.13 H \nATOM 2924 H PHE A 184 2.449 -1.801 37.347 1.00 0.27 H \nATOM 2925 N HIS A 185 4.215 1.632 37.340 1.00 -0.42 N \nATOM 2926 CA HIS A 185 4.084 2.709 36.389 1.00 0.02 C \nATOM 2927 C HIS A 185 4.979 2.484 35.141 1.00 0.60 C \nATOM 2928 O HIS A 185 6.147 2.125 35.266 1.00 -0.57 O \nATOM 2929 CB HIS A 185 4.487 4.028 37.073 1.00 -0.05 C \nATOM 2930 CG HIS A 185 3.502 4.506 38.094 1.00 -0.03 C \nATOM 2931 ND1 HIS A 185 2.297 5.083 37.751 1.00 -0.38 N \nATOM 2932 CD2 HIS A 185 3.550 4.500 39.451 1.00 0.13 C \nATOM 2933 CE1 HIS A 185 1.654 5.414 38.857 1.00 0.21 C \nATOM 2934 NE2 HIS A 185 2.405 5.088 39.898 1.00 -0.57 N \nATOM 2935 HA HIS A 185 3.035 2.772 36.065 1.00 0.09 H \nATOM 2936 HB2 HIS A 185 5.457 3.878 37.570 1.00 0.04 H \nATOM 2937 HB3 HIS A 185 4.588 4.803 36.299 1.00 0.04 H \nATOM 2938 HD2 HIS A 185 4.354 4.100 40.067 1.00 0.11 H \nATOM 2939 HE1 HIS A 185 0.670 5.878 38.905 1.00 0.14 H \nATOM 2940 HD1 HIS A 185 1.955 5.231 36.791 1.00 0.36 H \nATOM 2941 H HIS A 185 4.702 1.804 38.197 1.00 0.27 H \nATOM 2942 N ALA A 186 4.438 2.783 33.949 1.00 -0.42 N \nATOM 2943 CA ALA A 186 5.145 2.565 32.708 1.00 0.03 C \nATOM 2944 C ALA A 186 6.356 3.493 32.524 1.00 0.60 C \nATOM 2945 O ALA A 186 7.415 3.035 32.091 1.00 -0.57 O \nATOM 2946 CB ALA A 186 4.192 2.730 31.533 1.00 -0.18 C \nATOM 2947 HA ALA A 186 5.515 1.529 32.712 1.00 0.08 H \nATOM 2948 HB1 ALA A 186 4.737 2.563 30.592 1.00 0.06 H \nATOM 2949 HB2 ALA A 186 3.375 1.999 31.618 1.00 0.06 H \nATOM 2950 HB3 ALA A 186 3.775 3.748 31.539 1.00 0.06 H \nATOM 2951 H ALA A 186 3.516 3.169 33.919 1.00 0.27 H \nATOM 2952 N GLU A 187 6.221 4.790 32.835 1.00 -0.52 N \nATOM 2953 CA GLU A 187 7.257 5.703 32.409 1.00 0.04 C \nATOM 2954 C GLU A 187 8.639 5.469 33.097 1.00 0.54 C \nATOM 2955 O GLU A 187 9.673 5.492 32.418 1.00 -0.58 O \nATOM 2956 CB GLU A 187 6.765 7.145 32.555 1.00 0.06 C \nATOM 2957 CG GLU A 187 5.597 7.544 31.636 1.00 0.01 C \nATOM 2958 CD GLU A 187 4.965 8.835 32.117 1.00 0.81 C \nATOM 2959 OE1 GLU A 187 5.297 9.906 31.582 1.00 -0.82 O \nATOM 2960 OE2 GLU A 187 4.231 8.769 33.126 1.00 -0.82 O \nATOM 2961 HA GLU A 187 7.415 5.523 31.335 1.00 0.11 H \nATOM 2962 HB2 GLU A 187 6.441 7.288 33.596 1.00 -0.02 H \nATOM 2963 HB3 GLU A 187 7.610 7.815 32.339 1.00 -0.02 H \nATOM 2964 HG2 GLU A 187 5.973 7.684 30.612 1.00 -0.04 H \nATOM 2965 HG3 GLU A 187 4.841 6.745 31.643 1.00 -0.04 H \nATOM 2966 H GLU A 187 5.426 5.116 33.347 1.00 0.29 H \nATOM 2967 N PRO A 188 8.696 5.243 34.411 1.00 -0.25 N \nATOM 2968 CA PRO A 188 9.985 4.955 35.059 1.00 -0.03 C \nATOM 2969 C PRO A 188 10.696 3.706 34.523 1.00 0.59 C \nATOM 2970 O PRO A 188 11.904 3.648 34.564 1.00 -0.57 O \nATOM 2971 CB PRO A 188 9.615 4.787 36.562 1.00 -0.01 C \nATOM 2972 CG PRO A 188 8.280 5.589 36.694 1.00 0.02 C \nATOM 2973 CD PRO A 188 7.590 5.295 35.380 1.00 0.02 C \nATOM 2974 HA PRO A 188 10.660 5.814 34.929 1.00 0.06 H \nATOM 2975 HD3 PRO A 188 6.880 6.094 35.122 1.00 0.04 H \nATOM 2976 HD2 PRO A 188 7.059 4.332 35.422 1.00 0.04 H \nATOM 2977 HG3 PRO A 188 8.473 6.666 36.810 1.00 0.02 H \nATOM 2978 HG2 PRO A 188 7.683 5.230 37.545 1.00 0.02 H \nATOM 2979 HB2 PRO A 188 9.465 3.727 36.815 1.00 0.03 H \nATOM 2980 HB3 PRO A 188 10.396 5.212 37.210 1.00 0.03 H \nATOM 2981 N VAL A 189 9.959 2.748 33.999 1.00 -0.42 N \nATOM 2982 CA VAL A 189 10.543 1.566 33.411 1.00 -0.09 C \nATOM 2983 C VAL A 189 11.318 1.953 32.137 1.00 0.60 C \nATOM 2984 O VAL A 189 12.472 1.509 31.916 1.00 -0.57 O \nATOM 2985 CB VAL A 189 9.458 0.502 33.117 1.00 0.30 C \nATOM 2986 CG1 VAL A 189 10.025 -0.703 32.386 1.00 -0.32 C \nATOM 2987 CG2 VAL A 189 8.727 0.051 34.375 1.00 -0.32 C \nATOM 2988 HA VAL A 189 11.255 1.136 34.130 1.00 0.10 H \nATOM 2989 HB VAL A 189 8.716 0.972 32.455 1.00 -0.03 H \nATOM 2990 HG11 VAL A 189 10.814 -1.165 32.998 1.00 0.08 H \nATOM 2991 HG12 VAL A 189 9.223 -1.435 32.208 1.00 0.08 H \nATOM 2992 HG13 VAL A 189 10.449 -0.382 31.423 1.00 0.08 H \nATOM 2993 HG21 VAL A 189 8.243 0.918 34.849 1.00 0.08 H \nATOM 2994 HG22 VAL A 189 7.963 -0.694 34.108 1.00 0.08 H \nATOM 2995 HG23 VAL A 189 9.446 -0.396 35.077 1.00 0.08 H \nATOM 2996 H VAL A 189 8.964 2.843 34.009 1.00 0.27 H \nATOM 2997 N ASP A 190 10.725 2.779 31.292 1.00 -0.52 N \nATOM 2998 CA ASP A 190 11.459 3.253 30.101 1.00 0.04 C \nATOM 2999 C ASP A 190 12.621 4.150 30.466 1.00 0.54 C \nATOM 3000 O ASP A 190 13.644 4.105 29.824 1.00 -0.58 O \nATOM 3001 CB ASP A 190 10.564 3.983 29.086 1.00 -0.03 C \nATOM 3002 CG ASP A 190 9.641 3.073 28.340 1.00 0.80 C \nATOM 3003 OD1 ASP A 190 9.935 1.859 28.088 1.00 -0.80 O \nATOM 3004 OD2 ASP A 190 8.587 3.557 27.876 1.00 -0.80 O \nATOM 3005 HA ASP A 190 11.867 2.362 29.602 1.00 0.09 H \nATOM 3006 HB2 ASP A 190 9.959 4.726 29.627 1.00 -0.01 H \nATOM 3007 HB3 ASP A 190 11.210 4.496 28.358 1.00 -0.01 H \nATOM 3008 H ASP A 190 9.786 3.081 31.458 1.00 0.29 H \nATOM 3009 N VAL A 191 12.493 4.949 31.522 1.00 -0.42 N \nATOM 3010 CA VAL A 191 13.602 5.758 31.988 1.00 -0.09 C \nATOM 3011 C VAL A 191 14.824 4.892 32.417 1.00 0.60 C \nATOM 3012 O VAL A 191 16.004 5.185 32.065 1.00 -0.57 O \nATOM 3013 CB VAL A 191 13.152 6.689 33.170 1.00 0.30 C \nATOM 3014 CG1 VAL A 191 14.360 7.304 33.894 1.00 -0.32 C \nATOM 3015 CG2 VAL A 191 12.217 7.775 32.655 1.00 -0.32 C \nATOM 3016 HA VAL A 191 13.922 6.398 31.153 1.00 0.10 H \nATOM 3017 HB VAL A 191 12.599 6.075 33.896 1.00 -0.03 H \nATOM 3018 HG11 VAL A 191 14.953 7.895 33.181 1.00 0.08 H \nATOM 3019 HG12 VAL A 191 14.007 7.956 34.707 1.00 0.08 H \nATOM 3020 HG13 VAL A 191 14.984 6.501 34.313 1.00 0.08 H \nATOM 3021 HG21 VAL A 191 11.333 7.310 32.195 1.00 0.08 H \nATOM 3022 HG22 VAL A 191 11.901 8.414 33.493 1.00 0.08 H \nATOM 3023 HG23 VAL A 191 12.742 8.386 31.906 1.00 0.08 H \nATOM 3024 H VAL A 191 11.617 4.992 32.002 1.00 0.27 H \nATOM 3025 N TRP A 192 14.516 3.830 33.161 1.00 -0.42 N \nATOM 3026 CA TRP A 192 15.539 2.907 33.624 1.00 -0.03 C \nATOM 3027 C TRP A 192 16.307 2.339 32.448 1.00 0.60 C \nATOM 3028 O TRP A 192 17.530 2.369 32.442 1.00 -0.57 O \nATOM 3029 CB TRP A 192 14.900 1.792 34.456 1.00 -0.01 C \nATOM 3030 CG TRP A 192 15.867 0.820 34.937 1.00 -0.14 C \nATOM 3031 CD1 TRP A 192 16.420 -0.177 34.217 1.00 -0.16 C \nATOM 3032 CD2 TRP A 192 16.456 0.735 36.251 1.00 0.12 C \nATOM 3033 NE1 TRP A 192 17.302 -0.882 34.987 1.00 -0.34 N \nATOM 3034 CE2 TRP A 192 17.343 -0.353 36.238 1.00 0.14 C \nATOM 3035 CE3 TRP A 192 16.304 1.449 37.431 1.00 -0.24 C \nATOM 3036 CZ2 TRP A 192 18.086 -0.753 37.368 1.00 -0.26 C \nATOM 3037 CZ3 TRP A 192 17.054 1.067 38.557 1.00 -0.20 C \nATOM 3038 CH2 TRP A 192 17.912 -0.036 38.519 1.00 -0.11 C \nATOM 3039 HA TRP A 192 16.244 3.458 34.264 1.00 0.11 H \nATOM 3040 HB2 TRP A 192 14.397 2.245 35.323 1.00 0.03 H \nATOM 3041 HB3 TRP A 192 14.158 1.270 33.833 1.00 0.03 H \nATOM 3042 HE1 TRP A 192 17.852 -1.692 34.667 1.00 0.34 H \nATOM 3043 HD1 TRP A 192 16.196 -0.390 33.173 1.00 0.21 H \nATOM 3044 HZ2 TRP A 192 18.768 -1.595 37.326 1.00 0.16 H \nATOM 3045 HH2 TRP A 192 18.447 -0.327 39.415 1.00 0.14 H \nATOM 3046 HZ3 TRP A 192 16.965 1.639 39.473 1.00 0.14 H \nATOM 3047 HE3 TRP A 192 15.619 2.287 37.484 1.00 0.17 H \nATOM 3048 H TRP A 192 13.561 3.665 33.406 1.00 0.27 H \nATOM 3049 N SER A 193 15.593 1.750 31.485 1.00 -0.42 N \nATOM 3050 CA SER A 193 16.238 1.139 30.295 1.00 -0.02 C \nATOM 3051 C SER A 193 17.115 2.125 29.512 1.00 0.60 C \nATOM 3052 O SER A 193 18.175 1.768 29.015 1.00 -0.57 O \nATOM 3053 CB SER A 193 15.203 0.482 29.378 1.00 0.21 C \nATOM 3054 OG SER A 193 14.183 1.361 28.984 1.00 -0.65 O \nATOM 3055 HA SER A 193 16.901 0.343 30.664 1.00 0.08 H \nATOM 3056 HB2 SER A 193 15.716 0.114 28.477 1.00 0.04 H \nATOM 3057 HB3 SER A 193 14.749 -0.365 29.913 1.00 0.04 H \nATOM 3058 HG SER A 193 13.571 0.903 28.419 1.00 0.43 H \nATOM 3059 H SER A 193 14.597 1.720 31.568 1.00 0.27 H \nATOM 3060 N CYS A 194 16.680 3.370 29.421 1.00 -0.42 N \nATOM 3061 CA CYS A 194 17.498 4.443 28.842 1.00 0.02 C \nATOM 3062 C CYS A 194 18.780 4.642 29.628 1.00 0.60 C \nATOM 3063 O CYS A 194 19.799 4.927 29.048 1.00 -0.57 O \nATOM 3064 CB CYS A 194 16.715 5.767 28.784 1.00 -0.12 C \nATOM 3065 SG CYS A 194 15.368 5.823 27.574 1.00 -0.31 S \nATOM 3066 HA CYS A 194 17.764 4.152 27.815 1.00 0.11 H \nATOM 3067 HB2 CYS A 194 16.284 5.950 29.779 1.00 0.11 H \nATOM 3068 HB3 CYS A 194 17.425 6.570 28.538 1.00 0.11 H \nATOM 3069 HG CYS A 194 14.919 6.725 27.612 1.00 0.19 H \nATOM 3070 H CYS A 194 15.764 3.588 29.757 1.00 0.27 H \nATOM 3071 N GLY A 195 18.725 4.527 30.954 1.00 -0.42 N \nATOM 3072 CA GLY A 195 19.922 4.556 31.780 1.00 -0.03 C \nATOM 3073 C GLY A 195 20.903 3.409 31.531 1.00 0.60 C \nATOM 3074 O GLY A 195 22.126 3.584 31.528 1.00 -0.57 O \nATOM 3075 HA3 GLY A 195 20.447 5.503 31.588 1.00 0.07 H \nATOM 3076 HA2 GLY A 195 19.611 4.517 32.834 1.00 0.07 H \nATOM 3077 H GLY A 195 17.834 4.417 31.395 1.00 0.27 H \nATOM 3078 N ILE A 196 20.367 2.231 31.297 1.00 -0.42 N \nATOM 3079 CA ILE A 196 21.226 1.082 31.004 1.00 -0.06 C \nATOM 3080 C ILE A 196 21.830 1.299 29.608 1.00 0.60 C \nATOM 3081 O ILE A 196 22.998 0.997 29.381 1.00 -0.57 O \nATOM 3082 CB ILE A 196 20.411 -0.246 31.053 1.00 0.13 C \nATOM 3083 CG1 ILE A 196 19.788 -0.494 32.418 1.00 -0.04 C \nATOM 3084 CG2 ILE A 196 21.288 -1.451 30.624 1.00 -0.32 C \nATOM 3085 CD1 ILE A 196 20.817 -0.727 33.591 1.00 -0.07 C \nATOM 3086 HA ILE A 196 22.034 1.030 31.749 1.00 0.09 H \nATOM 3087 HB ILE A 196 19.589 -0.154 30.327 1.00 0.02 H \nATOM 3088 HG12 ILE A 196 19.171 0.380 32.675 1.00 0.02 H \nATOM 3089 HG13 ILE A 196 19.148 -1.386 32.344 1.00 0.02 H \nATOM 3090 HD11 ILE A 196 21.467 0.155 33.689 1.00 0.02 H \nATOM 3091 HD12 ILE A 196 20.270 -0.886 34.532 1.00 0.02 H \nATOM 3092 HD13 ILE A 196 21.431 -1.612 33.370 1.00 0.02 H \nATOM 3093 HG21 ILE A 196 22.153 -1.533 31.298 1.00 0.09 H \nATOM 3094 HG22 ILE A 196 20.693 -2.375 30.677 1.00 0.09 H \nATOM 3095 HG23 ILE A 196 21.639 -1.300 29.593 1.00 0.09 H \nATOM 3096 H ILE A 196 19.373 2.120 31.319 1.00 0.27 H \nATOM 3097 N VAL A 197 21.039 1.843 28.685 1.00 -0.42 N \nATOM 3098 CA VAL A 197 21.570 2.174 27.364 1.00 -0.09 C \nATOM 3099 C VAL A 197 22.724 3.202 27.495 1.00 0.60 C \nATOM 3100 O VAL A 197 23.786 3.044 26.862 1.00 -0.57 O \nATOM 3101 CB VAL A 197 20.457 2.679 26.388 1.00 0.30 C \nATOM 3102 CG1 VAL A 197 21.058 3.349 25.167 1.00 -0.32 C \nATOM 3103 CG2 VAL A 197 19.592 1.519 25.933 1.00 -0.32 C \nATOM 3104 HA VAL A 197 21.989 1.253 26.934 1.00 0.10 H \nATOM 3105 HB VAL A 197 19.829 3.408 26.920 1.00 -0.03 H \nATOM 3106 HG11 VAL A 197 21.703 2.633 24.636 1.00 0.08 H \nATOM 3107 HG12 VAL A 197 20.251 3.683 24.498 1.00 0.08 H \nATOM 3108 HG13 VAL A 197 21.656 4.217 25.482 1.00 0.08 H \nATOM 3109 HG21 VAL A 197 19.126 1.044 26.809 1.00 0.08 H \nATOM 3110 HG22 VAL A 197 18.808 1.890 25.256 1.00 0.08 H \nATOM 3111 HG23 VAL A 197 20.215 0.782 25.404 1.00 0.08 H \nATOM 3112 H VAL A 197 20.079 2.026 28.896 1.00 0.27 H \nATOM 3113 N LEU A 198 22.538 4.239 28.311 1.00 -0.42 N \nATOM 3114 CA LEU A 198 23.606 5.230 28.537 1.00 -0.05 C \nATOM 3115 C LEU A 198 24.894 4.604 29.119 1.00 0.60 C \nATOM 3116 O LEU A 198 26.004 4.924 28.689 1.00 -0.57 O \nATOM 3117 CB LEU A 198 23.132 6.321 29.489 1.00 -0.11 C \nATOM 3118 CG LEU A 198 24.057 7.495 29.810 1.00 0.35 C \nATOM 3119 CD1 LEU A 198 24.660 8.068 28.520 1.00 -0.41 C \nATOM 3120 CD2 LEU A 198 23.302 8.629 30.647 1.00 -0.41 C \nATOM 3121 HA LEU A 198 23.852 5.688 27.568 1.00 0.09 H \nATOM 3122 HB2 LEU A 198 22.214 6.746 29.057 1.00 0.05 H \nATOM 3123 HB3 LEU A 198 22.894 5.831 30.445 1.00 0.05 H \nATOM 3124 HG LEU A 198 24.882 7.115 30.430 1.00 -0.04 H \nATOM 3125 HD21 LEU A 198 22.930 8.202 31.590 1.00 0.10 H \nATOM 3126 HD22 LEU A 198 24.001 9.449 30.867 1.00 0.10 H \nATOM 3127 HD23 LEU A 198 22.456 9.016 30.060 1.00 0.10 H \nATOM 3128 HD11 LEU A 198 23.851 8.409 27.857 1.00 0.10 H \nATOM 3129 HD12 LEU A 198 25.314 8.917 28.767 1.00 0.10 H \nATOM 3130 HD13 LEU A 198 25.247 7.289 28.012 1.00 0.10 H \nATOM 3131 H LEU A 198 21.660 4.347 28.777 1.00 0.27 H \nATOM 3132 N THR A 199 24.724 3.741 30.121 1.00 -0.42 N \nATOM 3133 CA THR A 199 25.821 3.004 30.733 1.00 -0.04 C \nATOM 3134 C THR A 199 26.602 2.227 29.665 1.00 0.60 C \nATOM 3135 O THR A 199 27.831 2.353 29.555 1.00 -0.57 O \nATOM 3136 CB THR A 199 25.268 2.034 31.779 1.00 0.37 C \nATOM 3137 OG1 THR A 199 24.565 2.742 32.808 1.00 -0.68 O \nATOM 3138 CG2 THR A 199 26.439 1.337 32.491 1.00 -0.24 C \nATOM 3139 HA THR A 199 26.500 3.716 31.225 1.00 0.10 H \nATOM 3140 HB THR A 199 24.608 1.299 31.295 1.00 0.00 H \nATOM 3141 HG1 THR A 199 24.230 2.123 33.446 1.00 0.41 H \nATOM 3142 HG23 THR A 199 26.601 0.344 32.045 1.00 0.06 H \nATOM 3143 HG21 THR A 199 27.350 1.943 32.377 1.00 0.06 H \nATOM 3144 HG22 THR A 199 26.204 1.225 33.560 1.00 0.06 H \nATOM 3145 H THR A 199 23.798 3.593 30.469 1.00 0.27 H \nATOM 3146 N ALA A 200 25.865 1.500 28.829 1.00 -0.42 N \nATOM 3147 CA ALA A 200 26.446 0.739 27.721 1.00 0.03 C \nATOM 3148 C ALA A 200 27.251 1.614 26.756 1.00 0.60 C \nATOM 3149 O ALA A 200 28.371 1.237 26.370 1.00 -0.57 O \nATOM 3150 CB ALA A 200 25.379 -0.013 26.965 1.00 -0.18 C \nATOM 3151 HA ALA A 200 27.137 0.002 28.156 1.00 0.08 H \nATOM 3152 HB1 ALA A 200 25.841 -0.575 26.140 1.00 0.06 H \nATOM 3153 HB2 ALA A 200 24.871 -0.712 27.646 1.00 0.06 H \nATOM 3154 HB3 ALA A 200 24.647 0.700 26.558 1.00 0.06 H \nATOM 3155 H ALA A 200 24.874 1.472 28.963 1.00 0.27 H \nATOM 3156 N MET A 201 26.689 2.770 26.367 1.00 -0.42 N \nATOM 3157 CA MET A 201 27.370 3.683 25.456 1.00 -0.02 C \nATOM 3158 C MET A 201 28.651 4.220 26.068 1.00 0.60 C \nATOM 3159 O MET A 201 29.585 4.510 25.335 1.00 -0.57 O \nATOM 3160 CB MET A 201 26.488 4.891 25.059 1.00 0.03 C \nATOM 3161 CG MET A 201 25.240 4.509 24.233 1.00 0.00 C \nATOM 3162 SD MET A 201 24.450 5.956 23.445 1.00 -0.27 S \nATOM 3163 CE MET A 201 23.776 6.811 24.927 1.00 -0.05 C \nATOM 3164 HA MET A 201 27.623 3.122 24.544 1.00 0.09 H \nATOM 3165 HB2 MET A 201 26.154 5.394 25.979 1.00 0.02 H \nATOM 3166 HB3 MET A 201 27.099 5.585 24.463 1.00 0.02 H \nATOM 3167 HG2 MET A 201 25.541 3.800 23.447 1.00 0.04 H \nATOM 3168 HG3 MET A 201 24.509 4.028 24.900 1.00 0.04 H \nATOM 3169 HE1 MET A 201 24.599 7.061 25.612 1.00 0.07 H \nATOM 3170 HE2 MET A 201 23.264 7.734 24.617 1.00 0.07 H \nATOM 3171 HE3 MET A 201 23.061 6.149 25.439 1.00 0.07 H \nATOM 3172 H MET A 201 25.781 3.011 26.710 1.00 0.27 H \nATOM 3173 N LEU A 202 28.672 4.432 27.384 1.00 -0.42 N \nATOM 3174 CA LEU A 202 29.820 5.053 28.025 1.00 -0.05 C \nATOM 3175 C LEU A 202 30.895 4.074 28.531 1.00 0.60 C \nATOM 3176 O LEU A 202 32.015 4.498 28.850 1.00 -0.57 O \nATOM 3177 CB LEU A 202 29.377 5.944 29.172 1.00 -0.11 C \nATOM 3178 CG LEU A 202 28.594 7.219 28.744 1.00 0.35 C \nATOM 3179 CD1 LEU A 202 28.162 7.972 29.905 1.00 -0.41 C \nATOM 3180 CD2 LEU A 202 29.405 8.101 27.864 1.00 -0.41 C \nATOM 3181 HA LEU A 202 30.298 5.691 27.267 1.00 0.09 H \nATOM 3182 HB2 LEU A 202 28.730 5.351 29.835 1.00 0.05 H \nATOM 3183 HB3 LEU A 202 30.274 6.262 29.724 1.00 0.05 H \nATOM 3184 HG LEU A 202 27.703 6.898 28.184 1.00 -0.04 H \nATOM 3185 HD21 LEU A 202 29.698 7.548 26.959 1.00 0.10 H \nATOM 3186 HD22 LEU A 202 28.810 8.981 27.579 1.00 0.10 H \nATOM 3187 HD23 LEU A 202 30.307 8.427 28.403 1.00 0.10 H \nATOM 3188 HD11 LEU A 202 29.040 8.267 30.498 1.00 0.10 H \nATOM 3189 HD12 LEU A 202 27.621 8.872 29.578 1.00 0.10 H \nATOM 3190 HD13 LEU A 202 27.497 7.348 30.520 1.00 0.10 H \nATOM 3191 H LEU A 202 27.886 4.160 27.939 1.00 0.27 H \nATOM 3192 N ALA A 203 30.567 2.787 28.611 1.00 -0.42 N \nATOM 3193 CA ALA A 203 31.453 1.771 29.215 1.00 0.03 C \nATOM 3194 C ALA A 203 31.639 0.545 28.341 1.00 0.60 C \nATOM 3195 O ALA A 203 32.586 -0.211 28.532 1.00 -0.57 O \nATOM 3196 CB ALA A 203 30.940 1.353 30.581 1.00 -0.18 C \nATOM 3197 HA ALA A 203 32.441 2.236 29.350 1.00 0.08 H \nATOM 3198 HB1 ALA A 203 31.614 0.597 31.011 1.00 0.06 H \nATOM 3199 HB2 ALA A 203 30.903 2.231 31.243 1.00 0.06 H \nATOM 3200 HB3 ALA A 203 29.931 0.928 30.479 1.00 0.06 H \nATOM 3201 H ALA A 203 29.683 2.495 28.247 1.00 0.27 H \nATOM 3202 N GLY A 204 30.776 0.377 27.345 1.00 -0.42 N \nATOM 3203 CA GLY A 204 30.851 -0.741 26.445 1.00 -0.03 C \nATOM 3204 C GLY A 204 30.543 -2.045 27.118 1.00 0.60 C \nATOM 3205 O GLY A 204 30.975 -3.108 26.663 1.00 -0.57 O \nATOM 3206 HA3 GLY A 204 30.129 -0.586 25.630 1.00 0.07 H \nATOM 3207 HA2 GLY A 204 31.868 -0.791 26.029 1.00 0.07 H \nATOM 3208 H GLY A 204 30.049 1.052 27.217 1.00 0.27 H \nATOM 3209 N GLU A 205 29.800 -1.980 28.210 1.00 -0.52 N \nATOM 3210 CA GLU A 205 29.407 -3.186 28.915 1.00 0.04 C \nATOM 3211 C GLU A 205 28.142 -2.887 29.711 1.00 0.54 C \nATOM 3212 O GLU A 205 27.924 -1.759 30.198 1.00 -0.58 O \nATOM 3213 CB GLU A 205 30.562 -3.735 29.817 1.00 0.06 C \nATOM 3214 CG GLU A 205 30.799 -2.933 31.077 1.00 0.01 C \nATOM 3215 CD GLU A 205 31.884 -3.484 32.014 1.00 0.81 C \nATOM 3216 OE1 GLU A 205 31.802 -4.640 32.439 1.00 -0.82 O \nATOM 3217 OE2 GLU A 205 32.789 -2.710 32.389 1.00 -0.82 O \nATOM 3218 HA GLU A 205 29.170 -3.961 28.171 1.00 0.11 H \nATOM 3219 HB2 GLU A 205 30.313 -4.767 30.106 1.00 -0.02 H \nATOM 3220 HB3 GLU A 205 31.491 -3.734 29.227 1.00 -0.02 H \nATOM 3221 HG2 GLU A 205 31.091 -1.915 30.781 1.00 -0.04 H \nATOM 3222 HG3 GLU A 205 29.854 -2.895 31.638 1.00 -0.04 H \nATOM 3223 H GLU A 205 29.505 -1.089 28.554 1.00 0.29 H \nATOM 3224 N LEU A 206 27.342 -3.921 29.866 1.00 -0.42 N \nATOM 3225 CA LEU A 206 26.132 -3.887 30.674 1.00 -0.05 C \nATOM 3226 C LEU A 206 26.489 -4.186 32.133 1.00 0.60 C \nATOM 3227 O LEU A 206 27.332 -5.060 32.412 1.00 -0.57 O \nATOM 3228 CB LEU A 206 25.158 -4.921 30.148 1.00 -0.11 C \nATOM 3229 CG LEU A 206 24.100 -4.565 29.082 1.00 0.35 C \nATOM 3230 CD1 LEU A 206 24.115 -3.186 28.525 1.00 -0.41 C \nATOM 3231 CD2 LEU A 206 24.074 -5.623 27.992 1.00 -0.41 C \nATOM 3232 HA LEU A 206 25.674 -2.889 30.609 1.00 0.09 H \nATOM 3233 HB2 LEU A 206 25.767 -5.732 29.722 1.00 0.05 H \nATOM 3234 HB3 LEU A 206 24.604 -5.298 31.021 1.00 0.05 H \nATOM 3235 HG LEU A 206 23.135 -4.642 29.604 1.00 -0.04 H \nATOM 3236 HD21 LEU A 206 23.835 -6.601 28.436 1.00 0.10 H \nATOM 3237 HD22 LEU A 206 23.309 -5.362 27.246 1.00 0.10 H \nATOM 3238 HD23 LEU A 206 25.059 -5.672 27.506 1.00 0.10 H \nATOM 3239 HD11 LEU A 206 25.089 -2.992 28.052 1.00 0.10 H \nATOM 3240 HD12 LEU A 206 23.316 -3.085 27.775 1.00 0.10 H \nATOM 3241 HD13 LEU A 206 23.951 -2.461 29.336 1.00 0.10 H \nATOM 3242 H LEU A 206 27.578 -4.776 29.404 1.00 0.27 H \nATOM 3243 N PRO A 207 25.862 -3.473 33.071 1.00 -0.25 N \nATOM 3244 CA PRO A 207 26.237 -3.589 34.488 1.00 -0.03 C \nATOM 3245 C PRO A 207 25.802 -4.877 35.191 1.00 0.59 C \nATOM 3246 O PRO A 207 26.457 -5.318 36.102 1.00 -0.57 O \nATOM 3247 CB PRO A 207 25.568 -2.364 35.109 1.00 -0.01 C \nATOM 3248 CG PRO A 207 24.405 -2.086 34.228 1.00 0.02 C \nATOM 3249 CD PRO A 207 24.838 -2.434 32.852 1.00 0.02 C \nATOM 3250 HA PRO A 207 27.330 -3.513 34.581 1.00 0.06 H \nATOM 3251 HD3 PRO A 207 25.267 -1.560 32.341 1.00 0.04 H \nATOM 3252 HD2 PRO A 207 23.997 -2.828 32.262 1.00 0.04 H \nATOM 3253 HG3 PRO A 207 24.129 -1.023 34.284 1.00 0.02 H \nATOM 3254 HG2 PRO A 207 23.545 -2.704 34.525 1.00 0.02 H \nATOM 3255 HB2 PRO A 207 25.235 -2.581 36.135 1.00 0.03 H \nATOM 3256 HB3 PRO A 207 26.259 -1.508 35.121 1.00 0.03 H \nATOM 3257 N TRP A 208 24.709 -5.479 34.781 1.00 -0.42 N \nATOM 3258 CA TRP A 208 24.255 -6.718 35.416 1.00 -0.03 C \nATOM 3259 C TRP A 208 23.356 -7.501 34.453 1.00 0.60 C \nATOM 3260 O TRP A 208 22.801 -6.967 33.487 1.00 -0.57 O \nATOM 3261 CB TRP A 208 23.505 -6.400 36.733 1.00 -0.01 C \nATOM 3262 CG TRP A 208 22.575 -5.224 36.584 1.00 -0.14 C \nATOM 3263 CD1 TRP A 208 21.399 -5.174 35.848 1.00 -0.16 C \nATOM 3264 CD2 TRP A 208 22.754 -3.941 37.124 1.00 0.12 C \nATOM 3265 NE1 TRP A 208 20.868 -3.908 35.903 1.00 -0.34 N \nATOM 3266 CE2 TRP A 208 21.684 -3.128 36.671 1.00 0.14 C \nATOM 3267 CE3 TRP A 208 23.742 -3.350 37.926 1.00 -0.24 C \nATOM 3268 CZ2 TRP A 208 21.560 -1.799 37.032 1.00 -0.26 C \nATOM 3269 CZ3 TRP A 208 23.602 -2.036 38.270 1.00 -0.20 C \nATOM 3270 CH2 TRP A 208 22.510 -1.286 37.856 1.00 -0.11 C \nATOM 3271 HA TRP A 208 25.134 -7.335 35.654 1.00 0.11 H \nATOM 3272 HB2 TRP A 208 22.918 -7.282 37.029 1.00 0.03 H \nATOM 3273 HB3 TRP A 208 24.243 -6.172 37.516 1.00 0.03 H \nATOM 3274 HE1 TRP A 208 20.000 -3.599 35.442 1.00 0.34 H \nATOM 3275 HD1 TRP A 208 20.963 -6.013 35.308 1.00 0.21 H \nATOM 3276 HZ2 TRP A 208 20.738 -1.191 36.672 1.00 0.16 H \nATOM 3277 HH2 TRP A 208 22.413 -0.263 38.200 1.00 0.14 H \nATOM 3278 HZ3 TRP A 208 24.363 -1.566 38.882 1.00 0.14 H \nATOM 3279 HE3 TRP A 208 24.597 -3.924 38.265 1.00 0.17 H \nATOM 3280 H TRP A 208 24.181 -5.087 34.027 1.00 0.27 H \nATOM 3281 N ASP A 209 23.220 -8.791 34.737 1.00 -0.52 N \nATOM 3282 CA ASP A 209 22.341 -9.680 33.979 1.00 0.04 C \nATOM 3283 C ASP A 209 20.878 -9.306 34.230 1.00 0.54 C \nATOM 3284 O ASP A 209 20.016 -9.436 33.364 1.00 -0.58 O \nATOM 3285 CB ASP A 209 22.552 -11.130 34.458 1.00 -0.03 C \nATOM 3286 CG ASP A 209 23.927 -11.672 34.143 1.00 0.80 C \nATOM 3287 OD1 ASP A 209 24.640 -11.124 33.264 1.00 -0.80 O \nATOM 3288 OD2 ASP A 209 24.356 -12.686 34.716 1.00 -0.80 O \nATOM 3289 HA ASP A 209 22.569 -9.600 32.906 1.00 0.09 H \nATOM 3290 HB2 ASP A 209 22.406 -11.162 35.548 1.00 -0.01 H \nATOM 3291 HB3 ASP A 209 21.804 -11.771 33.969 1.00 -0.01 H \nATOM 3292 H ASP A 209 23.741 -9.170 35.502 1.00 0.29 H \nATOM 3293 N GLN A 210 20.614 -8.837 35.434 1.00 -0.42 N \nATOM 3294 CA GLN A 210 19.270 -8.437 35.838 1.00 -0.00 C \nATOM 3295 C GLN A 210 19.359 -7.746 37.181 1.00 0.60 C \nATOM 3296 O GLN A 210 20.247 -8.063 37.971 1.00 -0.57 O \nATOM 3297 CB GLN A 210 18.335 -9.655 35.944 1.00 -0.00 C \nATOM 3298 CG GLN A 210 18.896 -10.788 36.796 1.00 -0.06 C \nATOM 3299 CD GLN A 210 17.918 -11.940 36.894 1.00 0.70 C \nATOM 3300 OE1 GLN A 210 18.104 -12.973 36.266 1.00 -0.61 O \nATOM 3301 NE2 GLN A 210 16.864 -11.750 37.669 1.00 -0.94 N \nATOM 3302 HA GLN A 210 18.862 -7.738 35.093 1.00 0.09 H \nATOM 3303 HB2 GLN A 210 17.384 -9.325 36.388 1.00 0.02 H \nATOM 3304 HB3 GLN A 210 18.152 -10.041 34.930 1.00 0.02 H \nATOM 3305 HG2 GLN A 210 19.830 -11.149 36.342 1.00 0.04 H \nATOM 3306 HG3 GLN A 210 19.103 -10.407 37.807 1.00 0.04 H \nATOM 3307 HE22 GLN A 210 16.183 -12.475 37.773 1.00 0.43 H \nATOM 3308 HE21 GLN A 210 16.748 -10.881 38.151 1.00 0.43 H \nATOM 3309 H GLN A 210 21.361 -8.753 36.093 1.00 0.27 H \nATOM 3310 N PRO A 211 18.477 -6.784 37.446 1.00 -0.25 N \nATOM 3311 CA PRO A 211 18.533 -6.005 38.697 1.00 -0.03 C \nATOM 3312 C PRO A 211 17.719 -6.682 39.803 1.00 0.59 C \nATOM 3313 O PRO A 211 16.661 -6.217 40.214 1.00 -0.57 O \nATOM 3314 CB PRO A 211 17.933 -4.684 38.300 1.00 -0.01 C \nATOM 3315 CG PRO A 211 16.935 -5.040 37.274 1.00 0.02 C \nATOM 3316 CD PRO A 211 17.387 -6.313 36.573 1.00 0.02 C \nATOM 3317 HA PRO A 211 19.572 -5.878 39.036 1.00 0.06 H \nATOM 3318 HD3 PRO A 211 17.754 -6.100 35.558 1.00 0.04 H \nATOM 3319 HD2 PRO A 211 16.572 -7.050 36.521 1.00 0.04 H \nATOM 3320 HG3 PRO A 211 16.851 -4.224 36.541 1.00 0.02 H \nATOM 3321 HG2 PRO A 211 15.958 -5.207 37.751 1.00 0.02 H \nATOM 3322 HB2 PRO A 211 17.452 -4.198 39.162 1.00 0.03 H \nATOM 3323 HB3 PRO A 211 18.701 -4.015 37.883 1.00 0.03 H \nATOM 3324 N SER A 212 18.230 -7.819 40.264 1.00 -0.42 N \nATOM 3325 CA SER A 212 17.589 -8.547 41.346 1.00 -0.02 C \nATOM 3326 C SER A 212 18.519 -8.606 42.546 1.00 0.60 C \nATOM 3327 O SER A 212 19.716 -8.406 42.421 1.00 -0.57 O \nATOM 3328 CB SER A 212 17.202 -9.930 40.876 1.00 0.21 C \nATOM 3329 OG SER A 212 18.344 -10.667 40.539 1.00 -0.65 O \nATOM 3330 HA SER A 212 16.674 -8.011 41.640 1.00 0.08 H \nATOM 3331 HB2 SER A 212 16.660 -10.448 41.681 1.00 0.04 H \nATOM 3332 HB3 SER A 212 16.552 -9.844 39.993 1.00 0.04 H \nATOM 3333 HG SER A 212 18.087 -11.533 40.246 1.00 0.43 H \nATOM 3334 H SER A 212 19.070 -8.180 39.859 1.00 0.27 H \nATOM 3335 N ASP A 213 17.939 -8.854 43.716 1.00 -0.52 N \nATOM 3336 CA ASP A 213 18.703 -9.042 44.960 1.00 0.04 C \nATOM 3337 C ASP A 213 19.742 -10.173 44.862 1.00 0.54 C \nATOM 3338 O ASP A 213 20.812 -10.070 45.457 1.00 -0.58 O \nATOM 3339 CB ASP A 213 17.752 -9.296 46.137 1.00 -0.03 C \nATOM 3340 CG ASP A 213 16.974 -8.050 46.542 1.00 0.80 C \nATOM 3341 OD1 ASP A 213 16.004 -8.202 47.330 1.00 -0.80 O \nATOM 3342 OD2 ASP A 213 17.255 -6.890 46.131 1.00 -0.80 O \nATOM 3343 HA ASP A 213 19.248 -8.107 45.158 1.00 0.09 H \nATOM 3344 HB2 ASP A 213 17.036 -10.080 45.849 1.00 -0.01 H \nATOM 3345 HB3 ASP A 213 18.343 -9.638 47.000 1.00 -0.01 H \nATOM 3346 H ASP A 213 16.942 -8.915 43.753 1.00 0.29 H \nATOM 3347 N SER A 214 19.434 -11.215 44.091 1.00 -0.42 N \nATOM 3348 CA SER A 214 20.354 -12.341 43.821 1.00 -0.02 C \nATOM 3349 C SER A 214 21.524 -12.054 42.857 1.00 0.60 C \nATOM 3350 O SER A 214 22.293 -12.976 42.522 1.00 -0.57 O \nATOM 3351 CB SER A 214 19.557 -13.487 43.192 1.00 0.21 C \nATOM 3352 OG SER A 214 19.217 -13.163 41.836 1.00 -0.65 O \nATOM 3353 HA SER A 214 20.775 -12.666 44.784 1.00 0.08 H \nATOM 3354 HB2 SER A 214 20.165 -14.404 43.206 1.00 0.04 H \nATOM 3355 HB3 SER A 214 18.635 -13.649 43.770 1.00 0.04 H \nATOM 3356 HG SER A 214 18.723 -13.879 41.454 1.00 0.43 H \nATOM 3357 H SER A 214 18.527 -11.237 43.670 1.00 0.27 H \nATOM 3358 N CYS A 215 21.641 -10.821 42.352 1.00 -0.42 N \nATOM 3359 CA CYS A 215 22.674 -10.503 41.366 1.00 0.02 C \nATOM 3360 C CYS A 215 23.745 -9.651 42.028 1.00 0.60 C \nATOM 3361 O CYS A 215 23.488 -8.507 42.379 1.00 -0.57 O \nATOM 3362 CB CYS A 215 22.073 -9.751 40.169 1.00 -0.12 C \nATOM 3363 SG CYS A 215 23.256 -9.410 38.855 1.00 -0.31 S \nATOM 3364 HA CYS A 215 23.127 -11.439 41.007 1.00 0.11 H \nATOM 3365 HB2 CYS A 215 21.257 -10.359 39.752 1.00 0.11 H \nATOM 3366 HB3 CYS A 215 21.669 -8.793 40.529 1.00 0.11 H \nATOM 3367 HG CYS A 215 22.794 -8.917 38.107 1.00 0.19 H \nATOM 3368 H CYS A 215 21.012 -10.105 42.653 1.00 0.27 H \nATOM 3369 N GLN A 216 24.943 -10.212 42.198 1.00 -0.42 N \nATOM 3370 CA GLN A 216 26.041 -9.523 42.897 1.00 -0.00 C \nATOM 3371 C GLN A 216 26.344 -8.142 42.340 1.00 0.60 C \nATOM 3372 O GLN A 216 26.598 -7.215 43.090 1.00 -0.57 O \nATOM 3373 CB GLN A 216 27.351 -10.351 42.835 1.00 -0.00 C \nATOM 3374 CG GLN A 216 28.469 -9.798 43.758 1.00 -0.06 C \nATOM 3375 CD GLN A 216 27.966 -9.581 45.182 1.00 0.70 C \nATOM 3376 OE1 GLN A 216 27.326 -10.479 45.755 1.00 -0.61 O \nATOM 3377 NE2 GLN A 216 28.194 -8.381 45.736 1.00 -0.94 N \nATOM 3378 HA GLN A 216 25.744 -9.411 43.950 1.00 0.09 H \nATOM 3379 HB2 GLN A 216 27.126 -11.384 43.139 1.00 0.02 H \nATOM 3380 HB3 GLN A 216 27.719 -10.346 41.798 1.00 0.02 H \nATOM 3381 HG2 GLN A 216 29.302 -10.516 43.779 1.00 0.04 H \nATOM 3382 HG3 GLN A 216 28.823 -8.838 43.354 1.00 0.04 H \nATOM 3383 HE22 GLN A 216 27.882 -8.193 46.667 1.00 0.43 H \nATOM 3384 HE21 GLN A 216 28.676 -7.674 45.218 1.00 0.43 H \nATOM 3385 H GLN A 216 25.101 -11.132 41.839 1.00 0.27 H \nATOM 3386 N GLU A 217 26.309 -8.005 41.020 1.00 -0.52 N \nATOM 3387 CA GLU A 217 26.748 -6.754 40.381 1.00 0.04 C \nATOM 3388 C GLU A 217 25.704 -5.693 40.680 1.00 0.54 C \nATOM 3389 O GLU A 217 26.033 -4.531 40.854 1.00 -0.58 O \nATOM 3390 CB GLU A 217 26.940 -6.898 38.861 1.00 0.06 C \nATOM 3391 CG GLU A 217 28.158 -7.692 38.447 1.00 0.01 C \nATOM 3392 CD GLU A 217 28.000 -9.169 38.758 1.00 0.81 C \nATOM 3393 OE1 GLU A 217 26.839 -9.690 38.820 1.00 -0.82 O \nATOM 3394 OE2 GLU A 217 29.054 -9.798 38.964 1.00 -0.82 O \nATOM 3395 HA GLU A 217 27.709 -6.451 40.822 1.00 0.11 H \nATOM 3396 HB2 GLU A 217 26.050 -7.397 38.450 1.00 -0.02 H \nATOM 3397 HB3 GLU A 217 27.027 -5.890 38.430 1.00 -0.02 H \nATOM 3398 HG2 GLU A 217 28.311 -7.570 37.365 1.00 -0.04 H \nATOM 3399 HG3 GLU A 217 29.035 -7.306 38.987 1.00 -0.04 H \nATOM 3400 H GLU A 217 25.981 -8.761 40.453 1.00 0.29 H \nATOM 3401 N TYR A 218 24.446 -6.103 40.735 1.00 -0.42 N \nATOM 3402 CA TYR A 218 23.392 -5.173 41.140 1.00 -0.00 C \nATOM 3403 C TYR A 218 23.514 -4.761 42.615 1.00 0.60 C \nATOM 3404 O TYR A 218 23.372 -3.580 42.949 1.00 -0.57 O \nATOM 3405 CB TYR A 218 21.986 -5.715 40.809 1.00 -0.02 C \nATOM 3406 CG TYR A 218 20.916 -4.662 41.083 1.00 -0.00 C \nATOM 3407 CD1 TYR A 218 21.008 -3.382 40.519 1.00 -0.19 C \nATOM 3408 CD2 TYR A 218 19.849 -4.919 41.952 1.00 -0.19 C \nATOM 3409 CE1 TYR A 218 20.093 -2.425 40.780 1.00 -0.23 C \nATOM 3410 CE2 TYR A 218 18.878 -3.924 42.211 1.00 -0.23 C \nATOM 3411 CZ TYR A 218 19.008 -2.707 41.632 1.00 0.32 C \nATOM 3412 OH TYR A 218 18.106 -1.721 41.895 1.00 -0.56 O \nATOM 3413 HA TYR A 218 23.529 -4.259 40.543 1.00 0.09 H \nATOM 3414 HB3 TYR A 218 21.950 -5.997 39.746 1.00 0.03 H \nATOM 3415 HB2 TYR A 218 21.786 -6.601 41.430 1.00 0.03 H \nATOM 3416 HD2 TYR A 218 19.766 -5.888 42.430 1.00 0.17 H \nATOM 3417 HE2 TYR A 218 18.039 -4.133 42.865 1.00 0.17 H \nATOM 3418 HE1 TYR A 218 20.193 -1.442 40.335 1.00 0.17 H \nATOM 3419 HD1 TYR A 218 21.835 -3.155 39.856 1.00 0.17 H \nATOM 3420 HH TYR A 218 18.342 -0.939 41.411 1.00 0.40 H \nATOM 3421 H TYR A 218 24.217 -7.048 40.500 1.00 0.27 H \nATOM 3422 N SER A 219 23.800 -5.717 43.513 1.00 -0.42 N \nATOM 3423 CA SER A 219 24.029 -5.367 44.937 1.00 -0.02 C \nATOM 3424 C SER A 219 25.161 -4.381 45.106 1.00 0.60 C \nATOM 3425 O SER A 219 25.060 -3.475 45.903 1.00 -0.57 O \nATOM 3426 CB SER A 219 24.357 -6.605 45.813 1.00 0.21 C \nATOM 3427 OG SER A 219 23.325 -7.553 45.688 1.00 -0.65 O \nATOM 3428 HA SER A 219 23.105 -4.907 45.317 1.00 0.08 H \nATOM 3429 HB2 SER A 219 25.306 -7.050 45.479 1.00 0.04 H \nATOM 3430 HB3 SER A 219 24.447 -6.297 46.865 1.00 0.04 H \nATOM 3431 HG SER A 219 23.525 -8.311 46.224 1.00 0.43 H \nATOM 3432 H SER A 219 23.859 -6.671 43.220 1.00 0.27 H \nATOM 3433 N ASP A 220 26.244 -4.592 44.369 1.00 -0.52 N \nATOM 3434 CA ASP A 220 27.408 -3.706 44.390 1.00 0.04 C \nATOM 3435 C ASP A 220 27.066 -2.264 44.056 1.00 0.54 C \nATOM 3436 O ASP A 220 27.586 -1.310 44.702 1.00 -0.58 O \nATOM 3437 CB ASP A 220 28.452 -4.198 43.396 1.00 -0.03 C \nATOM 3438 CG ASP A 220 29.172 -5.454 43.888 1.00 0.80 C \nATOM 3439 OD1 ASP A 220 29.909 -6.059 43.095 1.00 -0.80 O \nATOM 3440 OD2 ASP A 220 29.004 -5.887 45.038 1.00 -0.80 O \nATOM 3441 HA ASP A 220 27.838 -3.733 45.402 1.00 0.09 H \nATOM 3442 HB2 ASP A 220 27.953 -4.426 42.442 1.00 -0.01 H \nATOM 3443 HB3 ASP A 220 29.195 -3.402 43.240 1.00 -0.01 H \nATOM 3444 H ASP A 220 26.266 -5.394 43.772 1.00 0.29 H \nATOM 3445 N TRP A 221 26.218 -2.105 43.030 1.00 -0.42 N \nATOM 3446 CA TRP A 221 25.722 -0.790 42.646 1.00 -0.03 C \nATOM 3447 C TRP A 221 24.904 -0.168 43.765 1.00 0.60 C \nATOM 3448 O TRP A 221 25.107 0.990 44.123 1.00 -0.57 O \nATOM 3449 CB TRP A 221 24.849 -0.906 41.377 1.00 -0.01 C \nATOM 3450 CG TRP A 221 24.102 0.336 41.005 1.00 -0.14 C \nATOM 3451 CD1 TRP A 221 22.727 0.523 41.014 1.00 -0.16 C \nATOM 3452 CD2 TRP A 221 24.657 1.571 40.546 1.00 0.12 C \nATOM 3453 NE1 TRP A 221 22.408 1.792 40.580 1.00 -0.34 N \nATOM 3454 CE2 TRP A 221 23.569 2.464 40.289 1.00 0.14 C \nATOM 3455 CE3 TRP A 221 25.954 2.033 40.332 1.00 -0.24 C \nATOM 3456 CZ2 TRP A 221 23.761 3.757 39.816 1.00 -0.26 C \nATOM 3457 CZ3 TRP A 221 26.139 3.336 39.866 1.00 -0.20 C \nATOM 3458 CH2 TRP A 221 25.044 4.177 39.615 1.00 -0.11 C \nATOM 3459 HA TRP A 221 26.582 -0.138 42.431 1.00 0.11 H \nATOM 3460 HB2 TRP A 221 25.505 -1.174 40.536 1.00 0.03 H \nATOM 3461 HB3 TRP A 221 24.115 -1.709 41.540 1.00 0.03 H \nATOM 3462 HE1 TRP A 221 21.455 2.173 40.489 1.00 0.34 H \nATOM 3463 HD1 TRP A 221 22.001 -0.228 41.321 1.00 0.21 H \nATOM 3464 HZ2 TRP A 221 22.920 4.410 39.614 1.00 0.16 H \nATOM 3465 HH2 TRP A 221 25.221 5.183 39.253 1.00 0.14 H \nATOM 3466 HZ3 TRP A 221 27.144 3.704 39.695 1.00 0.14 H \nATOM 3467 HE3 TRP A 221 26.806 1.391 40.524 1.00 0.17 H \nATOM 3468 H TRP A 221 25.919 -2.909 42.516 1.00 0.27 H \nATOM 3469 N LYS A 222 23.949 -0.917 44.294 1.00 -0.35 N \nATOM 3470 CA LYS A 222 23.155 -0.425 45.414 1.00 -0.24 C \nATOM 3471 C LYS A 222 24.015 -0.102 46.650 1.00 0.73 C \nATOM 3472 O LYS A 222 23.644 0.783 47.433 1.00 -0.59 O \nATOM 3473 CB LYS A 222 22.068 -1.407 45.779 1.00 -0.01 C \nATOM 3474 CG LYS A 222 20.980 -1.580 44.704 1.00 0.02 C \nATOM 3475 CD LYS A 222 19.772 -2.327 45.252 1.00 -0.05 C \nATOM 3476 CE LYS A 222 20.132 -3.803 45.496 1.00 -0.01 C \nATOM 3477 NZ LYS A 222 18.963 -4.551 46.032 1.00 -0.39 N \nATOM 3478 HA LYS A 222 22.672 0.509 45.091 1.00 0.14 H \nATOM 3479 HB2 LYS A 222 22.535 -2.387 45.957 1.00 0.04 H \nATOM 3480 HB3 LYS A 222 21.585 -1.058 46.704 1.00 0.04 H \nATOM 3481 HG2 LYS A 222 20.659 -0.587 44.356 1.00 0.01 H \nATOM 3482 HG3 LYS A 222 21.398 -2.147 43.859 1.00 0.01 H \nATOM 3483 HD2 LYS A 222 19.459 -1.867 46.201 1.00 0.06 H \nATOM 3484 HD3 LYS A 222 18.947 -2.268 44.526 1.00 0.06 H \nATOM 3485 HE2 LYS A 222 20.447 -4.259 44.546 1.00 0.11 H \nATOM 3486 HE3 LYS A 222 20.958 -3.858 46.221 1.00 0.11 H \nATOM 3487 HZ1 LYS A 222 18.201 -4.499 45.375 1.00 0.34 H \nATOM 3488 HZ2 LYS A 222 19.218 -5.516 46.175 1.00 0.34 H \nATOM 3489 HZ3 LYS A 222 18.678 -4.145 46.910 1.00 0.34 H \nATOM 3490 H LYS A 222 23.771 -1.828 43.922 1.00 0.27 H \nATOM 3491 N GLU A 223 25.163 -0.765 46.804 1.00 -0.52 N \nATOM 3492 CA GLU A 223 26.147 -0.405 47.862 1.00 0.04 C \nATOM 3493 C GLU A 223 27.156 0.683 47.453 1.00 0.54 C \nATOM 3494 O GLU A 223 28.114 0.973 48.191 1.00 -0.58 O \nATOM 3495 CB GLU A 223 26.927 -1.644 48.282 1.00 0.06 C \nATOM 3496 CG GLU A 223 26.130 -2.703 49.005 1.00 0.01 C \nATOM 3497 CD GLU A 223 27.026 -3.864 49.358 1.00 0.81 C \nATOM 3498 OE1 GLU A 223 27.746 -3.733 50.378 1.00 -0.82 O \nATOM 3499 OE2 GLU A 223 27.063 -4.865 48.591 1.00 -0.82 O \nATOM 3500 HA GLU A 223 25.581 -0.031 48.728 1.00 0.11 H \nATOM 3501 HB2 GLU A 223 27.352 -2.100 47.375 1.00 -0.02 H \nATOM 3502 HB3 GLU A 223 27.742 -1.322 48.946 1.00 -0.02 H \nATOM 3503 HG2 GLU A 223 25.706 -2.276 49.926 1.00 -0.04 H \nATOM 3504 HG3 GLU A 223 25.316 -3.055 48.355 1.00 -0.04 H \nATOM 3505 H GLU A 223 25.369 -1.527 46.190 1.00 0.29 H \nATOM 3506 N LYS A 224 26.992 1.248 46.262 1.00 -0.35 N \nATOM 3507 CA LYS A 224 27.725 2.438 45.824 1.00 -0.24 C \nATOM 3508 C LYS A 224 29.207 2.203 45.556 1.00 0.73 C \nATOM 3509 O LYS A 224 30.026 3.114 45.675 1.00 -0.59 O \nATOM 3510 CB LYS A 224 27.535 3.615 46.802 1.00 -0.01 C \nATOM 3511 CG LYS A 224 26.068 3.970 47.071 1.00 0.02 C \nATOM 3512 CD LYS A 224 25.919 5.043 48.139 1.00 -0.05 C \nATOM 3513 CE LYS A 224 24.488 5.561 48.202 1.00 -0.01 C \nATOM 3514 NZ LYS A 224 24.160 6.328 46.969 1.00 -0.39 N \nATOM 3515 HA LYS A 224 27.278 2.740 44.865 1.00 0.14 H \nATOM 3516 HB2 LYS A 224 28.008 3.350 47.759 1.00 0.04 H \nATOM 3517 HB3 LYS A 224 28.033 4.500 46.380 1.00 0.04 H \nATOM 3518 HG2 LYS A 224 25.616 4.335 46.137 1.00 0.01 H \nATOM 3519 HG3 LYS A 224 25.540 3.064 47.404 1.00 0.01 H \nATOM 3520 HD2 LYS A 224 26.190 4.617 49.116 1.00 0.06 H \nATOM 3521 HD3 LYS A 224 26.594 5.880 47.904 1.00 0.06 H \nATOM 3522 HE2 LYS A 224 23.798 4.709 48.294 1.00 0.11 H \nATOM 3523 HE3 LYS A 224 24.378 6.218 49.078 1.00 0.11 H \nATOM 3524 HZ1 LYS A 224 24.266 5.731 46.164 1.00 0.34 H \nATOM 3525 HZ2 LYS A 224 23.208 6.656 47.021 1.00 0.34 H \nATOM 3526 HZ3 LYS A 224 24.783 7.116 46.888 1.00 0.34 H \nATOM 3527 H LYS A 224 26.333 0.839 45.631 1.00 0.27 H \nATOM 3528 N LYS A 225 29.516 0.991 45.130 1.00 -0.35 N \nATOM 3529 CA LYS A 225 30.868 0.587 44.819 1.00 -0.24 C \nATOM 3530 C LYS A 225 31.259 0.951 43.393 1.00 0.73 C \nATOM 3531 O LYS A 225 31.481 0.082 42.555 1.00 -0.59 O \nATOM 3532 CB LYS A 225 30.980 -0.912 45.035 1.00 -0.01 C \nATOM 3533 CG LYS A 225 30.784 -1.251 46.502 1.00 0.02 C \nATOM 3534 CD LYS A 225 30.236 -2.615 46.684 1.00 -0.05 C \nATOM 3535 CE LYS A 225 31.256 -3.609 47.112 1.00 -0.01 C \nATOM 3536 NZ LYS A 225 30.588 -4.722 47.861 1.00 -0.39 N \nATOM 3537 HA LYS A 225 31.556 1.100 45.507 1.00 0.14 H \nATOM 3538 HB2 LYS A 225 30.210 -1.423 44.439 1.00 0.04 H \nATOM 3539 HB3 LYS A 225 31.976 -1.251 44.715 1.00 0.04 H \nATOM 3540 HG2 LYS A 225 31.755 -1.186 47.015 1.00 0.01 H \nATOM 3541 HG3 LYS A 225 30.086 -0.525 46.945 1.00 0.01 H \nATOM 3542 HD2 LYS A 225 29.446 -2.574 47.449 1.00 0.06 H \nATOM 3543 HD3 LYS A 225 29.804 -2.948 45.729 1.00 0.06 H \nATOM 3544 HE2 LYS A 225 31.764 -4.017 46.226 1.00 0.11 H \nATOM 3545 HE3 LYS A 225 31.994 -3.119 47.765 1.00 0.11 H \nATOM 3546 HZ1 LYS A 225 29.905 -5.165 47.266 1.00 0.34 H \nATOM 3547 HZ2 LYS A 225 31.279 -5.400 48.142 1.00 0.34 H \nATOM 3548 HZ3 LYS A 225 30.130 -4.350 48.678 1.00 0.34 H \nATOM 3549 H LYS A 225 28.781 0.323 45.018 1.00 0.27 H \nATOM 3550 N THR A 226 31.365 2.252 43.137 1.00 -0.42 N \nATOM 3551 CA THR A 226 31.562 2.724 41.767 1.00 -0.04 C \nATOM 3552 C THR A 226 33.032 2.707 41.369 1.00 0.60 C \nATOM 3553 O THR A 226 33.375 3.070 40.241 1.00 -0.57 O \nATOM 3554 CB THR A 226 30.929 4.104 41.565 1.00 0.37 C \nATOM 3555 OG1 THR A 226 31.311 4.997 42.621 1.00 -0.68 O \nATOM 3556 CG2 THR A 226 29.419 4.007 41.677 1.00 -0.24 C \nATOM 3557 HA THR A 226 31.038 2.023 41.101 1.00 0.10 H \nATOM 3558 HB THR A 226 31.225 4.508 40.586 1.00 0.00 H \nATOM 3559 HG1 THR A 226 30.909 5.846 42.478 1.00 0.41 H \nATOM 3560 HG23 THR A 226 28.979 3.958 40.670 1.00 0.06 H \nATOM 3561 HG21 THR A 226 29.150 3.100 42.239 1.00 0.06 H \nATOM 3562 HG22 THR A 226 29.033 4.892 42.204 1.00 0.06 H \nATOM 3563 H THR A 226 31.310 2.912 43.886 1.00 0.27 H \nATOM 3564 N TYR A 227 33.887 2.257 42.297 1.00 -0.42 N \nATOM 3565 CA TYR A 227 35.296 1.978 42.000 1.00 -0.00 C \nATOM 3566 C TYR A 227 35.410 0.724 41.167 1.00 0.60 C \nATOM 3567 O TYR A 227 36.489 0.420 40.685 1.00 -0.57 O \nATOM 3568 CB TYR A 227 36.137 1.829 43.291 1.00 -0.02 C \nATOM 3569 CG TYR A 227 35.603 0.799 44.277 1.00 -0.00 C \nATOM 3570 CD1 TYR A 227 35.918 -0.561 44.145 1.00 -0.19 C \nATOM 3571 CD2 TYR A 227 34.777 1.176 45.332 1.00 -0.19 C \nATOM 3572 CE1 TYR A 227 35.428 -1.502 45.040 1.00 -0.23 C \nATOM 3573 CE2 TYR A 227 34.288 0.225 46.227 1.00 -0.23 C \nATOM 3574 CZ TYR A 227 34.626 -1.101 46.073 1.00 0.32 C \nATOM 3575 OH TYR A 227 34.131 -2.050 46.939 1.00 -0.56 O \nATOM 3576 HA TYR A 227 35.699 2.822 41.421 1.00 0.09 H \nATOM 3577 HB3 TYR A 227 37.157 1.534 43.004 1.00 0.03 H \nATOM 3578 HB2 TYR A 227 36.166 2.805 43.797 1.00 0.03 H \nATOM 3579 HD2 TYR A 227 34.511 2.219 45.459 1.00 0.17 H \nATOM 3580 HE2 TYR A 227 33.643 0.529 47.043 1.00 0.17 H \nATOM 3581 HE1 TYR A 227 35.680 -2.550 44.921 1.00 0.17 H \nATOM 3582 HD1 TYR A 227 36.555 -0.883 43.330 1.00 0.17 H \nATOM 3583 HH TYR A 227 34.461 -2.906 46.693 1.00 0.40 H \nATOM 3584 H TYR A 227 33.552 2.106 43.227 1.00 0.27 H \nATOM 3585 N LEU A 228 34.311 -0.018 41.007 1.00 -0.42 N \nATOM 3586 CA LEU A 228 34.262 -1.166 40.097 1.00 -0.05 C \nATOM 3587 C LEU A 228 33.711 -0.829 38.699 1.00 0.60 C \nATOM 3588 O LEU A 228 33.051 0.197 38.497 1.00 -0.57 O \nATOM 3589 CB LEU A 228 33.375 -2.253 40.705 1.00 -0.11 C \nATOM 3590 CG LEU A 228 33.724 -2.655 42.146 1.00 0.35 C \nATOM 3591 CD1 LEU A 228 32.555 -3.412 42.739 1.00 -0.41 C \nATOM 3592 CD2 LEU A 228 35.007 -3.522 42.161 1.00 -0.41 C \nATOM 3593 HA LEU A 228 35.285 -1.554 39.981 1.00 0.09 H \nATOM 3594 HB2 LEU A 228 32.337 -1.889 40.696 1.00 0.05 H \nATOM 3595 HB3 LEU A 228 33.455 -3.150 40.073 1.00 0.05 H \nATOM 3596 HG LEU A 228 33.903 -1.747 42.741 1.00 -0.04 H \nATOM 3597 HD21 LEU A 228 35.840 -2.952 41.725 1.00 0.10 H \nATOM 3598 HD22 LEU A 228 35.253 -3.795 43.198 1.00 0.10 H \nATOM 3599 HD23 LEU A 228 34.839 -4.435 41.571 1.00 0.10 H \nATOM 3600 HD11 LEU A 228 32.352 -4.307 42.133 1.00 0.10 H \nATOM 3601 HD12 LEU A 228 32.798 -3.714 43.768 1.00 0.10 H \nATOM 3602 HD13 LEU A 228 31.665 -2.765 42.747 1.00 0.10 H \nATOM 3603 H LEU A 228 33.491 0.219 41.528 1.00 0.27 H \nATOM 3604 N ASN A 229 33.941 -1.736 37.759 1.00 -0.42 N \nATOM 3605 CA ASN A 229 33.421 -1.637 36.401 1.00 0.01 C \nATOM 3606 C ASN A 229 31.933 -2.031 36.440 1.00 0.60 C \nATOM 3607 O ASN A 229 31.543 -2.891 37.226 1.00 -0.57 O \nATOM 3608 CB ASN A 229 34.159 -2.604 35.457 1.00 -0.20 C \nATOM 3609 CG ASN A 229 35.531 -2.083 34.989 1.00 0.71 C \nATOM 3610 OD1 ASN A 229 35.758 -0.884 34.903 1.00 -0.59 O \nATOM 3611 ND2 ASN A 229 36.450 -3.010 34.682 1.00 -0.92 N \nATOM 3612 HA ASN A 229 33.533 -0.606 36.034 1.00 0.10 H \nATOM 3613 HB2 ASN A 229 34.311 -3.557 35.985 1.00 0.08 H \nATOM 3614 HB3 ASN A 229 33.530 -2.772 34.570 1.00 0.08 H \nATOM 3615 HD22 ASN A 229 37.359 -2.730 34.372 1.00 0.42 H \nATOM 3616 HD21 ASN A 229 36.227 -3.981 34.763 1.00 0.42 H \nATOM 3617 H ASN A 229 34.501 -2.530 37.995 1.00 0.27 H \nATOM 3618 N PRO A 230 31.085 -1.434 35.612 1.00 -0.25 N \nATOM 3619 CA PRO A 230 31.457 -0.470 34.551 1.00 -0.03 C \nATOM 3620 C PRO A 230 31.671 0.965 35.007 1.00 0.59 C \nATOM 3621 O PRO A 230 32.159 1.806 34.238 1.00 -0.57 O \nATOM 3622 CB PRO A 230 30.234 -0.526 33.633 1.00 -0.01 C \nATOM 3623 CG PRO A 230 29.065 -0.686 34.637 1.00 0.02 C \nATOM 3624 CD PRO A 230 29.624 -1.700 35.651 1.00 0.02 C \nATOM 3625 HA PRO A 230 32.364 -0.813 34.033 1.00 0.06 H \nATOM 3626 HD3 PRO A 230 29.401 -2.732 35.343 1.00 0.04 H \nATOM 3627 HD2 PRO A 230 29.215 -1.521 36.656 1.00 0.04 H \nATOM 3628 HG3 PRO A 230 28.166 -1.078 34.139 1.00 0.02 H \nATOM 3629 HG2 PRO A 230 28.827 0.271 35.124 1.00 0.02 H \nATOM 3630 HB2 PRO A 230 30.132 0.401 33.050 1.00 0.03 H \nATOM 3631 HB3 PRO A 230 30.290 -1.385 32.949 1.00 0.03 H \nATOM 3632 N TRP A 231 31.323 1.246 36.257 1.00 -0.42 N \nATOM 3633 CA TRP A 231 31.172 2.611 36.728 1.00 -0.03 C \nATOM 3634 C TRP A 231 32.504 3.385 36.693 1.00 0.60 C \nATOM 3635 O TRP A 231 32.514 4.599 36.472 1.00 -0.57 O \nATOM 3636 CB TRP A 231 30.549 2.626 38.159 1.00 -0.01 C \nATOM 3637 CG TRP A 231 29.468 1.661 38.263 1.00 -0.14 C \nATOM 3638 CD1 TRP A 231 29.455 0.529 39.005 1.00 -0.16 C \nATOM 3639 CD2 TRP A 231 28.231 1.677 37.523 1.00 0.12 C \nATOM 3640 NE1 TRP A 231 28.288 -0.167 38.778 1.00 -0.34 N \nATOM 3641 CE2 TRP A 231 27.526 0.507 37.867 1.00 0.14 C \nATOM 3642 CE3 TRP A 231 27.668 2.546 36.580 1.00 -0.24 C \nATOM 3643 CZ2 TRP A 231 26.280 0.210 37.345 1.00 -0.26 C \nATOM 3644 CZ3 TRP A 231 26.429 2.258 36.067 1.00 -0.20 C \nATOM 3645 CH2 TRP A 231 25.750 1.092 36.437 1.00 -0.11 C \nATOM 3646 HA TRP A 231 30.473 3.123 36.050 1.00 0.11 H \nATOM 3647 HB2 TRP A 231 31.328 2.375 38.894 1.00 0.03 H \nATOM 3648 HB3 TRP A 231 30.156 3.631 38.370 1.00 0.03 H \nATOM 3649 HE1 TRP A 231 28.030 -1.058 39.226 1.00 0.34 H \nATOM 3650 HD1 TRP A 231 30.249 0.215 39.681 1.00 0.21 H \nATOM 3651 HZ2 TRP A 231 25.743 -0.684 37.641 1.00 0.16 H \nATOM 3652 HH2 TRP A 231 24.783 0.880 35.996 1.00 0.14 H \nATOM 3653 HZ3 TRP A 231 25.969 2.944 35.365 1.00 0.14 H \nATOM 3654 HE3 TRP A 231 28.203 3.433 36.260 1.00 0.17 H \nATOM 3655 H TRP A 231 31.160 0.493 36.895 1.00 0.27 H \nATOM 3656 N LYS A 232 33.617 2.671 36.910 1.00 -0.35 N \nATOM 3657 CA LYS A 232 34.948 3.300 36.980 1.00 -0.24 C \nATOM 3658 C LYS A 232 35.399 3.870 35.638 1.00 0.73 C \nATOM 3659 O LYS A 232 36.175 4.797 35.616 1.00 -0.59 O \nATOM 3660 CB LYS A 232 36.029 2.343 37.585 1.00 -0.01 C \nATOM 3661 CG LYS A 232 36.240 1.005 36.908 1.00 0.02 C \nATOM 3662 CD LYS A 232 37.423 0.214 37.592 1.00 -0.05 C \nATOM 3663 CE LYS A 232 37.287 -1.341 37.497 1.00 -0.01 C \nATOM 3664 NZ LYS A 232 37.692 -2.111 38.747 1.00 -0.39 N \nATOM 3665 HA LYS A 232 34.856 4.151 37.670 1.00 0.14 H \nATOM 3666 HB2 LYS A 232 36.990 2.877 37.564 1.00 0.04 H \nATOM 3667 HB3 LYS A 232 35.744 2.142 38.628 1.00 0.04 H \nATOM 3668 HG2 LYS A 232 35.317 0.412 36.985 1.00 0.01 H \nATOM 3669 HG3 LYS A 232 36.482 1.171 35.848 1.00 0.01 H \nATOM 3670 HD2 LYS A 232 38.364 0.509 37.105 1.00 0.06 H \nATOM 3671 HD3 LYS A 232 37.457 0.494 38.655 1.00 0.06 H \nATOM 3672 HE2 LYS A 232 36.235 -1.577 37.279 1.00 0.11 H \nATOM 3673 HE3 LYS A 232 37.920 -1.687 36.666 1.00 0.11 H \nATOM 3674 HZ1 LYS A 232 37.122 -1.815 39.524 1.00 0.34 H \nATOM 3675 HZ2 LYS A 232 37.561 -3.098 38.591 1.00 0.34 H \nATOM 3676 HZ3 LYS A 232 38.662 -1.930 38.954 1.00 0.34 H \nATOM 3677 H LYS A 232 33.542 1.681 37.028 1.00 0.27 H \nATOM 3678 N LYS A 233 34.868 3.343 34.542 1.00 -0.35 N \nATOM 3679 CA LYS A 233 35.130 3.855 33.208 1.00 -0.24 C \nATOM 3680 C LYS A 233 34.320 5.106 32.847 1.00 0.73 C \nATOM 3681 O LYS A 233 34.531 5.692 31.790 1.00 -0.59 O \nATOM 3682 CB LYS A 233 34.868 2.768 32.173 1.00 -0.01 C \nATOM 3683 CG LYS A 233 35.666 1.499 32.448 1.00 0.02 C \nATOM 3684 CD LYS A 233 35.546 0.418 31.351 1.00 -0.05 C \nATOM 3685 CE LYS A 233 34.319 -0.407 31.464 1.00 -0.01 C \nATOM 3686 NZ LYS A 233 34.272 -1.584 30.523 1.00 -0.39 N \nATOM 3687 HA LYS A 233 36.195 4.126 33.163 1.00 0.14 H \nATOM 3688 HB2 LYS A 233 33.796 2.521 32.184 1.00 0.04 H \nATOM 3689 HB3 LYS A 233 35.146 3.151 31.180 1.00 0.04 H \nATOM 3690 HG2 LYS A 233 36.727 1.774 32.545 1.00 0.01 H \nATOM 3691 HG3 LYS A 233 35.311 1.068 33.396 1.00 0.01 H \nATOM 3692 HD2 LYS A 233 35.541 0.916 30.370 1.00 0.06 H \nATOM 3693 HD3 LYS A 233 36.420 -0.247 31.420 1.00 0.06 H \nATOM 3694 HE2 LYS A 233 34.253 -0.787 32.494 1.00 0.11 H \nATOM 3695 HE3 LYS A 233 33.451 0.236 31.255 1.00 0.11 H \nATOM 3696 HZ1 LYS A 233 35.059 -2.188 30.701 1.00 0.34 H \nATOM 3697 HZ2 LYS A 233 33.416 -2.096 30.668 1.00 0.34 H \nATOM 3698 HZ3 LYS A 233 34.309 -1.255 29.571 1.00 0.34 H \nATOM 3699 H LYS A 233 34.259 2.556 34.639 1.00 0.27 H \nATOM 3700 N ILE A 234 33.424 5.536 33.734 1.00 -0.42 N \nATOM 3701 CA ILE A 234 32.511 6.625 33.416 1.00 -0.06 C \nATOM 3702 C ILE A 234 32.851 7.873 34.189 1.00 0.60 C \nATOM 3703 O ILE A 234 33.054 7.845 35.395 1.00 -0.57 O \nATOM 3704 CB ILE A 234 31.035 6.198 33.702 1.00 0.13 C \nATOM 3705 CG1 ILE A 234 30.686 4.971 32.873 1.00 -0.04 C \nATOM 3706 CG2 ILE A 234 30.098 7.313 33.392 1.00 -0.32 C \nATOM 3707 CD1 ILE A 234 29.278 4.466 33.089 1.00 -0.07 C \nATOM 3708 HA ILE A 234 32.606 6.849 32.343 1.00 0.09 H \nATOM 3709 HB ILE A 234 30.940 5.945 34.768 1.00 0.02 H \nATOM 3710 HG12 ILE A 234 30.803 5.227 31.810 1.00 0.02 H \nATOM 3711 HG13 ILE A 234 31.387 4.165 33.135 1.00 0.02 H \nATOM 3712 HD11 ILE A 234 28.560 5.259 32.830 1.00 0.02 H \nATOM 3713 HD12 ILE A 234 29.101 3.588 32.450 1.00 0.02 H \nATOM 3714 HD13 ILE A 234 29.148 4.184 34.144 1.00 0.02 H \nATOM 3715 HG21 ILE A 234 30.198 7.592 32.333 1.00 0.09 H \nATOM 3716 HG22 ILE A 234 29.065 6.990 33.590 1.00 0.09 H \nATOM 3717 HG23 ILE A 234 30.338 8.180 34.024 1.00 0.09 H \nATOM 3718 H ILE A 234 33.378 5.103 34.634 1.00 0.27 H \nATOM 3719 N ASP A 235 32.883 8.994 33.502 1.00 -0.52 N \nATOM 3720 CA ASP A 235 33.267 10.239 34.145 1.00 0.04 C \nATOM 3721 C ASP A 235 32.223 10.639 35.197 1.00 0.54 C \nATOM 3722 O ASP A 235 31.045 10.299 35.086 1.00 -0.58 O \nATOM 3723 CB ASP A 235 33.433 11.326 33.073 1.00 -0.03 C \nATOM 3724 CG ASP A 235 33.830 12.657 33.657 1.00 0.80 C \nATOM 3725 OD1 ASP A 235 32.961 13.585 33.709 1.00 -0.80 O \nATOM 3726 OD2 ASP A 235 34.964 12.814 34.162 1.00 -0.80 O \nATOM 3727 HA ASP A 235 34.233 10.095 34.652 1.00 0.09 H \nATOM 3728 HB2 ASP A 235 34.210 11.006 32.364 1.00 -0.01 H \nATOM 3729 HB3 ASP A 235 32.478 11.445 32.541 1.00 -0.01 H \nATOM 3730 H ASP A 235 32.642 8.989 32.532 1.00 0.29 H \nATOM 3731 N SER A 236 32.664 11.400 36.200 1.00 -0.42 N \nATOM 3732 CA SER A 236 31.850 11.757 37.330 1.00 -0.02 C \nATOM 3733 C SER A 236 30.541 12.433 36.939 1.00 0.60 C \nATOM 3734 O SER A 236 29.522 12.179 37.564 1.00 -0.57 O \nATOM 3735 CB SER A 236 32.638 12.679 38.274 1.00 0.21 C \nATOM 3736 OG SER A 236 32.790 13.962 37.677 1.00 -0.65 O \nATOM 3737 HA SER A 236 31.603 10.832 37.871 1.00 0.08 H \nATOM 3738 HB2 SER A 236 32.094 12.780 39.224 1.00 0.04 H \nATOM 3739 HB3 SER A 236 33.631 12.245 38.465 1.00 0.04 H \nATOM 3740 HG SER A 236 33.277 14.528 38.264 1.00 0.43 H \nATOM 3741 H SER A 236 33.605 11.738 36.164 1.00 0.27 H \nATOM 3742 N ALA A 237 30.543 13.282 35.911 1.00 -0.42 N \nATOM 3743 CA ALA A 237 29.335 13.977 35.517 1.00 0.03 C \nATOM 3744 C ALA A 237 28.204 13.035 34.964 1.00 0.60 C \nATOM 3745 O ALA A 237 27.129 13.080 35.505 1.00 -0.57 O \nATOM 3746 CB ALA A 237 29.632 15.144 34.550 1.00 -0.18 C \nATOM 3747 HA ALA A 237 28.932 14.428 36.435 1.00 0.08 H \nATOM 3748 HB1 ALA A 237 28.690 15.643 34.277 1.00 0.06 H \nATOM 3749 HB2 ALA A 237 30.300 15.866 35.041 1.00 0.06 H \nATOM 3750 HB3 ALA A 237 30.117 14.754 33.643 1.00 0.06 H \nATOM 3751 H ALA A 237 31.391 13.441 35.405 1.00 0.27 H \nATOM 3752 N PRO A 238 28.429 12.241 33.919 1.00 -0.25 N \nATOM 3753 CA PRO A 238 27.406 11.285 33.476 1.00 -0.03 C \nATOM 3754 C PRO A 238 27.042 10.266 34.549 1.00 0.59 C \nATOM 3755 O PRO A 238 25.906 9.835 34.629 1.00 -0.57 O \nATOM 3756 CB PRO A 238 28.031 10.596 32.252 1.00 -0.01 C \nATOM 3757 CG PRO A 238 29.536 10.910 32.308 1.00 0.02 C \nATOM 3758 CD PRO A 238 29.611 12.215 33.032 1.00 0.02 C \nATOM 3759 HA PRO A 238 26.494 11.825 33.183 1.00 0.06 H \nATOM 3760 HD3 PRO A 238 29.576 13.053 32.320 1.00 0.04 H \nATOM 3761 HD2 PRO A 238 30.537 12.274 33.623 1.00 0.04 H \nATOM 3762 HG3 PRO A 238 29.954 11.001 31.294 1.00 0.02 H \nATOM 3763 HG2 PRO A 238 30.078 10.127 32.858 1.00 0.02 H \nATOM 3764 HB2 PRO A 238 27.866 9.510 32.300 1.00 0.03 H \nATOM 3765 HB3 PRO A 238 27.592 10.993 31.325 1.00 0.03 H \nATOM 3766 N LEU A 239 28.015 9.906 35.368 1.00 -0.42 N \nATOM 3767 CA LEU A 239 27.791 8.925 36.442 1.00 -0.05 C \nATOM 3768 C LEU A 239 26.821 9.437 37.478 1.00 0.60 C \nATOM 3769 O LEU A 239 25.986 8.664 37.981 1.00 -0.57 O \nATOM 3770 CB LEU A 239 29.104 8.573 37.145 1.00 -0.11 C \nATOM 3771 CG LEU A 239 29.409 7.150 37.615 1.00 0.35 C \nATOM 3772 CD1 LEU A 239 30.337 7.231 38.825 1.00 -0.41 C \nATOM 3773 CD2 LEU A 239 28.264 6.220 37.835 1.00 -0.41 C \nATOM 3774 HA LEU A 239 27.374 8.013 35.991 1.00 0.09 H \nATOM 3775 HB2 LEU A 239 29.910 8.848 36.449 1.00 0.05 H \nATOM 3776 HB3 LEU A 239 29.157 9.212 38.039 1.00 0.05 H \nATOM 3777 HG LEU A 239 29.990 6.690 36.802 1.00 -0.04 H \nATOM 3778 HD21 LEU A 239 27.701 6.103 36.897 1.00 0.10 H \nATOM 3779 HD22 LEU A 239 28.645 5.240 38.159 1.00 0.10 H \nATOM 3780 HD23 LEU A 239 27.602 6.631 38.611 1.00 0.10 H \nATOM 3781 HD11 LEU A 239 29.846 7.804 39.626 1.00 0.10 H \nATOM 3782 HD12 LEU A 239 30.560 6.216 39.185 1.00 0.10 H \nATOM 3783 HD13 LEU A 239 31.273 7.732 38.536 1.00 0.10 H \nATOM 3784 H LEU A 239 28.923 10.309 35.255 1.00 0.27 H \nATOM 3785 N ALA A 240 26.918 10.730 37.783 1.00 -0.42 N \nATOM 3786 CA ALA A 240 25.948 11.406 38.662 1.00 0.03 C \nATOM 3787 C ALA A 240 24.535 11.334 38.085 1.00 0.60 C \nATOM 3788 O ALA A 240 23.550 11.247 38.828 1.00 -0.57 O \nATOM 3789 CB ALA A 240 26.366 12.906 38.905 1.00 -0.18 C \nATOM 3790 HA ALA A 240 25.948 10.888 39.632 1.00 0.08 H \nATOM 3791 HB1 ALA A 240 25.629 13.390 39.563 1.00 0.06 H \nATOM 3792 HB2 ALA A 240 27.358 12.938 39.380 1.00 0.06 H \nATOM 3793 HB3 ALA A 240 26.403 13.437 37.942 1.00 0.06 H \nATOM 3794 H ALA A 240 27.675 11.260 37.402 1.00 0.27 H \nATOM 3795 N LEU A 241 24.411 11.430 36.755 1.00 -0.42 N \nATOM 3796 CA LEU A 241 23.090 11.279 36.112 1.00 -0.05 C \nATOM 3797 C LEU A 241 22.595 9.835 36.292 1.00 0.60 C \nATOM 3798 O LEU A 241 21.429 9.584 36.643 1.00 -0.57 O \nATOM 3799 CB LEU A 241 23.144 11.681 34.620 1.00 -0.11 C \nATOM 3800 CG LEU A 241 21.891 11.326 33.782 1.00 0.35 C \nATOM 3801 CD1 LEU A 241 20.650 11.946 34.401 1.00 -0.41 C \nATOM 3802 CD2 LEU A 241 22.012 11.756 32.341 1.00 -0.41 C \nATOM 3803 HA LEU A 241 22.381 11.951 36.617 1.00 0.09 H \nATOM 3804 HB2 LEU A 241 23.287 12.770 34.569 1.00 0.05 H \nATOM 3805 HB3 LEU A 241 24.009 11.176 34.165 1.00 0.05 H \nATOM 3806 HG LEU A 241 21.776 10.232 33.798 1.00 -0.04 H \nATOM 3807 HD21 LEU A 241 22.883 11.264 31.884 1.00 0.10 H \nATOM 3808 HD22 LEU A 241 21.101 11.470 31.795 1.00 0.10 H \nATOM 3809 HD23 LEU A 241 22.140 12.847 32.294 1.00 0.10 H \nATOM 3810 HD11 LEU A 241 20.767 13.039 34.442 1.00 0.10 H \nATOM 3811 HD12 LEU A 241 19.771 11.694 33.790 1.00 0.10 H \nATOM 3812 HD13 LEU A 241 20.513 11.554 35.420 1.00 0.10 H \nATOM 3813 H LEU A 241 25.219 11.605 36.193 1.00 0.27 H \nATOM 3814 N LEU A 242 23.495 8.884 36.086 1.00 -0.42 N \nATOM 3815 CA LEU A 242 23.177 7.473 36.241 1.00 -0.05 C \nATOM 3816 C LEU A 242 22.794 7.116 37.681 1.00 0.60 C \nATOM 3817 O LEU A 242 21.977 6.240 37.887 1.00 -0.57 O \nATOM 3818 CB LEU A 242 24.356 6.609 35.787 1.00 -0.11 C \nATOM 3819 CG LEU A 242 24.606 6.601 34.276 1.00 0.35 C \nATOM 3820 CD1 LEU A 242 25.925 5.843 33.908 1.00 -0.41 C \nATOM 3821 CD2 LEU A 242 23.474 5.998 33.511 1.00 -0.41 C \nATOM 3822 HA LEU A 242 22.315 7.249 35.596 1.00 0.09 H \nATOM 3823 HB2 LEU A 242 25.264 6.983 36.282 1.00 0.05 H \nATOM 3824 HB3 LEU A 242 24.164 5.574 36.107 1.00 0.05 H \nATOM 3825 HG LEU A 242 24.712 7.648 33.955 1.00 -0.04 H \nATOM 3826 HD21 LEU A 242 22.554 6.568 33.707 1.00 0.10 H \nATOM 3827 HD22 LEU A 242 23.702 6.027 32.435 1.00 0.10 H \nATOM 3828 HD23 LEU A 242 23.333 4.954 33.827 1.00 0.10 H \nATOM 3829 HD11 LEU A 242 25.861 4.803 34.261 1.00 0.10 H \nATOM 3830 HD12 LEU A 242 26.061 5.852 32.816 1.00 0.10 H \nATOM 3831 HD13 LEU A 242 26.780 6.341 34.388 1.00 0.10 H \nATOM 3832 H LEU A 242 24.422 9.145 35.816 1.00 0.27 H \nATOM 3833 N HIS A 243 23.355 7.819 38.674 1.00 -0.42 N \nATOM 3834 CA HIS A 243 22.955 7.612 40.066 1.00 0.02 C \nATOM 3835 C HIS A 243 21.492 8.008 40.286 1.00 0.60 C \nATOM 3836 O HIS A 243 20.817 7.469 41.189 1.00 -0.57 O \nATOM 3837 CB HIS A 243 23.820 8.415 41.043 1.00 -0.05 C \nATOM 3838 CG HIS A 243 25.099 7.744 41.426 1.00 -0.03 C \nATOM 3839 ND1 HIS A 243 25.169 6.740 42.368 1.00 -0.38 N \nATOM 3840 CD2 HIS A 243 26.370 7.949 41.000 1.00 0.13 C \nATOM 3841 CE1 HIS A 243 26.422 6.342 42.490 1.00 0.21 C \nATOM 3842 NE2 HIS A 243 27.169 7.056 41.670 1.00 -0.57 N \nATOM 3843 HA HIS A 243 23.070 6.542 40.296 1.00 0.09 H \nATOM 3844 HB2 HIS A 243 24.064 9.380 40.574 1.00 0.04 H \nATOM 3845 HB3 HIS A 243 23.235 8.589 41.958 1.00 0.04 H \nATOM 3846 HD2 HIS A 243 26.696 8.684 40.265 1.00 0.11 H \nATOM 3847 HE1 HIS A 243 26.779 5.557 43.155 1.00 0.14 H \nATOM 3848 HD1 HIS A 243 24.369 6.360 42.894 1.00 0.36 H \nATOM 3849 H HIS A 243 24.059 8.496 38.460 1.00 0.27 H \nATOM 3850 N LYS A 244 21.029 8.963 39.505 1.00 -0.35 N \nATOM 3851 CA LYS A 244 19.640 9.440 39.581 1.00 -0.24 C \nATOM 3852 C LYS A 244 18.640 8.599 38.791 1.00 0.73 C \nATOM 3853 O LYS A 244 17.496 8.458 39.206 1.00 -0.59 O \nATOM 3854 CB LYS A 244 19.565 10.913 39.186 1.00 -0.01 C \nATOM 3855 CG LYS A 244 20.333 11.825 40.131 1.00 0.02 C \nATOM 3856 CD LYS A 244 20.155 13.323 39.791 1.00 -0.05 C \nATOM 3857 CE LYS A 244 20.864 13.686 38.450 1.00 -0.01 C \nATOM 3858 NZ LYS A 244 21.146 15.174 38.163 1.00 -0.39 N \nATOM 3859 HA LYS A 244 19.340 9.370 40.637 1.00 0.14 H \nATOM 3860 HB2 LYS A 244 19.982 11.026 38.175 1.00 0.04 H \nATOM 3861 HB3 LYS A 244 18.509 11.221 39.183 1.00 0.04 H \nATOM 3862 HG2 LYS A 244 19.974 11.652 41.156 1.00 0.01 H \nATOM 3863 HG3 LYS A 244 21.402 11.575 40.070 1.00 0.01 H \nATOM 3864 HD2 LYS A 244 19.081 13.545 39.701 1.00 0.06 H \nATOM 3865 HD3 LYS A 244 20.588 13.929 40.601 1.00 0.06 H \nATOM 3866 HE2 LYS A 244 21.831 13.161 38.438 1.00 0.11 H \nATOM 3867 HE3 LYS A 244 20.232 13.309 37.633 1.00 0.11 H \nATOM 3868 HZ1 LYS A 244 21.734 15.551 38.890 1.00 0.34 H \nATOM 3869 HZ2 LYS A 244 21.613 15.262 37.274 1.00 0.34 H \nATOM 3870 HZ3 LYS A 244 20.276 15.682 38.137 1.00 0.34 H \nATOM 3871 H LYS A 244 21.645 9.379 38.836 1.00 0.27 H \nATOM 3872 N ILE A 245 19.084 7.991 37.694 1.00 -0.42 N \nATOM 3873 CA ILE A 245 18.237 7.134 36.855 1.00 -0.06 C \nATOM 3874 C ILE A 245 18.118 5.707 37.386 1.00 0.60 C \nATOM 3875 O ILE A 245 17.026 5.115 37.441 1.00 -0.57 O \nATOM 3876 CB ILE A 245 18.803 7.084 35.395 1.00 0.13 C \nATOM 3877 CG1 ILE A 245 18.680 8.456 34.718 1.00 -0.04 C \nATOM 3878 CG2 ILE A 245 18.095 5.980 34.610 1.00 -0.32 C \nATOM 3879 CD1 ILE A 245 19.323 8.530 33.332 1.00 -0.07 C \nATOM 3880 HA ILE A 245 17.230 7.575 36.829 1.00 0.09 H \nATOM 3881 HB ILE A 245 19.872 6.831 35.447 1.00 0.02 H \nATOM 3882 HG12 ILE A 245 17.611 8.696 34.616 1.00 0.02 H \nATOM 3883 HG13 ILE A 245 19.164 9.204 35.363 1.00 0.02 H \nATOM 3884 HD11 ILE A 245 18.851 7.790 32.669 1.00 0.02 H \nATOM 3885 HD12 ILE A 245 19.182 9.538 32.916 1.00 0.02 H \nATOM 3886 HD13 ILE A 245 20.399 8.315 33.415 1.00 0.02 H \nATOM 3887 HG21 ILE A 245 17.014 6.183 34.586 1.00 0.09 H \nATOM 3888 HG22 ILE A 245 18.486 5.952 33.582 1.00 0.09 H \nATOM 3889 HG23 ILE A 245 18.276 5.010 35.097 1.00 0.09 H \nATOM 3890 H ILE A 245 20.039 8.124 37.429 1.00 0.27 H \nATOM 3891 N LEU A 246 19.240 5.159 37.827 1.00 -0.42 N \nATOM 3892 CA LEU A 246 19.290 3.743 38.259 1.00 -0.05 C \nATOM 3893 C LEU A 246 18.995 3.616 39.782 1.00 0.60 C \nATOM 3894 O LEU A 246 19.777 3.017 40.540 1.00 -0.57 O \nATOM 3895 CB LEU A 246 20.640 3.120 37.871 1.00 -0.11 C \nATOM 3896 CG LEU A 246 20.956 3.094 36.351 1.00 0.35 C \nATOM 3897 CD1 LEU A 246 22.321 2.404 36.094 1.00 -0.41 C \nATOM 3898 CD2 LEU A 246 19.885 2.428 35.583 1.00 -0.41 C \nATOM 3899 HA LEU A 246 18.502 3.195 37.722 1.00 0.09 H \nATOM 3900 HB2 LEU A 246 21.434 3.694 38.372 1.00 0.05 H \nATOM 3901 HB3 LEU A 246 20.651 2.083 38.237 1.00 0.05 H \nATOM 3902 HG LEU A 246 21.026 4.135 36.001 1.00 -0.04 H \nATOM 3903 HD21 LEU A 246 18.936 2.961 35.739 1.00 0.10 H \nATOM 3904 HD22 LEU A 246 20.140 2.439 34.513 1.00 0.10 H \nATOM 3905 HD23 LEU A 246 19.781 1.388 35.925 1.00 0.10 H \nATOM 3906 HD11 LEU A 246 22.290 1.374 36.479 1.00 0.10 H \nATOM 3907 HD12 LEU A 246 22.524 2.385 35.013 1.00 0.10 H \nATOM 3908 HD13 LEU A 246 23.117 2.964 36.607 1.00 0.10 H \nATOM 3909 H LEU A 246 20.071 5.713 37.869 1.00 0.27 H \nATOM 3910 N VAL A 247 17.873 4.209 40.176 1.00 -0.42 N \nATOM 3911 CA VAL A 247 17.384 4.245 41.542 1.00 -0.09 C \nATOM 3912 C VAL A 247 16.340 3.129 41.636 1.00 0.60 C \nATOM 3913 O VAL A 247 15.434 3.058 40.797 1.00 -0.57 O \nATOM 3914 CB VAL A 247 16.776 5.646 41.838 1.00 0.30 C \nATOM 3915 CG1 VAL A 247 15.998 5.679 43.168 1.00 -0.32 C \nATOM 3916 CG2 VAL A 247 17.872 6.720 41.850 1.00 -0.32 C \nATOM 3917 HA VAL A 247 18.204 4.051 42.249 1.00 0.10 H \nATOM 3918 HB VAL A 247 16.071 5.883 41.028 1.00 -0.03 H \nATOM 3919 HG11 VAL A 247 16.673 5.411 43.994 1.00 0.08 H \nATOM 3920 HG12 VAL A 247 15.599 6.690 43.334 1.00 0.08 H \nATOM 3921 HG13 VAL A 247 15.167 4.959 43.125 1.00 0.08 H \nATOM 3922 HG21 VAL A 247 18.376 6.741 40.872 1.00 0.08 H \nATOM 3923 HG22 VAL A 247 17.420 7.703 42.051 1.00 0.08 H \nATOM 3924 HG23 VAL A 247 18.606 6.487 42.636 1.00 0.08 H \nATOM 3925 H VAL A 247 17.323 4.666 39.477 1.00 0.27 H \nATOM 3926 N GLU A 248 16.470 2.257 42.639 1.00 -0.52 N \nATOM 3927 CA GLU A 248 15.600 1.093 42.761 1.00 0.04 C \nATOM 3928 C GLU A 248 14.112 1.458 42.897 1.00 0.54 C \nATOM 3929 O GLU A 248 13.254 0.874 42.265 1.00 -0.58 O \nATOM 3930 CB GLU A 248 16.036 0.281 43.972 1.00 0.06 C \nATOM 3931 CG GLU A 248 14.966 -0.685 44.453 1.00 0.01 C \nATOM 3932 CD GLU A 248 15.422 -2.092 44.316 1.00 0.81 C \nATOM 3933 OE1 GLU A 248 15.514 -2.782 45.363 1.00 -0.82 O \nATOM 3934 OE2 GLU A 248 15.732 -2.463 43.175 1.00 -0.82 O \nATOM 3935 HA GLU A 248 15.719 0.478 41.857 1.00 0.11 H \nATOM 3936 HB2 GLU A 248 16.934 -0.295 43.704 1.00 -0.02 H \nATOM 3937 HB3 GLU A 248 16.277 0.974 44.791 1.00 -0.02 H \nATOM 3938 HG2 GLU A 248 14.744 -0.480 45.511 1.00 -0.04 H \nATOM 3939 HG3 GLU A 248 14.055 -0.542 43.853 1.00 -0.04 H \nATOM 3940 H GLU A 248 17.183 2.406 43.324 1.00 0.29 H \nATOM 3941 N ASN A 249 13.816 2.440 43.714 1.00 -0.42 N \nATOM 3942 CA ASN A 249 12.443 2.855 43.947 1.00 0.01 C \nATOM 3943 C ASN A 249 11.978 3.731 42.787 1.00 0.60 C \nATOM 3944 O ASN A 249 12.465 4.826 42.658 1.00 -0.57 O \nATOM 3945 CB ASN A 249 12.327 3.637 45.254 1.00 -0.20 C \nATOM 3946 CG ASN A 249 10.920 4.150 45.516 1.00 0.71 C \nATOM 3947 OD1 ASN A 249 9.984 3.927 44.723 1.00 -0.59 O \nATOM 3948 ND2 ASN A 249 10.750 4.807 46.659 1.00 -0.92 N \nATOM 3949 HA ASN A 249 11.804 1.962 44.007 1.00 0.10 H \nATOM 3950 HB2 ASN A 249 12.620 2.978 46.084 1.00 0.08 H \nATOM 3951 HB3 ASN A 249 13.011 4.497 45.210 1.00 0.08 H \nATOM 3952 HD22 ASN A 249 9.850 5.173 46.897 1.00 0.42 H \nATOM 3953 HD21 ASN A 249 11.522 4.936 47.281 1.00 0.42 H \nATOM 3954 H ASN A 249 14.555 2.916 44.190 1.00 0.27 H \nATOM 3955 N PRO A 250 11.022 3.259 41.987 1.00 -0.25 N \nATOM 3956 CA PRO A 250 10.594 3.975 40.780 1.00 -0.03 C \nATOM 3957 C PRO A 250 9.919 5.322 41.097 1.00 0.59 C \nATOM 3958 O PRO A 250 9.958 6.221 40.289 1.00 -0.57 O \nATOM 3959 CB PRO A 250 9.624 2.974 40.102 1.00 -0.01 C \nATOM 3960 CG PRO A 250 9.084 2.119 41.224 1.00 0.02 C \nATOM 3961 CD PRO A 250 10.279 1.989 42.173 1.00 0.02 C \nATOM 3962 HA PRO A 250 11.459 4.167 40.127 1.00 0.06 H \nATOM 3963 HD3 PRO A 250 10.904 1.126 41.899 1.00 0.04 H \nATOM 3964 HD2 PRO A 250 9.942 1.882 43.215 1.00 0.04 H \nATOM 3965 HG3 PRO A 250 8.767 1.134 40.851 1.00 0.02 H \nATOM 3966 HG2 PRO A 250 8.236 2.612 41.723 1.00 0.02 H \nATOM 3967 HB2 PRO A 250 8.806 3.511 39.599 1.00 0.03 H \nATOM 3968 HB3 PRO A 250 10.161 2.354 39.369 1.00 0.03 H \nATOM 3969 N SER A 251 9.318 5.445 42.282 1.00 -0.42 N \nATOM 3970 CA SER A 251 8.718 6.704 42.739 1.00 -0.02 C \nATOM 3971 C SER A 251 9.763 7.760 43.107 1.00 0.60 C \nATOM 3972 O SER A 251 9.509 8.967 43.023 1.00 -0.57 O \nATOM 3973 CB SER A 251 7.747 6.419 43.911 1.00 0.21 C \nATOM 3974 OG SER A 251 6.855 5.349 43.553 1.00 -0.65 O \nATOM 3975 HA SER A 251 8.127 7.111 41.906 1.00 0.08 H \nATOM 3976 HB2 SER A 251 8.324 6.131 44.802 1.00 0.04 H \nATOM 3977 HB3 SER A 251 7.162 7.325 44.130 1.00 0.04 H \nATOM 3978 HG SER A 251 6.261 5.177 44.274 1.00 0.43 H \nATOM 3979 H SER A 251 9.275 4.647 42.883 1.00 0.27 H \nATOM 3980 N ALA A 252 10.960 7.312 43.450 1.00 -0.42 N \nATOM 3981 CA ALA A 252 12.094 8.191 43.709 1.00 0.03 C \nATOM 3982 C ALA A 252 12.991 8.414 42.472 1.00 0.60 C \nATOM 3983 O ALA A 252 13.765 9.348 42.445 1.00 -0.57 O \nATOM 3984 CB ALA A 252 12.925 7.621 44.823 1.00 -0.18 C \nATOM 3985 HA ALA A 252 11.700 9.168 44.025 1.00 0.08 H \nATOM 3986 HB1 ALA A 252 13.781 8.284 45.019 1.00 0.06 H \nATOM 3987 HB2 ALA A 252 12.311 7.537 45.732 1.00 0.06 H \nATOM 3988 HB3 ALA A 252 13.292 6.625 44.534 1.00 0.06 H \nATOM 3989 H ALA A 252 11.093 6.325 43.536 1.00 0.27 H \nATOM 3990 N ARG A 253 12.872 7.566 41.462 1.00 -0.35 N \nATOM 3991 CA ARG A 253 13.675 7.674 40.252 1.00 -0.26 C \nATOM 3992 C ARG A 253 13.489 9.034 39.554 1.00 0.73 C \nATOM 3993 O ARG A 253 12.405 9.590 39.529 1.00 -0.59 O \nATOM 3994 CB ARG A 253 13.336 6.479 39.346 1.00 -0.00 C \nATOM 3995 CG ARG A 253 14.221 6.295 38.146 1.00 0.04 C \nATOM 3996 CD ARG A 253 13.939 5.024 37.417 1.00 0.05 C \nATOM 3997 NE ARG A 253 13.935 3.936 38.369 1.00 -0.53 N \nATOM 3998 CZ ARG A 253 13.169 2.862 38.291 1.00 0.81 C \nATOM 3999 NH1 ARG A 253 13.197 1.962 39.270 1.00 -0.86 N \nATOM 4000 NH2 ARG A 253 12.389 2.688 37.242 1.00 -0.86 N \nATOM 4001 HA ARG A 253 14.735 7.596 40.535 1.00 0.16 H \nATOM 4002 HB2 ARG A 253 13.399 5.565 39.955 1.00 0.03 H \nATOM 4003 HB3 ARG A 253 12.304 6.610 38.987 1.00 0.03 H \nATOM 4004 HG2 ARG A 253 14.063 7.139 37.458 1.00 0.03 H \nATOM 4005 HG3 ARG A 253 15.269 6.285 38.479 1.00 0.03 H \nATOM 4006 HD2 ARG A 253 12.957 5.089 36.925 1.00 0.07 H \nATOM 4007 HD3 ARG A 253 14.718 4.851 36.660 1.00 0.07 H \nATOM 4008 HE ARG A 253 14.579 4.003 39.170 1.00 0.35 H \nATOM 4009 HH12 ARG A 253 12.602 1.123 39.215 1.00 0.45 H \nATOM 4010 HH11 ARG A 253 13.813 2.104 40.083 1.00 0.45 H \nATOM 4011 HH22 ARG A 253 11.791 1.852 37.178 1.00 0.45 H \nATOM 4012 HH21 ARG A 253 12.378 3.388 36.487 1.00 0.45 H \nATOM 4013 H ARG A 253 12.206 6.824 41.533 1.00 0.27 H \nATOM 4014 N ILE A 254 14.560 9.597 38.994 1.00 -0.42 N \nATOM 4015 CA ILE A 254 14.440 10.845 38.253 1.00 -0.06 C \nATOM 4016 C ILE A 254 13.450 10.706 37.087 1.00 0.60 C \nATOM 4017 O ILE A 254 13.405 9.664 36.450 1.00 -0.57 O \nATOM 4018 CB ILE A 254 15.814 11.296 37.739 1.00 0.13 C \nATOM 4019 CG1 ILE A 254 15.799 12.761 37.329 1.00 -0.04 C \nATOM 4020 CG2 ILE A 254 16.296 10.442 36.581 1.00 -0.32 C \nATOM 4021 CD1 ILE A 254 17.196 13.311 37.001 1.00 -0.07 C \nATOM 4022 HA ILE A 254 14.057 11.616 38.938 1.00 0.09 H \nATOM 4023 HB ILE A 254 16.532 11.181 38.565 1.00 0.02 H \nATOM 4024 HG12 ILE A 254 15.163 12.868 36.438 1.00 0.02 H \nATOM 4025 HG13 ILE A 254 15.376 13.351 38.155 1.00 0.02 H \nATOM 4026 HD11 ILE A 254 17.634 12.731 36.176 1.00 0.02 H \nATOM 4027 HD12 ILE A 254 17.114 14.367 36.704 1.00 0.02 H \nATOM 4028 HD13 ILE A 254 17.840 13.229 37.889 1.00 0.02 H \nATOM 4029 HG21 ILE A 254 15.573 10.504 35.754 1.00 0.09 H \nATOM 4030 HG22 ILE A 254 17.276 10.806 36.240 1.00 0.09 H \nATOM 4031 HG23 ILE A 254 16.388 9.396 36.910 1.00 0.09 H \nATOM 4032 H ILE A 254 15.454 9.158 39.084 1.00 0.27 H \nATOM 4033 N THR A 255 12.676 11.771 36.803 1.00 -0.42 N \nATOM 4034 CA THR A 255 11.777 11.818 35.646 1.00 -0.04 C \nATOM 4035 C THR A 255 12.483 12.487 34.505 1.00 0.60 C \nATOM 4036 O THR A 255 13.498 13.150 34.695 1.00 -0.57 O \nATOM 4037 CB THR A 255 10.486 12.616 35.925 1.00 0.37 C \nATOM 4038 OG1 THR A 255 10.830 13.957 36.297 1.00 -0.68 O \nATOM 4039 CG2 THR A 255 9.746 12.046 37.132 1.00 -0.24 C \nATOM 4040 HA THR A 255 11.509 10.789 35.365 1.00 0.10 H \nATOM 4041 HB THR A 255 9.841 12.607 35.034 1.00 0.00 H \nATOM 4042 HG1 THR A 255 10.037 14.451 36.469 1.00 0.41 H \nATOM 4043 HG23 THR A 255 8.936 11.386 36.788 1.00 0.06 H \nATOM 4044 HG21 THR A 255 10.448 11.471 37.754 1.00 0.06 H \nATOM 4045 HG22 THR A 255 9.321 12.870 37.724 1.00 0.06 H \nATOM 4046 H THR A 255 12.716 12.566 37.409 1.00 0.27 H \nATOM 4047 N ILE A 256 11.902 12.384 33.323 1.00 -0.42 N \nATOM 4048 CA ILE A 256 12.508 13.021 32.156 1.00 -0.06 C \nATOM 4049 C ILE A 256 12.584 14.534 32.239 1.00 0.60 C \nATOM 4050 O ILE A 256 13.632 15.076 31.909 1.00 -0.57 O \nATOM 4051 CB ILE A 256 11.878 12.575 30.849 1.00 0.13 C \nATOM 4052 CG1 ILE A 256 12.076 11.051 30.669 1.00 -0.04 C \nATOM 4053 CG2 ILE A 256 12.530 13.322 29.682 1.00 -0.32 C \nATOM 4054 CD1 ILE A 256 11.324 10.490 29.465 1.00 -0.07 C \nATOM 4055 HA ILE A 256 13.549 12.667 32.132 1.00 0.09 H \nATOM 4056 HB ILE A 256 10.802 12.801 30.869 1.00 0.02 H \nATOM 4057 HG12 ILE A 256 13.149 10.850 30.537 1.00 0.02 H \nATOM 4058 HG13 ILE A 256 11.717 10.541 31.575 1.00 0.02 H \nATOM 4059 HD11 ILE A 256 11.672 10.991 28.549 1.00 0.02 H \nATOM 4060 HD12 ILE A 256 11.513 9.409 29.386 1.00 0.02 H \nATOM 4061 HD13 ILE A 256 10.246 10.666 29.592 1.00 0.02 H \nATOM 4062 HG21 ILE A 256 13.609 13.110 29.668 1.00 0.09 H \nATOM 4063 HG22 ILE A 256 12.079 12.989 28.736 1.00 0.09 H \nATOM 4064 HG23 ILE A 256 12.370 14.403 29.804 1.00 0.09 H \nATOM 4065 H ILE A 256 11.049 11.871 33.227 1.00 0.27 H \nATOM 4066 N PRO A 257 11.557 15.248 32.719 1.00 -0.25 N \nATOM 4067 CA PRO A 257 11.739 16.704 32.928 1.00 -0.03 C \nATOM 4068 C PRO A 257 13.003 17.044 33.707 1.00 0.59 C \nATOM 4069 O PRO A 257 13.725 18.008 33.372 1.00 -0.57 O \nATOM 4070 CB PRO A 257 10.432 17.137 33.665 1.00 -0.01 C \nATOM 4071 CG PRO A 257 9.386 16.209 33.030 1.00 0.02 C \nATOM 4072 CD PRO A 257 10.154 14.831 32.930 1.00 0.02 C \nATOM 4073 HA PRO A 257 11.799 17.211 31.954 1.00 0.06 H \nATOM 4074 HD3 PRO A 257 9.787 14.234 32.082 1.00 0.04 H \nATOM 4075 HD2 PRO A 257 10.049 14.251 33.859 1.00 0.04 H \nATOM 4076 HG3 PRO A 257 9.089 16.570 32.034 1.00 0.02 H \nATOM 4077 HG2 PRO A 257 8.495 16.120 33.669 1.00 0.02 H \nATOM 4078 HB2 PRO A 257 10.510 16.969 34.749 1.00 0.03 H \nATOM 4079 HB3 PRO A 257 10.197 18.194 33.474 1.00 0.03 H \nATOM 4080 N ASP A 258 13.297 16.244 34.726 1.00 -0.52 N \nATOM 4081 CA ASP A 258 14.454 16.485 35.537 1.00 0.04 C \nATOM 4082 C ASP A 258 15.777 16.030 34.906 1.00 0.54 C \nATOM 4083 O ASP A 258 16.803 16.656 35.134 1.00 -0.58 O \nATOM 4084 CB ASP A 258 14.213 15.859 36.905 1.00 -0.03 C \nATOM 4085 CG ASP A 258 13.243 16.720 37.756 1.00 0.80 C \nATOM 4086 OD1 ASP A 258 12.627 16.218 38.728 1.00 -0.80 O \nATOM 4087 OD2 ASP A 258 13.075 17.929 37.482 1.00 -0.80 O \nATOM 4088 HA ASP A 258 14.534 17.573 35.677 1.00 0.09 H \nATOM 4089 HB2 ASP A 258 13.778 14.858 36.769 1.00 -0.01 H \nATOM 4090 HB3 ASP A 258 15.174 15.773 37.434 1.00 -0.01 H \nATOM 4091 H ASP A 258 12.704 15.465 34.930 1.00 0.29 H \nATOM 4092 N ILE A 259 15.748 14.966 34.107 1.00 -0.42 N \nATOM 4093 CA ILE A 259 16.917 14.568 33.306 1.00 -0.06 C \nATOM 4094 C ILE A 259 17.375 15.727 32.426 1.00 0.60 C \nATOM 4095 O ILE A 259 18.550 15.989 32.323 1.00 -0.57 O \nATOM 4096 CB ILE A 259 16.631 13.309 32.465 1.00 0.13 C \nATOM 4097 CG1 ILE A 259 16.467 12.091 33.379 1.00 -0.04 C \nATOM 4098 CG2 ILE A 259 17.740 13.077 31.433 1.00 -0.32 C \nATOM 4099 CD1 ILE A 259 16.059 10.856 32.647 1.00 -0.07 C \nATOM 4100 HA ILE A 259 17.735 14.326 34.001 1.00 0.09 H \nATOM 4101 HB ILE A 259 15.686 13.463 31.923 1.00 0.02 H \nATOM 4102 HG12 ILE A 259 17.427 11.899 33.881 1.00 0.02 H \nATOM 4103 HG13 ILE A 259 15.699 12.320 34.132 1.00 0.02 H \nATOM 4104 HD11 ILE A 259 16.817 10.612 31.888 1.00 0.02 H \nATOM 4105 HD12 ILE A 259 15.970 10.021 33.358 1.00 0.02 H \nATOM 4106 HD13 ILE A 259 15.089 11.025 32.156 1.00 0.02 H \nATOM 4107 HG21 ILE A 259 18.703 12.955 31.951 1.00 0.09 H \nATOM 4108 HG22 ILE A 259 17.518 12.169 30.854 1.00 0.09 H \nATOM 4109 HG23 ILE A 259 17.795 13.941 30.754 1.00 0.09 H \nATOM 4110 H ILE A 259 14.910 14.423 34.049 1.00 0.27 H \nATOM 4111 N LYS A 260 16.426 16.441 31.841 1.00 -0.35 N \nATOM 4112 CA LYS A 260 16.722 17.583 30.963 1.00 -0.24 C \nATOM 4113 C LYS A 260 17.355 18.766 31.649 1.00 0.73 C \nATOM 4114 O LYS A 260 17.943 19.634 30.988 1.00 -0.59 O \nATOM 4115 CB LYS A 260 15.438 18.001 30.246 1.00 -0.01 C \nATOM 4116 CG LYS A 260 15.131 17.113 29.076 1.00 0.02 C \nATOM 4117 CD LYS A 260 13.686 17.284 28.671 1.00 -0.05 C \nATOM 4118 CE LYS A 260 13.399 16.829 27.270 1.00 -0.01 C \nATOM 4119 NZ LYS A 260 12.026 17.357 26.934 1.00 -0.39 N \nATOM 4120 HA LYS A 260 17.438 17.233 30.205 1.00 0.14 H \nATOM 4121 HB2 LYS A 260 14.601 17.951 30.958 1.00 0.04 H \nATOM 4122 HB3 LYS A 260 15.553 19.034 29.887 1.00 0.04 H \nATOM 4123 HG2 LYS A 260 15.782 17.383 28.231 1.00 0.01 H \nATOM 4124 HG3 LYS A 260 15.310 16.064 29.356 1.00 0.01 H \nATOM 4125 HD2 LYS A 260 13.059 16.701 29.362 1.00 0.06 H \nATOM 4126 HD3 LYS A 260 13.426 18.350 28.751 1.00 0.06 H \nATOM 4127 HE2 LYS A 260 14.147 17.238 26.575 1.00 0.11 H \nATOM 4128 HE3 LYS A 260 13.410 15.730 27.215 1.00 0.11 H \nATOM 4129 HZ1 LYS A 260 12.026 18.362 27.006 1.00 0.34 H \nATOM 4130 HZ2 LYS A 260 11.783 17.088 25.994 1.00 0.34 H \nATOM 4131 HZ3 LYS A 260 11.352 16.974 27.578 1.00 0.34 H \nATOM 4132 H LYS A 260 15.470 16.194 32.002 1.00 0.27 H \nATOM 4133 N LYS A 261 17.255 18.788 32.967 1.00 -0.35 N \nATOM 4134 CA LYS A 261 17.894 19.788 33.817 1.00 -0.24 C \nATOM 4135 C LYS A 261 19.203 19.332 34.428 1.00 0.73 C \nATOM 4136 O LYS A 261 19.856 20.104 35.120 1.00 -0.59 O \nATOM 4137 CB LYS A 261 16.945 20.187 34.955 1.00 -0.01 C \nATOM 4138 CG LYS A 261 15.626 20.794 34.473 1.00 0.02 C \nATOM 4139 CD LYS A 261 14.613 20.867 35.675 1.00 -0.05 C \nATOM 4140 CE LYS A 261 13.176 21.145 35.231 1.00 -0.01 C \nATOM 4141 NZ LYS A 261 12.190 20.144 35.790 1.00 -0.39 N \nATOM 4142 HA LYS A 261 18.098 20.673 33.197 1.00 0.14 H \nATOM 4143 HB2 LYS A 261 16.718 19.289 35.548 1.00 0.04 H \nATOM 4144 HB3 LYS A 261 17.456 20.926 35.590 1.00 0.04 H \nATOM 4145 HG2 LYS A 261 15.808 21.807 34.085 1.00 0.01 H \nATOM 4146 HG3 LYS A 261 15.203 20.166 33.675 1.00 0.01 H \nATOM 4147 HD2 LYS A 261 14.635 19.906 36.210 1.00 0.06 H \nATOM 4148 HD3 LYS A 261 14.932 21.672 36.354 1.00 0.06 H \nATOM 4149 HE2 LYS A 261 12.890 22.150 35.574 1.00 0.11 H \nATOM 4150 HE3 LYS A 261 13.133 21.106 34.133 1.00 0.11 H \nATOM 4151 HZ1 LYS A 261 12.221 20.169 36.797 1.00 0.34 H \nATOM 4152 HZ2 LYS A 261 11.261 20.377 35.477 1.00 0.34 H \nATOM 4153 HZ3 LYS A 261 12.431 19.219 35.469 1.00 0.34 H \nATOM 4154 H LYS A 261 16.708 18.076 33.408 1.00 0.27 H \nATOM 4155 N ASP A 262 19.603 18.089 34.162 1.00 -0.52 N \nATOM 4156 CA ASP A 262 20.810 17.516 34.743 1.00 0.04 C \nATOM 4157 C ASP A 262 22.029 18.172 34.141 1.00 0.54 C \nATOM 4158 O ASP A 262 22.026 18.604 32.985 1.00 -0.58 O \nATOM 4159 CB ASP A 262 20.857 15.978 34.526 1.00 -0.03 C \nATOM 4160 CG ASP A 262 22.205 15.375 34.811 1.00 0.80 C \nATOM 4161 OD1 ASP A 262 22.973 15.157 33.839 1.00 -0.80 O \nATOM 4162 OD2 ASP A 262 22.582 15.033 35.955 1.00 -0.80 O \nATOM 4163 HA ASP A 262 20.804 17.713 35.825 1.00 0.09 H \nATOM 4164 HB2 ASP A 262 20.118 15.509 35.192 1.00 -0.01 H \nATOM 4165 HB3 ASP A 262 20.594 15.765 33.479 1.00 -0.01 H \nATOM 4166 H ASP A 262 19.055 17.529 33.541 1.00 0.29 H \nATOM 4167 N ARG A 263 23.088 18.210 34.930 1.00 -0.35 N \nATOM 4168 CA ARG A 263 24.294 18.960 34.571 1.00 -0.26 C \nATOM 4169 C ARG A 263 25.046 18.368 33.390 1.00 0.73 C \nATOM 4170 O ARG A 263 25.357 19.090 32.438 1.00 -0.59 O \nATOM 4171 CB ARG A 263 25.197 19.082 35.793 1.00 -0.00 C \nATOM 4172 CG ARG A 263 26.441 19.976 35.634 1.00 0.04 C \nATOM 4173 CD ARG A 263 27.224 20.151 36.978 1.00 0.05 C \nATOM 4174 NE ARG A 263 28.549 19.545 36.915 1.00 -0.53 N \nATOM 4175 CZ ARG A 263 28.827 18.248 37.102 1.00 0.81 C \nATOM 4176 NH1 ARG A 263 27.880 17.366 37.395 1.00 -0.86 N \nATOM 4177 NH2 ARG A 263 30.077 17.826 36.986 1.00 -0.86 N \nATOM 4178 HA ARG A 263 23.979 19.973 34.280 1.00 0.16 H \nATOM 4179 HB2 ARG A 263 24.593 19.491 36.617 1.00 0.03 H \nATOM 4180 HB3 ARG A 263 25.542 18.071 36.057 1.00 0.03 H \nATOM 4181 HG2 ARG A 263 27.112 19.520 34.891 1.00 0.03 H \nATOM 4182 HG3 ARG A 263 26.121 20.967 35.280 1.00 0.03 H \nATOM 4183 HD2 ARG A 263 27.333 21.225 37.189 1.00 0.07 H \nATOM 4184 HD3 ARG A 263 26.652 19.674 37.788 1.00 0.07 H \nATOM 4185 HE ARG A 263 29.341 20.170 36.708 1.00 0.35 H \nATOM 4186 HH12 ARG A 263 28.124 16.375 37.533 1.00 0.45 H \nATOM 4187 HH11 ARG A 263 26.901 17.672 37.484 1.00 0.45 H \nATOM 4188 HH22 ARG A 263 30.300 16.830 37.128 1.00 0.45 H \nATOM 4189 HH21 ARG A 263 30.826 18.493 36.754 1.00 0.45 H \nATOM 4190 H ARG A 263 23.066 17.712 35.797 1.00 0.27 H \nATOM 4191 N TRP A 264 25.293 17.049 33.405 1.00 -0.42 N \nATOM 4192 CA TRP A 264 25.895 16.408 32.253 1.00 -0.03 C \nATOM 4193 C TRP A 264 25.051 16.525 30.974 1.00 0.60 C \nATOM 4194 O TRP A 264 25.577 16.757 29.869 1.00 -0.57 O \nATOM 4195 CB TRP A 264 26.197 14.930 32.533 1.00 -0.01 C \nATOM 4196 CG TRP A 264 26.852 14.313 31.370 1.00 -0.14 C \nATOM 4197 CD1 TRP A 264 28.125 14.520 30.971 1.00 -0.16 C \nATOM 4198 CD2 TRP A 264 26.271 13.415 30.407 1.00 0.12 C \nATOM 4199 NE1 TRP A 264 28.386 13.807 29.837 1.00 -0.34 N \nATOM 4200 CE2 TRP A 264 27.268 13.118 29.465 1.00 0.14 C \nATOM 4201 CE3 TRP A 264 25.002 12.861 30.233 1.00 -0.24 C \nATOM 4202 CZ2 TRP A 264 27.066 12.247 28.407 1.00 -0.26 C \nATOM 4203 CZ3 TRP A 264 24.787 11.997 29.170 1.00 -0.20 C \nATOM 4204 CH2 TRP A 264 25.804 11.720 28.257 1.00 -0.11 C \nATOM 4205 HA TRP A 264 26.851 16.918 32.064 1.00 0.11 H \nATOM 4206 HB2 TRP A 264 26.862 14.855 33.406 1.00 0.03 H \nATOM 4207 HB3 TRP A 264 25.256 14.401 32.742 1.00 0.03 H \nATOM 4208 HE1 TRP A 264 29.287 13.791 29.339 1.00 0.34 H \nATOM 4209 HD1 TRP A 264 28.841 15.163 31.481 1.00 0.21 H \nATOM 4210 HZ2 TRP A 264 27.869 11.991 27.725 1.00 0.16 H \nATOM 4211 HH2 TRP A 264 25.596 11.075 27.411 1.00 0.14 H \nATOM 4212 HZ3 TRP A 264 23.816 11.531 29.047 1.00 0.14 H \nATOM 4213 HE3 TRP A 264 24.197 13.102 30.918 1.00 0.17 H \nATOM 4214 H TRP A 264 25.061 16.507 34.213 1.00 0.27 H \nATOM 4215 N TYR A 265 23.739 16.315 31.117 1.00 -0.42 N \nATOM 4216 CA TYR A 265 22.821 16.396 29.997 1.00 -0.00 C \nATOM 4217 C TYR A 265 22.952 17.755 29.276 1.00 0.60 C \nATOM 4218 O TYR A 265 22.838 17.847 28.047 1.00 -0.57 O \nATOM 4219 CB TYR A 265 21.399 16.204 30.499 1.00 -0.02 C \nATOM 4220 CG TYR A 265 20.378 16.071 29.390 1.00 -0.00 C \nATOM 4221 CD1 TYR A 265 19.734 17.180 28.862 1.00 -0.19 C \nATOM 4222 CD2 TYR A 265 20.013 14.812 28.921 1.00 -0.19 C \nATOM 4223 CE1 TYR A 265 18.789 17.040 27.834 1.00 -0.23 C \nATOM 4224 CE2 TYR A 265 19.055 14.654 27.966 1.00 -0.23 C \nATOM 4225 CZ TYR A 265 18.465 15.744 27.410 1.00 0.32 C \nATOM 4226 OH TYR A 265 17.569 15.535 26.424 1.00 -0.56 O \nATOM 4227 HA TYR A 265 23.060 15.594 29.283 1.00 0.09 H \nATOM 4228 HB3 TYR A 265 21.367 15.292 31.113 1.00 0.03 H \nATOM 4229 HB2 TYR A 265 21.129 17.072 31.118 1.00 0.03 H \nATOM 4230 HD2 TYR A 265 20.504 13.935 29.326 1.00 0.17 H \nATOM 4231 HE2 TYR A 265 18.763 13.659 27.650 1.00 0.17 H \nATOM 4232 HE1 TYR A 265 18.324 17.908 27.381 1.00 0.17 H \nATOM 4233 HD1 TYR A 265 19.963 18.167 29.248 1.00 0.17 H \nATOM 4234 HH TYR A 265 17.231 16.370 26.121 1.00 0.40 H \nATOM 4235 H TYR A 265 23.379 16.095 32.024 1.00 0.27 H \nATOM 4236 N ASN A 266 23.208 18.784 30.056 1.00 -0.42 N \nATOM 4237 CA ASN A 266 23.357 20.146 29.563 1.00 0.01 C \nATOM 4238 C ASN A 266 24.804 20.613 29.365 1.00 0.60 C \nATOM 4239 O ASN A 266 25.036 21.795 29.138 1.00 -0.57 O \nATOM 4240 CB ASN A 266 22.630 21.086 30.507 1.00 -0.20 C \nATOM 4241 CG ASN A 266 21.134 20.967 30.371 1.00 0.71 C \nATOM 4242 OD1 ASN A 266 20.560 21.345 29.334 1.00 -0.59 O \nATOM 4243 ND2 ASN A 266 20.488 20.403 31.385 1.00 -0.92 N \nATOM 4244 HA ASN A 266 22.865 20.194 28.580 1.00 0.10 H \nATOM 4245 HB2 ASN A 266 22.914 20.842 31.541 1.00 0.08 H \nATOM 4246 HB3 ASN A 266 22.927 22.120 30.279 1.00 0.08 H \nATOM 4247 HD22 ASN A 266 19.494 20.298 31.348 1.00 0.42 H \nATOM 4248 HD21 ASN A 266 20.995 20.083 32.185 1.00 0.42 H \nATOM 4249 H ASN A 266 23.305 18.622 31.038 1.00 0.27 H \nATOM 4250 N LYS A 267 25.766 19.699 29.418 1.00 -0.35 N \nATOM 4251 CA LYS A 267 27.198 20.074 29.326 1.00 -0.24 C \nATOM 4252 C LYS A 267 27.643 20.199 27.854 1.00 0.73 C \nATOM 4253 O LYS A 267 27.402 19.287 27.062 1.00 -0.59 O \nATOM 4254 CB LYS A 267 28.041 19.038 30.067 1.00 -0.01 C \nATOM 4255 CG LYS A 267 29.517 19.183 29.968 1.00 0.02 C \nATOM 4256 CD LYS A 267 30.229 18.230 30.918 1.00 -0.05 C \nATOM 4257 CE LYS A 267 31.756 18.341 30.762 1.00 -0.01 C \nATOM 4258 NZ LYS A 267 32.488 17.570 31.784 1.00 -0.39 N \nATOM 4259 HA LYS A 267 27.337 21.051 29.812 1.00 0.14 H \nATOM 4260 HB2 LYS A 267 27.772 19.090 31.132 1.00 0.04 H \nATOM 4261 HB3 LYS A 267 27.776 18.047 29.670 1.00 0.04 H \nATOM 4262 HG2 LYS A 267 29.831 18.963 28.937 1.00 0.01 H \nATOM 4263 HG3 LYS A 267 29.794 20.217 30.223 1.00 0.01 H \nATOM 4264 HD2 LYS A 267 29.953 18.480 31.953 1.00 0.06 H \nATOM 4265 HD3 LYS A 267 29.918 17.199 30.695 1.00 0.06 H \nATOM 4266 HE2 LYS A 267 32.037 17.964 29.768 1.00 0.11 H \nATOM 4267 HE3 LYS A 267 32.043 19.400 30.847 1.00 0.11 H \nATOM 4268 HZ1 LYS A 267 32.232 16.597 31.718 1.00 0.34 H \nATOM 4269 HZ2 LYS A 267 33.480 17.668 31.632 1.00 0.34 H \nATOM 4270 HZ3 LYS A 267 32.252 17.918 32.700 1.00 0.34 H \nATOM 4271 H LYS A 267 25.519 18.736 29.522 1.00 0.27 H \nATOM 4272 N PRO A 268 28.233 21.331 27.461 1.00 -0.25 N \nATOM 4273 CA PRO A 268 28.707 21.468 26.076 1.00 -0.03 C \nATOM 4274 C PRO A 268 29.912 20.578 25.851 1.00 0.59 C \nATOM 4275 O PRO A 268 30.898 20.632 26.593 1.00 -0.57 O \nATOM 4276 CB PRO A 268 29.022 22.967 25.937 1.00 -0.01 C \nATOM 4277 CG PRO A 268 28.334 23.615 27.090 1.00 0.02 C \nATOM 4278 CD PRO A 268 28.420 22.589 28.209 1.00 0.02 C \nATOM 4279 HA PRO A 268 27.917 21.182 25.365 1.00 0.06 H \nATOM 4280 HD3 PRO A 268 27.624 22.737 28.954 1.00 0.04 H \nATOM 4281 HD2 PRO A 268 29.400 22.619 28.709 1.00 0.04 H \nATOM 4282 HG3 PRO A 268 27.285 23.835 26.843 1.00 0.02 H \nATOM 4283 HG2 PRO A 268 28.846 24.546 27.375 1.00 0.02 H \nATOM 4284 HB2 PRO A 268 30.107 23.140 25.987 1.00 0.03 H \nATOM 4285 HB3 PRO A 268 28.632 23.357 24.985 1.00 0.03 H \nATOM 4286 N LEU A 269 29.769 19.720 24.854 1.00 -0.42 N \nATOM 4287 CA LEU A 269 30.727 18.675 24.568 1.00 -0.05 C \nATOM 4288 C LEU A 269 31.032 18.640 23.076 1.00 0.60 C \nATOM 4289 O LEU A 269 32.161 18.381 22.691 1.00 -0.57 O \nATOM 4290 CB LEU A 269 30.165 17.302 24.958 1.00 -0.11 C \nATOM 4291 CG LEU A 269 29.918 16.980 26.431 1.00 0.35 C \nATOM 4292 CD1 LEU A 269 29.412 15.563 26.576 1.00 -0.41 C \nATOM 4293 CD2 LEU A 269 31.217 17.185 27.254 1.00 -0.41 C \nATOM 4294 HA LEU A 269 31.651 18.869 25.132 1.00 0.09 H \nATOM 4295 HB2 LEU A 269 29.200 17.193 24.441 1.00 0.05 H \nATOM 4296 HB3 LEU A 269 30.871 16.548 24.580 1.00 0.05 H \nATOM 4297 HG LEU A 269 29.150 17.667 26.816 1.00 -0.04 H \nATOM 4298 HD21 LEU A 269 31.551 18.229 27.158 1.00 0.10 H \nATOM 4299 HD22 LEU A 269 31.020 16.959 28.312 1.00 0.10 H \nATOM 4300 HD23 LEU A 269 32.001 16.512 26.875 1.00 0.10 H \nATOM 4301 HD11 LEU A 269 30.156 14.864 26.165 1.00 0.10 H \nATOM 4302 HD12 LEU A 269 29.248 15.339 27.640 1.00 0.10 H \nATOM 4303 HD13 LEU A 269 28.464 15.454 26.028 1.00 0.10 H \nATOM 4304 H LEU A 269 28.960 19.798 24.271 1.00 0.27 H \nATOM 4305 N LYS A 270 30.022 18.873 22.244 1.00 -0.35 N \nATOM 4306 CA LYS A 270 30.088 18.475 20.838 1.00 -0.24 C \nATOM 4307 C LYS A 270 29.786 19.608 19.837 1.00 0.73 C \nATOM 4308 O LYS A 270 28.783 20.327 19.940 1.00 -0.59 O \nATOM 4309 CB LYS A 270 29.153 17.269 20.557 1.00 -0.01 C \nATOM 4310 CG LYS A 270 29.371 16.646 19.152 1.00 0.02 C \nATOM 4311 CD LYS A 270 29.049 15.122 19.053 1.00 -0.05 C \nATOM 4312 CE LYS A 270 29.899 14.443 17.961 1.00 -0.01 C \nATOM 4313 NZ LYS A 270 29.169 13.564 17.016 1.00 -0.39 N \nATOM 4314 HA LYS A 270 31.121 18.148 20.650 1.00 0.14 H \nATOM 4315 HB2 LYS A 270 29.341 16.496 21.316 1.00 0.04 H \nATOM 4316 HB3 LYS A 270 28.110 17.610 20.631 1.00 0.04 H \nATOM 4317 HG2 LYS A 270 28.726 17.179 18.438 1.00 0.01 H \nATOM 4318 HG3 LYS A 270 30.425 16.792 18.873 1.00 0.01 H \nATOM 4319 HD2 LYS A 270 29.263 14.646 20.022 1.00 0.06 H \nATOM 4320 HD3 LYS A 270 27.984 14.995 18.809 1.00 0.06 H \nATOM 4321 HE2 LYS A 270 30.387 15.235 17.374 1.00 0.11 H \nATOM 4322 HE3 LYS A 270 30.665 13.834 18.462 1.00 0.11 H \nATOM 4323 HZ1 LYS A 270 28.463 14.100 16.536 1.00 0.34 H \nATOM 4324 HZ2 LYS A 270 29.816 13.183 16.344 1.00 0.34 H \nATOM 4325 HZ3 LYS A 270 28.732 12.812 17.526 1.00 0.34 H \nATOM 4326 H LYS A 270 29.201 19.329 22.586 1.00 0.27 H \nATOM 4327 N LYS A 271 30.662 19.714 18.842 1.00 -0.35 N \nATOM 4328 CA LYS A 271 30.504 20.654 17.743 1.00 -0.24 C \nATOM 4329 C LYS A 271 29.673 19.993 16.641 1.00 0.73 C \nATOM 4330 O LYS A 271 29.438 18.773 16.669 1.00 -0.59 O \nATOM 4331 CB LYS A 271 31.897 21.075 17.224 1.00 -0.01 C \nATOM 4332 CG LYS A 271 32.854 21.570 18.351 1.00 0.02 C \nATOM 4333 CD LYS A 271 33.591 22.867 18.012 1.00 -0.05 C \nATOM 4334 CE LYS A 271 34.497 23.296 19.184 1.00 -0.01 C \nATOM 4335 NZ LYS A 271 34.039 24.506 19.913 1.00 -0.39 N \nATOM 4336 HA LYS A 271 29.974 21.548 18.102 1.00 0.14 H \nATOM 4337 HB2 LYS A 271 32.361 20.209 16.728 1.00 0.04 H \nATOM 4338 HB3 LYS A 271 31.766 21.889 16.495 1.00 0.04 H \nATOM 4339 HG2 LYS A 271 32.260 21.737 19.262 1.00 0.01 H \nATOM 4340 HG3 LYS A 271 33.602 20.786 18.540 1.00 0.01 H \nATOM 4341 HD2 LYS A 271 34.209 22.709 17.116 1.00 0.06 H \nATOM 4342 HD3 LYS A 271 32.855 23.660 17.814 1.00 0.06 H \nATOM 4343 HE2 LYS A 271 34.547 22.463 19.901 1.00 0.11 H \nATOM 4344 HE3 LYS A 271 35.502 23.497 18.784 1.00 0.11 H \nATOM 4345 HZ1 LYS A 271 33.119 24.342 20.291 1.00 0.34 H \nATOM 4346 HZ2 LYS A 271 34.680 24.709 20.664 1.00 0.34 H \nATOM 4347 HZ3 LYS A 271 34.007 25.289 19.278 1.00 0.34 H \nATOM 4348 H LYS A 271 31.467 19.120 18.850 1.00 0.27 H \nATOM 4349 N GLY A 272 29.237 20.793 15.669 1.00 -0.42 N \nATOM 4350 CA GLY A 272 28.414 20.305 14.570 1.00 -0.03 C \nATOM 4351 C GLY A 272 28.933 19.084 13.808 1.00 0.60 C \nATOM 4352 O GLY A 272 29.996 18.513 14.129 1.00 -0.57 O \nATOM 4353 HA3 GLY A 272 27.428 20.045 14.983 1.00 0.07 H \nATOM 4354 HA2 GLY A 272 28.304 21.126 13.847 1.00 0.07 H \nATOM 4355 H GLY A 272 29.483 21.762 15.695 1.00 0.27 H \nATOM 4356 N ALA A 273 28.166 18.678 12.791 1.00 -0.42 N \nATOM 4357 CA ALA A 273 28.542 17.557 11.930 1.00 0.03 C \nATOM 4358 C ALA A 273 29.632 18.007 10.964 1.00 0.60 C \nATOM 4359 O ALA A 273 29.583 19.138 10.458 1.00 -0.57 O \nATOM 4360 CB ALA A 273 27.326 17.031 11.167 1.00 -0.18 C \nATOM 4361 HA ALA A 273 28.938 16.745 12.558 1.00 0.08 H \nATOM 4362 HB1 ALA A 273 27.630 16.190 10.527 1.00 0.06 H \nATOM 4363 HB2 ALA A 273 26.564 16.690 11.883 1.00 0.06 H \nATOM 4364 HB3 ALA A 273 26.909 17.835 10.543 1.00 0.06 H \nATOM 4365 H ALA A 273 27.306 19.157 12.613 1.00 0.27 H \nATOM 4366 N LYS A 274 30.605 17.124 10.716 1.00 -0.35 N \nATOM 4367 CA LYS A 274 31.811 17.448 9.931 1.00 -0.24 C \nATOM 4368 C LYS A 274 31.539 18.463 8.805 1.00 0.73 C \nATOM 4369 O LYS A 274 31.211 18.075 7.671 1.00 -0.59 O \nATOM 4370 CB LYS A 274 32.449 16.162 9.362 1.00 -0.01 C \nATOM 4371 CG LYS A 274 33.793 16.381 8.637 1.00 0.02 C \nATOM 4372 CD LYS A 274 34.382 15.070 8.099 1.00 -0.05 C \nATOM 4373 CE LYS A 274 35.336 15.298 6.917 1.00 -0.01 C \nATOM 4374 NZ LYS A 274 35.395 14.120 5.989 1.00 -0.39 N \nATOM 4375 HA LYS A 274 32.536 17.908 10.618 1.00 0.14 H \nATOM 4376 HB2 LYS A 274 32.618 15.464 10.196 1.00 0.04 H \nATOM 4377 HB3 LYS A 274 31.742 15.715 8.647 1.00 0.04 H \nATOM 4378 HG2 LYS A 274 33.633 17.070 7.794 1.00 0.01 H \nATOM 4379 HG3 LYS A 274 34.508 16.827 9.344 1.00 0.01 H \nATOM 4380 HD2 LYS A 274 34.936 14.573 8.909 1.00 0.06 H \nATOM 4381 HD3 LYS A 274 33.557 14.422 7.767 1.00 0.06 H \nATOM 4382 HE2 LYS A 274 34.992 16.176 6.351 1.00 0.11 H \nATOM 4383 HE3 LYS A 274 36.346 15.488 7.310 1.00 0.11 H \nATOM 4384 HZ1 LYS A 274 34.474 13.934 5.623 1.00 0.34 H \nATOM 4385 HZ2 LYS A 274 36.025 14.323 5.228 1.00 0.34 H \nATOM 4386 HZ3 LYS A 274 35.726 13.312 6.493 1.00 0.34 H \nATOM 4387 H LYS A 274 30.510 16.198 11.081 1.00 0.27 H \nATOM 4388 N ARG A 275 31.694 19.754 9.133 1.00 -0.35 N \nATOM 4389 CA ARG A 275 31.363 20.875 8.238 1.00 -0.26 C \nATOM 4390 C ARG A 275 29.853 20.886 7.958 1.00 0.73 C \nATOM 4391 O ARG A 275 29.391 20.482 6.886 1.00 -0.59 O \nATOM 4392 CB ARG A 275 32.219 20.824 6.955 1.00 -0.00 C \nATOM 4393 CG ARG A 275 31.750 21.684 5.766 1.00 0.04 C \nATOM 4394 CD ARG A 275 31.368 20.857 4.545 1.00 0.05 C \nATOM 4395 NE ARG A 275 31.600 21.554 3.283 1.00 -0.53 N \nATOM 4396 CZ ARG A 275 32.021 20.971 2.156 1.00 0.81 C \nATOM 4397 NH1 ARG A 275 32.276 19.662 2.099 1.00 -0.86 N \nATOM 4398 NH2 ARG A 275 32.189 21.708 1.066 1.00 -0.86 N \nATOM 4399 HA ARG A 275 31.610 21.811 8.760 1.00 0.16 H \nATOM 4400 HB2 ARG A 275 33.235 21.151 7.221 1.00 0.03 H \nATOM 4401 HB3 ARG A 275 32.248 19.778 6.617 1.00 0.03 H \nATOM 4402 HG2 ARG A 275 30.873 22.269 6.081 1.00 0.03 H \nATOM 4403 HG3 ARG A 275 32.565 22.367 5.485 1.00 0.03 H \nATOM 4404 HD2 ARG A 275 31.964 19.932 4.549 1.00 0.07 H \nATOM 4405 HD3 ARG A 275 30.300 20.605 4.614 1.00 0.07 H \nATOM 4406 HE ARG A 275 31.427 22.569 3.259 1.00 0.35 H \nATOM 4407 HH12 ARG A 275 32.599 19.238 1.218 1.00 0.45 H \nATOM 4408 HH11 ARG A 275 32.149 19.076 2.936 1.00 0.45 H \nATOM 4409 HH22 ARG A 275 32.513 21.269 0.192 1.00 0.45 H \nATOM 4410 HH21 ARG A 275 31.995 22.719 1.093 1.00 0.45 H \nATOM 4411 H ARG A 275 32.056 19.968 10.040 1.00 0.27 H \nATOM 4412 N PRO A 276 29.092 21.329 8.955 1.00 -0.25 N \nATOM 4413 CA PRO A 276 27.630 21.306 8.897 1.00 -0.03 C \nATOM 4414 C PRO A 276 27.056 22.610 8.353 1.00 0.59 C \nATOM 4415 CB PRO A 276 27.234 21.112 10.367 1.00 -0.01 C \nATOM 4416 CG PRO A 276 28.488 21.470 11.182 1.00 0.02 C \nATOM 4417 CD PRO A 276 29.572 21.887 10.228 1.00 0.02 C \nATOM 4418 HA PRO A 276 27.277 20.468 8.278 1.00 0.06 H \nATOM 4419 HD3 PRO A 276 30.543 21.455 10.513 1.00 0.04 H \nATOM 4420 HD2 PRO A 276 29.659 22.982 10.176 1.00 0.04 H \nATOM 4421 HG3 PRO A 276 28.818 20.594 11.759 1.00 0.02 H \nATOM 4422 HG2 PRO A 276 28.260 22.298 11.870 1.00 0.02 H \nATOM 4423 HB2 PRO A 276 26.400 21.779 10.632 1.00 0.03 H \nATOM 4424 HB3 PRO A 276 26.941 20.068 10.551 1.00 0.03 H \nTER 4425 PRO A 276 \nMASTER 0 0 0 0 0 0 0 0 4423 2 0 22 \nEND \n" }, { "path": "data/2br1_protein.ply", "content": "ply\nformat ascii 1.0\ncomment Generated by PyMesh\nelement vertex 662\nproperty float x\nproperty float y\nproperty float z\nproperty float charge\nproperty float hbond\nproperty float hphob\nproperty float nx\nproperty float ny\nproperty float nz\nproperty float si\nelement face 1205\nproperty list uchar int vertex_indices\nend_header\n17.902 9.231 6.665 -2.30325 -0.809112 -3.5 -0.991704 0.104421 0.074965 0.999931\n8.335 -6.026 20.888 -1.04103 0 3.8 0.742662 0.0921905 -0.66329 -0.999949\n14.902 -9.072 10.658 -0.513701 0 4.2 0.363526 0.561298 0.7435 -0.760149\n9.9875 -3.491 19.4915 -2.43446 -0.107954 -3.5 0.0886392 -0.440557 0.893338 -0.765171\n11.873 -0.369 8.5475 -0.441098 0 3.65083 0.495453 -0.0620761 0.866414 -0.74416\n12.184 -13.528 6.187 -1.50918 0 -3.5 -0.684756 -0.659645 0.309802 -0.999933\n20.546 -0.904 10.1355 -0.610615 0 -0.4 -0.361462 -0.634829 -0.682888 0.746732\n10.4765 -11.816 18.136 -0.238503 0 1.8 0.104714 0.596607 0.795673 -0.999923\n17.224 -14.319 12.58 -0.499813 0 -3.5 0.422114 -0.498428 0.757225 0.999867\n20.5185 -7.6855 22.2895 -1.61314 -0.101009 -3.5 -0.0335738 -0.985076 -0.168812 0.999958\n13.4438 5.135 2.098 -1.33278 -0.294761 1.8 -0.0349294 0.970796 0.23735 0.664782\n13.9165 -14.6655 9.86 -0.954505 0 -3.5 -0.27547 -0.635418 -0.72136 -0.713124\n19.9205 -10.301 3.1855 -0.355625 0 -0.7 0.836706 -0.45776 -0.300631 0.133704\n8.032 -1.702 15.563 0.70767 0 -3.5 0.181194 0.155501 -0.971076 -0.999882\n12.0505 -6.465 16.673 -1.0291 0.0304512 -3.24026 0.890335 0.25445 -0.377571 -0.0683483\n11.7935 8.8955 12.5225 -0.269287 -0.11767 -3.80809 -0.467764 0.825815 -0.315 -0.999944\n27.6855 5.4845 11.315 -0.170956 0.707706 -4.5 0.349862 -0.291042 -0.890444 0.680995\n17.811 -15.9525 7.1135 -1.57381 -0.296184 -3.5 0.855353 -0.414669 -0.310516 0.999944\n17.25 -15.373 6.35 -1.60774 -0.821552 -3.5 0.559828 -0.126102 -0.818958 0.999877\n16.787 -2.88 7.3435 -0.37222 0 3.8 -0.158625 0.405199 0.900362 -0.532289\n9.8855 -9.8325 17.8225 -0.71607 0 -1.3 0.143244 -0.314609 0.938351 -0.41458\n21.6055 -7.6155 22.297 -1.80594 -0.238905 -3.5 0.23936 -0.943297 -0.229996 0.99995\n27.7075 -2.127 13.47 -0.766282 0 -3.5 0.384881 0.0182192 -0.922787 0.707205\n18.87 8.4575 4.7375 -1.93078 0 -3.5 -0.518972 -0.515399 -0.681932 0.99994\n20.5385 7.3535 4.454 -0.483993 0 -3.5 -0.506312 -0.354456 -0.786135 0.9999\n24.616 -7.495 20.7585 -0.851183 0 2.8 -0.60648 -0.756265 -0.245447 -0.999937\n29.652 2.186 15.1785 0.0766487 0 -4.5 0.844509 -0.239217 -0.479144 -0.999922\n12.689 -2.661 15.7535 -0.734764 0 -3.5 0.321293 -0.347568 -0.88089 0.666061\n15.558 -15.4097 6.9435 -1.48426 -0.236393 -3.5 -0.584071 -0.790793 0.183054 -0.999913\n12.1973 -9.10275 13.6643 0.0242926 0 -1.3 0.278508 0.760456 -0.586634 -0.149054\n23.418 6.773 9.655 -2.34971 -0.353892 -3.5 0.92547 -0.173361 -0.336825 -0.755847\n18.4877 5.183 6.593 -0.0756246 0.491998 -0.8 0.0311936 0.400218 -0.915889 -0.999908\n10.5238 -8.26325 13.1493 0.0264486 0 -2.09298 0.810154 0.375255 -0.450372 -0.593557\n15.1419 4.55062 4.2035 -0.403626 0 -1.3 -0.0370339 0.964129 -0.262839 0.173618\n14.553 -12.9585 14.891 -0.123635 0 -0.4 0.748031 -0.414178 0.518562 0.611547\n28.6615 5.9165 12.057 -0.0453729 0 -4.5 0.65285 -0.242203 -0.717722 0.999941\n13.8413 6.69275 6.522 -0.646726 0 -3.5 0.478419 0.527119 -0.702325 0.76526\n25.517 7.24175 10.6777 -2.37777 -0.0375236 -3.5 0.208583 -0.294266 -0.932685 -0.999891\n10.747 7.30225 4.0625 -0.885092 0 -1.3 0.687584 0.14686 -0.711098 0.99994\n10.552 -4.321 19.3902 -2.00103 0 -3.5 -0.0467291 -0.0337684 0.998337 -0.565019\n13.4105 -11.936 16.4 0.377018 0 1.8 0.757109 0.203121 0.620909 0.062974\n10.5758 -3.334 10.1613 -0.331172 0 3.8 0.833902 0.0814935 0.545863 -0.724605\n9.0105 -1.68875 15.3255 -0.195255 0 -3.5 -0.284569 0.080474 -0.955272 -0.403081\n14.895 -1.947 15.5925 -0.553787 0.0332155 -0.8 0.0184154 -0.948224 -0.317069 0.662474\n16.0815 4.82425 0.5335 -0.211768 0.0503295 1.8 0.532181 0.614211 0.58269 0.999936\n20.4393 -8.95325 5.8175 -1.50486 0 -0.7 0.730401 -0.536266 0.423004 0.520056\n14.7415 -1.5245 13.115 -0.533173 0 3.8 -0.454193 -0.839825 -0.297326 0.999868\n20.166 -6.201 15.8915 -2.06042 -0.716726 -3.5 -0.336222 -0.921003 0.196745 0.560093\n17.788 8.1135 6.7135 -1.48454 -0.443397 -3.5 -0.960927 0.0360002 -0.274451 0.136361\n14.9135 9.8425 9.623 0.367568 -0.0289661 -3.85683 0.0430518 0.471879 -0.880612 -0.999929\n22.7465 7.2035 4.5145 -0.230655 0.053529 -3.32359 0.715583 -0.0839485 -0.693465 0.999906\n27.8892 6.686 11.352 -0.296817 0 -4.5 0.460558 -0.0508117 -0.886174 0.99994\n21.783 0.3165 3.8495 -1.49644 -0.481529 -1.3 0.892034 -0.041747 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-0.780201 0.999877\n16.8431 -11.3783 14.3425 -2.22642 -0.229843 -3.5 0.567573 -0.280766 0.773972 0.999819\n16.265 -16.18 9.2845 -0.694173 0 -3.5 -0.146792 -0.98718 -0.0626689 0.393726\n17.4152 -8.2085 10.6333 -0.341421 0 -0.4 -0.274924 0.637562 0.719675 0.487839\n19.8833 -1.04144 12.3586 -0.612421 0 1.01636 -0.405527 -0.726023 -0.555373 -0.380159\n18.9957 -11.8717 11.2262 -0.214778 0.471049 -3.5 0.913388 -0.116633 0.390025 0.546333\n10.3473 -6.16125 13.2624 1.44129 0 -3.9 0.992372 0.0567323 -0.109453 -0.69418\n13.2802 -9.076 11.9485 -0.169695 0 -0.4 -0.424401 0.896242 0.128972 0.194086\n25.9465 -5.71734 17.0382 -1.14461 -0.276353 -2.59114 -0.00838963 -0.866135 -0.49974 0.0452423\n19.4416 -4.28794 7.2675 -0.464641 0 3.8 0.671658 0.376204 0.638236 -0.386242\n25.0047 1.83925 10.2797 -1.15829 -0.0112694 -0.4 0.827588 -0.428712 -0.362359 0.233282\n9.44344 2.2755 12.7909 -0.808085 0 4.2 -0.497154 -0.61427 0.612789 -0.999886\n24.4702 4.2955 8.65862 -0.614609 0 -0.4 0.776434 0.451507 -0.43965 0.660517\n12.0793 -8.43431 10.0466 -0.0655094 0 2.92611 -0.413157 -0.390969 0.822462 -0.999832\n11.5112 -1.38737 8.83291 -0.393937 0 3.8 0.612131 0.0703863 0.787617 -0.528971\n7.78825 -1.0645 11.7102 -0.493374 0 3.8 0.28433 -0.215949 0.934089 -0.64609\n28.0765 -3.77506 15.5678 -1.86847 0 -3.5 0.891051 -0.446472 -0.0817996 -0.0175483\n11.0889 -6.88228 11.3106 -0.0180836 0 -1.74136 0.407608 -0.271155 0.87197 -0.151432\n17.411 5.988 6.338 -0.847057 -0.191699 -1.3 0.00319561 0.584441 -0.81143 0.121432\n22.3854 -6.74844 1.77237 -0.71526 0 -3.5 0.820587 -0.570523 -0.0337708 0.224258\n15.56 8.62403 9.00169 -1.41781 -0.441948 -3.5 0.0329434 0.500604 -0.865049 -0.23786\n20.0624 -0.446406 2.33694 -0.698378 0 3.8 0.912705 -0.0261435 -0.407781 -0.0397425\n16.4616 1.07938 9.20409 -0.173123 0.16298 2.5 -0.272087 -0.950434 0.150479 -0.0641914\n20.2652 -7.899 9.67169 -1.64086 -0.392659 1.41422 0.706888 0.138021 0.693729 0.305695\n21.8188 0.965125 7.49087 -0.861651 -0.133123 -0.8 0.0803029 -0.996531 0.02183 -0.329817\n19.2197 0.541594 0.718844 -0.450204 0 3.8 0.709674 0.471308 -0.523671 0.251029\n10.5335 -0.500125 13.0706 -0.475949 0.227215 1.42003 -0.131003 -0.970436 0.202714 0.187215\n19.1163 -2.15097 13.8373 -0.898732 0 3.8 -0.340565 -0.657461 -0.672131 -0.300413\n25.8803 -2.21121 13.425 -1.52351 0 -3.5 0.126767 0.109668 -0.985851 -0.601921\n18.6558 -2.83525 15.1552 -1.49571 -0.273205 -1.14156 -0.500898 -0.64527 -0.576826 -0.603884\n22.2862 -2.99775 13.6455 -0.660953 0.11446 -3.5 0.249632 -0.623704 -0.740728 -0.673505\n25.7895 -7.09106 18.3272 -0.657136 0 2.8 -0.361234 -0.750428 -0.553505 0.741856\n11.7453 -9.82072 12.8227 0.242091 0 -1.15905 0.179516 0.657715 -0.731564 -0.157981\n21.234 -6.149 15.57 -2.2383 -0.742944 -3.5 0.395121 -0.916935 0.0557642 0.578662\n3 434 637 433\n3 434 264 637\n3 561 433 637\n3 434 433 403\n3 434 217 264\n3 264 294 637\n3 403 433 561\n3 626 561 637\n3 19 434 403\n3 217 434 19\n3 264 217 447\n3 294 264 504\n3 294 532 637\n3 561 176 403\n3 59 561 626\n3 626 637 569\n3 407 19 403\n3 516 217 19\n3 217 612 447\n3 264 447 272\n3 504 264 272\n3 449 294 504\n3 294 182 532\n3 637 532 569\n3 59 176 561\n3 227 403 176\n3 59 626 164\n3 569 538 626\n3 407 324 19\n3 227 407 403\n3 217 516 612\n3 19 324 516\n3 271 447 612\n3 447 505 272\n3 272 457 504\n3 182 294 449\n3 449 504 651\n3 532 182 622\n3 81 569 532\n3 228 176 59\n3 227 176 510\n3 164 626 370\n3 416 59 164\n3 538 569 81\n3 538 454 626\n3 407 526 324\n3 283 407 227\n3 507 612 516\n3 516 324 305\n3 625 447 271\n3 338 271 612\n3 625 505 447\n3 272 505 457\n3 119 504 457\n3 362 182 449\n3 504 119 651\n3 70 449 651\n3 182 362 622\n3 595 532 622\n3 595 81 532\n3 176 228 510\n3 416 228 59\n3 227 510 283\n3 370 626 250\n3 370 416 164\n3 538 81 595\n3 538 624 454\n3 454 250 626\n3 407 283 526\n3 305 324 526\n3 123 612 507\n3 507 516 615\n3 615 516 305\n3 625 271 338\n3 612 123 338\n3 625 521 505\n3 457 505 631\n3 119 457 631\n3 70 362 449\n3 119 367 651\n3 70 651 156\n3 299 622 362\n3 310 595 622\n3 323 510 228\n3 228 416 652\n3 527 283 510\n3 250 136 370\n3 130 416 370\n3 538 595 230\n3 230 624 538\n3 454 624 363\n3 250 454 363\n3 283 650 526\n3 305 526 466\n3 123 507 169\n3 507 615 642\n3 305 466 615\n3 172 625 338\n3 123 169 338\n3 258 521 625\n3 263 505 521\n3 631 505 263\n3 119 631 367\n3 362 70 156\n3 565 651 367\n3 651 573 156\n3 622 299 332\n3 382 299 362\n3 586 595 310\n3 332 310 622\n3 323 409 510\n3 652 323 228\n3 304 652 416\n3 527 650 283\n3 527 510 409\n3 649 136 250\n3 130 370 136\n3 304 416 130\n3 53 230 595\n3 551 624 230\n3 624 252 363\n3 343 250 363\n3 531 526 650\n3 531 466 526\n3 169 507 240\n3 4 642 615\n3 240 507 642\n3 466 542 615\n3 172 258 625\n3 172 338 114\n3 338 169 114\n3 521 258 582\n3 521 107 263\n3 313 631 263\n3 364 367 631\n3 382 362 156\n3 573 651 565\n3 565 367 364\n3 156 573 382\n3 332 299 45\n3 382 117 299\n3 595 586 53\n3 310 326 586\n3 332 326 310\n3 323 485 409\n3 652 485 323\n3 652 304 94\n3 490 650 527\n3 206 527 409\n3 136 649 52\n3 649 250 343\n3 52 130 136\n3 52 304 130\n3 53 315 230\n3 551 166 624\n3 230 223 551\n3 166 252 624\n3 252 343 363\n3 650 398 531\n3 531 542 466\n3 240 574 169\n3 486 642 4\n3 615 542 4\n3 151 240 642\n3 172 256 258\n3 172 114 256\n3 145 114 169\n3 258 550 582\n3 582 2 521\n3 521 2 107\n3 263 107 313\n3 313 364 631\n3 356 573 565\n3 364 296 565\n3 382 573 163\n3 299 117 45\n3 45 397 332\n3 382 163 117\n3 315 53 586\n3 586 326 55\n3 332 397 326\n3 206 409 485\n3 503 485 652\n3 419 94 304\n3 94 552 652\n3 490 398 650\n3 490 527 422\n3 527 206 422\n3 52 649 418\n3 343 440 649\n3 304 52 489\n3 223 230 315\n3 551 253 166\n3 551 223 365\n3 166 593 252\n3 440 343 252\n3 531 398 350\n3 531 202 542\n3 240 151 574\n3 145 169 574\n3 470 642 486\n3 486 4 239\n3 239 4 542\n3 642 470 151\n3 256 550 258\n3 114 645 256\n3 145 487 114\n3 550 635 582\n3 269 2 582\n3 269 107 2\n3 107 149 313\n3 313 546 364\n3 356 243 573\n3 633 356 565\n3 296 364 546\n3 565 296 633\n3 163 573 594\n3 117 618 45\n3 45 618 397\n3 163 618 117\n3 315 586 647\n3 309 55 326\n3 586 55 82\n3 12 326 397\n3 206 485 6\n3 368 485 503\n3 503 652 552\n3 94 419 427\n3 419 304 489\n3 94 427 552\n3 378 398 490\n3 490 422 557\n3 206 88 422\n3 649 200 418\n3 489 52 418\n3 649 440 564\n3 315 365 223\n3 558 253 551\n3 253 593 166\n3 551 365 558\n3 440 252 593\n3 378 350 398\n3 202 531 350\n3 239 542 202\n3 41 574 151\n3 128 145 574\n3 486 75 470\n3 486 239 380\n3 41 151 470\n3 550 256 645\n3 487 645 114\n3 128 487 145\n3 550 621 635\n3 635 269 582\n3 269 149 107\n3 149 546 313\n3 390 243 356\n3 243 594 573\n3 356 633 390\n3 296 546 170\n3 69 633 296\n3 594 618 163\n3 399 397 618\n3 82 647 586\n3 647 365 315\n3 309 82 55\n3 326 570 309\n3 12 570 326\n3 12 397 399\n3 485 368 6\n3 174 206 6\n3 249 368 503\n3 503 552 207\n3 427 419 474\n3 489 383 419\n3 427 194 552\n3 490 455 378\n3 422 524 557\n3 557 455 490\n3 174 88 206\n3 422 88 524\n3 200 649 653\n3 200 78 418\n3 66 489 418\n3 564 440 616\n3 564 653 649\n3 404 253 558\n3 404 593 253\n3 558 365 317\n3 593 126 440\n3 378 319 350\n3 350 319 202\n3 380 239 202\n3 128 574 41\n3 406 75 486\n3 654 470 75\n3 486 380 406\n3 619 41 470\n3 641 550 645\n3 487 456 645\n3 128 412 487\n3 641 621 550\n3 458 635 621\n3 269 635 149\n3 546 149 213\n3 390 142 243\n3 594 243 167\n3 390 633 601\n3 170 546 327\n3 296 170 69\n3 519 633 69\n3 618 594 479\n3 479 399 618\n3 82 605 647\n3 365 647 437\n3 82 309 605\n3 410 570 12\n3 453 12 399\n3 368 174 6\n3 468 368 249\n3 187 249 503\n3 207 552 194\n3 503 207 187\n3 419 383 474\n3 387 427 474\n3 383 489 104\n3 427 387 194\n3 455 319 378\n3 524 341 557\n3 455 557 101\n3 632 88 174\n3 88 632 524\n3 653 329 200\n3 200 329 78\n3 418 78 279\n3 66 104 489\n3 279 66 418\n3 440 126 616\n3 616 386 564\n3 564 386 653\n3 558 317 404\n3 404 450 593\n3 365 437 317\n3 450 126 593\n3 380 202 319\n3 41 619 128\n3 406 413 75\n3 619 470 654\n3 413 654 75\n3 406 380 623\n3 281 641 645\n3 456 487 412\n3 645 456 467\n3 619 412 128\n3 183 621 641\n3 377 635 458\n3 458 621 183\n3 635 213 149\n3 428 546 213\n3 601 142 390\n3 167 243 142\n3 445 594 167\n3 601 633 371\n3 327 546 428\n3 170 327 629\n3 519 69 170\n3 371 633 519\n3 445 479 594\n3 399 479 453\n3 437 647 605\n3 410 12 453\n3 368 468 174\n3 249 353 468\n3 249 187 353\n3 194 638 207\n3 187 207 638\n3 383 459 474\n3 387 474 541\n3 547 383 104\n3 387 421 194\n3 623 319 455\n3 280 341 524\n3 341 462 557\n3 101 557 374\n3 455 101 340\n3 212 632 174\n3 280 524 632\n3 522 329 653\n3 201 78 329\n3 279 78 201\n3 104 66 547\n3 66 279 515\n3 386 522 653\n3 317 450 404\n3 317 437 336\n3 380 319 623\n3 623 413 406\n3 277 619 654\n3 413 140 654\n3 533 641 281\n3 281 645 478\n3 634 456 412\n3 456 634 467\n3 478 645 467\n3 611 412 619\n3 533 183 641\n3 377 660 635\n3 377 458 529\n3 308 458 183\n3 213 635 493\n3 428 213 215\n3 142 601 389\n3 167 142 108\n3 445 167 108\n3 601 371 534\n3 629 327 428\n3 629 519 170\n3 371 519 8\n3 445 192 479\n3 453 479 620\n3 174 468 212\n3 468 353 191\n3 219 353 187\n3 421 638 194\n3 219 187 638\n3 383 547 459\n3 474 459 541\n3 541 640 387\n3 421 387 640\n3 623 455 413\n3 341 280 462\n3 462 374 557\n3 374 46 101\n3 340 101 46\n3 340 185 455\n3 451 632 212\n3 280 632 655\n3 530 329 522\n3 201 329 530\n3 100 279 201\n3 66 515 547\n3 279 100 515\n3 386 148 522\n3 336 450 317\n3 277 506 619\n3 87 277 654\n3 185 140 413\n3 292 654 140\n3 533 281 190\n3 478 235 281\n3 412 501 634\n3 634 411 467\n3 32 478 467\n3 412 611 361\n3 619 506 611\n3 533 308 183\n3 377 529 660\n3 660 493 635\n3 529 458 308\n3 493 215 213\n3 215 492 428\n3 389 601 56\n3 142 389 108\n3 445 108 192\n3 534 371 8\n3 601 534 484\n3 513 629 428\n3 629 498 519\n3 8 519 498\n3 563 479 192\n3 479 563 620\n3 58 212 468\n3 353 171 191\n3 468 191 58\n3 171 353 219\n3 638 421 525\n3 219 638 278\n3 459 547 357\n3 388 541 459\n3 541 471 640\n3 421 640 525\n3 455 185 413\n3 280 655 462\n3 374 462 267\n3 267 46 374\n3 46 511 340\n3 185 340 260\n3 655 632 451\n3 451 212 58\n3 530 522 276\n3 530 224 201\n3 224 100 201\n3 515 307 547\n3 515 100 286\n3 276 522 148\n3 277 643 506\n3 496 277 87\n3 654 181 87\n3 140 185 292\n3 508 654 292\n3 281 235 190\n3 533 190 242\n3 235 478 306\n3 361 501 412\n3 501 411 634\n3 32 467 411\n3 32 660 478\n3 83 361 611\n3 72 611 506\n3 533 381 308\n3 488 660 529\n3 29 493 660\n3 308 381 529\n3 254 215 493\n3 492 215 254\n3 293 428 492\n3 484 56 601\n3 165 389 56\n3 389 563 108\n3 563 192 108\n3 534 8 248\n3 534 372 484\n3 513 498 629\n3 428 293 513\n3 8 498 248\n3 620 563 321\n3 171 161 191\n3 191 303 58\n3 278 171 219\n3 525 606 638\n3 111 278 638\n3 307 357 547\n3 388 459 357\n3 471 541 388\n3 471 118 640\n3 627 525 640\n3 462 655 567\n3 567 267 462\n3 511 46 267\n3 511 260 340\n3 260 292 185\n3 655 451 379\n3 451 58 658\n3 276 614 530\n3 224 530 536\n3 189 100 224\n3 112 307 515\n3 566 286 100\n3 359 515 286\n3 401 643 277\n3 643 396 506\n3 401 277 496\n3 496 87 639\n3 508 181 654\n3 181 311 87\n3 461 508 292\n3 190 235 306\n3 242 190 528\n3 242 381 533\n3 306 478 488\n3 501 361 61\n3 610 411 501\n3 32 411 262\n3 262 660 32\n3 660 488 478\n3 405 361 83\n3 83 611 259\n3 72 259 611\n3 72 506 396\n3 488 529 381\n3 254 493 29\n3 660 262 29\n3 432 492 254\n3 40 293 492\n3 394 56 484\n3 563 389 165\n3 165 56 394\n3 248 523 534\n3 523 372 534\n3 372 394 484\n3 513 199 498\n3 34 513 293\n3 266 248 498\n3 321 563 448\n3 197 620 321\n3 161 171 585\n3 191 161 303\n3 303 349 58\n3 278 585 171\n3 60 606 525\n3 111 638 606\n3 278 111 77\n3 357 307 50\n3 388 357 333\n3 471 388 473\n3 118 471 495\n3 118 627 640\n3 627 285 525\n3 567 655 657\n3 375 267 567\n3 375 511 267\n3 604 260 511\n3 292 260 157\n3 379 451 268\n3 537 655 379\n3 58 349 658\n3 210 451 658\n3 530 614 536\n3 224 536 189\n3 566 100 189\n3 297 307 112\n3 112 515 359\n3 566 198 286\n3 286 198 359\n3 643 401 555\n3 643 555 396\n3 600 401 496\n3 87 311 639\n3 496 639 579\n3 245 181 508\n3 311 181 245\n3 508 461 257\n3 157 461 292\n3 190 306 528\n3 242 528 381\n3 306 488 528\n3 61 361 405\n3 501 61 554\n3 411 610 553\n3 246 610 501\n3 553 262 411\n3 97 405 83\n3 259 97 83\n3 259 72 396\n3 488 381 528\n3 29 262 254\n3 204 492 432\n3 254 553 432\n3 186 293 40\n3 40 492 204\n3 18 563 165\n3 17 165 394\n3 248 351 523\n3 523 630 372\n3 394 372 630\n3 513 34 199\n3 266 498 199\n3 186 34 293\n3 248 266 351\n3 129 448 563\n3 448 197 321\n3 585 656 161\n3 303 161 138\n3 349 303 67\n3 77 585 278\n3 606 60 556\n3 285 60 525\n3 606 548 111\n3 111 548 77\n3 297 50 307\n3 50 333 357\n3 333 473 388\n3 473 495 471\n3 118 495 30\n3 118 320 627\n3 285 627 318\n3 537 657 655\n3 567 657 588\n3 475 375 567\n3 43 511 375\n3 157 260 604\n3 604 511 43\n3 451 210 268\n3 537 379 268\n3 210 658 349\n3 284 536 614\n3 420 189 536\n3 282 566 189\n3 112 24 297\n3 112 359 24\n3 31 198 566\n3 205 359 198\n3 401 600 555\n3 396 555 238\n3 496 579 600\n3 596 639 311\n3 596 579 639\n3 245 508 335\n3 596 311 245\n3 461 554 257\n3 257 42 508\n3 461 157 554\n3 61 405 257\n3 257 554 61\n3 554 246 501\n3 610 261 553\n3 610 246 465\n3 553 254 262\n3 97 325 405\n3 97 259 105\n3 259 396 238\n3 251 204 432\n3 432 553 373\n3 186 40 477\n3 204 400 40\n3 18 129 563\n3 18 165 17\n3 523 351 314\n3 630 523 354\n3 630 347 394\n3 89 199 34\n3 199 89 266\n3 89 34 186\n3 351 266 289\n3 103 656 585\n3 138 161 656\n3 67 303 138\n3 499 349 67\n3 77 452 585\n3 285 556 60\n3 556 548 606\n3 548 452 77\n3 50 143 333\n3 473 333 143\n3 131 495 473\n3 90 30 495\n3 118 30 320\n3 627 320 37\n3 37 318 627\n3 216 285 318\n3 537 443 657\n3 443 588 657\n3 475 567 588\n3 475 559 375\n3 375 559 43\n3 27 157 604\n3 559 604 43\n3 392 268 210\n3 268 392 537\n3 349 177 210\n3 577 536 284\n3 614 44 284\n3 189 420 282\n3 420 536 577\n3 282 646 566\n3 359 358 24\n3 198 31 205\n3 31 566 646\n3 359 205 358\n3 555 600 491\n3 555 105 238\n3 600 579 491\n3 579 596 68\n3 42 335 508\n3 245 335 481\n3 596 245 481\n3 42 257 405\n3 554 157 27\n3 554 465 246\n3 14 261 610\n3 373 553 261\n3 610 465 144\n3 97 105 325\n3 13 405 325\n3 105 259 238\n3 251 543 204\n3 251 432 373\n3 477 40 436\n3 545 186 477\n3 204 543 400\n3 40 400 436\n3 314 351 74\n3 523 314 354\n3 630 354 476\n3 476 347 630\n3 64 266 89\n3 135 89 186\n3 64 289 266\n3 74 351 289\n3 103 584 656\n3 103 585 535\n3 138 656 584\n3 628 67 138\n3 349 499 177\n3 499 67 628\n3 535 585 452\n3 216 556 285\n3 556 395 548\n3 548 539 452\n3 90 495 131\n3 30 90 320\n3 37 179 318\n3 16 216 318\n3 443 537 244\n3 431 588 443\n3 475 588 208\n3 475 113 559\n3 604 369 27\n3 337 604 559\n3 392 210 116\n3 439 537 392\n3 116 210 177\n3 568 577 284\n3 568 284 44\n3 282 420 236\n3 236 420 577\n3 236 646 282\n3 205 31 115\n3 115 31 646\n3 115 358 205\n3 555 491 209\n3 555 209 105\n3 491 579 68\n3 596 79 68\n3 335 42 13\n3 335 426 481\n3 481 79 596\n3 42 405 13\n3 554 27 369\n3 369 465 554\n3 178 261 14\n3 144 14 610\n3 373 261 178\n3 465 287 144\n3 325 105 209\n3 13 325 106\n3 251 316 543\n3 251 373 146\n3 155 477 436\n3 186 545 135\n3 430 545 477\n3 543 232 400\n3 436 400 232\n3 11 476 354\n3 347 476 28\n3 64 89 135\n3 135 289 64\n3 417 74 289\n3 584 103 22\n3 535 162 103\n3 628 138 584\n3 265 177 499\n3 628 549 499\n3 535 452 539\n3 556 216 509\n3 395 556 598\n3 395 539 548\n3 179 16 318\n3 216 16 441\n3 244 537 439\n3 120 443 244\n3 588 431 208\n3 431 443 173\n3 113 475 208\n3 559 113 337\n3 369 604 342\n3 337 342 604\n3 116 220 392\n3 392 220 439\n3 661 116 177\n3 587 577 568\n3 577 33 236\n3 646 236 247\n3 312 115 646\n3 115 302 358\n3 209 491 426\n3 68 79 491\n3 106 335 13\n3 335 106 426\n3 426 79 481\n3 465 369 287\n3 178 14 144\n3 146 373 178\n3 346 144 287\n3 106 325 209\n3 146 316 251\n3 316 20 543\n3 155 430 477\n3 155 436 232\n3 607 135 545\n3 545 430 607\n3 7 232 543\n3 11 344 476\n3 354 583 11\n3 518 28 476\n3 135 607 289\n3 417 289 607\n3 103 162 22\n3 584 22 514\n3 85 162 535\n3 628 584 152\n3 265 512 177\n3 499 225 265\n3 628 152 549\n3 549 225 499\n3 599 535 539\n3 441 509 216\n3 509 598 556\n3 539 395 598\n3 179 51 16\n3 35 441 16\n3 439 47 244\n3 120 173 443\n3 244 47 120\n3 431 609 208\n3 173 562 431\n3 208 609 113\n3 337 113 609\n3 369 342 287\n3 95 342 337\n3 116 661 220\n3 220 47 439\n3 177 512 661\n3 33 577 587\n3 568 10 587\n3 33 339 236\n3 339 247 236\n3 96 646 247\n3 302 115 312\n3 96 312 646\n3 23 358 302\n3 426 491 79\n3 426 106 209\n3 444 178 144\n3 146 178 391\n3 144 346 444\n3 346 287 95\n3 146 93 316\n3 20 316 231\n3 543 20 124\n3 543 124 7\n3 344 11 583\n3 476 344 424\n3 476 424 518\n3 162 300 22\n3 514 22 300\n3 158 584 514\n3 162 85 300\n3 599 85 535\n3 152 584 158\n3 265 291 512\n3 225 291 265\n3 152 158 549\n3 221 225 549\n3 539 598 599\n3 441 502 509\n3 598 509 502\n3 16 51 35\n3 173 120 84\n3 446 120 47\n3 431 63 609\n3 414 562 173\n3 562 334 431\n3 337 609 415\n3 287 342 95\n3 337 415 95\n3 47 220 661\n3 446 661 512\n3 33 587 366\n3 568 80 10\n3 587 10 65\n3 33 366 339\n3 339 544 247\n3 247 73 96\n3 48 302 312\n3 141 312 96\n3 23 302 153\n3 391 178 444\n3 146 391 93\n3 346 233 444\n3 415 346 95\n3 231 316 93\n3 20 231 110\n3 168 124 20\n3 344 583 469\n3 344 408 424\n3 137 518 424\n3 514 300 360\n3 158 514 644\n3 99 300 85\n3 85 599 435\n3 512 291 460\n3 291 225 636\n3 158 159 549\n3 636 225 221\n3 549 159 221\n3 26 599 598\n3 598 502 125\n3 120 446 84\n3 414 173 84\n3 47 661 446\n3 431 334 63\n3 609 63 222\n3 414 580 562\n3 429 334 562\n3 415 609 222\n3 512 460 446\n3 544 366 587\n3 80 229 10\n3 10 229 65\n3 587 65 331\n3 366 544 339\n3 464 247 544\n3 464 73 247\n3 96 73 500\n3 153 302 48\n3 48 312 141\n3 96 500 141\n3 345 391 444\n3 330 93 391\n3 346 589 233\n3 345 444 233\n3 589 346 415\n3 231 93 139\n3 139 110 231\n3 110 168 20\n3 344 469 408\n3 483 424 408\n3 424 5 137\n3 360 300 99\n3 644 514 360\n3 158 644 150\n3 435 99 85\n3 288 460 291\n3 636 603 291\n3 158 150 159\n3 221 159 636\n3 26 598 125\n3 446 463 84\n3 414 84 348\n3 222 63 334\n3 414 175 580\n3 429 562 580\n3 334 429 572\n3 222 589 415\n3 446 460 463\n3 581 544 587\n3 613 65 229\n3 613 331 65\n3 587 331 581\n3 544 36 464\n3 464 384 73\n3 648 500 73\n3 0 153 48\n3 48 141 500\n3 391 345 472\n3 330 139 93\n3 472 330 391\n3 376 233 589\n3 345 233 273\n3 139 234 110\n3 168 110 234\n3 469 438 408\n3 483 608 424\n3 408 438 483\n3 5 424 608\n3 99 76 360\n3 322 644 360\n3 150 644 322\n3 76 99 435\n3 460 288 463\n3 291 603 288\n3 659 603 636\n3 159 150 636\n3 463 348 84\n3 348 175 414\n3 222 334 572\n3 132 580 175\n3 575 429 580\n3 572 429 575\n3 222 102 589\n3 544 581 590\n3 301 331 613\n3 331 602 581\n3 590 36 544\n3 193 464 36\n3 193 384 464\n3 648 73 384\n3 500 648 617\n3 617 0 48\n3 48 500 617\n3 345 560 472\n3 330 520 139\n3 520 330 472\n3 273 233 376\n3 376 589 255\n3 273 241 345\n3 520 234 139\n3 483 91 608\n3 438 91 483\n3 482 150 322\n3 270 463 288\n3 270 288 603\n3 180 603 659\n3 425 659 636\n3 636 150 482\n3 463 592 348\n3 348 592 175\n3 214 222 572\n3 132 575 580\n3 175 592 132\n3 572 575 352\n3 222 214 102\n3 102 255 589\n3 581 57 590\n3 602 331 301\n3 613 480 301\n3 581 602 57\n3 576 36 590\n3 193 36 576\n3 384 193 122\n3 648 384 122\n3 147 617 648\n3 345 39 560\n3 520 472 560\n3 328 273 376\n3 328 241 273\n3 345 241 423\n3 127 234 520\n3 270 226 463\n3 603 494 270\n3 92 603 180\n3 180 659 425\n3 425 636 160\n3 636 482 160\n3 592 463 226\n3 572 188 214\n3 9 575 132\n3 132 592 275\n3 352 188 572\n3 102 214 255\n3 590 57 98\n3 301 480 602\n3 57 602 38\n3 590 237 576\n3 576 122 193\n3 648 122 109\n3 290 147 648\n3 345 423 39\n3 560 39 218\n3 295 520 560\n3 328 517 241\n3 241 385 423\n3 127 154 234\n3 127 520 295\n3 270 494 226\n3 603 92 494\n3 180 25 92\n3 226 211 592\n3 402 214 188\n3 21 9 132\n3 592 211 275\n3 21 132 275\n3 188 352 54\n3 184 255 214\n3 98 57 38\n3 121 590 98\n3 602 480 203\n3 237 590 121\n3 237 591 576\n3 597 122 576\n3 597 109 122\n3 109 393 648\n3 648 49 290\n3 39 423 3\n3 3 218 39\n3 571 560 218\n3 560 571 295\n3 385 241 517\n3 385 196 423\n3 154 127 295\n3 494 211 226\n3 25 494 92\n3 214 402 184\n3 402 188 54\n3 275 211 274\n3 480 86 203\n3 121 133 237\n3 591 237 133\n3 576 591 597\n3 393 109 597\n3 49 648 393\n3 3 423 196\n3 196 218 3\n3 196 571 218\n3 295 571 1\n3 385 517 71\n3 196 385 442\n3 274 211 494\n3 25 274 494\n3 578 591 133\n3 355 597 591\n3 355 393 597\n3 196 442 571\n3 385 71 442\n3 591 578 540\n3 355 591 540\n3 497 540 578\n3 134 355 540\n3 540 497 298\n3 298 134 540\n3 195 298 497\n3 15 134 298\n3 195 15 298\n3 195 497 62\n" }, { "path": "data/2wtv_ligand.mol2", "content": "#\tName:\t\t\t2wtv_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:49:06 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:49:06 2018\n\n@MOLECULE\n2wtv_ligand\n 48 52 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 C13 0.2390 -8.1290 -4.3300 C.3 1 ZZL 0.3895 \n 2 C15 1.5590 -10.1680 -4.3770 C.2 1 ZZL 0.2776 \n 3 C17 1.0890 -12.5210 -5.1880 C.ar 1 ZZL 0.1900 \n 4 C20 1.7190 -14.4680 -3.8830 C.ar 1 ZZL -0.1500 \n 5 C21 2.2810 -13.6300 -2.9140 C.ar 1 ZZL -0.1500 \n 6 C22 2.2390 -12.2390 -3.0830 C.ar 1 ZZL 0.1900 \n 7 C24 2.9340 -9.5980 -4.6240 C.ar 1 ZZL 0.0862 \n 8 C26 5.0930 -9.7350 -5.6530 C.ar 1 ZZL 0.1770 \n 9 C28 5.4760 -8.5410 -5.0110 C.ar 1 ZZL -0.1500 \n 10 O01 9.5690 -4.9640 -0.1350 O.co2 1 ZZL -0.9000 \n 11 C02 8.7770 -4.1540 0.2010 C.2 1 ZZL 0.9790 \n 12 O03 9.1800 -2.9230 0.7240 O.co2 1 ZZL -0.9000 \n 13 C04 7.3020 -4.4660 0.0580 C.ar 1 ZZL -0.1790 \n 14 C05 6.9150 -5.6960 -0.4810 C.ar 1 ZZL -0.1500 \n 15 C06 5.5550 -5.9820 -0.6070 C.ar 1 ZZL -0.1500 \n 16 C07 4.6090 -5.0330 -0.1950 C.ar 1 ZZL 0.1000 \n 17 N08 3.2160 -5.3050 -0.4440 N.pl3 1 ZZL -0.6000 \n 18 C09 2.4760 -6.0720 -1.4070 C.ar 1 ZZL 0.7200 \n 19 N10 1.1010 -5.9200 -1.4820 N.ar 1 ZZL -0.6200 \n 20 C11 0.4110 -6.6000 -2.4270 C.ar 1 ZZL 0.1600 \n 21 C12 1.0880 -7.4230 -3.2650 C.ar 1 ZZL -0.1435 \n 22 N14 0.4600 -9.5510 -4.2780 N.2 1 ZZL -0.6960 \n 23 C16 1.6450 -11.6800 -4.2210 C.ar 1 ZZL 0.0862 \n 24 F18 0.5450 -11.9900 -6.3170 F 1 ZZL -0.1900 \n 25 C19 1.1230 -13.9090 -5.0180 C.ar 1 ZZL -0.1500 \n 26 F23 2.8150 -11.4270 -2.1510 F 1 ZZL -0.1900 \n 27 C25 3.8160 -10.2700 -5.4520 C.ar 1 ZZL -0.1500 \n 28 CL1 6.1860 -10.5820 -6.7780 Cl 1 ZZL -0.1770 \n 29 C29 4.5820 -7.8700 -4.1700 C.ar 1 ZZL -0.1500 \n 30 C30 3.3080 -8.4120 -3.9780 C.ar 1 ZZL 0.0000 \n 31 C31 2.4830 -7.5850 -3.1770 C.ar 1 ZZL 0.3100 \n 32 N32 3.1740 -6.9130 -2.2750 N.ar 1 ZZL -0.6200 \n 33 C33 4.9960 -3.8040 0.3330 C.ar 1 ZZL -0.1500 \n 34 C34 6.3570 -3.5220 0.4630 C.ar 1 ZZL -0.1500 \n 35 H1 0.5187 -7.7538 -5.3255 H 1 ZZL 0.0000 \n 36 H2 -0.8248 -7.9194 -4.1447 H 1 ZZL 0.0000 \n 37 H3 1.7453 -15.5441 -3.7549 H 1 ZZL 0.1500 \n 38 H4 2.7484 -14.0558 -2.0335 H 1 ZZL 0.1500 \n 39 H5 6.4703 -8.1395 -5.1698 H 1 ZZL 0.1500 \n 40 H6 7.6603 -6.4172 -0.7965 H 1 ZZL 0.1500 \n 41 H7 5.2325 -6.9308 -1.0203 H 1 ZZL 0.1500 \n 42 H8 2.6004 -4.8343 0.2345 H 1 ZZL 0.4000 \n 43 H9 -0.6639 -6.4886 -2.5124 H 1 ZZL 0.1500 \n 44 H10 0.6849 -14.5550 -5.7702 H 1 ZZL 0.1500 \n 45 H11 3.5227 -11.1944 -5.9362 H 1 ZZL 0.1500 \n 46 H12 4.8713 -6.9487 -3.6774 H 1 ZZL 0.1500 \n 47 H13 4.2518 -3.0774 0.6384 H 1 ZZL 0.1500 \n 48 H14 6.6788 -2.5733 0.8770 H 1 ZZL 0.1500 \n@BOND\n 1 21 1 1 \n 2 1 22 1 \n 3 2 7 1 \n 4 22 2 2 \n 5 2 23 1 \n 6 23 3 ar \n 7 3 24 1 \n 8 3 25 ar \n 9 5 4 ar \n 10 25 4 ar \n 11 6 5 ar \n 12 23 6 ar \n 13 6 26 1 \n 14 7 27 ar \n 15 7 30 ar \n 16 8 9 ar \n 17 27 8 ar \n 18 8 28 1 \n 19 9 29 ar \n 20 11 10 ar \n 21 11 12 ar \n 22 13 11 1 \n 23 14 13 ar \n 24 13 34 ar \n 25 15 14 ar \n 26 16 15 ar \n 27 17 16 1 \n 28 16 33 ar \n 29 18 17 1 \n 30 19 18 ar \n 31 18 32 ar \n 32 20 19 ar \n 33 20 21 ar \n 34 21 31 ar \n 35 29 30 ar \n 36 30 31 1 \n 37 31 32 ar \n 38 33 34 ar \n 39 1 35 1 \n 40 1 36 1 \n 41 4 37 1 \n 42 5 38 1 \n 43 9 39 1 \n 44 14 40 1 \n 45 15 41 1 \n 46 17 42 1 \n 47 20 43 1 \n 48 25 44 1 \n 49 27 45 1 \n 50 29 46 1 \n 51 33 47 1 \n 52 34 48 1 \n@SUBSTRUCTURE\n 1 ZZL 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 1 CR 3 CB 4 CB 5 CB 6 CB 7 CB 8 CB 9 CB 13 CB 14 CB 15 CB 16 CB \\\n18 CB 20 CB 21 CB 23 CB 25 CB 27 CB 29 CB 30 CB 31 CB \\\n33 CB 34 CB 11 CO2M 2 C=N 35 HC 36 HC 37 HC 38 HC 39 HC \\\n40 HC 41 HC 43 HC 44 HC 45 HC 46 HC 47 HC 48 HC 42 HNCC \\\n10 O2CM 12 O2CM 19 NPYD 32 NPYD 22 N=C 17 NC=N 24 F \\\n26 F 28 CL \n" }, { "path": "data/2wtv_protein.pdb", "content": "HEADER 2WTV_PROTEIN \nCOMPND 2WTV_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 12-MAR-16 \nSEQRES 1 A 165 LYS ARG GLN TRP ALA LEU GLU ASP PHE GLU ILE GLY ARG \nSEQRES 2 A 165 PRO LEU GLY LYS GLY LYS PHE GLY ASN VAL TYR LEU ALA \nSEQRES 3 A 165 ARG GLU LYS GLN SER LYS PHE ILE LEU ALA LEU LYS VAL \nSEQRES 4 A 165 LEU PHE LYS ALA GLN LEU GLU LYS ALA GLY VAL GLU HIS \nSEQRES 5 A 165 GLN LEU ARG ARG GLU VAL GLU ILE GLN SER HIS LEU ARG \nSEQRES 6 A 165 HIS PRO ASN ILE LEU ARG LEU TYR GLY TYR PHE HIS ASP \nSEQRES 7 A 165 ALA THR ARG VAL TYR LEU ILE LEU GLU TYR ALA PRO ARG \nSEQRES 8 A 165 GLY GLU VAL TYR LYS GLU LEU GLN LYS LEU SER LYS PHE \nSEQRES 9 A 165 ASP GLU GLN ARG THR ALA THR TYR ILE THR GLU LEU ALA \nSEQRES 10 A 165 ASN ALA LEU SER TYR CYS HIS SER LYS ARG VAL ILE HIS \nSEQRES 11 A 165 ARG ASP ILE LYS PRO GLU ASN LEU LEU LEU GLY SER ALA \nSEQRES 12 A 165 GLY GLU LEU LYS ILE ALA ASP PHE GLY TRP SER VAL HIS \nSEQRES 13 A 165 ALA PRO SER SER ARG ARG TPO TPO LEU \nSEQRES 1 A 99 GLY THR LEU ASP TYR LEU PRO PRO GLU MET ILE GLU GLY \nSEQRES 2 A 99 ARG MET HIS ASP GLU LYS VAL ASP LEU TRP SER LEU GLY \nSEQRES 3 A 99 VAL LEU CYS TYR GLU PHE LEU VAL GLY LYS PRO PRO PHE \nSEQRES 4 A 99 GLU ALA ASN THR TYR GLN GLU THR TYR LYS ARG ILE SER \nSEQRES 5 A 99 ARG VAL GLU PHE THR PHE PRO ASP PHE VAL THR GLU GLY \nSEQRES 6 A 99 ALA ARG ASP LEU ILE SER ARG LEU LEU LYS HIS ASN PRO \nSEQRES 7 A 99 SER GLN ARG PRO MET LEU ARG GLU VAL LEU GLU HIS PRO \nSEQRES 8 A 99 TRP ILE THR ALA ASN SER SER LYS \nHET TPO A 287 11 \nHET TPO A 288 11 \nATOM 1 N LYS A 125 -18.362 0.335 -13.458 1.00 -0.82 N \nATOM 2 CA LYS A 125 -18.823 0.741 -14.785 1.00 0.04 C \nATOM 3 C LYS A 125 -17.642 1.257 -15.607 1.00 0.62 C \nATOM 4 O LYS A 125 -17.478 0.916 -16.779 1.00 -0.50 O \nATOM 5 CB LYS A 125 -19.915 1.813 -14.668 1.00 -0.10 C \nATOM 6 CG LYS A 125 -20.471 2.303 -15.983 1.00 -0.16 C \nATOM 7 CD LYS A 125 -21.044 1.149 -16.812 1.00 -0.18 C \nATOM 8 CE LYS A 125 -22.341 0.626 -16.214 1.00 -0.04 C \nATOM 9 NZ LYS A 125 -23.343 1.723 -16.079 1.00 -0.14 N \nATOM 10 HA LYS A 125 -19.249 -0.136 -15.294 1.00 0.05 H \nATOM 11 HB2 LYS A 125 -20.745 1.392 -14.082 1.00 0.04 H \nATOM 12 HB3 LYS A 125 -19.490 2.676 -14.134 1.00 0.04 H \nATOM 13 HG2 LYS A 125 -21.270 3.032 -15.784 1.00 0.12 H \nATOM 14 HG3 LYS A 125 -19.665 2.788 -16.554 1.00 0.12 H \nATOM 15 HD2 LYS A 125 -21.239 1.505 -17.834 1.00 0.12 H \nATOM 16 HD3 LYS A 125 -20.309 0.331 -16.843 1.00 0.12 H \nATOM 17 HE2 LYS A 125 -22.750 -0.157 -16.869 1.00 0.10 H \nATOM 18 HE3 LYS A 125 -22.135 0.202 -15.220 1.00 0.10 H \nATOM 19 HZ1 LYS A 125 -23.531 2.120 -16.986 1.00 0.29 H \nATOM 20 HZ2 LYS A 125 -24.196 1.353 -15.690 1.00 0.29 H \nATOM 21 HZ3 LYS A 125 -22.978 2.438 -15.469 1.00 0.29 H \nATOM 22 H LYS A 125 -17.388 0.372 -13.234 1.00 0.30 H \nATOM 23 HNCA LYS A 125 -19.034 0.014 -12.761 1.00 0.30 H \nATOM 24 N ARG A 126 -16.818 2.072 -14.965 1.00 -0.35 N \nATOM 25 CA ARG A 126 -15.609 2.616 -15.566 1.00 -0.26 C \nATOM 26 C ARG A 126 -14.627 1.509 -16.006 1.00 0.73 C \nATOM 27 O ARG A 126 -14.462 0.503 -15.313 1.00 -0.59 O \nATOM 28 CB ARG A 126 -14.952 3.542 -14.547 1.00 -0.00 C \nATOM 29 CG ARG A 126 -13.707 4.202 -15.015 1.00 0.04 C \nATOM 30 CD ARG A 126 -12.695 4.121 -13.918 1.00 0.05 C \nATOM 31 NE ARG A 126 -12.879 5.155 -12.923 1.00 -0.53 N \nATOM 32 CZ ARG A 126 -12.058 6.190 -12.791 1.00 0.81 C \nATOM 33 NH1 ARG A 126 -11.026 6.309 -13.617 1.00 -0.86 N \nATOM 34 NH2 ARG A 126 -12.264 7.100 -11.839 1.00 -0.86 N \nATOM 35 HA ARG A 126 -15.889 3.201 -16.455 1.00 0.16 H \nATOM 36 HB2 ARG A 126 -15.676 4.327 -14.281 1.00 0.03 H \nATOM 37 HB3 ARG A 126 -14.709 2.949 -13.653 1.00 0.03 H \nATOM 38 HG2 ARG A 126 -13.327 3.689 -15.911 1.00 0.03 H \nATOM 39 HG3 ARG A 126 -13.912 5.256 -15.256 1.00 0.03 H \nATOM 40 HD2 ARG A 126 -12.782 3.140 -13.429 1.00 0.07 H \nATOM 41 HD3 ARG A 126 -11.691 4.225 -14.355 1.00 0.07 H \nATOM 42 HE ARG A 126 -13.686 5.085 -12.286 1.00 0.35 H \nATOM 43 HH12 ARG A 126 -10.382 7.107 -13.525 1.00 0.45 H \nATOM 44 HH11 ARG A 126 -10.869 5.603 -14.350 1.00 0.45 H \nATOM 45 HH22 ARG A 126 -11.622 7.900 -11.744 1.00 0.45 H \nATOM 46 HH21 ARG A 126 -13.065 7.003 -11.199 1.00 0.45 H \nATOM 47 H ARG A 126 -17.037 2.325 -14.023 1.00 0.27 H \nATOM 48 N GLN A 127 -13.978 1.708 -17.156 1.00 -0.42 N \nATOM 49 CA GLN A 127 -13.059 0.719 -17.728 1.00 -0.00 C \nATOM 50 C GLN A 127 -11.593 1.119 -17.567 1.00 0.60 C \nATOM 51 O GLN A 127 -11.174 2.182 -18.031 1.00 -0.57 O \nATOM 52 CB GLN A 127 -13.355 0.525 -19.213 1.00 -0.00 C \nATOM 53 CG GLN A 127 -12.292 -0.280 -19.947 1.00 -0.06 C \nATOM 54 CD GLN A 127 -12.257 -1.734 -19.503 1.00 0.70 C \nATOM 55 OE1 GLN A 127 -13.291 -2.408 -19.478 1.00 -0.61 O \nATOM 56 NE2 GLN A 127 -11.064 -2.228 -19.151 1.00 -0.94 N \nATOM 57 HA GLN A 127 -13.217 -0.236 -17.206 1.00 0.09 H \nATOM 58 HB2 GLN A 127 -14.317 0.000 -19.310 1.00 0.02 H \nATOM 59 HB3 GLN A 127 -13.428 1.516 -19.685 1.00 0.02 H \nATOM 60 HG2 GLN A 127 -12.504 -0.245 -21.026 1.00 0.04 H \nATOM 61 HG3 GLN A 127 -11.309 0.173 -19.752 1.00 0.04 H \nATOM 62 HE22 GLN A 127 -10.985 -3.179 -18.851 1.00 0.43 H \nATOM 63 HE21 GLN A 127 -10.251 -1.646 -19.188 1.00 0.43 H \nATOM 64 H GLN A 127 -14.125 2.567 -17.647 1.00 0.27 H \nATOM 65 N TRP A 128 -10.804 0.257 -16.935 1.00 -0.42 N \nATOM 66 CA TRP A 128 -9.412 0.596 -16.633 1.00 -0.03 C \nATOM 67 C TRP A 128 -8.434 0.347 -17.774 1.00 0.60 C \nATOM 68 O TRP A 128 -8.590 -0.603 -18.549 1.00 -0.57 O \nATOM 69 CB TRP A 128 -8.938 -0.150 -15.388 1.00 -0.01 C \nATOM 70 CG TRP A 128 -9.745 0.171 -14.194 1.00 -0.14 C \nATOM 71 CD1 TRP A 128 -10.684 -0.619 -13.606 1.00 -0.16 C \nATOM 72 CD2 TRP A 128 -9.710 1.389 -13.446 1.00 0.12 C \nATOM 73 NE1 TRP A 128 -11.232 0.029 -12.527 1.00 -0.34 N \nATOM 74 CE2 TRP A 128 -10.653 1.265 -12.407 1.00 0.14 C \nATOM 75 CE3 TRP A 128 -8.973 2.576 -13.555 1.00 -0.24 C \nATOM 76 CZ2 TRP A 128 -10.877 2.277 -11.475 1.00 -0.26 C \nATOM 77 CZ3 TRP A 128 -9.193 3.583 -12.633 1.00 -0.20 C \nATOM 78 CH2 TRP A 128 -10.137 3.426 -11.599 1.00 -0.11 C \nATOM 79 HA TRP A 128 -9.386 1.674 -16.413 1.00 0.11 H \nATOM 80 HB2 TRP A 128 -9.004 -1.231 -15.578 1.00 0.03 H \nATOM 81 HB3 TRP A 128 -7.891 0.124 -15.190 1.00 0.03 H \nATOM 82 HE1 TRP A 128 -11.961 -0.352 -11.907 1.00 0.34 H \nATOM 83 HD1 TRP A 128 -10.960 -1.618 -13.942 1.00 0.21 H \nATOM 84 HZ2 TRP A 128 -11.608 2.161 -10.683 1.00 0.16 H \nATOM 85 HH2 TRP A 128 -10.282 4.230 -10.886 1.00 0.14 H \nATOM 86 HZ3 TRP A 128 -8.631 4.507 -12.707 1.00 0.14 H \nATOM 87 HE3 TRP A 128 -8.244 2.702 -14.347 1.00 0.17 H \nATOM 88 H TRP A 128 -11.165 -0.635 -16.662 1.00 0.27 H \nATOM 89 N ALA A 129 -7.419 1.206 -17.849 1.00 -0.42 N \nATOM 90 CA ALA A 129 -6.352 1.090 -18.834 1.00 0.03 C \nATOM 91 C ALA A 129 -5.013 1.476 -18.215 1.00 0.60 C \nATOM 92 O ALA A 129 -4.964 2.164 -17.190 1.00 -0.57 O \nATOM 93 CB ALA A 129 -6.646 1.963 -20.050 1.00 -0.18 C \nATOM 94 HA ALA A 129 -6.295 0.042 -19.163 1.00 0.08 H \nATOM 95 HB1 ALA A 129 -5.830 1.861 -20.780 1.00 0.06 H \nATOM 96 HB2 ALA A 129 -7.592 1.643 -20.511 1.00 0.06 H \nATOM 97 HB3 ALA A 129 -6.728 3.014 -19.736 1.00 0.06 H \nATOM 98 H ALA A 129 -7.388 1.966 -17.199 1.00 0.27 H \nATOM 99 N LEU A 130 -3.930 1.044 -18.854 1.00 -0.42 N \nATOM 100 CA LEU A 130 -2.594 1.258 -18.319 1.00 -0.05 C \nATOM 101 C LEU A 130 -2.386 2.723 -17.962 1.00 0.60 C \nATOM 102 O LEU A 130 -1.744 3.036 -16.963 1.00 -0.57 O \nATOM 103 CB LEU A 130 -1.537 0.818 -19.335 1.00 -0.11 C \nATOM 104 CG LEU A 130 -0.379 -0.057 -18.844 1.00 0.35 C \nATOM 105 CD1 LEU A 130 0.829 0.116 -19.751 1.00 -0.41 C \nATOM 106 CD2 LEU A 130 0.001 0.222 -17.393 1.00 -0.41 C \nATOM 107 HA LEU A 130 -2.481 0.654 -17.407 1.00 0.09 H \nATOM 108 HB2 LEU A 130 -2.058 0.256 -20.125 1.00 0.05 H \nATOM 109 HB3 LEU A 130 -1.097 1.731 -19.763 1.00 0.05 H \nATOM 110 HG LEU A 130 -0.705 -1.106 -18.906 1.00 -0.04 H \nATOM 111 HD21 LEU A 130 -0.868 0.037 -16.744 1.00 0.10 H \nATOM 112 HD22 LEU A 130 0.827 -0.441 -17.096 1.00 0.10 H \nATOM 113 HD23 LEU A 130 0.318 1.271 -17.292 1.00 0.10 H \nATOM 114 HD11 LEU A 130 1.139 1.171 -19.752 1.00 0.10 H \nATOM 115 HD12 LEU A 130 1.656 -0.509 -19.383 1.00 0.10 H \nATOM 116 HD13 LEU A 130 0.566 -0.190 -20.774 1.00 0.10 H \nATOM 117 H LEU A 130 -4.036 0.561 -19.723 1.00 0.27 H \nATOM 118 N GLU A 131 -2.943 3.615 -18.777 1.00 -0.52 N \nATOM 119 CA GLU A 131 -2.730 5.059 -18.627 1.00 0.04 C \nATOM 120 C GLU A 131 -3.318 5.626 -17.329 1.00 0.54 C \nATOM 121 O GLU A 131 -2.896 6.687 -16.858 1.00 -0.58 O \nATOM 122 CB GLU A 131 -3.306 5.816 -19.832 1.00 0.06 C \nATOM 123 CG GLU A 131 -2.636 5.511 -21.176 1.00 0.01 C \nATOM 124 CD GLU A 131 -3.115 4.209 -21.819 1.00 0.81 C \nATOM 125 OE1 GLU A 131 -4.104 3.624 -21.337 1.00 -0.82 O \nATOM 126 OE2 GLU A 131 -2.498 3.768 -22.817 1.00 -0.82 O \nATOM 127 HA GLU A 131 -1.644 5.231 -18.602 1.00 0.11 H \nATOM 128 HB2 GLU A 131 -4.372 5.559 -19.917 1.00 -0.02 H \nATOM 129 HB3 GLU A 131 -3.203 6.894 -19.638 1.00 -0.02 H \nATOM 130 HG2 GLU A 131 -2.851 6.339 -21.867 1.00 -0.04 H \nATOM 131 HG3 GLU A 131 -1.550 5.440 -21.015 1.00 -0.04 H \nATOM 132 H GLU A 131 -3.529 3.289 -19.519 1.00 0.29 H \nATOM 133 N ASP A 132 -4.290 4.914 -16.761 1.00 -0.52 N \nATOM 134 CA ASP A 132 -4.935 5.321 -15.513 1.00 0.04 C \nATOM 135 C ASP A 132 -4.037 5.197 -14.286 1.00 0.54 C \nATOM 136 O ASP A 132 -4.424 5.589 -13.189 1.00 -0.58 O \nATOM 137 CB ASP A 132 -6.185 4.485 -15.278 1.00 -0.03 C \nATOM 138 CG ASP A 132 -7.264 4.770 -16.291 1.00 0.80 C \nATOM 139 OD1 ASP A 132 -7.414 5.952 -16.656 1.00 -0.80 O \nATOM 140 OD2 ASP A 132 -7.958 3.819 -16.717 1.00 -0.80 O \nATOM 141 HA ASP A 132 -5.228 6.376 -15.616 1.00 0.09 H \nATOM 142 HB2 ASP A 132 -5.915 3.420 -15.339 1.00 -0.01 H \nATOM 143 HB3 ASP A 132 -6.575 4.707 -14.274 1.00 -0.01 H \nATOM 144 H ASP A 132 -4.590 4.069 -17.205 1.00 0.29 H \nATOM 145 N PHE A 133 -2.845 4.646 -14.463 1.00 -0.42 N \nATOM 146 CA PHE A 133 -2.002 4.334 -13.320 1.00 -0.00 C \nATOM 147 C PHE A 133 -0.628 4.964 -13.422 1.00 0.60 C \nATOM 148 O PHE A 133 0.013 4.913 -14.465 1.00 -0.57 O \nATOM 149 CB PHE A 133 -1.889 2.812 -13.163 1.00 -0.03 C \nATOM 150 CG PHE A 133 -3.209 2.142 -12.928 1.00 0.01 C \nATOM 151 CD1 PHE A 133 -3.791 2.154 -11.665 1.00 -0.13 C \nATOM 152 CD2 PHE A 133 -3.888 1.536 -13.969 1.00 -0.13 C \nATOM 153 CE1 PHE A 133 -5.015 1.556 -11.443 1.00 -0.17 C \nATOM 154 CE2 PHE A 133 -5.115 0.933 -13.759 1.00 -0.17 C \nATOM 155 CZ PHE A 133 -5.682 0.944 -12.491 1.00 -0.11 C \nATOM 156 HA PHE A 133 -2.489 4.738 -12.420 1.00 0.10 H \nATOM 157 HB2 PHE A 133 -1.445 2.398 -14.081 1.00 0.03 H \nATOM 158 HB3 PHE A 133 -1.231 2.597 -12.308 1.00 0.03 H \nATOM 159 HD2 PHE A 133 -3.453 1.533 -14.962 1.00 0.13 H \nATOM 160 HE2 PHE A 133 -5.633 0.453 -14.582 1.00 0.14 H \nATOM 161 HZ PHE A 133 -6.644 0.475 -12.322 1.00 0.13 H \nATOM 162 HE1 PHE A 133 -5.453 1.565 -10.451 1.00 0.14 H \nATOM 163 HD1 PHE A 133 -3.276 2.640 -10.844 1.00 0.13 H \nATOM 164 H PHE A 133 -2.523 4.444 -15.388 1.00 0.27 H \nATOM 165 N GLU A 134 -0.184 5.578 -12.338 1.00 -0.52 N \nATOM 166 CA GLU A 134 1.198 6.013 -12.254 1.00 0.04 C \nATOM 167 C GLU A 134 1.988 4.878 -11.624 1.00 0.54 C \nATOM 168 O GLU A 134 1.796 4.557 -10.448 1.00 -0.58 O \nATOM 169 CB GLU A 134 1.317 7.279 -11.412 1.00 0.06 C \nATOM 170 CG GLU A 134 0.387 8.401 -11.845 1.00 0.01 C \nATOM 171 CD GLU A 134 0.398 9.564 -10.871 1.00 0.81 C \nATOM 172 OE1 GLU A 134 -0.389 10.516 -11.067 1.00 -0.82 O \nATOM 173 OE2 GLU A 134 1.195 9.518 -9.905 1.00 -0.82 O \nATOM 174 HA GLU A 134 1.583 6.217 -13.264 1.00 0.11 H \nATOM 175 HB2 GLU A 134 1.086 7.022 -10.368 1.00 -0.02 H \nATOM 176 HB3 GLU A 134 2.353 7.643 -11.480 1.00 -0.02 H \nATOM 177 HG2 GLU A 134 0.706 8.764 -12.833 1.00 -0.04 H \nATOM 178 HG3 GLU A 134 -0.637 8.006 -11.913 1.00 -0.04 H \nATOM 179 H GLU A 134 -0.804 5.744 -11.571 1.00 0.29 H \nATOM 180 N ILE A 135 2.857 4.259 -12.417 1.00 -0.42 N \nATOM 181 CA ILE A 135 3.660 3.132 -11.960 1.00 -0.06 C \nATOM 182 C ILE A 135 4.893 3.617 -11.207 1.00 0.60 C \nATOM 183 O ILE A 135 5.736 4.321 -11.760 1.00 -0.57 O \nATOM 184 CB ILE A 135 4.090 2.212 -13.127 1.00 0.13 C \nATOM 185 CG1 ILE A 135 2.937 1.305 -13.566 1.00 -0.04 C \nATOM 186 CG2 ILE A 135 5.240 1.322 -12.701 1.00 -0.32 C \nATOM 187 CD1 ILE A 135 1.683 2.025 -13.963 1.00 -0.07 C \nATOM 188 HA ILE A 135 3.044 2.539 -11.268 1.00 0.09 H \nATOM 189 HB ILE A 135 4.405 2.838 -13.975 1.00 0.02 H \nATOM 190 HG12 ILE A 135 3.278 0.712 -14.427 1.00 0.02 H \nATOM 191 HG13 ILE A 135 2.695 0.632 -12.730 1.00 0.02 H \nATOM 192 HD11 ILE A 135 1.899 2.703 -14.802 1.00 0.02 H \nATOM 193 HD12 ILE A 135 0.921 1.293 -14.270 1.00 0.02 H \nATOM 194 HD13 ILE A 135 1.308 2.607 -13.108 1.00 0.02 H \nATOM 195 HG21 ILE A 135 4.929 0.706 -11.844 1.00 0.09 H \nATOM 196 HG22 ILE A 135 5.527 0.668 -13.538 1.00 0.09 H \nATOM 197 HG23 ILE A 135 6.099 1.946 -12.412 1.00 0.09 H \nATOM 198 H ILE A 135 2.963 4.577 -13.359 1.00 0.27 H \nATOM 199 N GLY A 136 4.972 3.245 -9.934 1.00 -0.42 N \nATOM 200 CA GLY A 136 6.108 3.556 -9.091 1.00 -0.03 C \nATOM 201 C GLY A 136 7.065 2.380 -9.013 1.00 0.60 C \nATOM 202 O GLY A 136 7.263 1.673 -9.998 1.00 -0.57 O \nATOM 203 HA3 GLY A 136 6.639 4.425 -9.508 1.00 0.07 H \nATOM 204 HA2 GLY A 136 5.750 3.796 -8.079 1.00 0.07 H \nATOM 205 H GLY A 136 4.213 2.727 -9.540 1.00 0.27 H \nATOM 206 N ARG A 137 7.651 2.157 -7.843 1.00 -0.35 N \nATOM 207 CA ARG A 137 8.716 1.166 -7.722 1.00 -0.26 C \nATOM 208 C ARG A 137 8.222 -0.258 -7.901 1.00 0.73 C \nATOM 209 O ARG A 137 7.116 -0.600 -7.483 1.00 -0.59 O \nATOM 210 CB ARG A 137 9.441 1.292 -6.380 1.00 -0.00 C \nATOM 211 CG ARG A 137 8.649 0.819 -5.179 1.00 0.04 C \nATOM 212 CD ARG A 137 9.550 0.713 -3.947 1.00 0.05 C \nATOM 213 NE ARG A 137 8.782 0.641 -2.704 1.00 -0.53 N \nATOM 214 CZ ARG A 137 8.216 1.701 -2.132 1.00 0.81 C \nATOM 215 NH1 ARG A 137 8.332 2.898 -2.701 1.00 -0.86 N \nATOM 216 NH2 ARG A 137 7.535 1.576 -1.001 1.00 -0.86 N \nATOM 217 HA ARG A 137 9.444 1.369 -8.521 1.00 0.16 H \nATOM 218 HB2 ARG A 137 10.366 0.699 -6.434 1.00 0.03 H \nATOM 219 HB3 ARG A 137 9.694 2.352 -6.227 1.00 0.03 H \nATOM 220 HG2 ARG A 137 7.840 1.536 -4.975 1.00 0.03 H \nATOM 221 HG3 ARG A 137 8.217 -0.169 -5.397 1.00 0.03 H \nATOM 222 HD2 ARG A 137 10.166 -0.194 -4.036 1.00 0.07 H \nATOM 223 HD3 ARG A 137 10.203 1.597 -3.909 1.00 0.07 H \nATOM 224 HE ARG A 137 8.674 -0.276 -2.248 1.00 0.35 H \nATOM 225 HH12 ARG A 137 7.896 3.721 -2.262 1.00 0.45 H \nATOM 226 HH11 ARG A 137 8.858 3.001 -3.580 1.00 0.45 H \nATOM 227 HH22 ARG A 137 7.101 2.403 -0.567 1.00 0.45 H \nATOM 228 HH21 ARG A 137 7.440 0.652 -0.557 1.00 0.45 H \nATOM 229 H ARG A 137 7.360 2.673 -7.037 1.00 0.27 H \nATOM 230 N PRO A 138 9.056 -1.097 -8.520 1.00 -0.25 N \nATOM 231 CA PRO A 138 8.762 -2.519 -8.689 1.00 -0.03 C \nATOM 232 C PRO A 138 8.833 -3.201 -7.331 1.00 0.59 C \nATOM 233 O PRO A 138 9.798 -2.980 -6.597 1.00 -0.57 O \nATOM 234 CB PRO A 138 9.906 -3.008 -9.587 1.00 -0.01 C \nATOM 235 CG PRO A 138 10.529 -1.762 -10.146 1.00 0.02 C \nATOM 236 CD PRO A 138 10.365 -0.743 -9.080 1.00 0.02 C \nATOM 237 HA PRO A 138 7.779 -2.684 -9.155 1.00 0.06 H \nATOM 238 HD3 PRO A 138 10.359 0.275 -9.497 1.00 0.04 H \nATOM 239 HD2 PRO A 138 11.159 -0.825 -8.323 1.00 0.04 H \nATOM 240 HG3 PRO A 138 10.011 -1.449 -11.064 1.00 0.02 H \nATOM 241 HG2 PRO A 138 11.595 -1.926 -10.364 1.00 0.02 H \nATOM 242 HB2 PRO A 138 10.642 -3.577 -8.999 1.00 0.03 H \nATOM 243 HB3 PRO A 138 9.516 -3.641 -10.398 1.00 0.03 H \nATOM 244 N LEU A 139 7.825 -4.002 -7.001 1.00 -0.42 N \nATOM 245 CA LEU A 139 7.761 -4.655 -5.701 1.00 -0.05 C \nATOM 246 C LEU A 139 8.393 -6.043 -5.736 1.00 0.60 C \nATOM 247 O LEU A 139 8.895 -6.523 -4.721 1.00 -0.57 O \nATOM 248 CB LEU A 139 6.312 -4.740 -5.221 1.00 -0.11 C \nATOM 249 CG LEU A 139 5.632 -3.412 -4.882 1.00 0.35 C \nATOM 250 CD1 LEU A 139 4.142 -3.615 -4.693 1.00 -0.41 C \nATOM 251 CD2 LEU A 139 6.244 -2.782 -3.631 1.00 -0.41 C \nATOM 252 HA LEU A 139 8.327 -4.042 -4.984 1.00 0.09 H \nATOM 253 HB2 LEU A 139 5.724 -5.225 -6.014 1.00 0.05 H \nATOM 254 HB3 LEU A 139 6.295 -5.366 -4.317 1.00 0.05 H \nATOM 255 HG LEU A 139 5.784 -2.722 -5.725 1.00 -0.04 H \nATOM 256 HD21 LEU A 139 7.317 -2.604 -3.797 1.00 0.10 H \nATOM 257 HD22 LEU A 139 5.743 -1.826 -3.419 1.00 0.10 H \nATOM 258 HD23 LEU A 139 6.113 -3.462 -2.776 1.00 0.10 H \nATOM 259 HD11 LEU A 139 3.970 -4.333 -3.878 1.00 0.10 H \nATOM 260 HD12 LEU A 139 3.670 -2.654 -4.440 1.00 0.10 H \nATOM 261 HD13 LEU A 139 3.704 -4.005 -5.624 1.00 0.10 H \nATOM 262 H LEU A 139 7.092 -4.160 -7.662 1.00 0.27 H \nATOM 263 N GLY A 140 8.370 -6.685 -6.904 1.00 -0.42 N \nATOM 264 CA GLY A 140 9.025 -7.972 -7.079 1.00 -0.03 C \nATOM 265 C GLY A 140 8.752 -8.624 -8.424 1.00 0.60 C \nATOM 266 O GLY A 140 7.912 -8.151 -9.189 1.00 -0.57 O \nATOM 267 HA3 GLY A 140 10.111 -7.825 -6.980 1.00 0.07 H \nATOM 268 HA2 GLY A 140 8.673 -8.650 -6.288 1.00 0.07 H \nATOM 269 H GLY A 140 7.891 -6.272 -7.679 1.00 0.27 H \nATOM 270 N LYS A 141 9.461 -9.716 -8.707 1.00 -0.35 N \nATOM 271 CA LYS A 141 9.273 -10.473 -9.941 1.00 -0.24 C \nATOM 272 C LYS A 141 8.397 -11.703 -9.760 1.00 0.73 C \nATOM 273 O LYS A 141 8.683 -12.563 -8.936 1.00 -0.59 O \nATOM 274 CB LYS A 141 10.616 -10.939 -10.510 1.00 -0.01 C \nATOM 275 CG LYS A 141 11.581 -9.840 -10.886 1.00 0.02 C \nATOM 276 CD LYS A 141 12.352 -10.214 -12.150 1.00 -0.05 C \nATOM 277 CE LYS A 141 12.544 -11.728 -12.264 1.00 -0.01 C \nATOM 278 NZ LYS A 141 13.583 -12.274 -11.338 1.00 -0.39 N \nATOM 279 HA LYS A 141 8.790 -9.808 -10.672 1.00 0.14 H \nATOM 280 HB2 LYS A 141 11.102 -11.573 -9.754 1.00 0.04 H \nATOM 281 HB3 LYS A 141 10.413 -11.535 -11.412 1.00 0.04 H \nATOM 282 HG2 LYS A 141 11.020 -8.911 -11.066 1.00 0.01 H \nATOM 283 HG3 LYS A 141 12.292 -9.685 -10.061 1.00 0.01 H \nATOM 284 HD2 LYS A 141 11.793 -9.858 -13.028 1.00 0.06 H \nATOM 285 HD3 LYS A 141 13.339 -9.730 -12.123 1.00 0.06 H \nATOM 286 HE2 LYS A 141 11.585 -12.218 -12.038 1.00 0.11 H \nATOM 287 HE3 LYS A 141 12.841 -11.964 -13.297 1.00 0.11 H \nATOM 288 HZ1 LYS A 141 13.326 -12.068 -10.385 1.00 0.34 H \nATOM 289 HZ2 LYS A 141 13.650 -13.272 -11.459 1.00 0.34 H \nATOM 290 HZ3 LYS A 141 14.474 -11.850 -11.545 1.00 0.34 H \nATOM 291 H LYS A 141 10.147 -10.029 -8.050 1.00 0.27 H \nATOM 292 N GLY A 142 7.341 -11.792 -10.558 1.00 -0.42 N \nATOM 293 CA GLY A 142 6.582 -13.021 -10.680 1.00 -0.03 C \nATOM 294 C GLY A 142 7.216 -13.900 -11.745 1.00 0.60 C \nATOM 295 O GLY A 142 8.306 -13.611 -12.239 1.00 -0.57 O \nATOM 296 HA3 GLY A 142 6.585 -13.552 -9.716 1.00 0.07 H \nATOM 297 HA2 GLY A 142 5.546 -12.786 -10.966 1.00 0.07 H \nATOM 298 H GLY A 142 7.062 -10.992 -11.088 1.00 0.27 H \nATOM 299 N LYS A 143 6.531 -14.977 -12.103 1.00 -0.35 N \nATOM 300 CA LYS A 143 7.028 -15.908 -13.104 1.00 -0.24 C \nATOM 301 C LYS A 143 6.672 -15.439 -14.506 1.00 0.73 C \nATOM 302 O LYS A 143 7.250 -15.900 -15.483 1.00 -0.59 O \nATOM 303 CB LYS A 143 6.435 -17.300 -12.869 1.00 -0.01 C \nATOM 304 CG LYS A 143 6.776 -17.910 -11.512 1.00 0.02 C \nATOM 305 CD LYS A 143 6.054 -19.234 -11.309 1.00 -0.05 C \nATOM 306 CE LYS A 143 6.606 -19.983 -10.103 1.00 -0.01 C \nATOM 307 NZ LYS A 143 5.772 -21.160 -9.756 1.00 -0.39 N \nATOM 308 HA LYS A 143 8.123 -15.967 -13.017 1.00 0.14 H \nATOM 309 HB2 LYS A 143 5.340 -17.225 -12.947 1.00 0.04 H \nATOM 310 HB3 LYS A 143 6.814 -17.972 -13.653 1.00 0.04 H \nATOM 311 HG2 LYS A 143 7.861 -18.081 -11.457 1.00 0.01 H \nATOM 312 HG3 LYS A 143 6.474 -17.211 -10.718 1.00 0.01 H \nATOM 313 HD2 LYS A 143 4.983 -19.038 -11.151 1.00 0.06 H \nATOM 314 HD3 LYS A 143 6.184 -19.855 -12.207 1.00 0.06 H \nATOM 315 HE2 LYS A 143 7.626 -20.325 -10.332 1.00 0.11 H \nATOM 316 HE3 LYS A 143 6.633 -19.300 -9.241 1.00 0.11 H \nATOM 317 HZ1 LYS A 143 5.738 -21.791 -10.541 1.00 0.34 H \nATOM 318 HZ2 LYS A 143 6.173 -21.634 -8.962 1.00 0.34 H \nATOM 319 HZ3 LYS A 143 4.838 -20.855 -9.529 1.00 0.34 H \nATOM 320 H LYS A 143 5.646 -15.155 -11.672 1.00 0.27 H \nATOM 321 N PHE A 144 5.715 -14.523 -14.599 1.00 -0.42 N \nATOM 322 CA PHE A 144 5.217 -14.076 -15.888 1.00 -0.00 C \nATOM 323 C PHE A 144 5.207 -12.553 -15.999 1.00 0.60 C \nATOM 324 O PHE A 144 4.596 -11.997 -16.910 1.00 -0.57 O \nATOM 325 CB PHE A 144 3.806 -14.619 -16.119 1.00 -0.03 C \nATOM 326 CG PHE A 144 3.663 -16.068 -15.801 1.00 0.01 C \nATOM 327 CD1 PHE A 144 4.169 -17.031 -16.659 1.00 -0.13 C \nATOM 328 CD2 PHE A 144 3.037 -16.475 -14.633 1.00 -0.13 C \nATOM 329 CE1 PHE A 144 4.048 -18.376 -16.360 1.00 -0.17 C \nATOM 330 CE2 PHE A 144 2.909 -17.817 -14.328 1.00 -0.17 C \nATOM 331 CZ PHE A 144 3.417 -18.768 -15.191 1.00 -0.11 C \nATOM 332 HA PHE A 144 5.880 -14.474 -16.670 1.00 0.10 H \nATOM 333 HB2 PHE A 144 3.108 -14.053 -15.484 1.00 0.03 H \nATOM 334 HB3 PHE A 144 3.544 -14.468 -17.177 1.00 0.03 H \nATOM 335 HD2 PHE A 144 2.643 -15.731 -13.950 1.00 0.13 H \nATOM 336 HE2 PHE A 144 2.412 -18.122 -13.414 1.00 0.14 H \nATOM 337 HZ PHE A 144 3.322 -19.821 -14.953 1.00 0.13 H \nATOM 338 HE1 PHE A 144 4.446 -19.121 -17.039 1.00 0.14 H \nATOM 339 HD1 PHE A 144 4.665 -16.727 -17.574 1.00 0.13 H \nATOM 340 H PHE A 144 5.329 -14.133 -13.763 1.00 0.27 H \nATOM 341 N GLY A 145 5.876 -11.878 -15.073 1.00 -0.42 N \nATOM 342 CA GLY A 145 5.918 -10.431 -15.101 1.00 -0.03 C \nATOM 343 C GLY A 145 6.276 -9.853 -13.748 1.00 0.60 C \nATOM 344 O GLY A 145 6.690 -10.571 -12.848 1.00 -0.57 O \nATOM 345 HA3 GLY A 145 6.671 -10.111 -15.836 1.00 0.07 H \nATOM 346 HA2 GLY A 145 4.930 -10.052 -15.400 1.00 0.07 H \nATOM 347 H GLY A 145 6.356 -12.373 -14.349 1.00 0.27 H \nATOM 348 N ASN A 146 6.117 -8.545 -13.603 1.00 -0.42 N \nATOM 349 CA ASN A 146 6.477 -7.876 -12.365 1.00 0.01 C \nATOM 350 C ASN A 146 5.265 -7.319 -11.659 1.00 0.60 C \nATOM 351 O ASN A 146 4.201 -7.168 -12.254 1.00 -0.57 O \nATOM 352 CB ASN A 146 7.467 -6.741 -12.638 1.00 -0.20 C \nATOM 353 CG ASN A 146 8.789 -7.234 -13.173 1.00 0.71 C \nATOM 354 OD1 ASN A 146 9.151 -8.391 -12.990 1.00 -0.59 O \nATOM 355 ND2 ASN A 146 9.526 -6.346 -13.836 1.00 -0.92 N \nATOM 356 HA ASN A 146 6.958 -8.612 -11.704 1.00 0.10 H \nATOM 357 HB2 ASN A 146 7.022 -6.057 -13.376 1.00 0.08 H \nATOM 358 HB3 ASN A 146 7.648 -6.199 -11.698 1.00 0.08 H \nATOM 359 HD22 ASN A 146 10.412 -6.614 -14.214 1.00 0.42 H \nATOM 360 HD21 ASN A 146 9.194 -5.410 -13.956 1.00 0.42 H \nATOM 361 H ASN A 146 5.742 -8.009 -14.360 1.00 0.27 H \nATOM 362 N VAL A 147 5.434 -7.011 -10.380 1.00 -0.42 N \nATOM 363 CA VAL A 147 4.394 -6.344 -9.619 1.00 -0.09 C \nATOM 364 C VAL A 147 4.947 -4.987 -9.206 1.00 0.60 C \nATOM 365 O VAL A 147 6.109 -4.874 -8.812 1.00 -0.57 O \nATOM 366 CB VAL A 147 3.993 -7.162 -8.380 1.00 0.30 C \nATOM 367 CG1 VAL A 147 2.794 -6.525 -7.679 1.00 -0.32 C \nATOM 368 CG2 VAL A 147 3.694 -8.608 -8.773 1.00 -0.32 C \nATOM 369 HA VAL A 147 3.507 -6.205 -10.254 1.00 0.10 H \nATOM 370 HB VAL A 147 4.840 -7.164 -7.678 1.00 -0.03 H \nATOM 371 HG11 VAL A 147 1.944 -6.479 -8.376 1.00 0.08 H \nATOM 372 HG12 VAL A 147 2.517 -7.130 -6.803 1.00 0.08 H \nATOM 373 HG13 VAL A 147 3.057 -5.508 -7.354 1.00 0.08 H \nATOM 374 HG21 VAL A 147 4.587 -9.055 -9.235 1.00 0.08 H \nATOM 375 HG22 VAL A 147 3.419 -9.182 -7.876 1.00 0.08 H \nATOM 376 HG23 VAL A 147 2.861 -8.628 -9.491 1.00 0.08 H \nATOM 377 H VAL A 147 6.297 -7.243 -9.931 1.00 0.27 H \nATOM 378 N TYR A 148 4.123 -3.954 -9.313 1.00 -0.42 N \nATOM 379 CA TYR A 148 4.587 -2.604 -9.043 1.00 -0.00 C \nATOM 380 C TYR A 148 3.690 -1.911 -8.044 1.00 0.60 C \nATOM 381 O TYR A 148 2.487 -2.172 -7.976 1.00 -0.57 O \nATOM 382 CB TYR A 148 4.603 -1.762 -10.327 1.00 -0.02 C \nATOM 383 CG TYR A 148 5.419 -2.317 -11.475 1.00 -0.00 C \nATOM 384 CD1 TYR A 148 4.865 -3.235 -12.365 1.00 -0.19 C \nATOM 385 CD2 TYR A 148 6.729 -1.894 -11.698 1.00 -0.19 C \nATOM 386 CE1 TYR A 148 5.597 -3.737 -13.432 1.00 -0.23 C \nATOM 387 CE2 TYR A 148 7.472 -2.392 -12.771 1.00 -0.23 C \nATOM 388 CZ TYR A 148 6.896 -3.312 -13.632 1.00 0.32 C \nATOM 389 OH TYR A 148 7.613 -3.818 -14.693 1.00 -0.56 O \nATOM 390 HA TYR A 148 5.607 -2.660 -8.635 1.00 0.09 H \nATOM 391 HB3 TYR A 148 3.564 -1.656 -10.673 1.00 0.03 H \nATOM 392 HB2 TYR A 148 5.008 -0.771 -10.074 1.00 0.03 H \nATOM 393 HD2 TYR A 148 7.177 -1.168 -11.029 1.00 0.17 H \nATOM 394 HE2 TYR A 148 8.492 -2.061 -12.929 1.00 0.17 H \nATOM 395 HE1 TYR A 148 5.151 -4.460 -14.106 1.00 0.17 H \nATOM 396 HD1 TYR A 148 3.842 -3.564 -12.221 1.00 0.17 H \nATOM 397 HH TYR A 148 7.072 -4.430 -15.178 1.00 0.40 H \nATOM 398 H TYR A 148 3.172 -4.106 -9.582 1.00 0.27 H \nATOM 399 N LEU A 149 4.300 -1.019 -7.277 1.00 -0.42 N \nATOM 400 CA LEU A 149 3.584 -0.060 -6.471 1.00 -0.05 C \nATOM 401 C LEU A 149 3.022 0.966 -7.437 1.00 0.60 C \nATOM 402 O LEU A 149 3.758 1.516 -8.248 1.00 -0.57 O \nATOM 403 CB LEU A 149 4.570 0.636 -5.547 1.00 -0.11 C \nATOM 404 CG LEU A 149 4.113 1.027 -4.148 1.00 0.35 C \nATOM 405 CD1 LEU A 149 4.890 2.249 -3.704 1.00 -0.41 C \nATOM 406 CD2 LEU A 149 2.633 1.299 -4.124 1.00 -0.41 C \nATOM 407 HA LEU A 149 2.783 -0.544 -5.893 1.00 0.09 H \nATOM 408 HB2 LEU A 149 5.433 -0.036 -5.429 1.00 0.05 H \nATOM 409 HB3 LEU A 149 4.891 1.559 -6.052 1.00 0.05 H \nATOM 410 HG LEU A 149 4.327 0.198 -3.458 1.00 -0.04 H \nATOM 411 HD21 LEU A 149 2.089 0.398 -4.444 1.00 0.10 H \nATOM 412 HD22 LEU A 149 2.326 1.569 -3.103 1.00 0.10 H \nATOM 413 HD23 LEU A 149 2.402 2.129 -4.808 1.00 0.10 H \nATOM 414 HD11 LEU A 149 4.709 3.074 -4.408 1.00 0.10 H \nATOM 415 HD12 LEU A 149 4.561 2.547 -2.698 1.00 0.10 H \nATOM 416 HD13 LEU A 149 5.964 2.013 -3.683 1.00 0.10 H \nATOM 417 H LEU A 149 5.300 -1.010 -7.256 1.00 0.27 H \nATOM 418 N ALA A 150 1.727 1.237 -7.358 1.00 -0.42 N \nATOM 419 CA ALA A 150 1.114 2.166 -8.295 1.00 0.03 C \nATOM 420 C ALA A 150 0.026 3.030 -7.645 1.00 0.60 C \nATOM 421 O ALA A 150 -0.497 2.688 -6.587 1.00 -0.57 O \nATOM 422 CB ALA A 150 0.551 1.402 -9.476 1.00 -0.18 C \nATOM 423 HA ALA A 150 1.900 2.841 -8.664 1.00 0.08 H \nATOM 424 HB1 ALA A 150 0.088 2.107 -10.182 1.00 0.06 H \nATOM 425 HB2 ALA A 150 1.362 0.857 -9.981 1.00 0.06 H \nATOM 426 HB3 ALA A 150 -0.207 0.687 -9.123 1.00 0.06 H \nATOM 427 H ALA A 150 1.169 0.801 -6.652 1.00 0.27 H \nATOM 428 N ARG A 151 -0.296 4.148 -8.291 1.00 -0.35 N \nATOM 429 CA ARG A 151 -1.380 5.033 -7.872 1.00 -0.26 C \nATOM 430 C ARG A 151 -2.389 5.155 -9.000 1.00 0.73 C \nATOM 431 O ARG A 151 -1.997 5.351 -10.150 1.00 -0.59 O \nATOM 432 CB ARG A 151 -0.850 6.445 -7.640 1.00 -0.00 C \nATOM 433 CG ARG A 151 -0.244 6.732 -6.313 1.00 0.04 C \nATOM 434 CD ARG A 151 0.052 8.223 -6.199 1.00 0.05 C \nATOM 435 NE ARG A 151 0.884 8.506 -5.032 1.00 -0.53 N \nATOM 436 CZ ARG A 151 0.409 8.693 -3.804 1.00 0.81 C \nATOM 437 NH1 ARG A 151 -0.899 8.639 -3.583 1.00 -0.86 N \nATOM 438 NH2 ARG A 151 1.238 8.939 -2.796 1.00 -0.86 N \nATOM 439 HA ARG A 151 -1.855 4.641 -6.961 1.00 0.16 H \nATOM 440 HB2 ARG A 151 -0.083 6.641 -8.404 1.00 0.03 H \nATOM 441 HB3 ARG A 151 -1.690 7.141 -7.778 1.00 0.03 H \nATOM 442 HG2 ARG A 151 -0.945 6.436 -5.519 1.00 0.03 H \nATOM 443 HG3 ARG A 151 0.692 6.164 -6.207 1.00 0.03 H \nATOM 444 HD2 ARG A 151 0.579 8.555 -7.105 1.00 0.07 H \nATOM 445 HD3 ARG A 151 -0.897 8.772 -6.105 1.00 0.07 H \nATOM 446 HE ARG A 151 1.903 8.564 -5.169 1.00 0.35 H \nATOM 447 HH12 ARG A 151 -1.267 8.784 -2.632 1.00 0.45 H \nATOM 448 HH11 ARG A 151 -1.546 8.452 -4.363 1.00 0.45 H \nATOM 449 HH22 ARG A 151 0.866 9.083 -1.847 1.00 0.45 H \nATOM 450 HH21 ARG A 151 2.253 8.986 -2.964 1.00 0.45 H \nATOM 451 H ARG A 151 0.231 4.395 -9.104 1.00 0.27 H \nATOM 452 N GLU A 152 -3.680 5.087 -8.685 1.00 -0.52 N \nATOM 453 CA GLU A 152 -4.694 5.444 -9.675 1.00 0.04 C \nATOM 454 C GLU A 152 -4.613 6.956 -9.874 1.00 0.54 C \nATOM 455 O GLU A 152 -4.563 7.697 -8.902 1.00 -0.58 O \nATOM 456 CB GLU A 152 -6.087 5.016 -9.216 1.00 0.06 C \nATOM 457 CG GLU A 152 -7.167 5.157 -10.288 1.00 0.01 C \nATOM 458 CD GLU A 152 -7.534 6.605 -10.563 1.00 0.81 C \nATOM 459 OE1 GLU A 152 -7.916 7.307 -9.604 1.00 -0.82 O \nATOM 460 OE2 GLU A 152 -7.441 7.039 -11.735 1.00 -0.82 O \nATOM 461 HA GLU A 152 -4.469 4.939 -10.626 1.00 0.11 H \nATOM 462 HB2 GLU A 152 -6.041 3.961 -8.909 1.00 -0.02 H \nATOM 463 HB3 GLU A 152 -6.373 5.637 -8.354 1.00 -0.02 H \nATOM 464 HG2 GLU A 152 -6.799 4.704 -11.220 1.00 -0.04 H \nATOM 465 HG3 GLU A 152 -8.068 4.623 -9.952 1.00 -0.04 H \nATOM 466 H GLU A 152 -3.956 4.792 -7.771 1.00 0.29 H \nATOM 467 N LYS A 153 -4.585 7.410 -11.126 1.00 -0.35 N \nATOM 468 CA LYS A 153 -4.241 8.804 -11.429 1.00 -0.24 C \nATOM 469 C LYS A 153 -5.151 9.864 -10.797 1.00 0.73 C \nATOM 470 O LYS A 153 -4.656 10.818 -10.196 1.00 -0.59 O \nATOM 471 CB LYS A 153 -4.123 9.035 -12.940 1.00 -0.01 C \nATOM 472 CG LYS A 153 -2.738 8.732 -13.514 1.00 0.02 C \nATOM 473 CD LYS A 153 -2.642 9.167 -14.980 1.00 -0.05 C \nATOM 474 CE LYS A 153 -1.189 9.309 -15.453 1.00 -0.01 C \nATOM 475 NZ LYS A 153 -0.572 8.038 -15.956 1.00 -0.39 N \nATOM 476 HA LYS A 153 -3.241 8.967 -11.001 1.00 0.14 H \nATOM 477 HB2 LYS A 153 -4.855 8.389 -13.446 1.00 0.04 H \nATOM 478 HB3 LYS A 153 -4.359 10.089 -13.147 1.00 0.04 H \nATOM 479 HG2 LYS A 153 -1.980 9.273 -12.928 1.00 0.01 H \nATOM 480 HG3 LYS A 153 -2.550 7.650 -13.447 1.00 0.01 H \nATOM 481 HD2 LYS A 153 -3.145 8.415 -15.606 1.00 0.06 H \nATOM 482 HD3 LYS A 153 -3.147 10.137 -15.095 1.00 0.06 H \nATOM 483 HE2 LYS A 153 -1.163 10.049 -16.266 1.00 0.11 H \nATOM 484 HE3 LYS A 153 -0.586 9.672 -14.608 1.00 0.11 H \nATOM 485 HZ1 LYS A 153 -1.109 7.689 -16.734 1.00 0.34 H \nATOM 486 HZ2 LYS A 153 0.374 8.219 -16.254 1.00 0.34 H \nATOM 487 HZ3 LYS A 153 -0.566 7.352 -15.217 1.00 0.34 H \nATOM 488 H LYS A 153 -4.803 6.787 -11.877 1.00 0.27 H \nATOM 489 N GLN A 154 -6.467 9.706 -10.929 1.00 -0.42 N \nATOM 490 CA GLN A 154 -7.405 10.691 -10.378 1.00 -0.00 C \nATOM 491 C GLN A 154 -7.394 10.708 -8.850 1.00 0.60 C \nATOM 492 O GLN A 154 -7.052 11.719 -8.231 1.00 -0.57 O \nATOM 493 CB GLN A 154 -8.838 10.431 -10.864 1.00 -0.00 C \nATOM 494 CG GLN A 154 -8.970 9.983 -12.319 1.00 -0.06 C \nATOM 495 CD GLN A 154 -8.263 10.910 -13.306 1.00 0.70 C \nATOM 496 OE1 GLN A 154 -8.039 12.097 -13.035 1.00 -0.61 O \nATOM 497 NE2 GLN A 154 -7.908 10.362 -14.464 1.00 -0.94 N \nATOM 498 HA GLN A 154 -7.094 11.684 -10.734 1.00 0.09 H \nATOM 499 HB2 GLN A 154 -9.274 9.647 -10.227 1.00 0.02 H \nATOM 500 HB3 GLN A 154 -9.411 11.362 -10.743 1.00 0.02 H \nATOM 501 HG2 GLN A 154 -8.537 8.976 -12.415 1.00 0.04 H \nATOM 502 HG3 GLN A 154 -10.039 9.948 -12.578 1.00 0.04 H \nATOM 503 HE22 GLN A 154 -7.441 10.913 -15.156 1.00 0.43 H \nATOM 504 HE21 GLN A 154 -8.108 9.399 -14.643 1.00 0.43 H \nATOM 505 H GLN A 154 -6.821 8.904 -11.411 1.00 0.27 H \nATOM 506 N SER A 155 -7.761 9.574 -8.254 1.00 -0.42 N \nATOM 507 CA SER A 155 -7.937 9.462 -6.808 1.00 -0.02 C \nATOM 508 C SER A 155 -6.632 9.357 -6.025 1.00 0.60 C \nATOM 509 O SER A 155 -6.638 9.454 -4.804 1.00 -0.57 O \nATOM 510 CB SER A 155 -8.824 8.255 -6.477 1.00 0.21 C \nATOM 511 OG SER A 155 -8.226 7.041 -6.909 1.00 -0.65 O \nATOM 512 HA SER A 155 -8.453 10.373 -6.470 1.00 0.08 H \nATOM 513 HB2 SER A 155 -8.978 8.211 -5.389 1.00 0.04 H \nATOM 514 HB3 SER A 155 -9.795 8.375 -6.980 1.00 0.04 H \nATOM 515 HG SER A 155 -8.796 6.313 -6.692 1.00 0.43 H \nATOM 516 H SER A 155 -7.923 8.766 -8.820 1.00 0.27 H \nATOM 517 N LYS A 156 -5.521 9.166 -6.732 1.00 -0.35 N \nATOM 518 CA LYS A 156 -4.218 8.860 -6.120 1.00 -0.24 C \nATOM 519 C LYS A 156 -4.244 7.716 -5.100 1.00 0.73 C \nATOM 520 O LYS A 156 -3.374 7.616 -4.243 1.00 -0.59 O \nATOM 521 CB LYS A 156 -3.525 10.105 -5.549 1.00 -0.01 C \nATOM 522 CG LYS A 156 -4.448 11.166 -4.990 1.00 0.02 C \nATOM 523 HA LYS A 156 -3.582 8.508 -6.945 1.00 0.14 H \nATOM 524 HB2 LYS A 156 -2.855 9.779 -4.740 1.00 0.04 H \nATOM 525 HB3 LYS A 156 -2.932 10.562 -6.355 1.00 0.04 H \nATOM 526 HG2 LYS A 156 -5.058 10.733 -4.184 1.00 0.01 H \nATOM 527 HG3 LYS A 156 -3.850 11.999 -4.591 1.00 0.01 H \nATOM 528 H LYS A 156 -5.574 9.234 -7.728 1.00 0.27 H \nATOM 529 N PHE A 157 -5.238 6.845 -5.227 1.00 -0.42 N \nATOM 530 CA PHE A 157 -5.338 5.636 -4.426 1.00 -0.00 C \nATOM 531 C PHE A 157 -4.180 4.685 -4.744 1.00 0.60 C \nATOM 532 O PHE A 157 -3.953 4.324 -5.904 1.00 -0.57 O \nATOM 533 CB PHE A 157 -6.670 4.957 -4.722 1.00 -0.03 C \nATOM 534 CG PHE A 157 -6.993 3.812 -3.811 1.00 0.01 C \nATOM 535 CD1 PHE A 157 -7.599 4.034 -2.581 1.00 -0.13 C \nATOM 536 CD2 PHE A 157 -6.722 2.504 -4.196 1.00 -0.13 C \nATOM 537 CE1 PHE A 157 -7.915 2.972 -1.745 1.00 -0.17 C \nATOM 538 CE2 PHE A 157 -7.034 1.438 -3.362 1.00 -0.17 C \nATOM 539 CZ PHE A 157 -7.633 1.673 -2.132 1.00 -0.11 C \nATOM 540 HA PHE A 157 -5.297 5.904 -3.360 1.00 0.10 H \nATOM 541 HB2 PHE A 157 -7.468 5.708 -4.628 1.00 0.03 H \nATOM 542 HB3 PHE A 157 -6.642 4.579 -5.755 1.00 0.03 H \nATOM 543 HD2 PHE A 157 -6.262 2.314 -5.159 1.00 0.13 H \nATOM 544 HE2 PHE A 157 -6.810 0.424 -3.671 1.00 0.14 H \nATOM 545 HZ PHE A 157 -7.879 0.844 -1.478 1.00 0.13 H \nATOM 546 HE1 PHE A 157 -8.384 3.160 -0.786 1.00 0.14 H \nATOM 547 HD1 PHE A 157 -7.828 5.047 -2.271 1.00 0.13 H \nATOM 548 H PHE A 157 -5.950 7.029 -5.904 1.00 0.27 H \nATOM 549 N ILE A 158 -3.447 4.288 -3.708 1.00 -0.42 N \nATOM 550 CA ILE A 158 -2.282 3.429 -3.870 1.00 -0.06 C \nATOM 551 C ILE A 158 -2.707 1.968 -3.947 1.00 0.60 C \nATOM 552 O ILE A 158 -3.612 1.528 -3.226 1.00 -0.57 O \nATOM 553 CB ILE A 158 -1.273 3.628 -2.719 1.00 0.13 C \nATOM 554 CG1 ILE A 158 -0.595 4.994 -2.844 1.00 -0.04 C \nATOM 555 CG2 ILE A 158 -0.233 2.507 -2.705 1.00 -0.32 C \nATOM 556 CD1 ILE A 158 0.011 5.486 -1.545 1.00 -0.07 C \nATOM 557 HA ILE A 158 -1.785 3.697 -4.814 1.00 0.09 H \nATOM 558 HB ILE A 158 -1.823 3.599 -1.767 1.00 0.02 H \nATOM 559 HG12 ILE A 158 0.205 4.919 -3.596 1.00 0.02 H \nATOM 560 HG13 ILE A 158 -1.345 5.726 -3.178 1.00 0.02 H \nATOM 561 HD11 ILE A 158 0.764 4.765 -1.196 1.00 0.02 H \nATOM 562 HD12 ILE A 158 0.488 6.463 -1.710 1.00 0.02 H \nATOM 563 HD13 ILE A 158 -0.779 5.587 -0.787 1.00 0.02 H \nATOM 564 HG21 ILE A 158 0.308 2.497 -3.663 1.00 0.09 H \nATOM 565 HG22 ILE A 158 0.479 2.677 -1.884 1.00 0.09 H \nATOM 566 HG23 ILE A 158 -0.738 1.541 -2.558 1.00 0.09 H \nATOM 567 H ILE A 158 -3.704 4.588 -2.789 1.00 0.27 H \nATOM 568 N LEU A 159 -2.052 1.221 -4.828 1.00 -0.42 N \nATOM 569 CA LEU A 159 -2.452 -0.150 -5.106 1.00 -0.05 C \nATOM 570 C LEU A 159 -1.267 -0.894 -5.706 1.00 0.60 C \nATOM 571 O LEU A 159 -0.247 -0.286 -6.026 1.00 -0.57 O \nATOM 572 CB LEU A 159 -3.654 -0.161 -6.061 1.00 -0.11 C \nATOM 573 CG LEU A 159 -3.387 0.499 -7.421 1.00 0.35 C \nATOM 574 CD1 LEU A 159 -2.860 -0.540 -8.404 1.00 -0.41 C \nATOM 575 CD2 LEU A 159 -4.632 1.180 -7.972 1.00 -0.41 C \nATOM 576 HA LEU A 159 -2.743 -0.640 -4.165 1.00 0.09 H \nATOM 577 HB2 LEU A 159 -3.945 -1.207 -6.237 1.00 0.05 H \nATOM 578 HB3 LEU A 159 -4.484 0.373 -5.576 1.00 0.05 H \nATOM 579 HG LEU A 159 -2.613 1.268 -7.282 1.00 -0.04 H \nATOM 580 HD21 LEU A 159 -4.971 1.951 -7.265 1.00 0.10 H \nATOM 581 HD22 LEU A 159 -4.396 1.648 -8.939 1.00 0.10 H \nATOM 582 HD23 LEU A 159 -5.428 0.433 -8.110 1.00 0.10 H \nATOM 583 HD11 LEU A 159 -3.601 -1.344 -8.520 1.00 0.10 H \nATOM 584 HD12 LEU A 159 -2.680 -0.064 -9.379 1.00 0.10 H \nATOM 585 HD13 LEU A 159 -1.918 -0.961 -8.022 1.00 0.10 H \nATOM 586 H LEU A 159 -1.267 1.609 -5.311 1.00 0.27 H \nATOM 587 N ALA A 160 -1.385 -2.210 -5.841 1.00 -0.42 N \nATOM 588 CA ALA A 160 -0.326 -2.987 -6.470 1.00 0.03 C \nATOM 589 C ALA A 160 -0.780 -3.423 -7.859 1.00 0.60 C \nATOM 590 O ALA A 160 -1.881 -3.967 -8.022 1.00 -0.57 O \nATOM 591 CB ALA A 160 0.033 -4.186 -5.622 1.00 -0.18 C \nATOM 592 HA ALA A 160 0.566 -2.352 -6.572 1.00 0.08 H \nATOM 593 HB1 ALA A 160 0.833 -4.757 -6.115 1.00 0.06 H \nATOM 594 HB2 ALA A 160 0.380 -3.846 -4.635 1.00 0.06 H \nATOM 595 HB3 ALA A 160 -0.853 -4.827 -5.499 1.00 0.06 H \nATOM 596 H ALA A 160 -2.208 -2.671 -5.508 1.00 0.27 H \nATOM 597 N LEU A 161 0.050 -3.164 -8.863 1.00 -0.42 N \nATOM 598 CA LEU A 161 -0.292 -3.560 -10.230 1.00 -0.05 C \nATOM 599 C LEU A 161 0.543 -4.764 -10.630 1.00 0.60 C \nATOM 600 O LEU A 161 1.772 -4.701 -10.675 1.00 -0.57 O \nATOM 601 CB LEU A 161 -0.092 -2.401 -11.211 1.00 -0.11 C \nATOM 602 CG LEU A 161 -0.602 -2.639 -12.635 1.00 0.35 C \nATOM 603 CD1 LEU A 161 -2.120 -2.711 -12.644 1.00 -0.41 C \nATOM 604 CD2 LEU A 161 -0.110 -1.553 -13.579 1.00 -0.41 C \nATOM 605 HA LEU A 161 -1.353 -3.848 -10.253 1.00 0.09 H \nATOM 606 HB2 LEU A 161 -0.616 -1.522 -10.807 1.00 0.05 H \nATOM 607 HB3 LEU A 161 0.986 -2.190 -11.269 1.00 0.05 H \nATOM 608 HG LEU A 161 -0.207 -3.604 -12.986 1.00 -0.04 H \nATOM 609 HD21 LEU A 161 0.990 -1.544 -13.586 1.00 0.10 H \nATOM 610 HD22 LEU A 161 -0.482 -1.754 -14.595 1.00 0.10 H \nATOM 611 HD23 LEU A 161 -0.482 -0.575 -13.239 1.00 0.10 H \nATOM 612 HD11 LEU A 161 -2.534 -1.768 -12.257 1.00 0.10 H \nATOM 613 HD12 LEU A 161 -2.473 -2.872 -13.673 1.00 0.10 H \nATOM 614 HD13 LEU A 161 -2.451 -3.545 -12.008 1.00 0.10 H \nATOM 615 H LEU A 161 0.915 -2.695 -8.684 1.00 0.27 H \nATOM 616 N LYS A 162 -0.136 -5.871 -10.889 1.00 -0.35 N \nATOM 617 CA LYS A 162 0.521 -7.125 -11.217 1.00 -0.24 C \nATOM 618 C LYS A 162 0.416 -7.375 -12.721 1.00 0.73 C \nATOM 619 O LYS A 162 -0.686 -7.396 -13.269 1.00 -0.59 O \nATOM 620 CB LYS A 162 -0.149 -8.258 -10.439 1.00 -0.01 C \nATOM 621 CG LYS A 162 0.485 -9.610 -10.628 1.00 0.02 C \nATOM 622 CD LYS A 162 -0.105 -10.606 -9.650 1.00 -0.05 C \nATOM 623 CE LYS A 162 0.475 -11.979 -9.866 1.00 -0.01 C \nATOM 624 NZ LYS A 162 1.944 -11.983 -9.640 1.00 -0.39 N \nATOM 625 HA LYS A 162 1.582 -7.068 -10.933 1.00 0.14 H \nATOM 626 HB2 LYS A 162 -0.111 -8.008 -9.368 1.00 0.04 H \nATOM 627 HB3 LYS A 162 -1.198 -8.323 -10.763 1.00 0.04 H \nATOM 628 HG2 LYS A 162 0.301 -9.957 -11.655 1.00 0.01 H \nATOM 629 HG3 LYS A 162 1.569 -9.530 -10.456 1.00 0.01 H \nATOM 630 HD2 LYS A 162 0.118 -10.278 -8.624 1.00 0.06 H \nATOM 631 HD3 LYS A 162 -1.195 -10.649 -9.793 1.00 0.06 H \nATOM 632 HE2 LYS A 162 0.002 -12.683 -9.165 1.00 0.11 H \nATOM 633 HE3 LYS A 162 0.270 -12.297 -10.899 1.00 0.11 H \nATOM 634 HZ1 LYS A 162 2.140 -11.687 -8.696 1.00 0.34 H \nATOM 635 HZ2 LYS A 162 2.303 -12.914 -9.782 1.00 0.34 H \nATOM 636 HZ3 LYS A 162 2.385 -11.350 -10.289 1.00 0.34 H \nATOM 637 H LYS A 162 -1.135 -5.843 -10.858 1.00 0.27 H \nATOM 638 N VAL A 163 1.562 -7.557 -13.375 1.00 -0.42 N \nATOM 639 CA VAL A 163 1.633 -7.709 -14.830 1.00 -0.09 C \nATOM 640 C VAL A 163 1.918 -9.146 -15.239 1.00 0.60 C \nATOM 641 O VAL A 163 2.835 -9.775 -14.719 1.00 -0.57 O \nATOM 642 CB VAL A 163 2.743 -6.817 -15.423 1.00 0.30 C \nATOM 643 CG1 VAL A 163 2.812 -6.974 -16.937 1.00 -0.32 C \nATOM 644 CG2 VAL A 163 2.504 -5.361 -15.054 1.00 -0.32 C \nATOM 645 HA VAL A 163 0.665 -7.406 -15.255 1.00 0.10 H \nATOM 646 HB VAL A 163 3.707 -7.132 -14.997 1.00 -0.03 H \nATOM 647 HG11 VAL A 163 1.845 -6.692 -17.379 1.00 0.08 H \nATOM 648 HG12 VAL A 163 3.602 -6.322 -17.338 1.00 0.08 H \nATOM 649 HG13 VAL A 163 3.039 -8.021 -17.187 1.00 0.08 H \nATOM 650 HG21 VAL A 163 2.495 -5.257 -13.959 1.00 0.08 H \nATOM 651 HG22 VAL A 163 3.308 -4.739 -15.475 1.00 0.08 H \nATOM 652 HG23 VAL A 163 1.536 -5.034 -15.462 1.00 0.08 H \nATOM 653 H VAL A 163 2.412 -7.591 -12.849 1.00 0.27 H \nATOM 654 N LEU A 164 1.141 -9.669 -16.182 1.00 -0.42 N \nATOM 655 CA LEU A 164 1.368 -11.026 -16.668 1.00 -0.05 C \nATOM 656 C LEU A 164 1.509 -11.061 -18.189 1.00 0.60 C \nATOM 657 O LEU A 164 0.678 -10.508 -18.908 1.00 -0.57 O \nATOM 658 CB LEU A 164 0.232 -11.948 -16.220 1.00 -0.11 C \nATOM 659 CG LEU A 164 -0.062 -11.966 -14.718 1.00 0.35 C \nATOM 660 CD1 LEU A 164 -1.432 -12.557 -14.435 1.00 -0.41 C \nATOM 661 CD2 LEU A 164 1.016 -12.723 -13.966 1.00 -0.41 C \nATOM 662 HA LEU A 164 2.307 -11.394 -16.229 1.00 0.09 H \nATOM 663 HB2 LEU A 164 -0.684 -11.630 -16.739 1.00 0.05 H \nATOM 664 HB3 LEU A 164 0.490 -12.973 -16.525 1.00 0.05 H \nATOM 665 HG LEU A 164 -0.060 -10.926 -14.360 1.00 -0.04 H \nATOM 666 HD21 LEU A 164 1.990 -12.242 -14.139 1.00 0.10 H \nATOM 667 HD22 LEU A 164 0.788 -12.713 -12.890 1.00 0.10 H \nATOM 668 HD23 LEU A 164 1.051 -13.763 -14.324 1.00 0.10 H \nATOM 669 HD11 LEU A 164 -1.475 -13.586 -14.822 1.00 0.10 H \nATOM 670 HD12 LEU A 164 -1.610 -12.566 -13.350 1.00 0.10 H \nATOM 671 HD13 LEU A 164 -2.203 -11.947 -14.928 1.00 0.10 H \nATOM 672 H LEU A 164 0.392 -9.126 -16.563 1.00 0.27 H \nATOM 673 N PHE A 165 2.563 -11.713 -18.674 1.00 -0.42 N \nATOM 674 CA PHE A 165 2.799 -11.823 -20.111 1.00 -0.00 C \nATOM 675 C PHE A 165 2.005 -12.993 -20.687 1.00 0.60 C \nATOM 676 O PHE A 165 2.277 -14.159 -20.380 1.00 -0.57 O \nATOM 677 CB PHE A 165 4.290 -11.980 -20.412 1.00 -0.03 C \nATOM 678 CG PHE A 165 4.680 -11.522 -21.791 1.00 0.01 C \nATOM 679 CD1 PHE A 165 5.214 -10.254 -21.989 1.00 -0.13 C \nATOM 680 CD2 PHE A 165 4.517 -12.360 -22.892 1.00 -0.13 C \nATOM 681 CE1 PHE A 165 5.579 -9.821 -23.267 1.00 -0.17 C \nATOM 682 CE2 PHE A 165 4.874 -11.937 -24.168 1.00 -0.17 C \nATOM 683 CZ PHE A 165 5.410 -10.664 -24.357 1.00 -0.11 C \nATOM 684 HA PHE A 165 2.448 -10.897 -20.590 1.00 0.10 H \nATOM 685 HB2 PHE A 165 4.857 -11.390 -19.677 1.00 0.03 H \nATOM 686 HB3 PHE A 165 4.555 -13.043 -20.311 1.00 0.03 H \nATOM 687 HD2 PHE A 165 4.107 -13.354 -22.752 1.00 0.13 H \nATOM 688 HE2 PHE A 165 4.735 -12.598 -25.016 1.00 0.14 H \nATOM 689 HZ PHE A 165 5.693 -10.334 -25.350 1.00 0.13 H \nATOM 690 HE1 PHE A 165 5.993 -8.829 -23.407 1.00 0.14 H \nATOM 691 HD1 PHE A 165 5.349 -9.592 -21.141 1.00 0.13 H \nATOM 692 H PHE A 165 3.209 -12.138 -18.039 1.00 0.27 H \nATOM 693 N LYS A 166 1.029 -12.674 -21.531 1.00 -0.35 N \nATOM 694 CA LYS A 166 0.041 -13.660 -21.967 1.00 -0.24 C \nATOM 695 C LYS A 166 0.614 -14.917 -22.618 1.00 0.73 C \nATOM 696 O LYS A 166 0.272 -16.032 -22.222 1.00 -0.59 O \nATOM 697 CB LYS A 166 -1.027 -13.004 -22.847 1.00 -0.01 C \nATOM 698 CG LYS A 166 -2.039 -12.233 -22.019 1.00 0.02 C \nATOM 699 CD LYS A 166 -2.606 -11.057 -22.769 1.00 -0.05 C \nATOM 700 CE LYS A 166 -3.754 -11.466 -23.641 1.00 -0.01 C \nATOM 701 NZ LYS A 166 -4.326 -10.266 -24.302 1.00 -0.39 N \nATOM 702 HA LYS A 166 -0.468 -14.002 -21.054 1.00 0.14 H \nATOM 703 HB2 LYS A 166 -0.537 -12.311 -23.547 1.00 0.04 H \nATOM 704 HB3 LYS A 166 -1.552 -13.787 -23.414 1.00 0.04 H \nATOM 705 HG2 LYS A 166 -2.862 -12.909 -21.745 1.00 0.01 H \nATOM 706 HG3 LYS A 166 -1.546 -11.867 -21.106 1.00 0.01 H \nATOM 707 HD2 LYS A 166 -2.956 -10.306 -22.045 1.00 0.06 H \nATOM 708 HD3 LYS A 166 -1.817 -10.620 -23.398 1.00 0.06 H \nATOM 709 HE2 LYS A 166 -3.400 -12.172 -24.406 1.00 0.11 H \nATOM 710 HE3 LYS A 166 -4.527 -11.949 -23.026 1.00 0.11 H \nATOM 711 HZ1 LYS A 166 -3.615 -9.818 -24.858 1.00 0.34 H \nATOM 712 HZ2 LYS A 166 -5.092 -10.543 -24.896 1.00 0.34 H \nATOM 713 HZ3 LYS A 166 -4.659 -9.623 -23.601 1.00 0.34 H \nATOM 714 H LYS A 166 0.969 -11.737 -21.876 1.00 0.27 H \nATOM 715 N ALA A 167 1.488 -14.741 -23.602 1.00 -0.42 N \nATOM 716 CA ALA A 167 2.068 -15.881 -24.305 1.00 0.03 C \nATOM 717 C ALA A 167 2.728 -16.829 -23.310 1.00 0.60 C \nATOM 718 O ALA A 167 2.633 -18.046 -23.438 1.00 -0.57 O \nATOM 719 CB ALA A 167 3.071 -15.412 -25.348 1.00 -0.18 C \nATOM 720 HA ALA A 167 1.260 -16.422 -24.819 1.00 0.08 H \nATOM 721 HB1 ALA A 167 3.496 -16.284 -25.866 1.00 0.06 H \nATOM 722 HB2 ALA A 167 2.565 -14.763 -26.078 1.00 0.06 H \nATOM 723 HB3 ALA A 167 3.877 -14.850 -24.854 1.00 0.06 H \nATOM 724 H ALA A 167 1.753 -13.813 -23.865 1.00 0.27 H \nATOM 725 N GLN A 168 3.388 -16.261 -22.308 1.00 -0.42 N \nATOM 726 CA GLN A 168 3.985 -17.069 -21.260 1.00 -0.00 C \nATOM 727 C GLN A 168 2.915 -17.814 -20.465 1.00 0.60 C \nATOM 728 O GLN A 168 3.092 -18.990 -20.155 1.00 -0.57 O \nATOM 729 CB GLN A 168 4.903 -16.233 -20.356 1.00 -0.00 C \nATOM 730 CG GLN A 168 6.243 -15.897 -21.017 1.00 -0.06 C \nATOM 731 CD GLN A 168 7.229 -15.213 -20.079 1.00 0.70 C \nATOM 732 OE1 GLN A 168 8.446 -15.361 -20.224 1.00 -0.61 O \nATOM 733 NE2 GLN A 168 6.710 -14.463 -19.115 1.00 -0.94 N \nATOM 734 HA GLN A 168 4.615 -17.827 -21.749 1.00 0.09 H \nATOM 735 HB2 GLN A 168 4.389 -15.293 -20.107 1.00 0.02 H \nATOM 736 HB3 GLN A 168 5.099 -16.800 -19.434 1.00 0.02 H \nATOM 737 HG2 GLN A 168 6.697 -16.832 -21.378 1.00 0.04 H \nATOM 738 HG3 GLN A 168 6.053 -15.229 -21.870 1.00 0.04 H \nATOM 739 HE22 GLN A 168 7.311 -13.991 -18.470 1.00 0.43 H \nATOM 740 HE21 GLN A 168 5.718 -14.370 -19.033 1.00 0.43 H \nATOM 741 H GLN A 168 3.475 -15.265 -22.275 1.00 0.27 H \nATOM 742 N LEU A 169 1.803 -17.145 -20.156 1.00 -0.42 N \nATOM 743 CA LEU A 169 0.718 -17.789 -19.411 1.00 -0.05 C \nATOM 744 C LEU A 169 0.237 -19.018 -20.166 1.00 0.60 C \nATOM 745 O LEU A 169 0.068 -20.092 -19.587 1.00 -0.57 O \nATOM 746 CB LEU A 169 -0.465 -16.839 -19.205 1.00 -0.11 C \nATOM 747 CG LEU A 169 -0.285 -15.667 -18.247 1.00 0.35 C \nATOM 748 CD1 LEU A 169 -1.554 -14.840 -18.209 1.00 -0.41 C \nATOM 749 CD2 LEU A 169 0.087 -16.161 -16.854 1.00 -0.41 C \nATOM 750 HA LEU A 169 1.101 -18.097 -18.427 1.00 0.09 H \nATOM 751 HB2 LEU A 169 -0.723 -16.420 -20.189 1.00 0.05 H \nATOM 752 HB3 LEU A 169 -1.306 -17.441 -18.831 1.00 0.05 H \nATOM 753 HG LEU A 169 0.534 -15.033 -18.619 1.00 -0.04 H \nATOM 754 HD21 LEU A 169 1.024 -16.735 -16.907 1.00 0.10 H \nATOM 755 HD22 LEU A 169 0.222 -15.300 -16.183 1.00 0.10 H \nATOM 756 HD23 LEU A 169 -0.716 -16.805 -16.467 1.00 0.10 H \nATOM 757 HD11 LEU A 169 -2.392 -15.470 -17.875 1.00 0.10 H \nATOM 758 HD12 LEU A 169 -1.424 -14.001 -17.509 1.00 0.10 H \nATOM 759 HD13 LEU A 169 -1.767 -14.449 -19.215 1.00 0.10 H \nATOM 760 H LEU A 169 1.709 -16.190 -20.437 1.00 0.27 H \nATOM 761 N GLU A 170 0.018 -18.833 -21.464 1.00 -0.52 N \nATOM 762 CA GLU A 170 -0.480 -19.876 -22.343 1.00 0.04 C \nATOM 763 C GLU A 170 0.457 -21.077 -22.376 1.00 0.54 C \nATOM 764 O GLU A 170 0.021 -22.225 -22.317 1.00 -0.58 O \nATOM 765 CB GLU A 170 -0.659 -19.316 -23.754 1.00 0.06 C \nATOM 766 CG GLU A 170 -1.552 -18.081 -23.825 1.00 0.01 C \nATOM 767 CD GLU A 170 -1.496 -17.378 -25.180 1.00 0.81 C \nATOM 768 OE1 GLU A 170 -0.930 -17.953 -26.142 1.00 -0.82 O \nATOM 769 OE2 GLU A 170 -2.022 -16.247 -25.283 1.00 -0.82 O \nATOM 770 HA GLU A 170 -1.459 -20.210 -21.968 1.00 0.11 H \nATOM 771 HB2 GLU A 170 0.333 -19.049 -24.148 1.00 -0.02 H \nATOM 772 HB3 GLU A 170 -1.104 -20.101 -24.383 1.00 -0.02 H \nATOM 773 HG2 GLU A 170 -2.591 -18.388 -23.633 1.00 -0.04 H \nATOM 774 HG3 GLU A 170 -1.230 -17.371 -23.049 1.00 -0.04 H \nATOM 775 H GLU A 170 0.205 -17.932 -21.854 1.00 0.29 H \nATOM 776 N LYS A 171 1.751 -20.809 -22.474 1.00 -0.35 N \nATOM 777 CA LYS A 171 2.725 -21.885 -22.579 1.00 -0.24 C \nATOM 778 C LYS A 171 2.844 -22.705 -21.303 1.00 0.73 C \nATOM 779 O LYS A 171 3.069 -23.911 -21.356 1.00 -0.59 O \nATOM 780 CB LYS A 171 4.081 -21.349 -23.056 1.00 -0.01 C \nATOM 781 CG LYS A 171 4.147 -21.294 -24.576 1.00 0.02 C \nATOM 782 CD LYS A 171 4.767 -20.011 -25.118 1.00 -0.05 C \nATOM 783 CE LYS A 171 4.046 -19.585 -26.400 1.00 -0.01 C \nATOM 784 NZ LYS A 171 4.983 -19.151 -27.471 1.00 -0.39 N \nATOM 785 HA LYS A 171 2.359 -22.570 -23.358 1.00 0.14 H \nATOM 786 HB2 LYS A 171 4.228 -20.336 -22.653 1.00 0.04 H \nATOM 787 HB3 LYS A 171 4.879 -22.010 -22.686 1.00 0.04 H \nATOM 788 HG2 LYS A 171 4.748 -22.145 -24.928 1.00 0.01 H \nATOM 789 HG3 LYS A 171 3.124 -21.379 -24.971 1.00 0.01 H \nATOM 790 HD2 LYS A 171 4.674 -19.214 -24.365 1.00 0.06 H \nATOM 791 HD3 LYS A 171 5.831 -20.185 -25.338 1.00 0.06 H \nATOM 792 HE2 LYS A 171 3.457 -20.437 -26.772 1.00 0.11 H \nATOM 793 HE3 LYS A 171 3.372 -18.749 -26.163 1.00 0.11 H \nATOM 794 HZ1 LYS A 171 5.608 -19.908 -27.697 1.00 0.34 H \nATOM 795 HZ2 LYS A 171 4.458 -18.892 -28.292 1.00 0.34 H \nATOM 796 HZ3 LYS A 171 5.517 -18.359 -27.149 1.00 0.34 H \nATOM 797 H LYS A 171 2.061 -19.858 -22.476 1.00 0.27 H \nATOM 798 N ALA A 172 2.677 -22.059 -20.157 1.00 -0.42 N \nATOM 799 CA ALA A 172 2.712 -22.778 -18.891 1.00 0.03 C \nATOM 800 C ALA A 172 1.355 -23.427 -18.627 1.00 0.60 C \nATOM 801 O ALA A 172 1.187 -24.164 -17.662 1.00 -0.57 O \nATOM 802 CB ALA A 172 3.097 -21.847 -17.759 1.00 -0.18 C \nATOM 803 HA ALA A 172 3.471 -23.571 -18.960 1.00 0.08 H \nATOM 804 HB1 ALA A 172 3.118 -22.408 -16.813 1.00 0.06 H \nATOM 805 HB2 ALA A 172 4.093 -21.423 -17.955 1.00 0.06 H \nATOM 806 HB3 ALA A 172 2.360 -21.034 -17.687 1.00 0.06 H \nATOM 807 H ALA A 172 2.526 -21.070 -20.162 1.00 0.27 H \nATOM 808 N GLY A 173 0.389 -23.143 -19.495 1.00 -0.42 N \nATOM 809 CA GLY A 173 -0.942 -23.712 -19.384 1.00 -0.03 C \nATOM 810 C GLY A 173 -1.770 -23.210 -18.208 1.00 0.60 C \nATOM 811 O GLY A 173 -2.775 -23.820 -17.845 1.00 -0.57 O \nATOM 812 HA3 GLY A 173 -1.489 -23.478 -20.309 1.00 0.07 H \nATOM 813 HA2 GLY A 173 -0.838 -24.803 -19.285 1.00 0.07 H \nATOM 814 H GLY A 173 0.586 -22.517 -20.249 1.00 0.27 H \nATOM 815 N VAL A 174 -1.359 -22.097 -17.613 1.00 -0.42 N \nATOM 816 CA VAL A 174 -2.082 -21.539 -16.479 1.00 -0.09 C \nATOM 817 C VAL A 174 -3.143 -20.534 -16.918 1.00 0.60 C \nATOM 818 O VAL A 174 -3.805 -19.912 -16.090 1.00 -0.57 O \nATOM 819 CB VAL A 174 -1.131 -20.857 -15.499 1.00 0.30 C \nATOM 820 CG1 VAL A 174 -0.167 -21.872 -14.919 1.00 -0.32 C \nATOM 821 CG2 VAL A 174 -0.385 -19.730 -16.188 1.00 -0.32 C \nATOM 822 HA VAL A 174 -2.584 -22.367 -15.958 1.00 0.10 H \nATOM 823 HB VAL A 174 -1.723 -20.429 -14.676 1.00 -0.03 H \nATOM 824 HG11 VAL A 174 0.410 -22.336 -15.732 1.00 0.08 H \nATOM 825 HG12 VAL A 174 0.520 -21.369 -14.222 1.00 0.08 H \nATOM 826 HG13 VAL A 174 -0.731 -22.648 -14.381 1.00 0.08 H \nATOM 827 HG21 VAL A 174 -1.106 -18.994 -16.573 1.00 0.08 H \nATOM 828 HG22 VAL A 174 0.288 -19.242 -15.468 1.00 0.08 H \nATOM 829 HG23 VAL A 174 0.204 -20.137 -17.023 1.00 0.08 H \nATOM 830 H VAL A 174 -0.539 -21.634 -17.949 1.00 0.27 H \nATOM 831 N GLU A 175 -3.304 -20.392 -18.225 1.00 -0.52 N \nATOM 832 CA GLU A 175 -4.225 -19.413 -18.790 1.00 0.04 C \nATOM 833 C GLU A 175 -5.645 -19.564 -18.253 1.00 0.54 C \nATOM 834 O GLU A 175 -6.268 -18.587 -17.846 1.00 -0.58 O \nATOM 835 CB GLU A 175 -4.224 -19.527 -20.311 1.00 0.06 C \nATOM 836 CG GLU A 175 -5.073 -18.510 -21.036 1.00 0.01 C \nATOM 837 CD GLU A 175 -5.286 -18.894 -22.498 1.00 0.81 C \nATOM 838 OE1 GLU A 175 -4.862 -20.010 -22.888 1.00 -0.82 O \nATOM 839 OE2 GLU A 175 -5.878 -18.089 -23.253 1.00 -0.82 O \nATOM 840 HA GLU A 175 -3.865 -18.410 -18.515 1.00 0.11 H \nATOM 841 HB2 GLU A 175 -3.187 -19.414 -20.659 1.00 -0.02 H \nATOM 842 HB3 GLU A 175 -4.593 -20.529 -20.577 1.00 -0.02 H \nATOM 843 HG2 GLU A 175 -6.052 -18.443 -20.539 1.00 -0.04 H \nATOM 844 HG3 GLU A 175 -4.572 -17.532 -20.993 1.00 -0.04 H \nATOM 845 H GLU A 175 -2.777 -20.975 -18.844 1.00 0.29 H \nATOM 846 N HIS A 176 -6.159 -20.788 -18.248 1.00 -0.42 N \nATOM 847 CA HIS A 176 -7.529 -21.021 -17.796 1.00 0.02 C \nATOM 848 C HIS A 176 -7.645 -21.021 -16.268 1.00 0.60 C \nATOM 849 O HIS A 176 -8.670 -20.628 -15.718 1.00 -0.57 O \nATOM 850 CB HIS A 176 -8.090 -22.311 -18.404 1.00 -0.05 C \nATOM 851 CG HIS A 176 -7.913 -22.397 -19.891 1.00 -0.03 C \nATOM 852 ND1 HIS A 176 -8.707 -21.700 -20.777 1.00 -0.38 N \nATOM 853 CD2 HIS A 176 -7.019 -23.081 -20.645 1.00 0.13 C \nATOM 854 CE1 HIS A 176 -8.315 -21.956 -22.013 1.00 0.21 C \nATOM 855 NE2 HIS A 176 -7.292 -22.791 -21.960 1.00 -0.57 N \nATOM 856 HA HIS A 176 -8.143 -20.187 -18.168 1.00 0.09 H \nATOM 857 HB2 HIS A 176 -7.575 -23.166 -17.942 1.00 0.04 H \nATOM 858 HB3 HIS A 176 -9.165 -22.364 -18.178 1.00 0.04 H \nATOM 859 HD2 HIS A 176 -6.232 -23.738 -20.278 1.00 0.11 H \nATOM 860 HE1 HIS A 176 -8.759 -21.549 -22.920 1.00 0.14 H \nATOM 861 HD1 HIS A 176 -9.485 -21.077 -20.516 1.00 0.36 H \nATOM 862 H HIS A 176 -5.602 -21.559 -18.557 1.00 0.27 H \nATOM 863 N GLN A 177 -6.593 -21.454 -15.583 1.00 -0.42 N \nATOM 864 CA GLN A 177 -6.564 -21.338 -14.134 1.00 -0.00 C \nATOM 865 C GLN A 177 -6.667 -19.864 -13.730 1.00 0.60 C \nATOM 866 O GLN A 177 -7.420 -19.520 -12.822 1.00 -0.57 O \nATOM 867 CB GLN A 177 -5.302 -21.978 -13.540 1.00 -0.00 C \nATOM 868 CG GLN A 177 -5.068 -21.606 -12.073 1.00 -0.06 C \nATOM 869 CD GLN A 177 -3.955 -22.409 -11.411 1.00 0.70 C \nATOM 870 OE1 GLN A 177 -3.067 -22.944 -12.077 1.00 -0.61 O \nATOM 871 NE2 GLN A 177 -4.004 -22.496 -10.083 1.00 -0.94 N \nATOM 872 HA GLN A 177 -7.438 -21.870 -13.729 1.00 0.09 H \nATOM 873 HB2 GLN A 177 -5.398 -23.071 -13.612 1.00 0.02 H \nATOM 874 HB3 GLN A 177 -4.433 -21.647 -14.127 1.00 0.02 H \nATOM 875 HG2 GLN A 177 -4.805 -20.539 -12.022 1.00 0.04 H \nATOM 876 HG3 GLN A 177 -6.001 -21.780 -11.517 1.00 0.04 H \nATOM 877 HE22 GLN A 177 -3.302 -23.009 -9.589 1.00 0.43 H \nATOM 878 HE21 GLN A 177 -4.743 -22.048 -9.579 1.00 0.43 H \nATOM 879 H GLN A 177 -5.818 -21.861 -16.066 1.00 0.27 H \nATOM 880 N LEU A 178 -5.914 -18.998 -14.406 1.00 -0.42 N \nATOM 881 CA LEU A 178 -5.957 -17.574 -14.102 1.00 -0.05 C \nATOM 882 C LEU A 178 -7.379 -17.036 -14.217 1.00 0.60 C \nATOM 883 O LEU A 178 -7.855 -16.303 -13.341 1.00 -0.57 O \nATOM 884 CB LEU A 178 -5.029 -16.775 -15.020 1.00 -0.11 C \nATOM 885 CG LEU A 178 -5.088 -15.265 -14.764 1.00 0.35 C \nATOM 886 CD1 LEU A 178 -4.758 -14.981 -13.311 1.00 -0.41 C \nATOM 887 CD2 LEU A 178 -4.165 -14.488 -15.676 1.00 -0.41 C \nATOM 888 HA LEU A 178 -5.617 -17.437 -13.065 1.00 0.09 H \nATOM 889 HB2 LEU A 178 -3.996 -17.118 -14.859 1.00 0.05 H \nATOM 890 HB3 LEU A 178 -5.320 -16.965 -16.064 1.00 0.05 H \nATOM 891 HG LEU A 178 -6.117 -14.927 -14.959 1.00 -0.04 H \nATOM 892 HD21 LEU A 178 -4.443 -14.674 -16.724 1.00 0.10 H \nATOM 893 HD22 LEU A 178 -4.254 -13.413 -15.458 1.00 0.10 H \nATOM 894 HD23 LEU A 178 -3.127 -14.812 -15.509 1.00 0.10 H \nATOM 895 HD11 LEU A 178 -3.751 -15.359 -13.083 1.00 0.10 H \nATOM 896 HD12 LEU A 178 -4.791 -13.896 -13.133 1.00 0.10 H \nATOM 897 HD13 LEU A 178 -5.493 -15.482 -12.664 1.00 0.10 H \nATOM 898 H LEU A 178 -5.311 -19.330 -15.132 1.00 0.27 H \nATOM 899 N ARG A 179 -8.057 -17.404 -15.298 1.00 -0.35 N \nATOM 900 CA ARG A 179 -9.415 -16.931 -15.530 1.00 -0.26 C \nATOM 901 C ARG A 179 -10.374 -17.389 -14.438 1.00 0.73 C \nATOM 902 O ARG A 179 -11.213 -16.610 -13.985 1.00 -0.59 O \nATOM 903 CB ARG A 179 -9.925 -17.363 -16.903 1.00 -0.00 C \nATOM 904 CG ARG A 179 -11.229 -16.692 -17.297 1.00 0.04 C \nATOM 905 CD ARG A 179 -11.691 -17.138 -18.674 1.00 0.05 C \nATOM 906 NE ARG A 179 -10.727 -16.790 -19.717 1.00 -0.53 N \nATOM 907 CZ ARG A 179 -10.737 -15.646 -20.397 1.00 0.81 C \nATOM 908 NH1 ARG A 179 -9.819 -15.418 -21.329 1.00 -0.86 N \nATOM 909 NH2 ARG A 179 -11.664 -14.727 -20.146 1.00 -0.86 N \nATOM 910 HA ARG A 179 -9.390 -15.831 -15.512 1.00 0.16 H \nATOM 911 HB2 ARG A 179 -9.162 -17.111 -17.654 1.00 0.03 H \nATOM 912 HB3 ARG A 179 -10.082 -18.452 -16.891 1.00 0.03 H \nATOM 913 HG2 ARG A 179 -12.002 -16.952 -16.559 1.00 0.03 H \nATOM 914 HG3 ARG A 179 -11.082 -15.602 -17.305 1.00 0.03 H \nATOM 915 HD2 ARG A 179 -11.827 -18.230 -18.666 1.00 0.07 H \nATOM 916 HD3 ARG A 179 -12.651 -16.651 -18.901 1.00 0.07 H \nATOM 917 HE ARG A 179 -9.992 -17.476 -19.940 1.00 0.35 H \nATOM 918 HH12 ARG A 179 -9.828 -14.532 -21.855 1.00 0.45 H \nATOM 919 HH11 ARG A 179 -9.098 -16.127 -21.526 1.00 0.45 H \nATOM 920 HH22 ARG A 179 -11.669 -13.843 -20.674 1.00 0.45 H \nATOM 921 HH21 ARG A 179 -12.377 -14.899 -19.423 1.00 0.45 H \nATOM 922 H ARG A 179 -7.628 -18.015 -15.963 1.00 0.27 H \nATOM 923 N ARG A 180 -10.249 -18.643 -14.013 1.00 -0.35 N \nATOM 924 CA ARG A 180 -11.109 -19.168 -12.951 1.00 -0.26 C \nATOM 925 C ARG A 180 -10.893 -18.416 -11.638 1.00 0.73 C \nATOM 926 O ARG A 180 -11.850 -18.056 -10.952 1.00 -0.59 O \nATOM 927 CB ARG A 180 -10.871 -20.665 -12.712 1.00 -0.00 C \nATOM 928 CG ARG A 180 -11.037 -21.572 -13.928 1.00 0.04 C \nATOM 929 CD ARG A 180 -10.987 -23.054 -13.521 1.00 0.05 C \nATOM 930 NE ARG A 180 -9.952 -23.342 -12.522 1.00 -0.53 N \nATOM 931 CZ ARG A 180 -8.864 -24.074 -12.752 1.00 0.81 C \nATOM 932 NH1 ARG A 180 -7.977 -24.275 -11.783 1.00 -0.86 N \nATOM 933 NH2 ARG A 180 -8.659 -24.607 -13.950 1.00 -0.86 N \nATOM 934 HA ARG A 180 -12.154 -19.029 -13.264 1.00 0.16 H \nATOM 935 HB2 ARG A 180 -9.843 -20.787 -12.339 1.00 0.03 H \nATOM 936 HB3 ARG A 180 -11.582 -21.000 -11.943 1.00 0.03 H \nATOM 937 HG2 ARG A 180 -12.006 -21.362 -14.404 1.00 0.03 H \nATOM 938 HG3 ARG A 180 -10.226 -21.368 -14.643 1.00 0.03 H \nATOM 939 HD2 ARG A 180 -11.965 -23.335 -13.103 1.00 0.07 H \nATOM 940 HD3 ARG A 180 -10.785 -23.657 -14.419 1.00 0.07 H \nATOM 941 HE ARG A 180 -10.076 -22.951 -11.577 1.00 0.35 H \nATOM 942 HH12 ARG A 180 -7.136 -24.842 -11.964 1.00 0.45 H \nATOM 943 HH11 ARG A 180 -8.130 -23.864 -10.851 1.00 0.45 H \nATOM 944 HH22 ARG A 180 -7.816 -25.173 -14.125 1.00 0.45 H \nATOM 945 HH21 ARG A 180 -9.343 -24.455 -14.705 1.00 0.45 H \nATOM 946 H ARG A 180 -9.557 -19.236 -14.425 1.00 0.27 H \nATOM 947 N GLU A 181 -9.633 -18.186 -11.286 1.00 -0.52 N \nATOM 948 CA GLU A 181 -9.320 -17.558 -10.010 1.00 0.04 C \nATOM 949 C GLU A 181 -9.729 -16.095 -10.006 1.00 0.54 C \nATOM 950 O GLU A 181 -10.139 -15.560 -8.980 1.00 -0.58 O \nATOM 951 CB GLU A 181 -7.840 -17.729 -9.674 1.00 0.06 C \nATOM 952 CG GLU A 181 -7.423 -19.191 -9.706 1.00 0.01 C \nATOM 953 CD GLU A 181 -6.040 -19.433 -9.141 1.00 0.81 C \nATOM 954 OE1 GLU A 181 -5.307 -18.442 -8.907 1.00 -0.82 O \nATOM 955 OE2 GLU A 181 -5.691 -20.621 -8.935 1.00 -0.82 O \nATOM 956 HA GLU A 181 -9.903 -18.070 -9.230 1.00 0.11 H \nATOM 957 HB2 GLU A 181 -7.241 -17.171 -10.408 1.00 -0.02 H \nATOM 958 HB3 GLU A 181 -7.654 -17.327 -8.667 1.00 -0.02 H \nATOM 959 HG2 GLU A 181 -8.147 -19.773 -9.117 1.00 -0.04 H \nATOM 960 HG3 GLU A 181 -7.438 -19.535 -10.751 1.00 -0.04 H \nATOM 961 H GLU A 181 -8.891 -18.447 -11.904 1.00 0.29 H \nATOM 962 N VAL A 182 -9.636 -15.450 -11.161 1.00 -0.42 N \nATOM 963 CA VAL A 182 -10.059 -14.066 -11.268 1.00 -0.09 C \nATOM 964 C VAL A 182 -11.571 -13.941 -11.053 1.00 0.60 C \nATOM 965 O VAL A 182 -12.042 -13.021 -10.378 1.00 -0.57 O \nATOM 966 CB VAL A 182 -9.633 -13.449 -12.617 1.00 0.30 C \nATOM 967 CG1 VAL A 182 -10.415 -12.183 -12.895 1.00 -0.32 C \nATOM 968 CG2 VAL A 182 -8.135 -13.163 -12.616 1.00 -0.32 C \nATOM 969 HA VAL A 182 -9.558 -13.500 -10.469 1.00 0.10 H \nATOM 970 HB VAL A 182 -9.849 -14.174 -13.416 1.00 -0.03 H \nATOM 971 HG11 VAL A 182 -10.235 -11.456 -12.089 1.00 0.08 H \nATOM 972 HG12 VAL A 182 -10.090 -11.754 -13.854 1.00 0.08 H \nATOM 973 HG13 VAL A 182 -11.488 -12.418 -12.944 1.00 0.08 H \nATOM 974 HG21 VAL A 182 -7.583 -14.100 -12.449 1.00 0.08 H \nATOM 975 HG22 VAL A 182 -7.843 -12.734 -13.586 1.00 0.08 H \nATOM 976 HG23 VAL A 182 -7.899 -12.450 -11.813 1.00 0.08 H \nATOM 977 H VAL A 182 -9.272 -15.921 -11.964 1.00 0.27 H \nATOM 978 N GLU A 183 -12.329 -14.881 -11.611 1.00 -0.52 N \nATOM 979 CA GLU A 183 -13.779 -14.869 -11.455 1.00 0.04 C \nATOM 980 C GLU A 183 -14.148 -15.085 -9.994 1.00 0.54 C \nATOM 981 O GLU A 183 -14.961 -14.360 -9.434 1.00 -0.58 O \nATOM 982 CB GLU A 183 -14.431 -15.936 -12.343 1.00 0.06 C \nATOM 983 CG GLU A 183 -15.921 -16.153 -12.086 1.00 0.01 C \nATOM 984 CD GLU A 183 -16.763 -14.917 -12.383 1.00 0.81 C \nATOM 985 OE1 GLU A 183 -17.970 -14.926 -12.054 1.00 -0.82 O \nATOM 986 OE2 GLU A 183 -16.224 -13.936 -12.944 1.00 -0.82 O \nATOM 987 HA GLU A 183 -14.155 -13.883 -11.767 1.00 0.11 H \nATOM 988 HB2 GLU A 183 -14.304 -15.633 -13.393 1.00 -0.02 H \nATOM 989 HB3 GLU A 183 -13.911 -16.890 -12.171 1.00 -0.02 H \nATOM 990 HG2 GLU A 183 -16.271 -16.977 -12.725 1.00 -0.04 H \nATOM 991 HG3 GLU A 183 -16.058 -16.425 -11.029 1.00 -0.04 H \nATOM 992 H GLU A 183 -11.898 -15.607 -12.146 1.00 0.29 H \nATOM 993 N ILE A 184 -13.530 -16.087 -9.385 1.00 -0.42 N \nATOM 994 CA ILE A 184 -13.716 -16.376 -7.972 1.00 -0.06 C \nATOM 995 C ILE A 184 -13.240 -15.221 -7.090 1.00 0.60 C \nATOM 996 O ILE A 184 -13.977 -14.729 -6.233 1.00 -0.57 O \nATOM 997 CB ILE A 184 -12.964 -17.652 -7.591 1.00 0.13 C \nATOM 998 CG1 ILE A 184 -13.599 -18.857 -8.286 1.00 -0.04 C \nATOM 999 CG2 ILE A 184 -12.954 -17.843 -6.091 1.00 -0.32 C \nATOM 1000 CD1 ILE A 184 -12.730 -20.090 -8.274 1.00 -0.07 C \nATOM 1001 HA ILE A 184 -14.790 -16.532 -7.790 1.00 0.09 H \nATOM 1002 HB ILE A 184 -11.923 -17.559 -7.935 1.00 0.02 H \nATOM 1003 HG12 ILE A 184 -14.545 -19.093 -7.777 1.00 0.02 H \nATOM 1004 HG13 ILE A 184 -13.804 -18.587 -9.332 1.00 0.02 H \nATOM 1005 HD11 ILE A 184 -12.515 -20.377 -7.234 1.00 0.02 H \nATOM 1006 HD12 ILE A 184 -13.255 -20.913 -8.780 1.00 0.02 H \nATOM 1007 HD13 ILE A 184 -11.787 -19.879 -8.799 1.00 0.02 H \nATOM 1008 HG21 ILE A 184 -13.988 -17.908 -5.723 1.00 0.09 H \nATOM 1009 HG22 ILE A 184 -12.417 -18.771 -5.843 1.00 0.09 H \nATOM 1010 HG23 ILE A 184 -12.449 -16.989 -5.616 1.00 0.09 H \nATOM 1011 H ILE A 184 -12.913 -16.666 -9.917 1.00 0.27 H \nATOM 1012 N GLN A 185 -12.006 -14.785 -7.312 1.00 -0.42 N \nATOM 1013 CA GLN A 185 -11.412 -13.727 -6.507 1.00 -0.00 C \nATOM 1014 C GLN A 185 -12.243 -12.448 -6.554 1.00 0.60 C \nATOM 1015 O GLN A 185 -12.353 -11.731 -5.560 1.00 -0.57 O \nATOM 1016 CB GLN A 185 -9.991 -13.433 -6.986 1.00 -0.00 C \nATOM 1017 CG GLN A 185 -9.158 -12.686 -5.981 1.00 -0.06 C \nATOM 1018 CD GLN A 185 -9.086 -13.419 -4.654 1.00 0.70 C \nATOM 1019 OE1 GLN A 185 -8.752 -14.603 -4.606 1.00 -0.61 O \nATOM 1020 NE2 GLN A 185 -9.408 -12.720 -3.572 1.00 -0.94 N \nATOM 1021 HA GLN A 185 -11.367 -14.073 -5.464 1.00 0.09 H \nATOM 1022 HB2 GLN A 185 -9.494 -14.389 -7.207 1.00 0.02 H \nATOM 1023 HB3 GLN A 185 -10.051 -12.830 -7.904 1.00 0.02 H \nATOM 1024 HG2 GLN A 185 -8.139 -12.569 -6.379 1.00 0.04 H \nATOM 1025 HG3 GLN A 185 -9.603 -11.694 -5.816 1.00 0.04 H \nATOM 1026 HE22 GLN A 185 -9.378 -13.152 -2.671 1.00 0.43 H \nATOM 1027 HE21 GLN A 185 -9.680 -11.762 -3.659 1.00 0.43 H \nATOM 1028 H GLN A 185 -11.471 -15.194 -8.051 1.00 0.27 H \nATOM 1029 N SER A 186 -12.829 -12.166 -7.711 1.00 -0.42 N \nATOM 1030 CA SER A 186 -13.565 -10.922 -7.904 1.00 -0.02 C \nATOM 1031 C SER A 186 -14.815 -10.846 -7.029 1.00 0.60 C \nATOM 1032 O SER A 186 -15.327 -9.763 -6.770 1.00 -0.57 O \nATOM 1033 CB SER A 186 -13.953 -10.747 -9.374 1.00 0.21 C \nATOM 1034 OG SER A 186 -15.085 -11.550 -9.684 1.00 -0.65 O \nATOM 1035 HA SER A 186 -12.902 -10.092 -7.621 1.00 0.08 H \nATOM 1036 HB2 SER A 186 -14.195 -9.691 -9.562 1.00 0.04 H \nATOM 1037 HB3 SER A 186 -13.108 -11.049 -10.011 1.00 0.04 H \nATOM 1038 HG SER A 186 -15.316 -11.433 -10.598 1.00 0.43 H \nATOM 1039 H SER A 186 -12.765 -12.819 -8.465 1.00 0.27 H \nATOM 1040 N HIS A 187 -15.311 -11.990 -6.577 1.00 -0.42 N \nATOM 1041 CA HIS A 187 -16.473 -11.986 -5.695 1.00 0.02 C \nATOM 1042 C HIS A 187 -16.118 -12.018 -4.205 1.00 0.60 C \nATOM 1043 O HIS A 187 -17.005 -11.986 -3.356 1.00 -0.57 O \nATOM 1044 CB HIS A 187 -17.413 -13.132 -6.045 1.00 -0.05 C \nATOM 1045 CG HIS A 187 -17.849 -13.124 -7.474 1.00 -0.03 C \nATOM 1046 ND1 HIS A 187 -18.381 -12.005 -8.080 1.00 -0.38 N \nATOM 1047 CD2 HIS A 187 -17.825 -14.090 -8.423 1.00 0.13 C \nATOM 1048 CE1 HIS A 187 -18.668 -12.284 -9.338 1.00 0.21 C \nATOM 1049 NE2 HIS A 187 -18.340 -13.543 -9.572 1.00 -0.57 N \nATOM 1050 HA HIS A 187 -17.012 -11.045 -5.877 1.00 0.09 H \nATOM 1051 HB2 HIS A 187 -16.896 -14.082 -5.843 1.00 0.04 H \nATOM 1052 HB3 HIS A 187 -18.306 -13.058 -5.407 1.00 0.04 H \nATOM 1053 HD2 HIS A 187 -17.465 -15.110 -8.298 1.00 0.11 H \nATOM 1054 HE1 HIS A 187 -19.101 -11.594 -10.060 1.00 0.14 H \nATOM 1055 HD1 HIS A 187 -18.531 -11.094 -7.623 1.00 0.36 H \nATOM 1056 H HIS A 187 -14.888 -12.857 -6.841 1.00 0.27 H \nATOM 1057 N LEU A 188 -14.825 -12.054 -3.893 1.00 -0.42 N \nATOM 1058 CA LEU A 188 -14.383 -12.150 -2.508 1.00 -0.05 C \nATOM 1059 C LEU A 188 -14.028 -10.789 -1.936 1.00 0.60 C \nATOM 1060 O LEU A 188 -13.225 -10.052 -2.509 1.00 -0.57 O \nATOM 1061 CB LEU A 188 -13.183 -13.097 -2.367 1.00 -0.11 C \nATOM 1062 CG LEU A 188 -13.363 -14.565 -2.772 1.00 0.35 C \nATOM 1063 CD1 LEU A 188 -12.139 -15.388 -2.384 1.00 -0.41 C \nATOM 1064 CD2 LEU A 188 -14.622 -15.158 -2.157 1.00 -0.41 C \nATOM 1065 HA LEU A 188 -15.215 -12.562 -1.918 1.00 0.09 H \nATOM 1066 HB2 LEU A 188 -12.370 -12.686 -2.984 1.00 0.05 H \nATOM 1067 HB3 LEU A 188 -12.882 -13.086 -1.309 1.00 0.05 H \nATOM 1068 HG LEU A 188 -13.468 -14.604 -3.866 1.00 -0.04 H \nATOM 1069 HD21 LEU A 188 -15.499 -14.584 -2.491 1.00 0.10 H \nATOM 1070 HD22 LEU A 188 -14.727 -16.206 -2.475 1.00 0.10 H \nATOM 1071 HD23 LEU A 188 -14.551 -15.113 -1.060 1.00 0.10 H \nATOM 1072 HD11 LEU A 188 -11.986 -15.328 -1.296 1.00 0.10 H \nATOM 1073 HD12 LEU A 188 -12.295 -16.437 -2.675 1.00 0.10 H \nATOM 1074 HD13 LEU A 188 -11.252 -14.993 -2.901 1.00 0.10 H \nATOM 1075 H LEU A 188 -14.143 -12.014 -4.623 1.00 0.27 H \nATOM 1076 N ARG A 189 -14.638 -10.459 -0.802 1.00 -0.35 N \nATOM 1077 CA ARG A 189 -14.245 -9.276 -0.047 1.00 -0.26 C \nATOM 1078 C ARG A 189 -14.148 -9.601 1.437 1.00 0.73 C \nATOM 1079 O ARG A 189 -15.127 -10.021 2.052 1.00 -0.59 O \nATOM 1080 CB ARG A 189 -15.230 -8.134 -0.275 1.00 -0.00 C \nATOM 1081 CG ARG A 189 -15.186 -7.523 -1.677 1.00 0.04 C \nATOM 1082 CD ARG A 189 -16.174 -6.378 -1.733 1.00 0.05 C \nATOM 1083 NE ARG A 189 -16.051 -5.536 -2.913 1.00 -0.53 N \nATOM 1084 CZ ARG A 189 -16.830 -5.643 -3.983 1.00 0.81 C \nATOM 1085 NH1 ARG A 189 -16.673 -4.812 -5.000 1.00 -0.86 N \nATOM 1086 NH2 ARG A 189 -17.766 -6.583 -4.033 1.00 -0.86 N \nATOM 1087 HA ARG A 189 -13.254 -8.954 -0.399 1.00 0.16 H \nATOM 1088 HB2 ARG A 189 -16.246 -8.518 -0.100 1.00 0.03 H \nATOM 1089 HB3 ARG A 189 -15.008 -7.339 0.452 1.00 0.03 H \nATOM 1090 HG2 ARG A 189 -14.173 -7.150 -1.887 1.00 0.03 H \nATOM 1091 HG3 ARG A 189 -15.458 -8.285 -2.422 1.00 0.03 H \nATOM 1092 HD2 ARG A 189 -17.190 -6.799 -1.715 1.00 0.07 H \nATOM 1093 HD3 ARG A 189 -16.022 -5.749 -0.844 1.00 0.07 H \nATOM 1094 HE ARG A 189 -15.316 -4.814 -2.919 1.00 0.35 H \nATOM 1095 HH12 ARG A 189 -17.277 -4.894 -5.830 1.00 0.45 H \nATOM 1096 HH11 ARG A 189 -15.947 -4.083 -4.962 1.00 0.45 H \nATOM 1097 HH22 ARG A 189 -18.370 -6.665 -4.864 1.00 0.45 H \nATOM 1098 HH21 ARG A 189 -17.889 -7.230 -3.241 1.00 0.45 H \nATOM 1099 H ARG A 189 -15.381 -11.034 -0.460 1.00 0.27 H \nATOM 1100 N HIS A 190 -12.959 -9.428 2.004 1.00 -0.42 N \nATOM 1101 CA HIS A 190 -12.744 -9.707 3.422 1.00 0.02 C \nATOM 1102 C HIS A 190 -11.531 -8.935 3.912 1.00 0.60 C \nATOM 1103 O HIS A 190 -10.542 -8.806 3.191 1.00 -0.57 O \nATOM 1104 CB HIS A 190 -12.566 -11.214 3.658 1.00 -0.05 C \nATOM 1105 CG HIS A 190 -12.597 -11.612 5.101 1.00 -0.03 C \nATOM 1106 ND1 HIS A 190 -11.514 -11.462 5.943 1.00 -0.38 N \nATOM 1107 CD2 HIS A 190 -13.584 -12.165 5.854 1.00 0.13 C \nATOM 1108 CE1 HIS A 190 -11.829 -11.904 7.149 1.00 0.21 C \nATOM 1109 NE2 HIS A 190 -13.081 -12.333 7.120 1.00 -0.57 N \nATOM 1110 HA HIS A 190 -13.627 -9.369 3.985 1.00 0.09 H \nATOM 1111 HB2 HIS A 190 -13.376 -11.744 3.135 1.00 0.04 H \nATOM 1112 HB3 HIS A 190 -11.597 -11.518 3.236 1.00 0.04 H \nATOM 1113 HD2 HIS A 190 -14.586 -12.426 5.516 1.00 0.11 H \nATOM 1114 HE1 HIS A 190 -11.171 -11.913 8.017 1.00 0.14 H \nATOM 1115 HD1 HIS A 190 -10.602 -11.067 5.674 1.00 0.36 H \nATOM 1116 H HIS A 190 -12.195 -9.100 1.448 1.00 0.27 H \nATOM 1117 N PRO A 191 -11.602 -8.417 5.146 1.00 -0.25 N \nATOM 1118 CA PRO A 191 -10.510 -7.599 5.684 1.00 -0.03 C \nATOM 1119 C PRO A 191 -9.170 -8.325 5.673 1.00 0.59 C \nATOM 1120 O PRO A 191 -8.140 -7.658 5.689 1.00 -0.57 O \nATOM 1121 CB PRO A 191 -10.954 -7.316 7.123 1.00 -0.01 C \nATOM 1122 CG PRO A 191 -12.432 -7.475 7.101 1.00 0.02 C \nATOM 1123 CD PRO A 191 -12.726 -8.542 6.088 1.00 0.02 C \nATOM 1124 HA PRO A 191 -10.415 -6.664 5.113 1.00 0.06 H \nATOM 1125 HD3 PRO A 191 -13.687 -8.357 5.585 1.00 0.04 H \nATOM 1126 HD2 PRO A 191 -12.743 -9.538 6.555 1.00 0.04 H \nATOM 1127 HG3 PRO A 191 -12.912 -6.530 6.809 1.00 0.02 H \nATOM 1128 HG2 PRO A 191 -12.797 -7.780 8.093 1.00 0.02 H \nATOM 1129 HB2 PRO A 191 -10.497 -8.035 7.818 1.00 0.03 H \nATOM 1130 HB3 PRO A 191 -10.678 -6.293 7.420 1.00 0.03 H \nATOM 1131 N ASN A 192 -9.171 -9.655 5.644 1.00 -0.42 N \nATOM 1132 CA ASN A 192 -7.911 -10.393 5.676 1.00 0.01 C \nATOM 1133 C ASN A 192 -7.615 -11.185 4.401 1.00 0.60 C \nATOM 1134 O ASN A 192 -6.767 -12.081 4.388 1.00 -0.57 O \nATOM 1135 CB ASN A 192 -7.850 -11.296 6.905 1.00 -0.20 C \nATOM 1136 CG ASN A 192 -8.181 -10.550 8.168 1.00 0.71 C \nATOM 1137 OD1 ASN A 192 -9.268 -10.701 8.717 1.00 -0.59 O \nATOM 1138 ND2 ASN A 192 -7.258 -9.699 8.616 1.00 -0.92 N \nATOM 1139 HA ASN A 192 -7.109 -9.647 5.777 1.00 0.10 H \nATOM 1140 HB2 ASN A 192 -8.570 -12.118 6.778 1.00 0.08 H \nATOM 1141 HB3 ASN A 192 -6.834 -11.709 6.992 1.00 0.08 H \nATOM 1142 HD22 ASN A 192 -7.424 -9.176 9.452 1.00 0.42 H \nATOM 1143 HD21 ASN A 192 -6.399 -9.584 8.116 1.00 0.42 H \nATOM 1144 H ASN A 192 -10.038 -10.151 5.600 1.00 0.27 H \nATOM 1145 N ILE A 193 -8.323 -10.845 3.332 1.00 -0.42 N \nATOM 1146 CA ILE A 193 -8.037 -11.413 2.030 1.00 -0.06 C \nATOM 1147 C ILE A 193 -7.628 -10.280 1.105 1.00 0.60 C \nATOM 1148 O ILE A 193 -8.382 -9.323 0.935 1.00 -0.57 O \nATOM 1149 CB ILE A 193 -9.264 -12.142 1.464 1.00 0.13 C \nATOM 1150 CG1 ILE A 193 -9.666 -13.291 2.398 1.00 -0.04 C \nATOM 1151 CG2 ILE A 193 -8.978 -12.652 0.053 1.00 -0.32 C \nATOM 1152 CD1 ILE A 193 -10.931 -14.022 1.973 1.00 -0.07 C \nATOM 1153 HA ILE A 193 -7.208 -12.130 2.120 1.00 0.09 H \nATOM 1154 HB ILE A 193 -10.100 -11.429 1.411 1.00 0.02 H \nATOM 1155 HG12 ILE A 193 -8.840 -14.017 2.428 1.00 0.02 H \nATOM 1156 HG13 ILE A 193 -9.827 -12.878 3.405 1.00 0.02 H \nATOM 1157 HD11 ILE A 193 -10.790 -14.445 0.968 1.00 0.02 H \nATOM 1158 HD12 ILE A 193 -11.143 -14.833 2.686 1.00 0.02 H \nATOM 1159 HD13 ILE A 193 -11.775 -13.317 1.959 1.00 0.02 H \nATOM 1160 HG21 ILE A 193 -8.122 -13.342 0.079 1.00 0.09 H \nATOM 1161 HG22 ILE A 193 -9.863 -13.180 -0.333 1.00 0.09 H \nATOM 1162 HG23 ILE A 193 -8.743 -11.801 -0.604 1.00 0.09 H \nATOM 1163 H ILE A 193 -9.068 -10.184 3.426 1.00 0.27 H \nATOM 1164 N LEU A 194 -6.431 -10.370 0.527 1.00 -0.42 N \nATOM 1165 CA LEU A 194 -5.984 -9.359 -0.425 1.00 -0.05 C \nATOM 1166 C LEU A 194 -7.032 -9.206 -1.525 1.00 0.60 C \nATOM 1167 O LEU A 194 -7.478 -10.183 -2.118 1.00 -0.57 O \nATOM 1168 CB LEU A 194 -4.619 -9.708 -1.013 1.00 -0.11 C \nATOM 1169 CG LEU A 194 -3.804 -8.494 -1.462 1.00 0.35 C \nATOM 1170 CD1 LEU A 194 -3.267 -7.756 -0.243 1.00 -0.41 C \nATOM 1171 CD2 LEU A 194 -2.657 -8.905 -2.386 1.00 -0.41 C \nATOM 1172 HA LEU A 194 -5.892 -8.400 0.105 1.00 0.09 H \nATOM 1173 HB2 LEU A 194 -4.041 -10.248 -0.249 1.00 0.05 H \nATOM 1174 HB3 LEU A 194 -4.775 -10.361 -1.884 1.00 0.05 H \nATOM 1175 HG LEU A 194 -4.468 -7.816 -2.018 1.00 -0.04 H \nATOM 1176 HD21 LEU A 194 -3.064 -9.411 -3.274 1.00 0.10 H \nATOM 1177 HD22 LEU A 194 -2.099 -8.010 -2.698 1.00 0.10 H \nATOM 1178 HD23 LEU A 194 -1.983 -9.590 -1.851 1.00 0.10 H \nATOM 1179 HD11 LEU A 194 -2.632 -8.434 0.346 1.00 0.10 H \nATOM 1180 HD12 LEU A 194 -2.673 -6.890 -0.571 1.00 0.10 H \nATOM 1181 HD13 LEU A 194 -4.108 -7.411 0.376 1.00 0.10 H \nATOM 1182 H LEU A 194 -5.832 -11.140 0.748 1.00 0.27 H \nATOM 1183 N ARG A 195 -7.440 -7.970 -1.772 1.00 -0.35 N \nATOM 1184 CA ARG A 195 -8.576 -7.698 -2.642 1.00 -0.26 C \nATOM 1185 C ARG A 195 -8.182 -7.504 -4.113 1.00 0.73 C \nATOM 1186 O ARG A 195 -7.235 -6.780 -4.428 1.00 -0.59 O \nATOM 1187 CB ARG A 195 -9.334 -6.475 -2.109 1.00 -0.00 C \nATOM 1188 CG ARG A 195 -10.372 -5.899 -3.046 1.00 0.04 C \nATOM 1189 CD ARG A 195 -11.597 -6.788 -3.216 1.00 0.05 C \nATOM 1190 NE ARG A 195 -12.482 -6.191 -4.204 1.00 -0.53 N \nATOM 1191 CZ ARG A 195 -13.362 -6.858 -4.940 1.00 0.81 C \nATOM 1192 NH1 ARG A 195 -13.503 -8.169 -4.795 1.00 -0.86 N \nATOM 1193 NH2 ARG A 195 -14.102 -6.206 -5.826 1.00 -0.86 N \nATOM 1194 HA ARG A 195 -9.249 -8.566 -2.595 1.00 0.16 H \nATOM 1195 HB2 ARG A 195 -9.842 -6.769 -1.179 1.00 0.03 H \nATOM 1196 HB3 ARG A 195 -8.598 -5.687 -1.892 1.00 0.03 H \nATOM 1197 HG2 ARG A 195 -10.699 -4.927 -2.648 1.00 0.03 H \nATOM 1198 HG3 ARG A 195 -9.908 -5.753 -4.033 1.00 0.03 H \nATOM 1199 HD2 ARG A 195 -11.284 -7.786 -3.556 1.00 0.07 H \nATOM 1200 HD3 ARG A 195 -12.124 -6.877 -2.255 1.00 0.07 H \nATOM 1201 HE ARG A 195 -12.421 -5.172 -4.343 1.00 0.35 H \nATOM 1202 HH12 ARG A 195 -14.188 -8.680 -5.370 1.00 0.45 H \nATOM 1203 HH11 ARG A 195 -12.927 -8.676 -4.108 1.00 0.45 H \nATOM 1204 HH22 ARG A 195 -14.787 -6.717 -6.401 1.00 0.45 H \nATOM 1205 HH21 ARG A 195 -13.992 -5.188 -5.940 1.00 0.45 H \nATOM 1206 H ARG A 195 -6.955 -7.204 -1.350 1.00 0.27 H \nATOM 1207 N LEU A 196 -8.902 -8.169 -5.010 1.00 -0.42 N \nATOM 1208 CA LEU A 196 -8.747 -7.917 -6.440 1.00 -0.05 C \nATOM 1209 C LEU A 196 -9.749 -6.842 -6.859 1.00 0.60 C \nATOM 1210 O LEU A 196 -10.943 -7.115 -6.946 1.00 -0.57 O \nATOM 1211 CB LEU A 196 -8.970 -9.204 -7.252 1.00 -0.11 C \nATOM 1212 CG LEU A 196 -8.827 -9.098 -8.781 1.00 0.35 C \nATOM 1213 CD1 LEU A 196 -7.407 -8.722 -9.168 1.00 -0.41 C \nATOM 1214 CD2 LEU A 196 -9.231 -10.390 -9.470 1.00 -0.41 C \nATOM 1215 HA LEU A 196 -7.727 -7.553 -6.631 1.00 0.09 H \nATOM 1216 HB2 LEU A 196 -8.240 -9.949 -6.901 1.00 0.05 H \nATOM 1217 HB3 LEU A 196 -9.989 -9.560 -7.038 1.00 0.05 H \nATOM 1218 HG LEU A 196 -9.500 -8.301 -9.129 1.00 -0.04 H \nATOM 1219 HD21 LEU A 196 -10.278 -10.624 -9.226 1.00 0.10 H \nATOM 1220 HD22 LEU A 196 -9.126 -10.273 -10.559 1.00 0.10 H \nATOM 1221 HD23 LEU A 196 -8.582 -11.208 -9.125 1.00 0.10 H \nATOM 1222 HD11 LEU A 196 -6.710 -9.485 -8.791 1.00 0.10 H \nATOM 1223 HD12 LEU A 196 -7.329 -8.663 -10.264 1.00 0.10 H \nATOM 1224 HD13 LEU A 196 -7.154 -7.746 -8.729 1.00 0.10 H \nATOM 1225 H LEU A 196 -9.562 -8.854 -4.700 1.00 0.27 H \nATOM 1226 N TYR A 197 -9.272 -5.620 -7.087 1.00 -0.42 N \nATOM 1227 CA TYR A 197 -10.165 -4.522 -7.476 1.00 -0.00 C \nATOM 1228 C TYR A 197 -10.692 -4.699 -8.896 1.00 0.60 C \nATOM 1229 O TYR A 197 -11.793 -4.270 -9.215 1.00 -0.57 O \nATOM 1230 CB TYR A 197 -9.469 -3.164 -7.370 1.00 -0.02 C \nATOM 1231 CG TYR A 197 -8.918 -2.862 -6.012 1.00 -0.00 C \nATOM 1232 CD1 TYR A 197 -7.564 -2.619 -5.840 1.00 -0.19 C \nATOM 1233 CD2 TYR A 197 -9.745 -2.830 -4.889 1.00 -0.19 C \nATOM 1234 CE1 TYR A 197 -7.043 -2.344 -4.599 1.00 -0.23 C \nATOM 1235 CE2 TYR A 197 -9.228 -2.551 -3.636 1.00 -0.23 C \nATOM 1236 CZ TYR A 197 -7.875 -2.308 -3.500 1.00 0.32 C \nATOM 1237 OH TYR A 197 -7.330 -2.030 -2.270 1.00 -0.56 O \nATOM 1238 HA TYR A 197 -11.022 -4.526 -6.787 1.00 0.09 H \nATOM 1239 HB3 TYR A 197 -8.639 -3.144 -8.091 1.00 0.03 H \nATOM 1240 HB2 TYR A 197 -10.198 -2.382 -7.628 1.00 0.03 H \nATOM 1241 HD2 TYR A 197 -10.805 -3.026 -4.999 1.00 0.17 H \nATOM 1242 HE2 TYR A 197 -9.879 -2.523 -2.769 1.00 0.17 H \nATOM 1243 HE1 TYR A 197 -5.982 -2.156 -4.484 1.00 0.17 H \nATOM 1244 HD1 TYR A 197 -6.905 -2.646 -6.700 1.00 0.17 H \nATOM 1245 HH TYR A 197 -6.395 -1.890 -2.362 1.00 0.40 H \nATOM 1246 H TYR A 197 -8.292 -5.448 -6.992 1.00 0.27 H \nATOM 1247 N GLY A 198 -9.889 -5.332 -9.741 1.00 -0.42 N \nATOM 1248 CA GLY A 198 -10.264 -5.579 -11.115 1.00 -0.03 C \nATOM 1249 C GLY A 198 -9.047 -5.890 -11.963 1.00 0.60 C \nATOM 1250 O GLY A 198 -7.977 -6.233 -11.447 1.00 -0.57 O \nATOM 1251 HA3 GLY A 198 -10.955 -6.434 -11.151 1.00 0.07 H \nATOM 1252 HA2 GLY A 198 -10.764 -4.686 -11.518 1.00 0.07 H \nATOM 1253 H GLY A 198 -8.997 -5.648 -9.418 1.00 0.27 H \nATOM 1254 N TYR A 199 -9.206 -5.755 -13.272 1.00 -0.42 N \nATOM 1255 CA TYR A 199 -8.141 -6.095 -14.197 1.00 -0.00 C \nATOM 1256 C TYR A 199 -8.475 -5.624 -15.610 1.00 0.60 C \nATOM 1257 O TYR A 199 -9.601 -5.231 -15.908 1.00 -0.57 O \nATOM 1258 CB TYR A 199 -7.956 -7.606 -14.213 1.00 -0.02 C \nATOM 1259 CG TYR A 199 -9.234 -8.305 -14.570 1.00 -0.00 C \nATOM 1260 CD1 TYR A 199 -10.125 -8.715 -13.582 1.00 -0.19 C \nATOM 1261 CD2 TYR A 199 -9.580 -8.516 -15.901 1.00 -0.19 C \nATOM 1262 CE1 TYR A 199 -11.319 -9.346 -13.911 1.00 -0.23 C \nATOM 1263 CE2 TYR A 199 -10.768 -9.148 -16.243 1.00 -0.23 C \nATOM 1264 CZ TYR A 199 -11.631 -9.560 -15.243 1.00 0.32 C \nATOM 1265 OH TYR A 199 -12.808 -10.183 -15.582 1.00 -0.56 O \nATOM 1266 HA TYR A 199 -7.209 -5.614 -13.866 1.00 0.09 H \nATOM 1267 HB3 TYR A 199 -7.186 -7.865 -14.954 1.00 0.03 H \nATOM 1268 HB2 TYR A 199 -7.632 -7.938 -13.216 1.00 0.03 H \nATOM 1269 HD2 TYR A 199 -8.910 -8.181 -16.685 1.00 0.17 H \nATOM 1270 HE2 TYR A 199 -11.017 -9.317 -17.284 1.00 0.17 H \nATOM 1271 HE1 TYR A 199 -12.000 -9.668 -13.131 1.00 0.17 H \nATOM 1272 HD1 TYR A 199 -9.884 -8.539 -12.540 1.00 0.17 H \nATOM 1273 HH TYR A 199 -13.289 -10.403 -14.793 1.00 0.40 H \nATOM 1274 H TYR A 199 -10.075 -5.413 -13.628 1.00 0.27 H \nATOM 1275 N PHE A 200 -7.475 -5.679 -16.477 1.00 -0.42 N \nATOM 1276 CA PHE A 200 -7.635 -5.333 -17.877 1.00 -0.00 C \nATOM 1277 C PHE A 200 -6.464 -5.939 -18.640 1.00 0.60 C \nATOM 1278 O PHE A 200 -5.555 -6.525 -18.038 1.00 -0.57 O \nATOM 1279 CB PHE A 200 -7.685 -3.812 -18.061 1.00 -0.03 C \nATOM 1280 CG PHE A 200 -6.505 -3.084 -17.468 1.00 0.01 C \nATOM 1281 CD1 PHE A 200 -5.439 -2.690 -18.270 1.00 -0.13 C \nATOM 1282 CD2 PHE A 200 -6.461 -2.793 -16.110 1.00 -0.13 C \nATOM 1283 CE1 PHE A 200 -4.355 -2.019 -17.730 1.00 -0.17 C \nATOM 1284 CE2 PHE A 200 -5.381 -2.122 -15.563 1.00 -0.17 C \nATOM 1285 CZ PHE A 200 -4.327 -1.734 -16.373 1.00 -0.11 C \nATOM 1286 HA PHE A 200 -8.575 -5.764 -18.253 1.00 0.10 H \nATOM 1287 HB2 PHE A 200 -7.720 -3.595 -19.139 1.00 0.03 H \nATOM 1288 HB3 PHE A 200 -8.601 -3.435 -17.581 1.00 0.03 H \nATOM 1289 HD2 PHE A 200 -7.283 -3.095 -15.471 1.00 0.13 H \nATOM 1290 HE2 PHE A 200 -5.360 -1.901 -14.502 1.00 0.14 H \nATOM 1291 HZ PHE A 200 -3.481 -1.208 -15.947 1.00 0.13 H \nATOM 1292 HE1 PHE A 200 -3.531 -1.717 -18.366 1.00 0.14 H \nATOM 1293 HD1 PHE A 200 -5.457 -2.911 -19.331 1.00 0.13 H \nATOM 1294 H PHE A 200 -6.575 -5.970 -16.154 1.00 0.27 H \nATOM 1295 N HIS A 201 -6.488 -5.811 -19.961 1.00 -0.42 N \nATOM 1296 CA HIS A 201 -5.411 -6.348 -20.783 1.00 0.02 C \nATOM 1297 C HIS A 201 -5.206 -5.522 -22.038 1.00 0.60 C \nATOM 1298 O HIS A 201 -6.048 -4.705 -22.405 1.00 -0.57 O \nATOM 1299 CB HIS A 201 -5.700 -7.797 -21.172 1.00 -0.05 C \nATOM 1300 CG HIS A 201 -6.961 -7.973 -21.956 1.00 -0.03 C \nATOM 1301 ND1 HIS A 201 -7.018 -7.805 -23.324 1.00 -0.38 N \nATOM 1302 CD2 HIS A 201 -8.212 -8.316 -21.568 1.00 0.13 C \nATOM 1303 CE1 HIS A 201 -8.250 -8.032 -23.744 1.00 0.21 C \nATOM 1304 NE2 HIS A 201 -8.994 -8.346 -22.698 1.00 -0.57 N \nATOM 1305 HA HIS A 201 -4.483 -6.321 -20.193 1.00 0.09 H \nATOM 1306 HB2 HIS A 201 -4.860 -8.167 -21.779 1.00 0.04 H \nATOM 1307 HB3 HIS A 201 -5.778 -8.394 -20.251 1.00 0.04 H \nATOM 1308 HD2 HIS A 201 -8.538 -8.528 -20.551 1.00 0.11 H \nATOM 1309 HE1 HIS A 201 -8.594 -7.971 -24.776 1.00 0.14 H \nATOM 1310 HD1 HIS A 201 -6.223 -7.543 -23.925 1.00 0.36 H \nATOM 1311 H HIS A 201 -7.255 -5.340 -20.398 1.00 0.27 H \nATOM 1312 N ASP A 202 -4.056 -5.718 -22.668 1.00 -0.52 N \nATOM 1313 CA ASP A 202 -3.873 -5.302 -24.045 1.00 0.04 C \nATOM 1314 C ASP A 202 -3.599 -6.561 -24.851 1.00 0.54 C \nATOM 1315 O ASP A 202 -3.996 -7.653 -24.438 1.00 -0.58 O \nATOM 1316 CB ASP A 202 -2.761 -4.272 -24.185 1.00 -0.03 C \nATOM 1317 CG ASP A 202 -1.492 -4.669 -23.461 1.00 0.80 C \nATOM 1318 OD1 ASP A 202 -1.037 -5.824 -23.627 1.00 -0.80 O \nATOM 1319 OD2 ASP A 202 -0.933 -3.804 -22.747 1.00 -0.80 O \nATOM 1320 HA ASP A 202 -4.805 -4.844 -24.407 1.00 0.09 H \nATOM 1321 HB2 ASP A 202 -2.531 -4.148 -25.253 1.00 -0.01 H \nATOM 1322 HB3 ASP A 202 -3.115 -3.316 -23.773 1.00 -0.01 H \nATOM 1323 H ASP A 202 -3.301 -6.161 -22.185 1.00 0.29 H \nATOM 1324 N ALA A 203 -2.926 -6.428 -25.987 1.00 -0.42 N \nATOM 1325 CA ALA A 203 -2.741 -7.573 -26.871 1.00 0.03 C \nATOM 1326 C ALA A 203 -1.666 -8.511 -26.342 1.00 0.60 C \nATOM 1327 O ALA A 203 -1.637 -9.685 -26.687 1.00 -0.57 O \nATOM 1328 CB ALA A 203 -2.403 -7.110 -28.295 1.00 -0.18 C \nATOM 1329 HA ALA A 203 -3.689 -8.130 -26.909 1.00 0.08 H \nATOM 1330 HB1 ALA A 203 -2.268 -7.988 -28.944 1.00 0.06 H \nATOM 1331 HB2 ALA A 203 -3.224 -6.490 -28.684 1.00 0.06 H \nATOM 1332 HB3 ALA A 203 -1.475 -6.520 -28.278 1.00 0.06 H \nATOM 1333 H ALA A 203 -2.544 -5.539 -26.238 1.00 0.27 H \nATOM 1334 N THR A 204 -0.798 -7.992 -25.480 1.00 -0.42 N \nATOM 1335 CA THR A 204 0.358 -8.748 -25.021 1.00 -0.04 C \nATOM 1336 C THR A 204 0.293 -9.162 -23.538 1.00 0.60 C \nATOM 1337 O THR A 204 0.745 -10.253 -23.167 1.00 -0.57 O \nATOM 1338 CB THR A 204 1.648 -7.949 -25.275 1.00 0.37 C \nATOM 1339 OG1 THR A 204 1.587 -7.345 -26.575 1.00 -0.68 O \nATOM 1340 CG2 THR A 204 2.871 -8.855 -25.187 1.00 -0.24 C \nATOM 1341 HA THR A 204 0.402 -9.671 -25.618 1.00 0.10 H \nATOM 1342 HB THR A 204 1.734 -7.159 -24.514 1.00 0.00 H \nATOM 1343 HG1 THR A 204 2.383 -6.851 -26.733 1.00 0.41 H \nATOM 1344 HG23 THR A 204 3.331 -8.754 -24.193 1.00 0.06 H \nATOM 1345 HG21 THR A 204 2.566 -9.900 -25.345 1.00 0.06 H \nATOM 1346 HG22 THR A 204 3.599 -8.565 -25.959 1.00 0.06 H \nATOM 1347 H THR A 204 -0.942 -7.063 -25.140 1.00 0.27 H \nATOM 1348 N ARG A 205 -0.264 -8.299 -22.691 1.00 -0.35 N \nATOM 1349 CA ARG A 205 -0.263 -8.561 -21.250 1.00 -0.26 C \nATOM 1350 C ARG A 205 -1.617 -8.434 -20.579 1.00 0.73 C \nATOM 1351 O ARG A 205 -2.520 -7.744 -21.060 1.00 -0.59 O \nATOM 1352 CB ARG A 205 0.709 -7.630 -20.530 1.00 -0.00 C \nATOM 1353 CG ARG A 205 2.115 -7.669 -21.076 1.00 0.04 C \nATOM 1354 CD ARG A 205 2.634 -6.259 -21.193 1.00 0.05 C \nATOM 1355 NE ARG A 205 3.589 -5.946 -20.155 1.00 -0.53 N \nATOM 1356 CZ ARG A 205 3.759 -4.736 -19.639 1.00 0.81 C \nATOM 1357 NH1 ARG A 205 4.663 -4.559 -18.688 1.00 -0.86 N \nATOM 1358 NH2 ARG A 205 3.018 -3.716 -20.053 1.00 -0.86 N \nATOM 1359 HA ARG A 205 0.081 -9.597 -21.111 1.00 0.16 H \nATOM 1360 HB2 ARG A 205 0.332 -6.601 -20.619 1.00 0.03 H \nATOM 1361 HB3 ARG A 205 0.742 -7.918 -19.469 1.00 0.03 H \nATOM 1362 HG2 ARG A 205 2.760 -8.244 -20.395 1.00 0.03 H \nATOM 1363 HG3 ARG A 205 2.113 -8.145 -22.068 1.00 0.03 H \nATOM 1364 HD2 ARG A 205 3.122 -6.140 -22.172 1.00 0.07 H \nATOM 1365 HD3 ARG A 205 1.787 -5.561 -21.118 1.00 0.07 H \nATOM 1366 HE ARG A 205 4.175 -6.711 -19.793 1.00 0.35 H \nATOM 1367 HH12 ARG A 205 4.804 -3.624 -18.279 1.00 0.45 H \nATOM 1368 HH11 ARG A 205 5.225 -5.356 -18.357 1.00 0.45 H \nATOM 1369 HH22 ARG A 205 3.157 -2.780 -19.646 1.00 0.45 H \nATOM 1370 HH21 ARG A 205 2.304 -3.860 -20.781 1.00 0.45 H \nATOM 1371 H ARG A 205 -0.687 -7.464 -23.042 1.00 0.27 H \nATOM 1372 N VAL A 206 -1.735 -9.107 -19.441 1.00 -0.42 N \nATOM 1373 CA VAL A 206 -2.866 -8.922 -18.551 1.00 -0.09 C \nATOM 1374 C VAL A 206 -2.392 -8.171 -17.307 1.00 0.60 C \nATOM 1375 O VAL A 206 -1.261 -8.356 -16.841 1.00 -0.57 O \nATOM 1376 CB VAL A 206 -3.531 -10.267 -18.185 1.00 0.30 C \nATOM 1377 CG1 VAL A 206 -2.486 -11.347 -18.089 1.00 -0.32 C \nATOM 1378 CG2 VAL A 206 -4.324 -10.151 -16.875 1.00 -0.32 C \nATOM 1379 HA VAL A 206 -3.616 -8.304 -19.066 1.00 0.10 H \nATOM 1380 HB VAL A 206 -4.234 -10.535 -18.988 1.00 -0.03 H \nATOM 1381 HG11 VAL A 206 -1.749 -11.076 -17.319 1.00 0.08 H \nATOM 1382 HG12 VAL A 206 -2.966 -12.299 -17.818 1.00 0.08 H \nATOM 1383 HG13 VAL A 206 -1.980 -11.455 -19.060 1.00 0.08 H \nATOM 1384 HG21 VAL A 206 -5.102 -9.382 -16.984 1.00 0.08 H \nATOM 1385 HG22 VAL A 206 -4.794 -11.118 -16.644 1.00 0.08 H \nATOM 1386 HG23 VAL A 206 -3.643 -9.870 -16.058 1.00 0.08 H \nATOM 1387 H VAL A 206 -1.022 -9.762 -19.189 1.00 0.27 H \nATOM 1388 N TYR A 207 -3.260 -7.307 -16.791 1.00 -0.42 N \nATOM 1389 CA TYR A 207 -2.938 -6.483 -15.640 1.00 -0.00 C \nATOM 1390 C TYR A 207 -3.924 -6.743 -14.501 1.00 0.60 C \nATOM 1391 O TYR A 207 -5.135 -6.606 -14.661 1.00 -0.57 O \nATOM 1392 CB TYR A 207 -2.954 -5.006 -16.038 1.00 -0.02 C \nATOM 1393 CG TYR A 207 -2.077 -4.692 -17.233 1.00 -0.00 C \nATOM 1394 CD1 TYR A 207 -0.787 -4.208 -17.062 1.00 -0.19 C \nATOM 1395 CD2 TYR A 207 -2.540 -4.871 -18.527 1.00 -0.19 C \nATOM 1396 CE1 TYR A 207 0.019 -3.910 -18.137 1.00 -0.23 C \nATOM 1397 CE2 TYR A 207 -1.742 -4.573 -19.623 1.00 -0.23 C \nATOM 1398 CZ TYR A 207 -0.460 -4.094 -19.423 1.00 0.32 C \nATOM 1399 OH TYR A 207 0.348 -3.800 -20.500 1.00 -0.56 O \nATOM 1400 HA TYR A 207 -1.927 -6.743 -15.293 1.00 0.09 H \nATOM 1401 HB3 TYR A 207 -3.989 -4.722 -16.281 1.00 0.03 H \nATOM 1402 HB2 TYR A 207 -2.602 -4.411 -15.182 1.00 0.03 H \nATOM 1403 HD2 TYR A 207 -3.543 -5.250 -18.686 1.00 0.17 H \nATOM 1404 HE2 TYR A 207 -2.121 -4.715 -20.629 1.00 0.17 H \nATOM 1405 HE1 TYR A 207 1.023 -3.533 -17.978 1.00 0.17 H \nATOM 1406 HD1 TYR A 207 -0.406 -4.061 -16.058 1.00 0.17 H \nATOM 1407 HH TYR A 207 1.189 -3.486 -20.189 1.00 0.40 H \nATOM 1408 H TYR A 207 -4.164 -7.222 -17.209 1.00 0.27 H \nATOM 1409 N LEU A 208 -3.403 -7.142 -13.351 1.00 -0.42 N \nATOM 1410 CA LEU A 208 -4.250 -7.386 -12.198 1.00 -0.05 C \nATOM 1411 C LEU A 208 -4.121 -6.187 -11.267 1.00 0.60 C \nATOM 1412 O LEU A 208 -3.013 -5.809 -10.875 1.00 -0.57 O \nATOM 1413 CB LEU A 208 -3.816 -8.669 -11.491 1.00 -0.11 C \nATOM 1414 CG LEU A 208 -4.413 -10.034 -11.847 1.00 0.35 C \nATOM 1415 CD1 LEU A 208 -5.006 -10.113 -13.231 1.00 -0.41 C \nATOM 1416 CD2 LEU A 208 -3.371 -11.124 -11.645 1.00 -0.41 C \nATOM 1417 HA LEU A 208 -5.296 -7.490 -12.522 1.00 0.09 H \nATOM 1418 HB2 LEU A 208 -2.731 -8.756 -11.650 1.00 0.05 H \nATOM 1419 HB3 LEU A 208 -4.018 -8.514 -10.421 1.00 0.05 H \nATOM 1420 HG LEU A 208 -5.233 -10.220 -11.138 1.00 -0.04 H \nATOM 1421 HD21 LEU A 208 -3.041 -11.126 -10.596 1.00 0.10 H \nATOM 1422 HD22 LEU A 208 -3.810 -12.102 -11.893 1.00 0.10 H \nATOM 1423 HD23 LEU A 208 -2.509 -10.933 -12.301 1.00 0.10 H \nATOM 1424 HD11 LEU A 208 -4.228 -9.890 -13.976 1.00 0.10 H \nATOM 1425 HD12 LEU A 208 -5.400 -11.125 -13.404 1.00 0.10 H \nATOM 1426 HD13 LEU A 208 -5.822 -9.381 -13.322 1.00 0.10 H \nATOM 1427 H LEU A 208 -2.415 -7.277 -13.276 1.00 0.27 H \nATOM 1428 N ILE A 209 -5.252 -5.576 -10.933 1.00 -0.42 N \nATOM 1429 CA ILE A 209 -5.263 -4.445 -10.018 1.00 -0.06 C \nATOM 1430 C ILE A 209 -5.504 -4.931 -8.593 1.00 0.60 C \nATOM 1431 O ILE A 209 -6.635 -5.242 -8.224 1.00 -0.57 O \nATOM 1432 CB ILE A 209 -6.360 -3.444 -10.389 1.00 0.13 C \nATOM 1433 CG1 ILE A 209 -6.261 -3.085 -11.873 1.00 -0.04 C \nATOM 1434 CG2 ILE A 209 -6.255 -2.206 -9.507 1.00 -0.32 C \nATOM 1435 CD1 ILE A 209 -7.387 -2.191 -12.379 1.00 -0.07 C \nATOM 1436 HA ILE A 209 -4.287 -3.940 -10.068 1.00 0.09 H \nATOM 1437 HB ILE A 209 -7.339 -3.913 -10.211 1.00 0.02 H \nATOM 1438 HG12 ILE A 209 -5.307 -2.564 -12.038 1.00 0.02 H \nATOM 1439 HG13 ILE A 209 -6.275 -4.018 -12.455 1.00 0.02 H \nATOM 1440 HD11 ILE A 209 -7.390 -1.249 -11.811 1.00 0.02 H \nATOM 1441 HD12 ILE A 209 -7.232 -1.975 -13.447 1.00 0.02 H \nATOM 1442 HD13 ILE A 209 -8.351 -2.704 -12.244 1.00 0.02 H \nATOM 1443 HG21 ILE A 209 -5.268 -1.741 -9.644 1.00 0.09 H \nATOM 1444 HG22 ILE A 209 -7.040 -1.488 -9.787 1.00 0.09 H \nATOM 1445 HG23 ILE A 209 -6.382 -2.495 -8.453 1.00 0.09 H \nATOM 1446 H ILE A 209 -6.115 -5.901 -11.319 1.00 0.27 H \nATOM 1447 N LEU A 210 -4.442 -4.992 -7.793 1.00 -0.42 N \nATOM 1448 CA LEU A 210 -4.531 -5.589 -6.463 1.00 -0.05 C \nATOM 1449 C LEU A 210 -4.372 -4.599 -5.323 1.00 0.60 C \nATOM 1450 O LEU A 210 -3.657 -3.589 -5.428 1.00 -0.57 O \nATOM 1451 CB LEU A 210 -3.488 -6.697 -6.299 1.00 -0.11 C \nATOM 1452 CG LEU A 210 -3.697 -7.964 -7.128 1.00 0.35 C \nATOM 1453 CD1 LEU A 210 -2.400 -8.730 -7.253 1.00 -0.41 C \nATOM 1454 CD2 LEU A 210 -4.786 -8.831 -6.516 1.00 -0.41 C \nATOM 1455 HA LEU A 210 -5.531 -6.039 -6.375 1.00 0.09 H \nATOM 1456 HB2 LEU A 210 -2.509 -6.277 -6.573 1.00 0.05 H \nATOM 1457 HB3 LEU A 210 -3.477 -6.990 -5.239 1.00 0.05 H \nATOM 1458 HG LEU A 210 -4.021 -7.668 -8.137 1.00 -0.04 H \nATOM 1459 HD21 LEU A 210 -5.727 -8.263 -6.475 1.00 0.10 H \nATOM 1460 HD22 LEU A 210 -4.928 -9.731 -7.132 1.00 0.10 H \nATOM 1461 HD23 LEU A 210 -4.491 -9.126 -5.498 1.00 0.10 H \nATOM 1462 HD11 LEU A 210 -2.037 -9.003 -6.251 1.00 0.10 H \nATOM 1463 HD12 LEU A 210 -2.569 -9.643 -7.843 1.00 0.10 H \nATOM 1464 HD13 LEU A 210 -1.650 -8.102 -7.756 1.00 0.10 H \nATOM 1465 H LEU A 210 -3.568 -4.623 -8.108 1.00 0.27 H \nATOM 1466 N GLU A 211 -5.044 -4.913 -4.223 1.00 -0.52 N \nATOM 1467 CA GLU A 211 -4.807 -4.230 -2.966 1.00 0.04 C \nATOM 1468 C GLU A 211 -3.314 -4.291 -2.620 1.00 0.54 C \nATOM 1469 O GLU A 211 -2.674 -5.341 -2.738 1.00 -0.58 O \nATOM 1470 CB GLU A 211 -5.648 -4.872 -1.853 1.00 0.06 C \nATOM 1471 CG GLU A 211 -5.293 -4.384 -0.452 1.00 0.01 C \nATOM 1472 CD GLU A 211 -6.183 -4.981 0.634 1.00 0.81 C \nATOM 1473 OE1 GLU A 211 -6.172 -4.450 1.768 1.00 -0.82 O \nATOM 1474 OE2 GLU A 211 -6.888 -5.978 0.360 1.00 -0.82 O \nATOM 1475 HA GLU A 211 -5.104 -3.176 -3.070 1.00 0.11 H \nATOM 1476 HB2 GLU A 211 -6.707 -4.642 -2.042 1.00 -0.02 H \nATOM 1477 HB3 GLU A 211 -5.497 -5.961 -1.889 1.00 -0.02 H \nATOM 1478 HG2 GLU A 211 -4.249 -4.659 -0.240 1.00 -0.04 H \nATOM 1479 HG3 GLU A 211 -5.396 -3.289 -0.426 1.00 -0.04 H \nATOM 1480 H GLU A 211 -5.731 -5.639 -4.262 1.00 0.29 H \nATOM 1481 N TYR A 212 -2.763 -3.153 -2.211 1.00 -0.42 N \nATOM 1482 CA TYR A 212 -1.390 -3.079 -1.722 1.00 -0.00 C \nATOM 1483 C TYR A 212 -1.352 -3.311 -0.212 1.00 0.60 C \nATOM 1484 O TYR A 212 -2.108 -2.691 0.537 1.00 -0.57 O \nATOM 1485 CB TYR A 212 -0.810 -1.702 -2.036 1.00 -0.02 C \nATOM 1486 CG TYR A 212 0.618 -1.497 -1.584 1.00 -0.00 C \nATOM 1487 CD1 TYR A 212 0.954 -0.462 -0.716 1.00 -0.19 C \nATOM 1488 CD2 TYR A 212 1.633 -2.322 -2.039 1.00 -0.19 C \nATOM 1489 CE1 TYR A 212 2.268 -0.261 -0.319 1.00 -0.23 C \nATOM 1490 CE2 TYR A 212 2.952 -2.131 -1.644 1.00 -0.23 C \nATOM 1491 CZ TYR A 212 3.262 -1.108 -0.788 1.00 0.32 C \nATOM 1492 OH TYR A 212 4.570 -0.928 -0.403 1.00 -0.56 O \nATOM 1493 HA TYR A 212 -0.787 -3.851 -2.222 1.00 0.09 H \nATOM 1494 HB3 TYR A 212 -0.849 -1.555 -3.125 1.00 0.03 H \nATOM 1495 HB2 TYR A 212 -1.437 -0.946 -1.541 1.00 0.03 H \nATOM 1496 HD2 TYR A 212 1.394 -3.133 -2.717 1.00 0.17 H \nATOM 1497 HE2 TYR A 212 3.731 -2.789 -2.012 1.00 0.17 H \nATOM 1498 HE1 TYR A 212 2.517 0.552 0.353 1.00 0.17 H \nATOM 1499 HD1 TYR A 212 0.177 0.197 -0.345 1.00 0.17 H \nATOM 1500 HH TYR A 212 4.627 -0.186 0.188 1.00 0.40 H \nATOM 1501 H TYR A 212 -3.310 -2.316 -2.239 1.00 0.27 H \nATOM 1502 N ALA A 213 -0.487 -4.210 0.238 1.00 -0.42 N \nATOM 1503 CA ALA A 213 -0.285 -4.395 1.678 1.00 0.03 C \nATOM 1504 C ALA A 213 0.959 -3.619 2.097 1.00 0.60 C \nATOM 1505 O ALA A 213 2.078 -4.038 1.807 1.00 -0.57 O \nATOM 1506 CB ALA A 213 -0.149 -5.863 2.019 1.00 -0.18 C \nATOM 1507 HA ALA A 213 -1.155 -3.991 2.216 1.00 0.08 H \nATOM 1508 HB1 ALA A 213 0.001 -5.975 3.103 1.00 0.06 H \nATOM 1509 HB2 ALA A 213 -1.063 -6.395 1.719 1.00 0.06 H \nATOM 1510 HB3 ALA A 213 0.714 -6.285 1.483 1.00 0.06 H \nATOM 1511 H ALA A 213 0.032 -4.767 -0.411 1.00 0.27 H \nATOM 1512 N PRO A 214 0.762 -2.484 2.787 1.00 -0.25 N \nATOM 1513 CA PRO A 214 1.823 -1.500 3.035 1.00 -0.03 C \nATOM 1514 C PRO A 214 2.910 -1.996 3.979 1.00 0.59 C \nATOM 1515 O PRO A 214 3.936 -1.333 4.105 1.00 -0.57 O \nATOM 1516 CB PRO A 214 1.085 -0.332 3.689 1.00 -0.01 C \nATOM 1517 CG PRO A 214 -0.376 -0.619 3.520 1.00 0.02 C \nATOM 1518 CD PRO A 214 -0.502 -2.100 3.429 1.00 0.02 C \nATOM 1519 HA PRO A 214 2.285 -1.194 2.085 1.00 0.06 H \nATOM 1520 HD3 PRO A 214 -1.366 -2.389 2.812 1.00 0.04 H \nATOM 1521 HD2 PRO A 214 -0.596 -2.554 4.427 1.00 0.04 H \nATOM 1522 HG3 PRO A 214 -0.753 -0.147 2.601 1.00 0.02 H \nATOM 1523 HG2 PRO A 214 -0.941 -0.241 4.385 1.00 0.02 H \nATOM 1524 HB2 PRO A 214 1.341 -0.268 4.757 1.00 0.03 H \nATOM 1525 HB3 PRO A 214 1.349 0.613 3.192 1.00 0.03 H \nATOM 1526 N ARG A 215 2.699 -3.128 4.639 1.00 -0.35 N \nATOM 1527 CA ARG A 215 3.688 -3.593 5.608 1.00 -0.26 C \nATOM 1528 C ARG A 215 4.404 -4.850 5.161 1.00 0.73 C \nATOM 1529 O ARG A 215 5.172 -5.430 5.914 1.00 -0.59 O \nATOM 1530 CB ARG A 215 3.069 -3.794 6.982 1.00 -0.00 C \nATOM 1531 CG ARG A 215 2.673 -2.502 7.638 1.00 0.04 C \nATOM 1532 CD ARG A 215 2.314 -2.718 9.098 1.00 0.05 C \nATOM 1533 NE ARG A 215 1.647 -1.541 9.631 1.00 -0.53 N \nATOM 1534 CZ ARG A 215 1.342 -1.373 10.911 1.00 0.81 C \nATOM 1535 NH1 ARG A 215 1.649 -2.314 11.803 1.00 -0.86 N \nATOM 1536 NH2 ARG A 215 0.731 -0.261 11.301 1.00 -0.86 N \nATOM 1537 HA ARG A 215 4.446 -2.801 5.699 1.00 0.16 H \nATOM 1538 HB2 ARG A 215 2.173 -4.423 6.875 1.00 0.03 H \nATOM 1539 HB3 ARG A 215 3.800 -4.305 7.625 1.00 0.03 H \nATOM 1540 HG2 ARG A 215 3.513 -1.795 7.575 1.00 0.03 H \nATOM 1541 HG3 ARG A 215 1.802 -2.084 7.112 1.00 0.03 H \nATOM 1542 HD2 ARG A 215 1.643 -3.585 9.183 1.00 0.07 H \nATOM 1543 HD3 ARG A 215 3.232 -2.907 9.674 1.00 0.07 H \nATOM 1544 HE ARG A 215 1.395 -0.790 8.973 1.00 0.35 H \nATOM 1545 HH12 ARG A 215 1.410 -2.180 12.796 1.00 0.45 H \nATOM 1546 HH11 ARG A 215 2.125 -3.176 11.500 1.00 0.45 H \nATOM 1547 HH22 ARG A 215 0.492 -0.126 12.294 1.00 0.45 H \nATOM 1548 HH21 ARG A 215 0.496 0.467 10.611 1.00 0.45 H \nATOM 1549 H ARG A 215 1.868 -3.659 4.474 1.00 0.27 H \nATOM 1550 N GLY A 216 4.137 -5.271 3.935 1.00 -0.42 N \nATOM 1551 CA GLY A 216 4.977 -6.256 3.296 1.00 -0.03 C \nATOM 1552 C GLY A 216 4.749 -7.689 3.711 1.00 0.60 C \nATOM 1553 O GLY A 216 3.647 -8.081 4.094 1.00 -0.57 O \nATOM 1554 HA3 GLY A 216 4.809 -6.189 2.211 1.00 0.07 H \nATOM 1555 HA2 GLY A 216 6.024 -6.003 3.521 1.00 0.07 H \nATOM 1556 H GLY A 216 3.346 -4.903 3.447 1.00 0.27 H \nATOM 1557 N GLU A 217 5.815 -8.470 3.632 1.00 -0.52 N \nATOM 1558 CA GLU A 217 5.714 -9.916 3.723 1.00 0.04 C \nATOM 1559 C GLU A 217 5.868 -10.444 5.143 1.00 0.54 C \nATOM 1560 O GLU A 217 6.830 -10.125 5.831 1.00 -0.58 O \nATOM 1561 CB GLU A 217 6.757 -10.550 2.807 1.00 0.06 C \nATOM 1562 CG GLU A 217 6.432 -10.385 1.336 1.00 0.01 C \nATOM 1563 CD GLU A 217 7.621 -9.909 0.532 1.00 0.81 C \nATOM 1564 OE1 GLU A 217 7.903 -10.501 -0.531 1.00 -0.82 O \nATOM 1565 OE2 GLU A 217 8.276 -8.942 0.972 1.00 -0.82 O \nATOM 1566 HA GLU A 217 4.715 -10.207 3.366 1.00 0.11 H \nATOM 1567 HB2 GLU A 217 7.731 -10.079 3.006 1.00 -0.02 H \nATOM 1568 HB3 GLU A 217 6.816 -11.625 3.034 1.00 -0.02 H \nATOM 1569 HG2 GLU A 217 6.101 -11.355 0.937 1.00 -0.04 H \nATOM 1570 HG3 GLU A 217 5.620 -9.650 1.234 1.00 -0.04 H \nATOM 1571 H GLU A 217 6.715 -8.053 3.506 1.00 0.29 H \nATOM 1572 N VAL A 218 4.913 -11.264 5.564 1.00 -0.42 N \nATOM 1573 CA VAL A 218 4.984 -11.939 6.853 1.00 -0.09 C \nATOM 1574 C VAL A 218 6.240 -12.785 6.979 1.00 0.60 C \nATOM 1575 O VAL A 218 6.899 -12.769 8.019 1.00 -0.57 O \nATOM 1576 CB VAL A 218 3.780 -12.861 7.069 1.00 0.30 C \nATOM 1577 CG1 VAL A 218 4.006 -13.737 8.279 1.00 -0.32 C \nATOM 1578 CG2 VAL A 218 2.510 -12.043 7.221 1.00 -0.32 C \nATOM 1579 HA VAL A 218 4.992 -11.172 7.641 1.00 0.10 H \nATOM 1580 HB VAL A 218 3.672 -13.508 6.186 1.00 -0.03 H \nATOM 1581 HG11 VAL A 218 4.151 -13.105 9.168 1.00 0.08 H \nATOM 1582 HG12 VAL A 218 3.131 -14.387 8.430 1.00 0.08 H \nATOM 1583 HG13 VAL A 218 4.901 -14.357 8.121 1.00 0.08 H \nATOM 1584 HG21 VAL A 218 2.352 -11.439 6.315 1.00 0.08 H \nATOM 1585 HG22 VAL A 218 1.654 -12.718 7.365 1.00 0.08 H \nATOM 1586 HG23 VAL A 218 2.604 -11.379 8.093 1.00 0.08 H \nATOM 1587 H VAL A 218 4.119 -11.424 4.977 1.00 0.27 H \nATOM 1588 N TYR A 219 6.576 -13.523 5.922 1.00 -0.42 N \nATOM 1589 CA TYR A 219 7.732 -14.415 5.977 1.00 -0.00 C \nATOM 1590 C TYR A 219 9.007 -13.678 6.402 1.00 0.60 C \nATOM 1591 O TYR A 219 9.849 -14.242 7.094 1.00 -0.57 O \nATOM 1592 CB TYR A 219 7.933 -15.170 4.650 1.00 -0.02 C \nATOM 1593 CG TYR A 219 8.840 -14.485 3.642 1.00 -0.00 C \nATOM 1594 CD1 TYR A 219 10.226 -14.550 3.766 1.00 -0.19 C \nATOM 1595 CD2 TYR A 219 8.311 -13.795 2.551 1.00 -0.19 C \nATOM 1596 CE1 TYR A 219 11.066 -13.930 2.841 1.00 -0.23 C \nATOM 1597 CE2 TYR A 219 9.139 -13.175 1.616 1.00 -0.23 C \nATOM 1598 CZ TYR A 219 10.517 -13.245 1.766 1.00 0.32 C \nATOM 1599 OH TYR A 219 11.347 -12.629 0.846 1.00 -0.56 O \nATOM 1600 HA TYR A 219 7.521 -15.169 6.750 1.00 0.09 H \nATOM 1601 HB3 TYR A 219 8.365 -16.155 4.882 1.00 0.03 H \nATOM 1602 HB2 TYR A 219 6.946 -15.304 4.183 1.00 0.03 H \nATOM 1603 HD2 TYR A 219 7.235 -13.740 2.428 1.00 0.17 H \nATOM 1604 HE2 TYR A 219 8.709 -12.641 0.776 1.00 0.17 H \nATOM 1605 HE1 TYR A 219 12.142 -13.983 2.961 1.00 0.17 H \nATOM 1606 HD1 TYR A 219 10.660 -15.093 4.598 1.00 0.17 H \nATOM 1607 HH TYR A 219 12.253 -12.772 1.092 1.00 0.40 H \nATOM 1608 H TYR A 219 6.033 -13.466 5.084 1.00 0.27 H \nATOM 1609 N LYS A 220 9.147 -12.420 5.994 1.00 -0.35 N \nATOM 1610 CA LYS A 220 10.337 -11.660 6.346 1.00 -0.24 C \nATOM 1611 C LYS A 220 10.296 -11.305 7.818 1.00 0.73 C \nATOM 1612 O LYS A 220 11.313 -11.334 8.510 1.00 -0.59 O \nATOM 1613 CB LYS A 220 10.465 -10.395 5.490 1.00 -0.01 C \nATOM 1614 CG LYS A 220 10.947 -10.664 4.075 1.00 0.02 C \nATOM 1615 CD LYS A 220 11.305 -9.382 3.342 1.00 -0.05 C \nATOM 1616 CE LYS A 220 11.668 -9.677 1.893 1.00 -0.01 C \nATOM 1617 NZ LYS A 220 11.914 -8.438 1.101 1.00 -0.39 N \nATOM 1618 HA LYS A 220 11.219 -12.291 6.162 1.00 0.14 H \nATOM 1619 HB2 LYS A 220 9.479 -9.911 5.435 1.00 0.04 H \nATOM 1620 HB3 LYS A 220 11.180 -9.716 5.978 1.00 0.04 H \nATOM 1621 HG2 LYS A 220 11.838 -11.308 4.120 1.00 0.01 H \nATOM 1622 HG3 LYS A 220 10.149 -11.179 3.520 1.00 0.01 H \nATOM 1623 HD2 LYS A 220 10.443 -8.699 3.367 1.00 0.06 H \nATOM 1624 HD3 LYS A 220 12.163 -8.908 3.840 1.00 0.06 H \nATOM 1625 HE2 LYS A 220 12.579 -10.293 1.876 1.00 0.11 H \nATOM 1626 HE3 LYS A 220 10.841 -10.234 1.429 1.00 0.11 H \nATOM 1627 HZ1 LYS A 220 12.670 -7.917 1.518 1.00 0.34 H \nATOM 1628 HZ2 LYS A 220 12.159 -8.687 0.155 1.00 0.34 H \nATOM 1629 HZ3 LYS A 220 11.080 -7.872 1.094 1.00 0.34 H \nATOM 1630 H LYS A 220 8.430 -11.994 5.442 1.00 0.27 H \nATOM 1631 N GLU A 221 9.105 -10.964 8.291 1.00 -0.52 N \nATOM 1632 CA GLU A 221 8.915 -10.629 9.689 1.00 0.04 C \nATOM 1633 C GLU A 221 9.322 -11.845 10.514 1.00 0.54 C \nATOM 1634 O GLU A 221 10.061 -11.739 11.493 1.00 -0.58 O \nATOM 1635 CB GLU A 221 7.449 -10.268 9.922 1.00 0.06 C \nATOM 1636 CG GLU A 221 7.189 -9.404 11.134 1.00 0.01 C \nATOM 1637 CD GLU A 221 7.859 -8.046 11.045 1.00 0.81 C \nATOM 1638 OE1 GLU A 221 8.608 -7.802 10.072 1.00 -0.82 O \nATOM 1639 OE2 GLU A 221 7.635 -7.223 11.957 1.00 -0.82 O \nATOM 1640 HA GLU A 221 9.548 -9.771 9.960 1.00 0.11 H \nATOM 1641 HB2 GLU A 221 7.085 -9.730 9.035 1.00 -0.02 H \nATOM 1642 HB3 GLU A 221 6.882 -11.203 10.042 1.00 -0.02 H \nATOM 1643 HG2 GLU A 221 6.104 -9.254 11.232 1.00 -0.04 H \nATOM 1644 HG3 GLU A 221 7.569 -9.925 12.025 1.00 -0.04 H \nATOM 1645 H GLU A 221 8.321 -10.937 7.670 1.00 0.29 H \nATOM 1646 N LEU A 222 8.857 -13.010 10.076 1.00 -0.42 N \nATOM 1647 CA LEU A 222 9.147 -14.263 10.744 1.00 -0.05 C \nATOM 1648 C LEU A 222 10.646 -14.556 10.844 1.00 0.60 C \nATOM 1649 O LEU A 222 11.096 -15.086 11.855 1.00 -0.57 O \nATOM 1650 CB LEU A 222 8.405 -15.417 10.064 1.00 -0.11 C \nATOM 1651 CG LEU A 222 8.420 -16.777 10.758 1.00 0.35 C \nATOM 1652 CD1 LEU A 222 7.965 -16.660 12.209 1.00 -0.41 C \nATOM 1653 CD2 LEU A 222 7.545 -17.751 9.986 1.00 -0.41 C \nATOM 1654 HA LEU A 222 8.764 -14.181 11.772 1.00 0.09 H \nATOM 1655 HB2 LEU A 222 7.353 -15.114 9.958 1.00 0.05 H \nATOM 1656 HB3 LEU A 222 8.850 -15.552 9.067 1.00 0.05 H \nATOM 1657 HG LEU A 222 9.452 -17.158 10.753 1.00 -0.04 H \nATOM 1658 HD21 LEU A 222 7.925 -17.851 8.959 1.00 0.10 H \nATOM 1659 HD22 LEU A 222 7.565 -18.733 10.481 1.00 0.10 H \nATOM 1660 HD23 LEU A 222 6.512 -17.374 9.960 1.00 0.10 H \nATOM 1661 HD11 LEU A 222 6.944 -16.251 12.241 1.00 0.10 H \nATOM 1662 HD12 LEU A 222 7.977 -17.655 12.678 1.00 0.10 H \nATOM 1663 HD13 LEU A 222 8.646 -15.990 12.754 1.00 0.10 H \nATOM 1664 H LEU A 222 8.286 -13.023 9.255 1.00 0.27 H \nATOM 1665 N GLN A 223 11.429 -14.229 9.821 1.00 -0.42 N \nATOM 1666 CA GLN A 223 12.874 -14.407 9.970 1.00 -0.00 C \nATOM 1667 C GLN A 223 13.553 -13.279 10.735 1.00 0.60 C \nATOM 1668 O GLN A 223 14.520 -13.515 11.452 1.00 -0.57 O \nATOM 1669 CB GLN A 223 13.593 -14.684 8.652 1.00 -0.00 C \nATOM 1670 CG GLN A 223 12.859 -14.304 7.401 1.00 -0.06 C \nATOM 1671 CD GLN A 223 13.406 -15.055 6.198 1.00 0.70 C \nATOM 1672 OE1 GLN A 223 13.711 -14.463 5.161 1.00 -0.61 O \nATOM 1673 NE2 GLN A 223 13.554 -16.368 6.344 1.00 -0.94 N \nATOM 1674 HA GLN A 223 13.000 -15.311 10.583 1.00 0.09 H \nATOM 1675 HB2 GLN A 223 14.542 -14.129 8.665 1.00 0.02 H \nATOM 1676 HB3 GLN A 223 13.800 -15.763 8.604 1.00 0.02 H \nATOM 1677 HG2 GLN A 223 11.793 -14.546 7.522 1.00 0.04 H \nATOM 1678 HG3 GLN A 223 12.972 -13.223 7.232 1.00 0.04 H \nATOM 1679 HE22 GLN A 223 13.910 -16.918 5.588 1.00 0.43 H \nATOM 1680 HE21 GLN A 223 13.310 -16.806 7.209 1.00 0.43 H \nATOM 1681 H GLN A 223 11.041 -13.871 8.972 1.00 0.27 H \nATOM 1682 N LYS A 224 13.046 -12.060 10.603 1.00 -0.35 N \nATOM 1683 CA LYS A 224 13.574 -10.978 11.414 1.00 -0.24 C \nATOM 1684 C LYS A 224 13.461 -11.348 12.901 1.00 0.73 C \nATOM 1685 O LYS A 224 14.436 -11.255 13.639 1.00 -0.59 O \nATOM 1686 CB LYS A 224 12.874 -9.650 11.111 1.00 -0.01 C \nATOM 1687 CG LYS A 224 13.663 -8.425 11.575 1.00 0.02 C \nATOM 1688 CD LYS A 224 12.946 -7.110 11.268 1.00 -0.05 C \nATOM 1689 CE LYS A 224 11.880 -6.786 12.311 1.00 -0.01 C \nATOM 1690 NZ LYS A 224 11.002 -5.646 11.897 1.00 -0.39 N \nATOM 1691 HA LYS A 224 14.640 -10.858 11.171 1.00 0.14 H \nATOM 1692 HB2 LYS A 224 12.723 -9.576 10.024 1.00 0.04 H \nATOM 1693 HB3 LYS A 224 11.898 -9.648 11.617 1.00 0.04 H \nATOM 1694 HG2 LYS A 224 13.817 -8.496 12.662 1.00 0.01 H \nATOM 1695 HG3 LYS A 224 14.638 -8.421 11.066 1.00 0.01 H \nATOM 1696 HD2 LYS A 224 13.686 -6.297 11.252 1.00 0.06 H \nATOM 1697 HD3 LYS A 224 12.466 -7.189 10.281 1.00 0.06 H \nATOM 1698 HE2 LYS A 224 11.253 -7.677 12.464 1.00 0.11 H \nATOM 1699 HE3 LYS A 224 12.379 -6.522 13.255 1.00 0.11 H \nATOM 1700 HZ1 LYS A 224 10.540 -5.875 11.031 1.00 0.34 H \nATOM 1701 HZ2 LYS A 224 10.311 -5.477 12.611 1.00 0.34 H \nATOM 1702 HZ3 LYS A 224 11.563 -4.818 11.770 1.00 0.34 H \nATOM 1703 H LYS A 224 12.307 -11.888 9.951 1.00 0.27 H \nATOM 1704 N LEU A 225 12.284 -11.799 13.327 1.00 -0.42 N \nATOM 1705 CA LEU A 225 12.056 -12.133 14.737 1.00 -0.05 C \nATOM 1706 C LEU A 225 12.392 -13.582 15.101 1.00 0.60 C \nATOM 1707 O LEU A 225 12.546 -13.900 16.283 1.00 -0.57 O \nATOM 1708 CB LEU A 225 10.610 -11.835 15.140 1.00 -0.11 C \nATOM 1709 CG LEU A 225 10.117 -10.413 14.871 1.00 0.35 C \nATOM 1710 CD1 LEU A 225 8.726 -10.194 15.457 1.00 -0.41 C \nATOM 1711 CD2 LEU A 225 11.104 -9.416 15.444 1.00 -0.41 C \nATOM 1712 HA LEU A 225 12.715 -11.484 15.332 1.00 0.09 H \nATOM 1713 HB2 LEU A 225 9.958 -12.527 14.588 1.00 0.05 H \nATOM 1714 HB3 LEU A 225 10.516 -12.025 16.219 1.00 0.05 H \nATOM 1715 HG LEU A 225 10.060 -10.263 13.783 1.00 -0.04 H \nATOM 1716 HD21 LEU A 225 12.089 -9.565 14.977 1.00 0.10 H \nATOM 1717 HD22 LEU A 225 10.753 -8.394 15.240 1.00 0.10 H \nATOM 1718 HD23 LEU A 225 11.187 -9.565 16.531 1.00 0.10 H \nATOM 1719 HD11 LEU A 225 8.754 -10.366 16.543 1.00 0.10 H \nATOM 1720 HD12 LEU A 225 8.402 -9.162 15.257 1.00 0.10 H \nATOM 1721 HD13 LEU A 225 8.018 -10.896 14.993 1.00 0.10 H \nATOM 1722 H LEU A 225 11.538 -11.913 12.671 1.00 0.27 H \nATOM 1723 N SER A 226 12.502 -14.448 14.093 1.00 -0.42 N \nATOM 1724 CA SER A 226 12.706 -15.891 14.304 1.00 -0.02 C \nATOM 1725 C SER A 226 11.408 -16.635 14.645 1.00 0.60 C \nATOM 1726 O SER A 226 11.141 -17.706 14.108 1.00 -0.57 O \nATOM 1727 CB SER A 226 13.771 -16.160 15.374 1.00 0.21 C \nATOM 1728 OG SER A 226 15.069 -15.874 14.870 1.00 -0.65 O \nATOM 1729 HA SER A 226 13.079 -16.305 13.355 1.00 0.08 H \nATOM 1730 HB2 SER A 226 13.574 -15.523 16.249 1.00 0.04 H \nATOM 1731 HB3 SER A 226 13.724 -17.218 15.673 1.00 0.04 H \nATOM 1732 HG SER A 226 15.716 -16.046 15.545 1.00 0.43 H \nATOM 1733 H SER A 226 12.444 -14.104 13.156 1.00 0.27 H \nATOM 1734 N LYS A 227 10.611 -16.066 15.543 1.00 -0.35 N \nATOM 1735 CA LYS A 227 9.292 -16.598 15.831 1.00 -0.24 C \nATOM 1736 C LYS A 227 8.458 -15.528 16.494 1.00 0.73 C \nATOM 1737 O LYS A 227 8.987 -14.546 17.005 1.00 -0.59 O \nATOM 1738 CB LYS A 227 9.380 -17.836 16.724 1.00 -0.01 C \nATOM 1739 CG LYS A 227 10.041 -17.595 18.069 1.00 0.02 C \nATOM 1740 CD LYS A 227 10.436 -18.918 18.716 1.00 -0.05 C \nATOM 1741 CE LYS A 227 10.966 -18.720 20.121 1.00 -0.01 C \nATOM 1742 NZ LYS A 227 12.183 -17.854 20.128 1.00 -0.39 N \nATOM 1743 HA LYS A 227 8.813 -16.885 14.883 1.00 0.14 H \nATOM 1744 HB2 LYS A 227 8.359 -18.204 16.904 1.00 0.04 H \nATOM 1745 HB3 LYS A 227 9.958 -18.605 16.190 1.00 0.04 H \nATOM 1746 HG2 LYS A 227 10.941 -16.980 17.925 1.00 0.01 H \nATOM 1747 HG3 LYS A 227 9.337 -17.066 18.728 1.00 0.01 H \nATOM 1748 HD2 LYS A 227 9.553 -19.572 18.757 1.00 0.06 H \nATOM 1749 HD3 LYS A 227 11.217 -19.394 18.105 1.00 0.06 H \nATOM 1750 HE2 LYS A 227 10.186 -18.246 20.734 1.00 0.11 H \nATOM 1751 HE3 LYS A 227 11.222 -19.701 20.548 1.00 0.11 H \nATOM 1752 HZ1 LYS A 227 11.957 -16.954 19.733 1.00 0.34 H \nATOM 1753 HZ2 LYS A 227 12.505 -17.734 21.076 1.00 0.34 H \nATOM 1754 HZ3 LYS A 227 12.908 -18.289 19.580 1.00 0.34 H \nATOM 1755 H LYS A 227 10.927 -15.253 16.031 1.00 0.27 H \nATOM 1756 N PHE A 228 7.148 -15.723 16.491 1.00 -0.42 N \nATOM 1757 CA PHE A 228 6.236 -14.723 17.023 1.00 -0.00 C \nATOM 1758 C PHE A 228 5.737 -15.079 18.419 1.00 0.60 C \nATOM 1759 O PHE A 228 5.567 -16.252 18.744 1.00 -0.57 O \nATOM 1760 CB PHE A 228 5.046 -14.554 16.084 1.00 -0.03 C \nATOM 1761 CG PHE A 228 5.414 -14.067 14.720 1.00 0.01 C \nATOM 1762 CD1 PHE A 228 6.422 -13.131 14.552 1.00 -0.13 C \nATOM 1763 CD2 PHE A 228 4.723 -14.516 13.601 1.00 -0.13 C \nATOM 1764 CE1 PHE A 228 6.755 -12.663 13.285 1.00 -0.17 C \nATOM 1765 CE2 PHE A 228 5.045 -14.048 12.337 1.00 -0.17 C \nATOM 1766 CZ PHE A 228 6.066 -13.119 12.181 1.00 -0.11 C \nATOM 1767 HA PHE A 228 6.775 -13.766 17.084 1.00 0.10 H \nATOM 1768 HB2 PHE A 228 4.546 -15.528 15.980 1.00 0.03 H \nATOM 1769 HB3 PHE A 228 4.350 -13.830 16.534 1.00 0.03 H \nATOM 1770 HD2 PHE A 228 3.924 -15.239 13.718 1.00 0.13 H \nATOM 1771 HE2 PHE A 228 4.501 -14.406 11.471 1.00 0.14 H \nATOM 1772 HZ PHE A 228 6.321 -12.753 11.193 1.00 0.13 H \nATOM 1773 HE1 PHE A 228 7.555 -11.941 13.166 1.00 0.14 H \nATOM 1774 HD1 PHE A 228 6.957 -12.759 15.418 1.00 0.13 H \nATOM 1775 H PHE A 228 6.779 -16.574 16.116 1.00 0.27 H \nATOM 1776 N ASP A 229 5.485 -14.065 19.242 1.00 -0.52 N \nATOM 1777 CA ASP A 229 4.948 -14.322 20.574 1.00 0.04 C \nATOM 1778 C ASP A 229 3.476 -14.736 20.496 1.00 0.54 C \nATOM 1779 O ASP A 229 2.876 -14.729 19.412 1.00 -0.58 O \nATOM 1780 CB ASP A 229 5.184 -13.136 21.527 1.00 -0.03 C \nATOM 1781 CG ASP A 229 4.349 -11.906 21.185 1.00 0.80 C \nATOM 1782 OD1 ASP A 229 3.230 -12.036 20.635 1.00 -0.80 O \nATOM 1783 OD2 ASP A 229 4.812 -10.789 21.506 1.00 -0.80 O \nATOM 1784 HA ASP A 229 5.501 -15.178 20.988 1.00 0.09 H \nATOM 1785 HB2 ASP A 229 4.932 -13.455 22.549 1.00 -0.01 H \nATOM 1786 HB3 ASP A 229 6.247 -12.859 21.481 1.00 -0.01 H \nATOM 1787 H ASP A 229 5.664 -13.126 18.948 1.00 0.29 H \nATOM 1788 N GLU A 230 2.906 -15.100 21.639 1.00 -0.52 N \nATOM 1789 CA GLU A 230 1.554 -15.645 21.690 1.00 0.04 C \nATOM 1790 C GLU A 230 0.474 -14.629 21.300 1.00 0.54 C \nATOM 1791 O GLU A 230 -0.532 -14.988 20.679 1.00 -0.58 O \nATOM 1792 CB GLU A 230 1.254 -16.250 23.071 1.00 0.06 C \nATOM 1793 CG GLU A 230 2.197 -17.385 23.461 1.00 0.01 C \nATOM 1794 CD GLU A 230 1.593 -18.329 24.501 1.00 0.81 C \nATOM 1795 OE1 GLU A 230 1.528 -19.547 24.229 1.00 -0.82 O \nATOM 1796 OE2 GLU A 230 1.175 -17.855 25.581 1.00 -0.82 O \nATOM 1797 HA GLU A 230 1.509 -16.462 20.954 1.00 0.11 H \nATOM 1798 HB2 GLU A 230 1.338 -15.454 23.825 1.00 -0.02 H \nATOM 1799 HB3 GLU A 230 0.226 -16.640 23.063 1.00 -0.02 H \nATOM 1800 HG2 GLU A 230 2.440 -17.966 22.559 1.00 -0.04 H \nATOM 1801 HG3 GLU A 230 3.118 -16.949 23.875 1.00 -0.04 H \nATOM 1802 H GLU A 230 3.420 -14.997 22.491 1.00 0.29 H \nATOM 1803 N GLN A 231 0.662 -13.370 21.670 1.00 -0.42 N \nATOM 1804 CA GLN A 231 -0.325 -12.358 21.314 1.00 -0.00 C \nATOM 1805 C GLN A 231 -0.379 -12.167 19.800 1.00 0.60 C \nATOM 1806 O GLN A 231 -1.458 -12.106 19.207 1.00 -0.57 O \nATOM 1807 CB GLN A 231 -0.016 -11.022 21.991 1.00 -0.00 C \nATOM 1808 CG GLN A 231 -1.003 -9.918 21.643 1.00 -0.06 C \nATOM 1809 CD GLN A 231 -0.615 -8.579 22.252 1.00 0.70 C \nATOM 1810 OE1 GLN A 231 0.476 -8.056 22.006 1.00 -0.61 O \nATOM 1811 NE2 GLN A 231 -1.511 -8.016 23.047 1.00 -0.94 N \nATOM 1812 HA GLN A 231 -1.311 -12.703 21.658 1.00 0.09 H \nATOM 1813 HB2 GLN A 231 -0.033 -11.172 23.081 1.00 0.02 H \nATOM 1814 HB3 GLN A 231 0.989 -10.700 21.681 1.00 0.02 H \nATOM 1815 HG2 GLN A 231 -1.041 -9.811 20.549 1.00 0.04 H \nATOM 1816 HG3 GLN A 231 -1.997 -10.202 22.019 1.00 0.04 H \nATOM 1817 HE22 GLN A 231 -1.314 -7.135 23.477 1.00 0.43 H \nATOM 1818 HE21 GLN A 231 -2.385 -8.472 23.217 1.00 0.43 H \nATOM 1819 H GLN A 231 1.477 -13.116 22.191 1.00 0.27 H \nATOM 1820 N ARG A 232 0.792 -12.067 19.179 1.00 -0.35 N \nATOM 1821 CA ARG A 232 0.852 -11.833 17.755 1.00 -0.26 C \nATOM 1822 C ARG A 232 0.276 -13.041 17.018 1.00 0.73 C \nATOM 1823 O ARG A 232 -0.542 -12.892 16.105 1.00 -0.59 O \nATOM 1824 CB ARG A 232 2.281 -11.545 17.282 1.00 -0.00 C \nATOM 1825 CG ARG A 232 2.302 -10.924 15.891 1.00 0.04 C \nATOM 1826 CD ARG A 232 3.588 -11.176 15.159 1.00 0.05 C \nATOM 1827 NE ARG A 232 4.542 -10.086 15.314 1.00 -0.53 N \nATOM 1828 CZ ARG A 232 5.001 -9.332 14.317 1.00 0.81 C \nATOM 1829 NH1 ARG A 232 4.600 -9.535 13.066 1.00 -0.86 N \nATOM 1830 NH2 ARG A 232 5.881 -8.374 14.574 1.00 -0.86 N \nATOM 1831 HA ARG A 232 0.233 -10.954 17.523 1.00 0.16 H \nATOM 1832 HB2 ARG A 232 2.757 -10.850 17.989 1.00 0.03 H \nATOM 1833 HB3 ARG A 232 2.846 -12.489 17.259 1.00 0.03 H \nATOM 1834 HG2 ARG A 232 1.475 -11.349 15.304 1.00 0.03 H \nATOM 1835 HG3 ARG A 232 2.161 -9.838 15.989 1.00 0.03 H \nATOM 1836 HD2 ARG A 232 4.041 -12.099 15.549 1.00 0.07 H \nATOM 1837 HD3 ARG A 232 3.366 -11.301 14.089 1.00 0.07 H \nATOM 1838 HE ARG A 232 4.886 -9.884 16.263 1.00 0.35 H \nATOM 1839 HH12 ARG A 232 4.964 -8.943 12.306 1.00 0.45 H \nATOM 1840 HH11 ARG A 232 3.925 -10.284 12.857 1.00 0.45 H \nATOM 1841 HH22 ARG A 232 6.241 -7.786 13.808 1.00 0.45 H \nATOM 1842 HH21 ARG A 232 6.205 -8.217 15.539 1.00 0.45 H \nATOM 1843 H ARG A 232 1.639 -12.155 19.703 1.00 0.27 H \nATOM 1844 N THR A 233 0.691 -14.234 17.437 1.00 -0.42 N \nATOM 1845 CA THR A 233 0.270 -15.458 16.776 1.00 -0.04 C \nATOM 1846 C THR A 233 -1.233 -15.704 16.874 1.00 0.60 C \nATOM 1847 O THR A 233 -1.883 -16.022 15.878 1.00 -0.57 O \nATOM 1848 CB THR A 233 1.021 -16.660 17.327 1.00 0.37 C \nATOM 1849 OG1 THR A 233 2.428 -16.460 17.137 1.00 -0.68 O \nATOM 1850 CG2 THR A 233 0.579 -17.938 16.602 1.00 -0.24 C \nATOM 1851 HA THR A 233 0.522 -15.358 15.710 1.00 0.10 H \nATOM 1852 HB THR A 233 0.808 -16.761 18.401 1.00 0.00 H \nATOM 1853 HG1 THR A 233 2.903 -17.208 17.479 1.00 0.41 H \nATOM 1854 HG23 THR A 233 -0.167 -18.467 17.213 1.00 0.06 H \nATOM 1855 HG21 THR A 233 0.136 -17.674 15.630 1.00 0.06 H \nATOM 1856 HG22 THR A 233 1.451 -18.589 16.443 1.00 0.06 H \nATOM 1857 H THR A 233 1.306 -14.289 18.224 1.00 0.27 H \nATOM 1858 N ALA A 234 -1.784 -15.539 18.070 1.00 -0.42 N \nATOM 1859 CA ALA A 234 -3.202 -15.791 18.310 1.00 0.03 C \nATOM 1860 C ALA A 234 -4.095 -14.795 17.579 1.00 0.60 C \nATOM 1861 O ALA A 234 -5.192 -15.131 17.129 1.00 -0.57 O \nATOM 1862 CB ALA A 234 -3.502 -15.770 19.821 1.00 -0.18 C \nATOM 1863 HA ALA A 234 -3.435 -16.796 17.928 1.00 0.08 H \nATOM 1864 HB1 ALA A 234 -4.573 -15.961 19.985 1.00 0.06 H \nATOM 1865 HB2 ALA A 234 -2.909 -16.549 20.323 1.00 0.06 H \nATOM 1866 HB3 ALA A 234 -3.238 -14.785 20.234 1.00 0.06 H \nATOM 1867 H ALA A 234 -1.211 -15.233 18.830 1.00 0.27 H \nATOM 1868 N THR A 235 -3.632 -13.557 17.484 1.00 -0.42 N \nATOM 1869 CA THR A 235 -4.351 -12.530 16.742 1.00 -0.04 C \nATOM 1870 C THR A 235 -4.345 -12.876 15.241 1.00 0.60 C \nATOM 1871 O THR A 235 -5.377 -12.784 14.574 1.00 -0.57 O \nATOM 1872 CB THR A 235 -3.741 -11.127 16.991 1.00 0.37 C \nATOM 1873 OG1 THR A 235 -3.705 -10.863 18.400 1.00 -0.68 O \nATOM 1874 CG2 THR A 235 -4.563 -10.054 16.310 1.00 -0.24 C \nATOM 1875 HA THR A 235 -5.394 -12.516 17.091 1.00 0.10 H \nATOM 1876 HB THR A 235 -2.717 -11.105 16.590 1.00 0.00 H \nATOM 1877 HG1 THR A 235 -3.331 -10.003 18.552 1.00 0.41 H \nATOM 1878 HG23 THR A 235 -4.094 -9.785 15.352 1.00 0.06 H \nATOM 1879 HG21 THR A 235 -5.580 -10.432 16.127 1.00 0.06 H \nATOM 1880 HG22 THR A 235 -4.613 -9.165 16.956 1.00 0.06 H \nATOM 1881 H THR A 235 -2.769 -13.322 17.932 1.00 0.27 H \nATOM 1882 N TYR A 236 -3.189 -13.296 14.727 1.00 -0.42 N \nATOM 1883 CA TYR A 236 -3.093 -13.783 13.351 1.00 -0.00 C \nATOM 1884 C TYR A 236 -4.067 -14.940 13.108 1.00 0.60 C \nATOM 1885 O TYR A 236 -4.808 -14.950 12.122 1.00 -0.57 O \nATOM 1886 CB TYR A 236 -1.674 -14.253 13.032 1.00 -0.02 C \nATOM 1887 CG TYR A 236 -0.659 -13.158 12.771 1.00 -0.00 C \nATOM 1888 CD1 TYR A 236 -1.050 -11.852 12.501 1.00 -0.19 C \nATOM 1889 CD2 TYR A 236 0.696 -13.450 12.748 1.00 -0.19 C \nATOM 1890 CE1 TYR A 236 -0.104 -10.854 12.247 1.00 -0.23 C \nATOM 1891 CE2 TYR A 236 1.642 -12.475 12.498 1.00 -0.23 C \nATOM 1892 CZ TYR A 236 1.240 -11.181 12.247 1.00 0.32 C \nATOM 1893 OH TYR A 236 2.198 -10.230 11.997 1.00 -0.56 O \nATOM 1894 HA TYR A 236 -3.351 -12.956 12.673 1.00 0.09 H \nATOM 1895 HB3 TYR A 236 -1.316 -14.849 13.885 1.00 0.03 H \nATOM 1896 HB2 TYR A 236 -1.723 -14.889 12.136 1.00 0.03 H \nATOM 1897 HD2 TYR A 236 1.021 -14.468 12.931 1.00 0.17 H \nATOM 1898 HE2 TYR A 236 2.696 -12.727 12.499 1.00 0.17 H \nATOM 1899 HE1 TYR A 236 -0.420 -9.836 12.052 1.00 0.17 H \nATOM 1900 HD1 TYR A 236 -2.105 -11.603 12.487 1.00 0.17 H \nATOM 1901 HH TYR A 236 1.779 -9.391 11.843 1.00 0.40 H \nATOM 1902 H TYR A 236 -2.367 -13.278 15.296 1.00 0.27 H \nATOM 1903 N ILE A 237 -4.071 -15.914 14.016 1.00 -0.42 N \nATOM 1904 CA ILE A 237 -4.941 -17.074 13.861 1.00 -0.06 C \nATOM 1905 C ILE A 237 -6.408 -16.663 13.850 1.00 0.60 C \nATOM 1906 O ILE A 237 -7.209 -17.203 13.081 1.00 -0.57 O \nATOM 1907 CB ILE A 237 -4.688 -18.152 14.931 1.00 0.13 C \nATOM 1908 CG1 ILE A 237 -3.274 -18.729 14.790 1.00 -0.04 C \nATOM 1909 CG2 ILE A 237 -5.737 -19.255 14.833 1.00 -0.32 C \nATOM 1910 CD1 ILE A 237 -2.941 -19.222 13.402 1.00 -0.07 C \nATOM 1911 HA ILE A 237 -4.714 -17.523 12.883 1.00 0.09 H \nATOM 1912 HB ILE A 237 -4.772 -17.683 15.922 1.00 0.02 H \nATOM 1913 HG12 ILE A 237 -2.553 -17.943 15.059 1.00 0.02 H \nATOM 1914 HG13 ILE A 237 -3.175 -19.573 15.489 1.00 0.02 H \nATOM 1915 HD11 ILE A 237 -3.032 -18.392 12.686 1.00 0.02 H \nATOM 1916 HD12 ILE A 237 -1.911 -19.608 13.387 1.00 0.02 H \nATOM 1917 HD13 ILE A 237 -3.638 -20.026 13.121 1.00 0.02 H \nATOM 1918 HG21 ILE A 237 -5.695 -19.713 13.834 1.00 0.09 H \nATOM 1919 HG22 ILE A 237 -5.536 -20.021 15.596 1.00 0.09 H \nATOM 1920 HG23 ILE A 237 -6.736 -18.826 14.998 1.00 0.09 H \nATOM 1921 H ILE A 237 -3.471 -15.849 14.813 1.00 0.27 H \nATOM 1922 N THR A 238 -6.761 -15.690 14.679 1.00 -0.42 N \nATOM 1923 CA THR A 238 -8.118 -15.166 14.659 1.00 -0.04 C \nATOM 1924 C THR A 238 -8.466 -14.591 13.279 1.00 0.60 C \nATOM 1925 O THR A 238 -9.505 -14.915 12.697 1.00 -0.57 O \nATOM 1926 CB THR A 238 -8.316 -14.095 15.744 1.00 0.37 C \nATOM 1927 OG1 THR A 238 -8.211 -14.706 17.034 1.00 -0.68 O \nATOM 1928 CG2 THR A 238 -9.685 -13.453 15.613 1.00 -0.24 C \nATOM 1929 HA THR A 238 -8.807 -15.998 14.868 1.00 0.10 H \nATOM 1930 HB THR A 238 -7.540 -13.323 15.638 1.00 0.00 H \nATOM 1931 HG1 THR A 238 -8.333 -14.047 17.707 1.00 0.41 H \nATOM 1932 HG23 THR A 238 -9.592 -12.499 15.074 1.00 0.06 H \nATOM 1933 HG21 THR A 238 -10.354 -14.125 15.055 1.00 0.06 H \nATOM 1934 HG22 THR A 238 -10.101 -13.270 16.615 1.00 0.06 H \nATOM 1935 H THR A 238 -6.092 -15.315 15.320 1.00 0.27 H \nATOM 1936 N GLU A 239 -7.583 -13.745 12.763 1.00 -0.52 N \nATOM 1937 CA GLU A 239 -7.775 -13.120 11.460 1.00 0.04 C \nATOM 1938 C GLU A 239 -7.989 -14.174 10.368 1.00 0.54 C \nATOM 1939 O GLU A 239 -8.929 -14.075 9.574 1.00 -0.58 O \nATOM 1940 CB GLU A 239 -6.583 -12.212 11.135 1.00 0.06 C \nATOM 1941 CG GLU A 239 -6.558 -10.927 11.959 1.00 0.01 C \nATOM 1942 CD GLU A 239 -5.178 -10.289 12.046 1.00 0.81 C \nATOM 1943 OE1 GLU A 239 -5.050 -9.237 12.710 1.00 -0.82 O \nATOM 1944 OE2 GLU A 239 -4.218 -10.839 11.464 1.00 -0.82 O \nATOM 1945 HA GLU A 239 -8.679 -12.495 11.509 1.00 0.11 H \nATOM 1946 HB2 GLU A 239 -5.656 -12.770 11.331 1.00 -0.02 H \nATOM 1947 HB3 GLU A 239 -6.630 -11.942 10.070 1.00 -0.02 H \nATOM 1948 HG2 GLU A 239 -7.248 -10.204 11.498 1.00 -0.04 H \nATOM 1949 HG3 GLU A 239 -6.899 -11.160 12.979 1.00 -0.04 H \nATOM 1950 H GLU A 239 -6.758 -13.529 13.286 1.00 0.29 H \nATOM 1951 N LEU A 240 -7.136 -15.197 10.355 1.00 -0.42 N \nATOM 1952 CA LEU A 240 -7.213 -16.256 9.346 1.00 -0.05 C \nATOM 1953 C LEU A 240 -8.468 -17.124 9.474 1.00 0.60 C \nATOM 1954 O LEU A 240 -9.090 -17.478 8.473 1.00 -0.57 O \nATOM 1955 CB LEU A 240 -5.960 -17.128 9.402 1.00 -0.11 C \nATOM 1956 CG LEU A 240 -4.734 -16.441 8.812 1.00 0.35 C \nATOM 1957 CD1 LEU A 240 -3.492 -17.241 9.076 1.00 -0.41 C \nATOM 1958 CD2 LEU A 240 -4.945 -16.248 7.324 1.00 -0.41 C \nATOM 1959 HA LEU A 240 -7.247 -15.770 8.360 1.00 0.09 H \nATOM 1960 HB2 LEU A 240 -5.752 -17.376 10.453 1.00 0.05 H \nATOM 1961 HB3 LEU A 240 -6.150 -18.053 8.837 1.00 0.05 H \nATOM 1962 HG LEU A 240 -4.619 -15.454 9.285 1.00 -0.04 H \nATOM 1963 HD21 LEU A 240 -5.842 -15.633 7.158 1.00 0.10 H \nATOM 1964 HD22 LEU A 240 -4.068 -15.743 6.892 1.00 0.10 H \nATOM 1965 HD23 LEU A 240 -5.078 -17.228 6.842 1.00 0.10 H \nATOM 1966 HD11 LEU A 240 -3.597 -18.240 8.628 1.00 0.10 H \nATOM 1967 HD12 LEU A 240 -2.625 -16.730 8.632 1.00 0.10 H \nATOM 1968 HD13 LEU A 240 -3.343 -17.340 10.161 1.00 0.10 H \nATOM 1969 H LEU A 240 -6.423 -15.243 11.054 1.00 0.27 H \nATOM 1970 N ALA A 241 -8.840 -17.461 10.706 1.00 -0.42 N \nATOM 1971 CA ALA A 241 -10.038 -18.257 10.943 1.00 0.03 C \nATOM 1972 C ALA A 241 -11.289 -17.516 10.470 1.00 0.60 C \nATOM 1973 O ALA A 241 -12.222 -18.128 9.948 1.00 -0.57 O \nATOM 1974 CB ALA A 241 -10.151 -18.634 12.432 1.00 -0.18 C \nATOM 1975 HA ALA A 241 -9.952 -19.186 10.361 1.00 0.08 H \nATOM 1976 HB1 ALA A 241 -11.060 -19.233 12.591 1.00 0.06 H \nATOM 1977 HB2 ALA A 241 -9.269 -19.220 12.730 1.00 0.06 H \nATOM 1978 HB3 ALA A 241 -10.205 -17.718 13.039 1.00 0.06 H \nATOM 1979 H ALA A 241 -8.287 -17.163 11.484 1.00 0.27 H \nATOM 1980 N ASN A 242 -11.306 -16.198 10.648 1.00 -0.42 N \nATOM 1981 CA ASN A 242 -12.387 -15.377 10.103 1.00 0.01 C \nATOM 1982 C ASN A 242 -12.406 -15.428 8.579 1.00 0.60 C \nATOM 1983 O ASN A 242 -13.448 -15.669 7.976 1.00 -0.57 O \nATOM 1984 CB ASN A 242 -12.268 -13.925 10.576 1.00 -0.20 C \nATOM 1985 CG ASN A 242 -12.701 -13.747 12.027 1.00 0.71 C \nATOM 1986 OD1 ASN A 242 -13.611 -14.427 12.488 1.00 -0.59 O \nATOM 1987 ND2 ASN A 242 -12.050 -12.834 12.749 1.00 -0.92 N \nATOM 1988 HA ASN A 242 -13.341 -15.782 10.472 1.00 0.10 H \nATOM 1989 HB2 ASN A 242 -11.219 -13.607 10.479 1.00 0.08 H \nATOM 1990 HB3 ASN A 242 -12.903 -13.293 9.938 1.00 0.08 H \nATOM 1991 HD22 ASN A 242 -12.299 -12.682 13.705 1.00 0.42 H \nATOM 1992 HD21 ASN A 242 -11.313 -12.301 12.334 1.00 0.42 H \nATOM 1993 H ASN A 242 -10.568 -15.761 11.163 1.00 0.27 H \nATOM 1994 N ALA A 243 -11.242 -15.212 7.969 1.00 -0.42 N \nATOM 1995 CA ALA A 243 -11.094 -15.273 6.518 1.00 0.03 C \nATOM 1996 C ALA A 243 -11.524 -16.632 5.972 1.00 0.60 C \nATOM 1997 O ALA A 243 -12.345 -16.706 5.055 1.00 -0.57 O \nATOM 1998 CB ALA A 243 -9.647 -14.958 6.109 1.00 -0.18 C \nATOM 1999 HA ALA A 243 -11.749 -14.507 6.077 1.00 0.08 H \nATOM 2000 HB1 ALA A 243 -9.556 -15.009 5.014 1.00 0.06 H \nATOM 2001 HB2 ALA A 243 -9.381 -13.948 6.452 1.00 0.06 H \nATOM 2002 HB3 ALA A 243 -8.968 -15.692 6.568 1.00 0.06 H \nATOM 2003 H ALA A 243 -10.439 -15.000 8.526 1.00 0.27 H \nATOM 2004 N LEU A 244 -10.985 -17.706 6.548 1.00 -0.42 N \nATOM 2005 CA LEU A 244 -11.302 -19.058 6.084 1.00 -0.05 C \nATOM 2006 C LEU A 244 -12.784 -19.400 6.260 1.00 0.60 C \nATOM 2007 O LEU A 244 -13.379 -20.103 5.442 1.00 -0.57 O \nATOM 2008 CB LEU A 244 -10.439 -20.100 6.799 1.00 -0.11 C \nATOM 2009 CG LEU A 244 -8.947 -20.021 6.493 1.00 0.35 C \nATOM 2010 CD1 LEU A 244 -8.158 -20.909 7.438 1.00 -0.41 C \nATOM 2011 CD2 LEU A 244 -8.681 -20.385 5.040 1.00 -0.41 C \nATOM 2012 HA LEU A 244 -11.072 -19.103 5.009 1.00 0.09 H \nATOM 2013 HB2 LEU A 244 -10.573 -19.968 7.883 1.00 0.05 H \nATOM 2014 HB3 LEU A 244 -10.795 -21.098 6.505 1.00 0.05 H \nATOM 2015 HG LEU A 244 -8.619 -18.983 6.649 1.00 -0.04 H \nATOM 2016 HD21 LEU A 244 -9.226 -19.692 4.383 1.00 0.10 H \nATOM 2017 HD22 LEU A 244 -7.603 -20.313 4.835 1.00 0.10 H \nATOM 2018 HD23 LEU A 244 -9.022 -21.414 4.851 1.00 0.10 H \nATOM 2019 HD11 LEU A 244 -8.497 -21.950 7.331 1.00 0.10 H \nATOM 2020 HD12 LEU A 244 -7.087 -20.845 7.193 1.00 0.10 H \nATOM 2021 HD13 LEU A 244 -8.318 -20.575 8.474 1.00 0.10 H \nATOM 2022 H LEU A 244 -10.351 -17.586 7.312 1.00 0.27 H \nATOM 2023 N SER A 245 -13.380 -18.901 7.331 1.00 -0.42 N \nATOM 2024 CA SER A 245 -14.784 -19.166 7.565 1.00 -0.02 C \nATOM 2025 C SER A 245 -15.620 -18.457 6.503 1.00 0.60 C \nATOM 2026 O SER A 245 -16.589 -19.014 5.985 1.00 -0.57 O \nATOM 2027 CB SER A 245 -15.187 -18.718 8.969 1.00 0.21 C \nATOM 2028 OG SER A 245 -16.579 -18.895 9.148 1.00 -0.65 O \nATOM 2029 HA SER A 245 -14.957 -20.249 7.483 1.00 0.08 H \nATOM 2030 HB2 SER A 245 -14.644 -19.318 9.714 1.00 0.04 H \nATOM 2031 HB3 SER A 245 -14.934 -17.655 9.100 1.00 0.04 H \nATOM 2032 HG SER A 245 -16.824 -18.615 10.022 1.00 0.43 H \nATOM 2033 H SER A 245 -12.861 -18.342 7.978 1.00 0.27 H \nATOM 2034 N TYR A 246 -15.239 -17.227 6.176 1.00 -0.42 N \nATOM 2035 CA TYR A 246 -15.877 -16.506 5.078 1.00 -0.00 C \nATOM 2036 C TYR A 246 -15.719 -17.284 3.766 1.00 0.60 C \nATOM 2037 O TYR A 246 -16.697 -17.513 3.056 1.00 -0.57 O \nATOM 2038 CB TYR A 246 -15.301 -15.094 4.954 1.00 -0.02 C \nATOM 2039 CG TYR A 246 -15.700 -14.358 3.693 1.00 -0.00 C \nATOM 2040 CD1 TYR A 246 -16.930 -13.720 3.594 1.00 -0.19 C \nATOM 2041 CD2 TYR A 246 -14.838 -14.286 2.604 1.00 -0.19 C \nATOM 2042 CE1 TYR A 246 -17.293 -13.041 2.437 1.00 -0.23 C \nATOM 2043 CE2 TYR A 246 -15.194 -13.608 1.444 1.00 -0.23 C \nATOM 2044 CZ TYR A 246 -16.420 -12.989 1.368 1.00 0.32 C \nATOM 2045 OH TYR A 246 -16.775 -12.311 0.223 1.00 -0.56 O \nATOM 2046 HA TYR A 246 -16.951 -16.420 5.299 1.00 0.09 H \nATOM 2047 HB3 TYR A 246 -15.645 -14.506 5.818 1.00 0.03 H \nATOM 2048 HB2 TYR A 246 -14.204 -15.168 4.975 1.00 0.03 H \nATOM 2049 HD2 TYR A 246 -13.869 -14.768 2.661 1.00 0.17 H \nATOM 2050 HE2 TYR A 246 -14.510 -13.567 0.604 1.00 0.17 H \nATOM 2051 HE1 TYR A 246 -18.259 -12.553 2.374 1.00 0.17 H \nATOM 2052 HD1 TYR A 246 -17.617 -13.752 4.432 1.00 0.17 H \nATOM 2053 HH TYR A 246 -17.644 -11.943 0.330 1.00 0.40 H \nATOM 2054 H TYR A 246 -14.503 -16.787 6.691 1.00 0.27 H \nATOM 2055 N CYS A 247 -14.494 -17.706 3.457 1.00 -0.42 N \nATOM 2056 CA CYS A 247 -14.243 -18.499 2.255 1.00 0.02 C \nATOM 2057 C CYS A 247 -15.152 -19.718 2.177 1.00 0.60 C \nATOM 2058 O CYS A 247 -15.743 -20.004 1.139 1.00 -0.57 O \nATOM 2059 CB CYS A 247 -12.789 -18.968 2.201 1.00 -0.12 C \nATOM 2060 SG CYS A 247 -11.601 -17.690 1.768 1.00 -0.31 S \nATOM 2061 HA CYS A 247 -14.440 -17.862 1.380 1.00 0.11 H \nATOM 2062 HB2 CYS A 247 -12.520 -19.364 3.191 1.00 0.11 H \nATOM 2063 HB3 CYS A 247 -12.716 -19.771 1.453 1.00 0.11 H \nATOM 2064 HG CYS A 247 -10.673 -18.084 1.756 1.00 0.19 H \nATOM 2065 H CYS A 247 -13.730 -17.476 4.060 1.00 0.27 H \nATOM 2066 N HIS A 248 -15.245 -20.454 3.275 1.00 -0.42 N \nATOM 2067 CA HIS A 248 -16.063 -21.652 3.294 1.00 0.02 C \nATOM 2068 C HIS A 248 -17.500 -21.308 2.943 1.00 0.60 C \nATOM 2069 O HIS A 248 -18.177 -22.063 2.244 1.00 -0.57 O \nATOM 2070 CB HIS A 248 -15.961 -22.334 4.657 1.00 -0.05 C \nATOM 2071 CG HIS A 248 -14.646 -23.009 4.878 1.00 -0.03 C \nATOM 2072 ND1 HIS A 248 -14.360 -23.739 6.011 1.00 -0.38 N \nATOM 2073 CD2 HIS A 248 -13.540 -23.075 4.099 1.00 0.13 C \nATOM 2074 CE1 HIS A 248 -13.132 -24.220 5.923 1.00 0.21 C \nATOM 2075 NE2 HIS A 248 -12.613 -23.830 4.770 1.00 -0.57 N \nATOM 2076 HA HIS A 248 -15.681 -22.348 2.533 1.00 0.09 H \nATOM 2077 HB2 HIS A 248 -16.100 -21.574 5.440 1.00 0.04 H \nATOM 2078 HB3 HIS A 248 -16.758 -23.088 4.732 1.00 0.04 H \nATOM 2079 HD2 HIS A 248 -13.411 -22.614 3.121 1.00 0.11 H \nATOM 2080 HE1 HIS A 248 -12.632 -24.833 6.672 1.00 0.14 H \nATOM 2081 HD1 HIS A 248 -15.002 -23.887 6.802 1.00 0.36 H \nATOM 2082 H HIS A 248 -14.747 -20.181 4.098 1.00 0.27 H \nATOM 2083 N SER A 249 -17.954 -20.151 3.408 1.00 -0.42 N \nATOM 2084 CA SER A 249 -19.320 -19.729 3.155 1.00 -0.02 C \nATOM 2085 C SER A 249 -19.502 -19.389 1.675 1.00 0.60 C \nATOM 2086 O SER A 249 -20.621 -19.325 1.173 1.00 -0.57 O \nATOM 2087 CB SER A 249 -19.698 -18.538 4.042 1.00 0.21 C \nATOM 2088 OG SER A 249 -19.324 -17.305 3.446 1.00 -0.65 O \nATOM 2089 HA SER A 249 -19.991 -20.565 3.401 1.00 0.08 H \nATOM 2090 HB2 SER A 249 -20.786 -18.542 4.201 1.00 0.04 H \nATOM 2091 HB3 SER A 249 -19.185 -18.637 5.010 1.00 0.04 H \nATOM 2092 HG SER A 249 -19.571 -16.589 4.019 1.00 0.43 H \nATOM 2093 H SER A 249 -17.347 -19.561 3.940 1.00 0.27 H \nATOM 2094 N LYS A 250 -18.396 -19.171 0.978 1.00 -0.35 N \nATOM 2095 CA LYS A 250 -18.458 -18.894 -0.450 1.00 -0.24 C \nATOM 2096 C LYS A 250 -17.991 -20.118 -1.231 1.00 0.73 C \nATOM 2097 O LYS A 250 -17.584 -20.007 -2.383 1.00 -0.59 O \nATOM 2098 CB LYS A 250 -17.589 -17.688 -0.806 1.00 -0.01 C \nATOM 2099 CG LYS A 250 -17.960 -16.408 -0.088 1.00 0.02 C \nATOM 2100 CD LYS A 250 -19.315 -15.899 -0.523 1.00 -0.05 C \nATOM 2101 CE LYS A 250 -19.498 -14.436 -0.137 1.00 -0.01 C \nATOM 2102 NZ LYS A 250 -20.851 -13.910 -0.494 1.00 -0.39 N \nATOM 2103 HA LYS A 250 -19.500 -18.672 -0.723 1.00 0.14 H \nATOM 2104 HB2 LYS A 250 -16.546 -17.931 -0.556 1.00 0.04 H \nATOM 2105 HB3 LYS A 250 -17.675 -17.511 -1.888 1.00 0.04 H \nATOM 2106 HG2 LYS A 250 -17.981 -16.599 0.995 1.00 0.01 H \nATOM 2107 HG3 LYS A 250 -17.203 -15.642 -0.310 1.00 0.01 H \nATOM 2108 HD2 LYS A 250 -19.402 -15.997 -1.615 1.00 0.06 H \nATOM 2109 HD3 LYS A 250 -20.098 -16.500 -0.037 1.00 0.06 H \nATOM 2110 HE2 LYS A 250 -19.358 -14.339 0.950 1.00 0.11 H \nATOM 2111 HE3 LYS A 250 -18.738 -13.836 -0.660 1.00 0.11 H \nATOM 2112 HZ1 LYS A 250 -21.558 -14.452 -0.022 1.00 0.34 H \nATOM 2113 HZ2 LYS A 250 -20.922 -12.946 -0.210 1.00 0.34 H \nATOM 2114 HZ3 LYS A 250 -20.985 -13.977 -1.491 1.00 0.34 H \nATOM 2115 H LYS A 250 -17.509 -19.197 1.438 1.00 0.27 H \nATOM 2116 N ARG A 251 -18.039 -21.280 -0.589 1.00 -0.35 N \nATOM 2117 CA ARG A 251 -17.614 -22.527 -1.221 1.00 -0.26 C \nATOM 2118 C ARG A 251 -16.174 -22.479 -1.733 1.00 0.73 C \nATOM 2119 O ARG A 251 -15.840 -23.096 -2.744 1.00 -0.59 O \nATOM 2120 CB ARG A 251 -18.568 -22.911 -2.354 1.00 -0.00 C \nATOM 2121 CG ARG A 251 -19.952 -23.341 -1.885 1.00 0.04 C \nATOM 2122 CD ARG A 251 -19.882 -24.290 -0.682 1.00 0.05 C \nATOM 2123 NE ARG A 251 -18.946 -25.399 -0.883 1.00 -0.53 N \nATOM 2124 CZ ARG A 251 -17.936 -25.699 -0.065 1.00 0.81 C \nATOM 2125 NH1 ARG A 251 -17.146 -26.730 -0.346 1.00 -0.86 N \nATOM 2126 NH2 ARG A 251 -17.719 -24.983 1.038 1.00 -0.86 N \nATOM 2127 HA ARG A 251 -17.664 -23.316 -0.456 1.00 0.16 H \nATOM 2128 HB2 ARG A 251 -18.683 -22.041 -3.018 1.00 0.03 H \nATOM 2129 HB3 ARG A 251 -18.120 -23.744 -2.915 1.00 0.03 H \nATOM 2130 HG2 ARG A 251 -20.524 -22.446 -1.599 1.00 0.03 H \nATOM 2131 HG3 ARG A 251 -20.464 -23.854 -2.713 1.00 0.03 H \nATOM 2132 HD2 ARG A 251 -19.561 -23.716 0.200 1.00 0.07 H \nATOM 2133 HD3 ARG A 251 -20.885 -24.705 -0.504 1.00 0.07 H \nATOM 2134 HE ARG A 251 -19.077 -25.990 -1.716 1.00 0.35 H \nATOM 2135 HH12 ARG A 251 -16.365 -26.966 0.282 1.00 0.45 H \nATOM 2136 HH11 ARG A 251 -17.315 -27.293 -1.192 1.00 0.45 H \nATOM 2137 HH22 ARG A 251 -16.936 -25.224 1.662 1.00 0.45 H \nATOM 2138 HH21 ARG A 251 -18.334 -24.189 1.266 1.00 0.45 H \nATOM 2139 H ARG A 251 -18.375 -21.302 0.353 1.00 0.27 H \nATOM 2140 N VAL A 252 -15.319 -21.752 -1.027 1.00 -0.42 N \nATOM 2141 CA VAL A 252 -13.910 -21.692 -1.388 1.00 -0.09 C \nATOM 2142 C VAL A 252 -13.076 -22.347 -0.298 1.00 0.60 C \nATOM 2143 O VAL A 252 -13.025 -21.861 0.830 1.00 -0.57 O \nATOM 2144 CB VAL A 252 -13.446 -20.237 -1.597 1.00 0.30 C \nATOM 2145 CG1 VAL A 252 -11.934 -20.176 -1.769 1.00 -0.32 C \nATOM 2146 CG2 VAL A 252 -14.162 -19.624 -2.792 1.00 -0.32 C \nATOM 2147 HA VAL A 252 -13.765 -22.244 -2.328 1.00 0.10 H \nATOM 2148 HB VAL A 252 -13.712 -19.657 -0.701 1.00 -0.03 H \nATOM 2149 HG11 VAL A 252 -11.639 -20.781 -2.639 1.00 0.08 H \nATOM 2150 HG12 VAL A 252 -11.625 -19.132 -1.927 1.00 0.08 H \nATOM 2151 HG13 VAL A 252 -11.446 -20.570 -0.865 1.00 0.08 H \nATOM 2152 HG21 VAL A 252 -15.248 -19.643 -2.618 1.00 0.08 H \nATOM 2153 HG22 VAL A 252 -13.830 -18.584 -2.924 1.00 0.08 H \nATOM 2154 HG23 VAL A 252 -13.925 -20.202 -3.697 1.00 0.08 H \nATOM 2155 H VAL A 252 -15.647 -21.237 -0.235 1.00 0.27 H \nATOM 2156 N ILE A 253 -12.430 -23.460 -0.626 1.00 -0.42 N \nATOM 2157 CA ILE A 253 -11.633 -24.157 0.371 1.00 -0.06 C \nATOM 2158 C ILE A 253 -10.179 -24.313 -0.057 1.00 0.60 C \nATOM 2159 O ILE A 253 -9.800 -23.961 -1.172 1.00 -0.57 O \nATOM 2160 CB ILE A 253 -12.219 -25.541 0.705 1.00 0.13 C \nATOM 2161 CG1 ILE A 253 -11.955 -26.521 -0.435 1.00 -0.04 C \nATOM 2162 CG2 ILE A 253 -13.712 -25.442 0.976 1.00 -0.32 C \nATOM 2163 CD1 ILE A 253 -12.377 -27.935 -0.111 1.00 -0.07 C \nATOM 2164 HA ILE A 253 -11.651 -23.551 1.289 1.00 0.09 H \nATOM 2165 HB ILE A 253 -11.724 -25.918 1.612 1.00 0.02 H \nATOM 2166 HG12 ILE A 253 -12.511 -26.184 -1.322 1.00 0.02 H \nATOM 2167 HG13 ILE A 253 -10.877 -26.519 -0.656 1.00 0.02 H \nATOM 2168 HD11 ILE A 253 -13.454 -27.954 0.113 1.00 0.02 H \nATOM 2169 HD12 ILE A 253 -12.170 -28.586 -0.973 1.00 0.02 H \nATOM 2170 HD13 ILE A 253 -11.814 -28.294 0.763 1.00 0.02 H \nATOM 2171 HG21 ILE A 253 -14.220 -25.037 0.088 1.00 0.09 H \nATOM 2172 HG22 ILE A 253 -14.111 -26.442 1.202 1.00 0.09 H \nATOM 2173 HG23 ILE A 253 -13.886 -24.776 1.834 1.00 0.09 H \nATOM 2174 H ILE A 253 -12.492 -23.818 -1.558 1.00 0.27 H \nATOM 2175 N HIS A 254 -9.372 -24.844 0.852 1.00 -0.42 N \nATOM 2176 CA HIS A 254 -7.965 -25.108 0.594 1.00 0.02 C \nATOM 2177 C HIS A 254 -7.197 -23.859 0.156 1.00 0.60 C \nATOM 2178 O HIS A 254 -6.326 -23.914 -0.718 1.00 -0.57 O \nATOM 2179 CB HIS A 254 -7.804 -26.250 -0.411 1.00 -0.05 C \nATOM 2180 CG HIS A 254 -6.389 -26.709 -0.574 1.00 -0.03 C \nATOM 2181 ND1 HIS A 254 -5.523 -26.847 0.491 1.00 -0.38 N \nATOM 2182 CD2 HIS A 254 -5.687 -27.068 -1.676 1.00 0.13 C \nATOM 2183 CE1 HIS A 254 -4.350 -27.267 0.053 1.00 0.21 C \nATOM 2184 NE2 HIS A 254 -4.423 -27.406 -1.260 1.00 -0.57 N \nATOM 2185 HA HIS A 254 -7.519 -25.441 1.543 1.00 0.09 H \nATOM 2186 HB2 HIS A 254 -8.409 -27.103 -0.069 1.00 0.04 H \nATOM 2187 HB3 HIS A 254 -8.173 -25.907 -1.389 1.00 0.04 H \nATOM 2188 HD2 HIS A 254 -6.056 -27.085 -2.700 1.00 0.11 H \nATOM 2189 HE1 HIS A 254 -3.473 -27.465 0.668 1.00 0.14 H \nATOM 2190 HD1 HIS A 254 -5.755 -26.653 1.475 1.00 0.36 H \nATOM 2191 H HIS A 254 -9.746 -25.072 1.751 1.00 0.27 H \nATOM 2192 N ARG A 255 -7.517 -22.733 0.783 1.00 -0.35 N \nATOM 2193 CA ARG A 255 -6.751 -21.512 0.581 1.00 -0.26 C \nATOM 2194 C ARG A 255 -5.329 -21.662 1.107 1.00 0.73 C \nATOM 2195 O ARG A 255 -5.109 -22.198 2.193 1.00 -0.59 O \nATOM 2196 CB ARG A 255 -7.446 -20.326 1.250 1.00 -0.00 C \nATOM 2197 CG ARG A 255 -8.253 -19.472 0.286 1.00 0.04 C \nATOM 2198 CD ARG A 255 -7.318 -18.727 -0.672 1.00 0.05 C \nATOM 2199 NE ARG A 255 -8.007 -17.681 -1.426 1.00 -0.53 N \nATOM 2200 CZ ARG A 255 -7.409 -16.612 -1.950 1.00 0.81 C \nATOM 2201 NH1 ARG A 255 -6.103 -16.427 -1.808 1.00 -0.86 N \nATOM 2202 NH2 ARG A 255 -8.124 -15.720 -2.613 1.00 -0.86 N \nATOM 2203 HA ARG A 255 -6.698 -21.316 -0.500 1.00 0.16 H \nATOM 2204 HB2 ARG A 255 -8.125 -20.712 2.025 1.00 0.03 H \nATOM 2205 HB3 ARG A 255 -6.679 -19.692 1.718 1.00 0.03 H \nATOM 2206 HG2 ARG A 255 -8.928 -20.118 -0.294 1.00 0.03 H \nATOM 2207 HG3 ARG A 255 -8.846 -18.742 0.856 1.00 0.03 H \nATOM 2208 HD2 ARG A 255 -6.509 -18.266 -0.087 1.00 0.07 H \nATOM 2209 HD3 ARG A 255 -6.891 -19.450 -1.382 1.00 0.07 H \nATOM 2210 HE ARG A 255 -9.024 -17.777 -1.561 1.00 0.35 H \nATOM 2211 HH12 ARG A 255 -5.653 -15.596 -2.218 1.00 0.45 H \nATOM 2212 HH11 ARG A 255 -5.539 -17.114 -1.288 1.00 0.45 H \nATOM 2213 HH22 ARG A 255 -7.666 -14.892 -3.020 1.00 0.45 H \nATOM 2214 HH21 ARG A 255 -9.139 -15.853 -2.723 1.00 0.45 H \nATOM 2215 H ARG A 255 -8.299 -22.724 1.406 1.00 0.27 H \nATOM 2216 N ASP A 256 -4.365 -21.186 0.330 1.00 -0.52 N \nATOM 2217 CA ASP A 256 -2.960 -21.281 0.706 1.00 0.04 C \nATOM 2218 C ASP A 256 -2.614 -20.225 1.755 1.00 0.54 C \nATOM 2219 O ASP A 256 -2.649 -19.029 1.480 1.00 -0.58 O \nATOM 2220 CB ASP A 256 -2.067 -21.135 -0.531 1.00 -0.03 C \nATOM 2221 CG ASP A 256 -0.593 -21.046 -0.178 1.00 0.80 C \nATOM 2222 OD1 ASP A 256 0.150 -20.332 -0.888 1.00 -0.80 O \nATOM 2223 OD2 ASP A 256 -0.178 -21.680 0.816 1.00 -0.80 O \nATOM 2224 HA ASP A 256 -2.784 -22.274 1.145 1.00 0.09 H \nATOM 2225 HB2 ASP A 256 -2.221 -22.008 -1.182 1.00 -0.01 H \nATOM 2226 HB3 ASP A 256 -2.357 -20.220 -1.069 1.00 -0.01 H \nATOM 2227 H ASP A 256 -4.609 -20.750 -0.537 1.00 0.29 H \nATOM 2228 N ILE A 257 -2.291 -20.670 2.964 1.00 -0.42 N \nATOM 2229 CA ILE A 257 -2.058 -19.737 4.062 1.00 -0.06 C \nATOM 2230 C ILE A 257 -0.688 -19.918 4.698 1.00 0.60 C \nATOM 2231 O ILE A 257 -0.464 -19.497 5.835 1.00 -0.57 O \nATOM 2232 CB ILE A 257 -3.157 -19.817 5.147 1.00 0.13 C \nATOM 2233 CG1 ILE A 257 -3.111 -21.167 5.874 1.00 -0.04 C \nATOM 2234 CG2 ILE A 257 -4.527 -19.561 4.528 1.00 -0.32 C \nATOM 2235 CD1 ILE A 257 -4.055 -21.270 7.069 1.00 -0.07 C \nATOM 2236 HA ILE A 257 -2.091 -18.724 3.634 1.00 0.09 H \nATOM 2237 HB ILE A 257 -2.965 -19.027 5.888 1.00 0.02 H \nATOM 2238 HG12 ILE A 257 -3.379 -21.955 5.155 1.00 0.02 H \nATOM 2239 HG13 ILE A 257 -2.084 -21.331 6.232 1.00 0.02 H \nATOM 2240 HD11 ILE A 257 -5.090 -21.112 6.733 1.00 0.02 H \nATOM 2241 HD12 ILE A 257 -3.965 -22.268 7.522 1.00 0.02 H \nATOM 2242 HD13 ILE A 257 -3.790 -20.504 7.813 1.00 0.02 H \nATOM 2243 HG21 ILE A 257 -4.723 -20.312 3.748 1.00 0.09 H \nATOM 2244 HG22 ILE A 257 -5.300 -19.631 5.307 1.00 0.09 H \nATOM 2245 HG23 ILE A 257 -4.546 -18.556 4.082 1.00 0.09 H \nATOM 2246 H ILE A 257 -2.207 -21.654 3.124 1.00 0.27 H \nATOM 2247 N LYS A 258 0.228 -20.536 3.959 1.00 -0.35 N \nATOM 2248 CA LYS A 258 1.617 -20.602 4.390 1.00 -0.24 C \nATOM 2249 C LYS A 258 2.172 -19.179 4.432 1.00 0.73 C \nATOM 2250 O LYS A 258 1.672 -18.290 3.742 1.00 -0.59 O \nATOM 2251 CB LYS A 258 2.440 -21.497 3.456 1.00 -0.01 C \nATOM 2252 CG LYS A 258 2.458 -21.042 2.013 1.00 0.02 C \nATOM 2253 CD LYS A 258 3.445 -21.852 1.179 1.00 -0.05 C \nATOM 2254 CE LYS A 258 3.062 -23.315 1.117 1.00 -0.01 C \nATOM 2255 NZ LYS A 258 1.811 -23.522 0.330 1.00 -0.39 N \nATOM 2256 HA LYS A 258 1.657 -21.030 5.403 1.00 0.14 H \nATOM 2257 HB2 LYS A 258 3.477 -21.518 3.824 1.00 0.04 H \nATOM 2258 HB3 LYS A 258 2.018 -22.512 3.492 1.00 0.04 H \nATOM 2259 HG2 LYS A 258 1.450 -21.162 1.589 1.00 0.01 H \nATOM 2260 HG3 LYS A 258 2.747 -19.981 1.977 1.00 0.01 H \nATOM 2261 HD2 LYS A 258 3.465 -21.446 0.157 1.00 0.06 H \nATOM 2262 HD3 LYS A 258 4.446 -21.765 1.628 1.00 0.06 H \nATOM 2263 HE2 LYS A 258 3.879 -23.878 0.643 1.00 0.11 H \nATOM 2264 HE3 LYS A 258 2.906 -23.687 2.140 1.00 0.11 H \nATOM 2265 HZ1 LYS A 258 1.944 -23.180 -0.609 1.00 0.34 H \nATOM 2266 HZ2 LYS A 258 1.591 -24.505 0.301 1.00 0.34 H \nATOM 2267 HZ3 LYS A 258 1.053 -23.021 0.766 1.00 0.34 H \nATOM 2268 H LYS A 258 -0.041 -20.962 3.095 1.00 0.27 H \nATOM 2269 N PRO A 259 3.201 -18.954 5.251 1.00 -0.25 N \nATOM 2270 CA PRO A 259 3.695 -17.598 5.482 1.00 -0.03 C \nATOM 2271 C PRO A 259 4.078 -16.843 4.203 1.00 0.59 C \nATOM 2272 O PRO A 259 3.782 -15.651 4.108 1.00 -0.57 O \nATOM 2273 CB PRO A 259 4.920 -17.828 6.373 1.00 -0.01 C \nATOM 2274 CG PRO A 259 4.627 -19.114 7.063 1.00 0.02 C \nATOM 2275 CD PRO A 259 3.964 -19.950 6.016 1.00 0.02 C \nATOM 2276 HA PRO A 259 2.935 -17.009 6.016 1.00 0.06 H \nATOM 2277 HD3 PRO A 259 3.298 -20.700 6.468 1.00 0.04 H \nATOM 2278 HD2 PRO A 259 4.707 -20.455 5.381 1.00 0.04 H \nATOM 2279 HG3 PRO A 259 3.954 -18.953 7.918 1.00 0.02 H \nATOM 2280 HG2 PRO A 259 5.555 -19.590 7.412 1.00 0.02 H \nATOM 2281 HB2 PRO A 259 5.835 -17.909 5.767 1.00 0.03 H \nATOM 2282 HB3 PRO A 259 5.033 -17.011 7.101 1.00 0.03 H \nATOM 2283 N GLU A 260 4.707 -17.509 3.238 1.00 -0.52 N \nATOM 2284 CA GLU A 260 5.147 -16.812 2.025 1.00 0.04 C \nATOM 2285 C GLU A 260 3.971 -16.272 1.216 1.00 0.54 C \nATOM 2286 O GLU A 260 4.156 -15.518 0.262 1.00 -0.58 O \nATOM 2287 CB GLU A 260 6.057 -17.687 1.146 1.00 0.06 C \nATOM 2288 CG GLU A 260 5.655 -19.140 1.056 1.00 0.01 C \nATOM 2289 CD GLU A 260 6.203 -19.976 2.210 1.00 0.81 C \nATOM 2290 OE1 GLU A 260 6.153 -21.221 2.120 1.00 -0.82 O \nATOM 2291 OE2 GLU A 260 6.694 -19.395 3.201 1.00 -0.82 O \nATOM 2292 HA GLU A 260 5.743 -15.947 2.351 1.00 0.11 H \nATOM 2293 HB2 GLU A 260 6.053 -17.269 0.129 1.00 -0.02 H \nATOM 2294 HB3 GLU A 260 7.076 -17.640 1.558 1.00 -0.02 H \nATOM 2295 HG2 GLU A 260 4.557 -19.203 1.067 1.00 -0.04 H \nATOM 2296 HG3 GLU A 260 6.037 -19.553 0.110 1.00 -0.04 H \nATOM 2297 H GLU A 260 4.880 -18.489 3.340 1.00 0.29 H \nATOM 2298 N ASN A 261 2.762 -16.648 1.613 1.00 -0.42 N \nATOM 2299 CA ASN A 261 1.564 -16.173 0.939 1.00 0.01 C \nATOM 2300 C ASN A 261 0.731 -15.228 1.787 1.00 0.60 C \nATOM 2301 O ASN A 261 -0.458 -15.032 1.518 1.00 -0.57 O \nATOM 2302 CB ASN A 261 0.691 -17.344 0.506 1.00 -0.20 C \nATOM 2303 CG ASN A 261 0.219 -17.192 -0.906 1.00 0.71 C \nATOM 2304 OD1 ASN A 261 1.023 -17.285 -1.843 1.00 -0.59 O \nATOM 2305 ND2 ASN A 261 -1.080 -16.926 -1.082 1.00 -0.92 N \nATOM 2306 HA ASN A 261 1.884 -15.627 0.040 1.00 0.10 H \nATOM 2307 HB2 ASN A 261 1.274 -18.273 0.589 1.00 0.08 H \nATOM 2308 HB3 ASN A 261 -0.184 -17.400 1.170 1.00 0.08 H \nATOM 2309 HD22 ASN A 261 -1.447 -16.815 -2.006 1.00 0.42 H \nATOM 2310 HD21 ASN A 261 -1.684 -16.838 -0.290 1.00 0.42 H \nATOM 2311 H ASN A 261 2.673 -17.270 2.391 1.00 0.27 H \nATOM 2312 N LEU A 262 1.358 -14.660 2.814 1.00 -0.42 N \nATOM 2313 CA LEU A 262 0.665 -13.803 3.762 1.00 -0.05 C \nATOM 2314 C LEU A 262 1.322 -12.438 3.792 1.00 0.60 C \nATOM 2315 O LEU A 262 2.531 -12.319 4.002 1.00 -0.57 O \nATOM 2316 CB LEU A 262 0.669 -14.424 5.171 1.00 -0.11 C \nATOM 2317 CG LEU A 262 -0.078 -15.746 5.354 1.00 0.35 C \nATOM 2318 CD1 LEU A 262 -0.111 -16.153 6.831 1.00 -0.41 C \nATOM 2319 CD2 LEU A 262 -1.494 -15.657 4.791 1.00 -0.41 C \nATOM 2320 HA LEU A 262 -0.378 -13.687 3.434 1.00 0.09 H \nATOM 2321 HB2 LEU A 262 1.718 -14.595 5.455 1.00 0.05 H \nATOM 2322 HB3 LEU A 262 0.218 -13.692 5.857 1.00 0.05 H \nATOM 2323 HG LEU A 262 0.464 -16.524 4.796 1.00 -0.04 H \nATOM 2324 HD21 LEU A 262 -1.448 -15.414 3.719 1.00 0.10 H \nATOM 2325 HD22 LEU A 262 -2.004 -16.622 4.926 1.00 0.10 H \nATOM 2326 HD23 LEU A 262 -2.051 -14.871 5.322 1.00 0.10 H \nATOM 2327 HD11 LEU A 262 -0.613 -15.369 7.416 1.00 0.10 H \nATOM 2328 HD12 LEU A 262 -0.661 -17.099 6.938 1.00 0.10 H \nATOM 2329 HD13 LEU A 262 0.918 -16.283 7.199 1.00 0.10 H \nATOM 2330 H LEU A 262 2.336 -14.828 2.938 1.00 0.27 H \nATOM 2331 N LEU A 263 0.521 -11.404 3.577 1.00 -0.42 N \nATOM 2332 CA LEU A 263 1.025 -10.042 3.610 1.00 -0.05 C \nATOM 2333 C LEU A 263 0.458 -9.307 4.820 1.00 0.60 C \nATOM 2334 O LEU A 263 -0.424 -9.822 5.520 1.00 -0.57 O \nATOM 2335 CB LEU A 263 0.677 -9.319 2.302 1.00 -0.11 C \nATOM 2336 CG LEU A 263 1.242 -9.962 1.023 1.00 0.35 C \nATOM 2337 CD1 LEU A 263 0.983 -9.089 -0.202 1.00 -0.41 C \nATOM 2338 CD2 LEU A 263 2.722 -10.212 1.162 1.00 -0.41 C \nATOM 2339 HA LEU A 263 2.120 -10.075 3.706 1.00 0.09 H \nATOM 2340 HB2 LEU A 263 -0.419 -9.289 2.212 1.00 0.05 H \nATOM 2341 HB3 LEU A 263 1.067 -8.293 2.367 1.00 0.05 H \nATOM 2342 HG LEU A 263 0.737 -10.928 0.873 1.00 -0.04 H \nATOM 2343 HD21 LEU A 263 2.902 -10.881 2.016 1.00 0.10 H \nATOM 2344 HD22 LEU A 263 3.103 -10.680 0.242 1.00 0.10 H \nATOM 2345 HD23 LEU A 263 3.241 -9.257 1.329 1.00 0.10 H \nATOM 2346 HD11 LEU A 263 1.455 -8.106 -0.058 1.00 0.10 H \nATOM 2347 HD12 LEU A 263 1.408 -9.573 -1.094 1.00 0.10 H \nATOM 2348 HD13 LEU A 263 -0.101 -8.959 -0.337 1.00 0.10 H \nATOM 2349 H LEU A 263 -0.448 -11.564 3.389 1.00 0.27 H \nATOM 2350 N LEU A 264 0.963 -8.105 5.067 1.00 -0.42 N \nATOM 2351 CA LEU A 264 0.515 -7.335 6.217 1.00 -0.05 C \nATOM 2352 C LEU A 264 -0.078 -5.998 5.797 1.00 0.60 C \nATOM 2353 O LEU A 264 0.561 -5.233 5.074 1.00 -0.57 O \nATOM 2354 CB LEU A 264 1.673 -7.117 7.188 1.00 -0.11 C \nATOM 2355 CG LEU A 264 2.140 -8.358 7.954 1.00 0.35 C \nATOM 2356 CD1 LEU A 264 3.514 -8.130 8.567 1.00 -0.41 C \nATOM 2357 CD2 LEU A 264 1.122 -8.751 9.025 1.00 -0.41 C \nATOM 2358 HA LEU A 264 -0.268 -7.911 6.732 1.00 0.09 H \nATOM 2359 HB2 LEU A 264 2.528 -6.733 6.613 1.00 0.05 H \nATOM 2360 HB3 LEU A 264 1.359 -6.363 7.925 1.00 0.05 H \nATOM 2361 HG LEU A 264 2.220 -9.190 7.239 1.00 -0.04 H \nATOM 2362 HD21 LEU A 264 0.153 -8.962 8.550 1.00 0.10 H \nATOM 2363 HD22 LEU A 264 1.474 -9.649 9.554 1.00 0.10 H \nATOM 2364 HD23 LEU A 264 1.007 -7.925 9.742 1.00 0.10 H \nATOM 2365 HD11 LEU A 264 3.471 -7.274 9.256 1.00 0.10 H \nATOM 2366 HD12 LEU A 264 3.823 -9.030 9.119 1.00 0.10 H \nATOM 2367 HD13 LEU A 264 4.242 -7.922 7.769 1.00 0.10 H \nATOM 2368 H LEU A 264 1.658 -7.725 4.457 1.00 0.27 H \nATOM 2369 N GLY A 265 -1.292 -5.721 6.274 1.00 -0.42 N \nATOM 2370 CA GLY A 265 -1.969 -4.460 6.014 1.00 -0.03 C \nATOM 2371 C GLY A 265 -1.469 -3.325 6.894 1.00 0.60 C \nATOM 2372 O GLY A 265 -0.558 -3.496 7.715 1.00 -0.57 O \nATOM 2373 HA3 GLY A 265 -1.806 -4.185 4.961 1.00 0.07 H \nATOM 2374 HA2 GLY A 265 -3.045 -4.596 6.195 1.00 0.07 H \nATOM 2375 H GLY A 265 -1.756 -6.408 6.833 1.00 0.27 H \nATOM 2376 N SER A 266 -2.072 -2.155 6.723 1.00 -0.42 N \nATOM 2377 CA SER A 266 -1.630 -0.946 7.422 1.00 -0.02 C \nATOM 2378 C SER A 266 -1.851 -0.991 8.935 1.00 0.60 C \nATOM 2379 O SER A 266 -1.345 -0.141 9.647 1.00 -0.57 O \nATOM 2380 CB SER A 266 -2.314 0.296 6.841 1.00 0.21 C \nATOM 2381 OG SER A 266 -3.722 0.228 7.019 1.00 -0.65 O \nATOM 2382 HA SER A 266 -0.548 -0.850 7.251 1.00 0.08 H \nATOM 2383 HB2 SER A 266 -1.929 1.191 7.351 1.00 0.04 H \nATOM 2384 HB3 SER A 266 -2.089 0.361 5.766 1.00 0.04 H \nATOM 2385 HG SER A 266 -4.125 1.006 6.652 1.00 0.43 H \nATOM 2386 H SER A 266 -2.851 -2.097 6.099 1.00 0.27 H \nATOM 2387 N ALA A 267 -2.611 -1.971 9.418 1.00 -0.42 N \nATOM 2388 CA ALA A 267 -2.803 -2.146 10.856 1.00 0.03 C \nATOM 2389 C ALA A 267 -2.135 -3.416 11.386 1.00 0.60 C \nATOM 2390 O ALA A 267 -2.501 -3.913 12.448 1.00 -0.57 O \nATOM 2391 CB ALA A 267 -4.280 -2.142 11.202 1.00 -0.18 C \nATOM 2392 HA ALA A 267 -2.334 -1.288 11.360 1.00 0.08 H \nATOM 2393 HB1 ALA A 267 -4.403 -2.275 12.287 1.00 0.06 H \nATOM 2394 HB2 ALA A 267 -4.725 -1.184 10.897 1.00 0.06 H \nATOM 2395 HB3 ALA A 267 -4.783 -2.965 10.673 1.00 0.06 H \nATOM 2396 H ALA A 267 -3.060 -2.601 8.784 1.00 0.27 H \nATOM 2397 N GLY A 268 -1.173 -3.957 10.644 1.00 -0.42 N \nATOM 2398 CA GLY A 268 -0.485 -5.167 11.072 1.00 -0.03 C \nATOM 2399 C GLY A 268 -1.328 -6.433 10.999 1.00 0.60 C \nATOM 2400 O GLY A 268 -0.934 -7.478 11.512 1.00 -0.57 O \nATOM 2401 HA3 GLY A 268 0.398 -5.305 10.431 1.00 0.07 H \nATOM 2402 HA2 GLY A 268 -0.163 -5.028 12.115 1.00 0.07 H \nATOM 2403 H GLY A 268 -0.918 -3.526 9.778 1.00 0.27 H \nATOM 2404 N GLU A 269 -2.489 -6.340 10.357 1.00 -0.52 N \nATOM 2405 CA GLU A 269 -3.367 -7.489 10.154 1.00 0.04 C \nATOM 2406 C GLU A 269 -2.990 -8.299 8.903 1.00 0.54 C \nATOM 2407 O GLU A 269 -2.550 -7.745 7.880 1.00 -0.58 O \nATOM 2408 CB GLU A 269 -4.825 -7.032 10.046 1.00 0.06 C \nATOM 2409 CG GLU A 269 -5.239 -6.489 8.662 1.00 0.01 C \nATOM 2410 CD GLU A 269 -4.767 -5.057 8.412 1.00 0.81 C \nATOM 2411 OE1 GLU A 269 -3.727 -4.651 8.982 1.00 -0.82 O \nATOM 2412 OE2 GLU A 269 -5.437 -4.338 7.636 1.00 -0.82 O \nATOM 2413 HA GLU A 269 -3.271 -8.148 11.030 1.00 0.11 H \nATOM 2414 HB2 GLU A 269 -5.470 -7.891 10.282 1.00 -0.02 H \nATOM 2415 HB3 GLU A 269 -4.989 -6.236 10.787 1.00 -0.02 H \nATOM 2416 HG2 GLU A 269 -4.807 -7.140 7.887 1.00 -0.04 H \nATOM 2417 HG3 GLU A 269 -6.336 -6.513 8.591 1.00 -0.04 H \nATOM 2418 H GLU A 269 -2.771 -5.450 10.000 1.00 0.29 H \nATOM 2419 N LEU A 270 -3.184 -9.611 8.989 1.00 -0.42 N \nATOM 2420 CA LEU A 270 -2.853 -10.512 7.892 1.00 -0.05 C \nATOM 2421 C LEU A 270 -3.695 -10.292 6.646 1.00 0.60 C \nATOM 2422 O LEU A 270 -4.888 -9.974 6.713 1.00 -0.57 O \nATOM 2423 CB LEU A 270 -2.965 -11.972 8.317 1.00 -0.11 C \nATOM 2424 CG LEU A 270 -1.893 -12.498 9.275 1.00 0.35 C \nATOM 2425 CD1 LEU A 270 -2.099 -13.986 9.543 1.00 -0.41 C \nATOM 2426 CD2 LEU A 270 -0.500 -12.241 8.726 1.00 -0.41 C \nATOM 2427 HA LEU A 270 -1.805 -10.318 7.621 1.00 0.09 H \nATOM 2428 HB2 LEU A 270 -3.941 -12.102 8.807 1.00 0.05 H \nATOM 2429 HB3 LEU A 270 -2.927 -12.587 7.406 1.00 0.05 H \nATOM 2430 HG LEU A 270 -1.991 -11.959 10.229 1.00 -0.04 H \nATOM 2431 HD21 LEU A 270 -0.356 -11.160 8.581 1.00 0.10 H \nATOM 2432 HD22 LEU A 270 0.250 -12.619 9.437 1.00 0.10 H \nATOM 2433 HD23 LEU A 270 -0.385 -12.758 7.762 1.00 0.10 H \nATOM 2434 HD11 LEU A 270 -2.045 -14.540 8.594 1.00 0.10 H \nATOM 2435 HD12 LEU A 270 -1.315 -14.348 10.224 1.00 0.10 H \nATOM 2436 HD13 LEU A 270 -3.086 -14.142 10.004 1.00 0.10 H \nATOM 2437 H LEU A 270 -3.568 -9.991 9.830 1.00 0.27 H \nATOM 2438 N LYS A 271 -3.037 -10.471 5.506 1.00 -0.35 N \nATOM 2439 CA LYS A 271 -3.670 -10.411 4.198 1.00 -0.24 C \nATOM 2440 C LYS A 271 -3.272 -11.650 3.387 1.00 0.73 C \nATOM 2441 O LYS A 271 -2.100 -11.832 3.040 1.00 -0.59 O \nATOM 2442 CB LYS A 271 -3.241 -9.129 3.482 1.00 -0.01 C \nATOM 2443 CG LYS A 271 -4.384 -8.175 3.191 1.00 0.02 C \nATOM 2444 CD LYS A 271 -4.622 -7.110 4.239 1.00 -0.05 C \nATOM 2445 CE LYS A 271 -6.043 -6.576 4.045 1.00 -0.01 C \nATOM 2446 NZ LYS A 271 -6.253 -5.211 4.565 1.00 -0.39 N \nATOM 2447 HA LYS A 271 -4.763 -10.401 4.324 1.00 0.14 H \nATOM 2448 HB2 LYS A 271 -2.508 -8.608 4.115 1.00 0.04 H \nATOM 2449 HB3 LYS A 271 -2.770 -9.407 2.527 1.00 0.04 H \nATOM 2450 HG2 LYS A 271 -4.171 -7.671 2.237 1.00 0.01 H \nATOM 2451 HG3 LYS A 271 -5.305 -8.768 3.095 1.00 0.01 H \nATOM 2452 HD2 LYS A 271 -4.519 -7.544 5.244 1.00 0.06 H \nATOM 2453 HD3 LYS A 271 -3.895 -6.294 4.116 1.00 0.06 H \nATOM 2454 HE2 LYS A 271 -6.266 -6.573 2.968 1.00 0.11 H \nATOM 2455 HE3 LYS A 271 -6.739 -7.253 4.562 1.00 0.11 H \nATOM 2456 HZ1 LYS A 271 -5.624 -4.574 4.101 1.00 0.34 H \nATOM 2457 HZ2 LYS A 271 -7.205 -4.928 4.392 1.00 0.34 H \nATOM 2458 HZ3 LYS A 271 -6.073 -5.198 5.557 1.00 0.34 H \nATOM 2459 H LYS A 271 -2.055 -10.657 5.549 1.00 0.27 H \nATOM 2460 N ILE A 272 -4.236 -12.522 3.121 1.00 -0.42 N \nATOM 2461 CA ILE A 272 -3.972 -13.700 2.310 1.00 -0.06 C \nATOM 2462 C ILE A 272 -3.802 -13.298 0.842 1.00 0.60 C \nATOM 2463 O ILE A 272 -4.712 -12.744 0.234 1.00 -0.57 O \nATOM 2464 CB ILE A 272 -5.106 -14.726 2.424 1.00 0.13 C \nATOM 2465 CG1 ILE A 272 -5.307 -15.138 3.882 1.00 -0.04 C \nATOM 2466 CG2 ILE A 272 -4.819 -15.945 1.543 1.00 -0.32 C \nATOM 2467 CD1 ILE A 272 -6.547 -15.956 4.105 1.00 -0.07 C \nATOM 2468 HA ILE A 272 -3.040 -14.165 2.663 1.00 0.09 H \nATOM 2469 HB ILE A 272 -6.035 -14.256 2.068 1.00 0.02 H \nATOM 2470 HG12 ILE A 272 -4.436 -15.730 4.200 1.00 0.02 H \nATOM 2471 HG13 ILE A 272 -5.375 -14.228 4.496 1.00 0.02 H \nATOM 2472 HD11 ILE A 272 -6.496 -16.872 3.498 1.00 0.02 H \nATOM 2473 HD12 ILE A 272 -6.623 -16.225 5.169 1.00 0.02 H \nATOM 2474 HD13 ILE A 272 -7.430 -15.370 3.811 1.00 0.02 H \nATOM 2475 HG21 ILE A 272 -3.873 -16.410 1.857 1.00 0.09 H \nATOM 2476 HG22 ILE A 272 -5.637 -16.673 1.646 1.00 0.09 H \nATOM 2477 HG23 ILE A 272 -4.741 -15.628 0.493 1.00 0.09 H \nATOM 2478 H ILE A 272 -5.155 -12.367 3.483 1.00 0.27 H \nATOM 2479 N ALA A 273 -2.629 -13.570 0.282 1.00 -0.42 N \nATOM 2480 CA ALA A 273 -2.324 -13.174 -1.086 1.00 0.03 C \nATOM 2481 C ALA A 273 -3.029 -14.067 -2.092 1.00 0.60 C \nATOM 2482 O ALA A 273 -3.378 -15.204 -1.788 1.00 -0.57 O \nATOM 2483 CB ALA A 273 -0.821 -13.177 -1.323 1.00 -0.18 C \nATOM 2484 HA ALA A 273 -2.690 -12.147 -1.231 1.00 0.08 H \nATOM 2485 HB1 ALA A 273 -0.613 -12.876 -2.360 1.00 0.06 H \nATOM 2486 HB2 ALA A 273 -0.339 -12.470 -0.632 1.00 0.06 H \nATOM 2487 HB3 ALA A 273 -0.424 -14.188 -1.148 1.00 0.06 H \nATOM 2488 H ALA A 273 -1.937 -14.059 0.813 1.00 0.27 H \nATOM 2489 N ASP A 274 -3.235 -13.539 -3.292 1.00 -0.52 N \nATOM 2490 CA ASP A 274 -3.922 -14.267 -4.352 1.00 0.04 C \nATOM 2491 C ASP A 274 -2.923 -14.751 -5.403 1.00 0.54 C \nATOM 2492 O ASP A 274 -1.831 -14.187 -5.533 1.00 -0.58 O \nATOM 2493 CB ASP A 274 -4.965 -13.357 -5.013 1.00 -0.03 C \nATOM 2494 CG ASP A 274 -5.811 -12.594 -3.994 1.00 0.80 C \nATOM 2495 OD1 ASP A 274 -6.008 -11.367 -4.179 1.00 -0.80 O \nATOM 2496 OD2 ASP A 274 -6.275 -13.218 -3.006 1.00 -0.80 O \nATOM 2497 HA ASP A 274 -4.431 -15.139 -3.915 1.00 0.09 H \nATOM 2498 HB2 ASP A 274 -4.443 -12.630 -5.652 1.00 -0.01 H \nATOM 2499 HB3 ASP A 274 -5.632 -13.976 -5.631 1.00 -0.01 H \nATOM 2500 H ASP A 274 -2.908 -12.612 -3.475 1.00 0.29 H \nATOM 2501 N PHE A 275 -3.296 -15.793 -6.147 1.00 -0.42 N \nATOM 2502 CA PHE A 275 -2.502 -16.247 -7.295 1.00 -0.00 C \nATOM 2503 C PHE A 275 -1.057 -16.614 -6.932 1.00 0.60 C \nATOM 2504 O PHE A 275 -0.120 -16.222 -7.633 1.00 -0.57 O \nATOM 2505 CB PHE A 275 -2.495 -15.177 -8.404 1.00 -0.03 C \nATOM 2506 CG PHE A 275 -3.827 -14.511 -8.620 1.00 0.01 C \nATOM 2507 CD1 PHE A 275 -4.016 -13.179 -8.277 1.00 -0.13 C \nATOM 2508 CD2 PHE A 275 -4.895 -15.219 -9.150 1.00 -0.13 C \nATOM 2509 CE1 PHE A 275 -5.241 -12.562 -8.464 1.00 -0.17 C \nATOM 2510 CE2 PHE A 275 -6.128 -14.612 -9.337 1.00 -0.17 C \nATOM 2511 CZ PHE A 275 -6.303 -13.280 -8.996 1.00 -0.11 C \nATOM 2512 HA PHE A 275 -2.986 -17.151 -7.693 1.00 0.10 H \nATOM 2513 HB2 PHE A 275 -1.761 -14.403 -8.134 1.00 0.03 H \nATOM 2514 HB3 PHE A 275 -2.192 -15.657 -9.346 1.00 0.03 H \nATOM 2515 HD2 PHE A 275 -4.765 -16.260 -9.422 1.00 0.13 H \nATOM 2516 HE2 PHE A 275 -6.955 -15.179 -9.750 1.00 0.14 H \nATOM 2517 HZ PHE A 275 -7.264 -12.802 -9.144 1.00 0.13 H \nATOM 2518 HE1 PHE A 275 -5.371 -11.520 -8.195 1.00 0.14 H \nATOM 2519 HD1 PHE A 275 -3.192 -12.614 -7.857 1.00 0.13 H \nATOM 2520 H PHE A 275 -4.139 -16.278 -5.917 1.00 0.27 H \nATOM 2521 N GLY A 276 -0.882 -17.360 -5.841 1.00 -0.42 N \nATOM 2522 CA GLY A 276 0.441 -17.732 -5.358 1.00 -0.03 C \nATOM 2523 C GLY A 276 1.285 -18.533 -6.346 1.00 0.60 C \nATOM 2524 O GLY A 276 2.515 -18.566 -6.244 1.00 -0.57 O \nATOM 2525 HA3 GLY A 276 0.987 -16.809 -5.112 1.00 0.07 H \nATOM 2526 HA2 GLY A 276 0.315 -18.337 -4.448 1.00 0.07 H \nATOM 2527 H GLY A 276 -1.686 -17.675 -5.337 1.00 0.27 H \nATOM 2528 N TRP A 277 0.624 -19.176 -7.304 1.00 -0.42 N \nATOM 2529 CA TRP A 277 1.309 -19.970 -8.318 1.00 -0.03 C \nATOM 2530 C TRP A 277 2.072 -19.101 -9.297 1.00 0.60 C \nATOM 2531 O TRP A 277 2.943 -19.593 -10.019 1.00 -0.57 O \nATOM 2532 CB TRP A 277 0.308 -20.823 -9.100 1.00 -0.01 C \nATOM 2533 CG TRP A 277 -0.857 -20.038 -9.612 1.00 -0.14 C \nATOM 2534 CD1 TRP A 277 -2.081 -19.910 -9.020 1.00 -0.16 C \nATOM 2535 CD2 TRP A 277 -0.908 -19.257 -10.812 1.00 0.12 C \nATOM 2536 NE1 TRP A 277 -2.892 -19.105 -9.779 1.00 -0.34 N \nATOM 2537 CE2 TRP A 277 -2.198 -18.690 -10.885 1.00 0.14 C \nATOM 2538 CE3 TRP A 277 0.010 -18.983 -11.833 1.00 -0.24 C \nATOM 2539 CZ2 TRP A 277 -2.594 -17.863 -11.939 1.00 -0.26 C \nATOM 2540 CZ3 TRP A 277 -0.385 -18.161 -12.880 1.00 -0.20 C \nATOM 2541 CH2 TRP A 277 -1.675 -17.611 -12.925 1.00 -0.11 C \nATOM 2542 HA TRP A 277 2.022 -20.635 -7.810 1.00 0.11 H \nATOM 2543 HB2 TRP A 277 0.828 -21.276 -9.957 1.00 0.03 H \nATOM 2544 HB3 TRP A 277 -0.068 -21.617 -8.438 1.00 0.03 H \nATOM 2545 HE1 TRP A 277 -3.865 -18.853 -9.554 1.00 0.34 H \nATOM 2546 HD1 TRP A 277 -2.371 -20.379 -8.081 1.00 0.21 H \nATOM 2547 HZ2 TRP A 277 -3.590 -17.437 -11.976 1.00 0.16 H \nATOM 2548 HH2 TRP A 277 -1.951 -16.973 -13.757 1.00 0.14 H \nATOM 2549 HZ3 TRP A 277 0.316 -17.940 -13.677 1.00 0.14 H \nATOM 2550 HE3 TRP A 277 1.009 -19.404 -11.807 1.00 0.17 H \nATOM 2551 H TRP A 277 -0.374 -19.113 -7.330 1.00 0.27 H \nATOM 2552 N SER A 278 1.741 -17.815 -9.347 1.00 -0.42 N \nATOM 2553 CA SER A 278 2.363 -16.941 -10.334 1.00 -0.02 C \nATOM 2554 C SER A 278 3.663 -16.319 -9.824 1.00 0.60 C \nATOM 2555 O SER A 278 4.349 -15.616 -10.562 1.00 -0.57 O \nATOM 2556 CB SER A 278 1.387 -15.861 -10.811 1.00 0.21 C \nATOM 2557 OG SER A 278 1.169 -14.888 -9.808 1.00 -0.65 O \nATOM 2558 HA SER A 278 2.619 -17.563 -11.204 1.00 0.08 H \nATOM 2559 HB2 SER A 278 1.804 -15.370 -11.703 1.00 0.04 H \nATOM 2560 HB3 SER A 278 0.427 -16.333 -11.067 1.00 0.04 H \nATOM 2561 HG SER A 278 0.562 -14.232 -10.130 1.00 0.43 H \nATOM 2562 H SER A 278 1.066 -17.447 -8.708 1.00 0.27 H \nATOM 2563 N VAL A 279 4.009 -16.594 -8.571 1.00 -0.42 N \nATOM 2564 CA VAL A 279 5.220 -16.032 -7.979 1.00 -0.09 C \nATOM 2565 C VAL A 279 6.185 -17.134 -7.536 1.00 0.60 C \nATOM 2566 O VAL A 279 5.766 -18.244 -7.228 1.00 -0.57 O \nATOM 2567 CB VAL A 279 4.874 -15.125 -6.777 1.00 0.30 C \nATOM 2568 CG1 VAL A 279 6.122 -14.465 -6.225 1.00 -0.32 C \nATOM 2569 CG2 VAL A 279 3.863 -14.067 -7.191 1.00 -0.32 C \nATOM 2570 HA VAL A 279 5.722 -15.420 -8.743 1.00 0.10 H \nATOM 2571 HB VAL A 279 4.429 -15.747 -5.987 1.00 -0.03 H \nATOM 2572 HG11 VAL A 279 6.596 -13.860 -7.012 1.00 0.08 H \nATOM 2573 HG12 VAL A 279 5.850 -13.817 -5.378 1.00 0.08 H \nATOM 2574 HG13 VAL A 279 6.826 -15.239 -5.884 1.00 0.08 H \nATOM 2575 HG21 VAL A 279 2.949 -14.557 -7.558 1.00 0.08 H \nATOM 2576 HG22 VAL A 279 3.618 -13.435 -6.325 1.00 0.08 H \nATOM 2577 HG23 VAL A 279 4.291 -13.444 -7.990 1.00 0.08 H \nATOM 2578 H VAL A 279 3.429 -17.197 -8.023 1.00 0.27 H \nATOM 2579 N HIS A 280 7.481 -16.843 -7.529 1.00 -0.42 N \nATOM 2580 CA HIS A 280 8.457 -17.814 -7.041 1.00 0.02 C \nATOM 2581 C HIS A 280 8.603 -17.740 -5.525 1.00 0.60 C \nATOM 2582 O HIS A 280 8.456 -16.673 -4.926 1.00 -0.57 O \nATOM 2583 CB HIS A 280 9.826 -17.625 -7.702 1.00 -0.05 C \nATOM 2584 CG HIS A 280 9.999 -18.396 -8.975 1.00 -0.03 C \nATOM 2585 ND1 HIS A 280 9.957 -19.773 -9.023 1.00 -0.38 N \nATOM 2586 CD2 HIS A 280 10.231 -17.982 -10.244 1.00 0.13 C \nATOM 2587 CE1 HIS A 280 10.142 -20.174 -10.268 1.00 0.21 C \nATOM 2588 NE2 HIS A 280 10.311 -19.106 -11.029 1.00 -0.57 N \nATOM 2589 HA HIS A 280 8.089 -18.818 -7.301 1.00 0.09 H \nATOM 2590 HB2 HIS A 280 9.958 -16.556 -7.924 1.00 0.04 H \nATOM 2591 HB3 HIS A 280 10.601 -17.951 -6.992 1.00 0.04 H \nATOM 2592 HD2 HIS A 280 10.335 -16.951 -10.579 1.00 0.11 H \nATOM 2593 HE1 HIS A 280 10.153 -21.208 -10.609 1.00 0.14 H \nATOM 2594 HD1 HIS A 280 9.805 -20.393 -8.214 1.00 0.36 H \nATOM 2595 H HIS A 280 7.791 -15.952 -7.861 1.00 0.27 H \nATOM 2596 N ALA A 281 8.896 -18.884 -4.916 1.00 -0.42 N \nATOM 2597 CA ALA A 281 9.102 -18.969 -3.482 1.00 0.03 C \nATOM 2598 C ALA A 281 10.306 -18.103 -3.135 1.00 0.60 C \nATOM 2599 O ALA A 281 11.256 -18.026 -3.907 1.00 -0.57 O \nATOM 2600 CB ALA A 281 9.355 -20.413 -3.079 1.00 -0.18 C \nATOM 2601 HA ALA A 281 8.212 -18.595 -2.955 1.00 0.08 H \nATOM 2602 HB1 ALA A 281 9.510 -20.468 -1.991 1.00 0.06 H \nATOM 2603 HB2 ALA A 281 8.487 -21.029 -3.357 1.00 0.06 H \nATOM 2604 HB3 ALA A 281 10.251 -20.787 -3.597 1.00 0.06 H \nATOM 2605 H ALA A 281 8.977 -19.716 -5.465 1.00 0.27 H \nATOM 2606 N PRO A 282 10.268 -17.428 -1.980 1.00 -0.25 N \nATOM 2607 CA PRO A 282 11.431 -16.614 -1.601 1.00 -0.03 C \nATOM 2608 C PRO A 282 12.711 -17.455 -1.525 1.00 0.59 C \nATOM 2609 O PRO A 282 12.701 -18.565 -0.981 1.00 -0.57 O \nATOM 2610 CB PRO A 282 11.049 -16.079 -0.218 1.00 -0.01 C \nATOM 2611 CG PRO A 282 9.555 -16.115 -0.198 1.00 0.02 C \nATOM 2612 CD PRO A 282 9.167 -17.319 -1.010 1.00 0.02 C \nATOM 2613 HA PRO A 282 11.579 -15.790 -2.314 1.00 0.06 H \nATOM 2614 HD3 PRO A 282 8.205 -17.160 -1.519 1.00 0.04 H \nATOM 2615 HD2 PRO A 282 9.104 -18.218 -0.380 1.00 0.04 H \nATOM 2616 HG3 PRO A 282 9.143 -15.200 -0.648 1.00 0.02 H \nATOM 2617 HG2 PRO A 282 9.187 -16.214 0.834 1.00 0.02 H \nATOM 2618 HB2 PRO A 282 11.463 -16.720 0.574 1.00 0.03 H \nATOM 2619 HB3 PRO A 282 11.414 -15.050 -0.085 1.00 0.03 H \nATOM 2620 N SER A 283 13.799 -16.925 -2.078 1.00 -0.42 N \nATOM 2621 CA SER A 283 15.078 -17.636 -2.104 1.00 -0.02 C \nATOM 2622 C SER A 283 15.569 -17.924 -0.691 1.00 0.60 C \nATOM 2623 O SER A 283 15.974 -19.041 -0.377 1.00 -0.57 O \nATOM 2624 CB SER A 283 16.132 -16.822 -2.865 1.00 0.21 C \nATOM 2625 OG SER A 283 16.548 -15.685 -2.118 1.00 -0.65 O \nATOM 2626 HA SER A 283 14.932 -18.594 -2.625 1.00 0.08 H \nATOM 2627 HB2 SER A 283 17.006 -17.461 -3.060 1.00 0.04 H \nATOM 2628 HB3 SER A 283 15.703 -16.485 -3.820 1.00 0.04 H \nATOM 2629 HG SER A 283 17.199 -15.202 -2.613 1.00 0.43 H \nATOM 2630 H SER A 283 13.741 -16.015 -2.488 1.00 0.27 H \nATOM 2631 N SER A 284 15.527 -16.896 0.150 1.00 -0.42 N \nATOM 2632 CA SER A 284 15.929 -17.006 1.543 1.00 -0.02 C \nATOM 2633 C SER A 284 15.078 -18.037 2.270 1.00 0.60 C \nATOM 2634 O SER A 284 15.422 -18.493 3.362 1.00 -0.57 O \nATOM 2635 CB SER A 284 15.781 -15.650 2.232 1.00 0.21 C \nATOM 2636 OG SER A 284 14.473 -15.134 2.053 1.00 -0.65 O \nATOM 2637 HA SER A 284 16.983 -17.319 1.585 1.00 0.08 H \nATOM 2638 HB2 SER A 284 15.978 -15.769 3.308 1.00 0.04 H \nATOM 2639 HB3 SER A 284 16.508 -14.946 1.802 1.00 0.04 H \nATOM 2640 HG SER A 284 14.402 -14.292 2.488 1.00 0.43 H \nATOM 2641 H SER A 284 15.206 -16.011 -0.189 1.00 0.27 H \nATOM 2642 N ARG A 285 13.960 -18.401 1.658 1.00 -0.35 N \nATOM 2643 CA ARG A 285 13.021 -19.303 2.300 1.00 -0.26 C \nATOM 2644 C ARG A 285 13.085 -20.708 1.740 1.00 0.73 C \nATOM 2645 O ARG A 285 13.928 -21.041 0.903 1.00 -0.59 O \nATOM 2646 CB ARG A 285 11.589 -18.784 2.144 1.00 -0.00 C \nATOM 2647 CG ARG A 285 11.287 -17.550 2.962 1.00 0.04 C \nATOM 2648 CD ARG A 285 11.080 -17.894 4.415 1.00 0.05 C \nATOM 2649 NE ARG A 285 9.824 -18.602 4.634 1.00 -0.53 N \nATOM 2650 CZ ARG A 285 9.355 -18.910 5.840 1.00 0.81 C \nATOM 2651 NH1 ARG A 285 10.040 -18.566 6.927 1.00 -0.86 N \nATOM 2652 NH2 ARG A 285 8.203 -19.557 5.964 1.00 -0.86 N \nATOM 2653 HA ARG A 285 13.269 -19.345 3.371 1.00 0.16 H \nATOM 2654 HB2 ARG A 285 11.422 -18.545 1.083 1.00 0.03 H \nATOM 2655 HB3 ARG A 285 10.897 -19.581 2.453 1.00 0.03 H \nATOM 2656 HG2 ARG A 285 12.130 -16.848 2.876 1.00 0.03 H \nATOM 2657 HG3 ARG A 285 10.374 -17.076 2.572 1.00 0.03 H \nATOM 2658 HD2 ARG A 285 11.911 -18.532 4.751 1.00 0.07 H \nATOM 2659 HD3 ARG A 285 11.071 -16.964 5.003 1.00 0.07 H \nATOM 2660 HE ARG A 285 9.270 -18.878 3.811 1.00 0.35 H \nATOM 2661 HH12 ARG A 285 9.677 -18.804 7.861 1.00 0.45 H \nATOM 2662 HH11 ARG A 285 10.933 -18.061 6.835 1.00 0.45 H \nATOM 2663 HH22 ARG A 285 7.843 -19.794 6.900 1.00 0.45 H \nATOM 2664 HH21 ARG A 285 7.669 -19.823 5.125 1.00 0.45 H \nATOM 2665 H ARG A 285 13.761 -18.050 0.743 1.00 0.27 H \nATOM 2666 N ARG A 286 12.167 -21.523 2.237 1.00 -0.35 N \nATOM 2667 CA ARG A 286 11.875 -22.823 1.680 1.00 -0.26 C \nATOM 2668 C ARG A 286 11.533 -22.685 0.199 1.00 0.73 C \nATOM 2669 O ARG A 286 10.878 -21.730 -0.231 1.00 -0.59 O \nATOM 2670 CB ARG A 286 10.679 -23.408 2.423 1.00 -0.00 C \nATOM 2671 CG ARG A 286 9.536 -22.404 2.561 1.00 0.04 C \nATOM 2672 CD ARG A 286 8.261 -23.066 3.031 1.00 0.05 C \nATOM 2673 NE ARG A 286 8.371 -23.493 4.416 1.00 -0.53 N \nATOM 2674 CZ ARG A 286 7.681 -22.959 5.413 1.00 0.81 C \nATOM 2675 NH1 ARG A 286 6.804 -21.992 5.176 1.00 -0.86 N \nATOM 2676 NH2 ARG A 286 7.857 -23.409 6.644 1.00 -0.86 N \nATOM 2677 HA ARG A 286 12.747 -23.483 1.797 1.00 0.16 H \nATOM 2678 HB2 ARG A 286 10.314 -24.286 1.870 1.00 0.03 H \nATOM 2679 HB3 ARG A 286 11.003 -23.716 3.428 1.00 0.03 H \nATOM 2680 HG2 ARG A 286 9.826 -21.632 3.289 1.00 0.03 H \nATOM 2681 HG3 ARG A 286 9.354 -21.935 1.583 1.00 0.03 H \nATOM 2682 HD2 ARG A 286 7.431 -22.350 2.941 1.00 0.07 H \nATOM 2683 HD3 ARG A 286 8.059 -23.944 2.400 1.00 0.07 H \nATOM 2684 HE ARG A 286 9.025 -24.257 4.636 1.00 0.35 H \nATOM 2685 HH12 ARG A 286 6.270 -21.579 5.954 1.00 0.45 H \nATOM 2686 HH11 ARG A 286 6.658 -21.654 4.214 1.00 0.45 H \nATOM 2687 HH22 ARG A 286 7.324 -22.998 7.424 1.00 0.45 H \nATOM 2688 HH21 ARG A 286 8.527 -24.170 6.823 1.00 0.45 H \nATOM 2689 H ARG A 286 11.650 -21.223 3.039 1.00 0.27 H \nHETATM 2690 N TPO A 287 11.976 -23.656 -0.579 1.00 0.00 N \nHETATM 2691 CA TPO A 287 11.625 -23.707 -2.013 1.00 0.00 C \nHETATM 2692 C TPO A 287 10.197 -24.155 -2.225 1.00 0.00 C \nHETATM 2693 O TPO A 287 9.590 -24.742 -1.331 1.00 0.00 O \nHETATM 2694 CB TPO A 287 12.633 -24.668 -2.600 1.00 0.00 C \nHETATM 2695 OG1 TPO A 287 12.016 -25.326 -3.686 1.00 0.00 O \nHETATM 2696 P TPO A 287 12.256 -26.899 -3.844 1.00 0.00 P \nHETATM 2697 O3P TPO A 287 11.409 -27.204 -5.054 1.00 0.00 O \nHETATM 2698 O2P TPO A 287 11.745 -27.485 -2.550 1.00 0.00 O \nHETATM 2699 O1P TPO A 287 13.753 -27.004 -4.033 1.00 0.00 O \nHETATM 2700 CG2 TPO A 287 13.872 -23.915 -3.067 1.00 0.00 C \nHETATM 2701 N TPO A 288 9.647 -23.888 -3.410 1.00 0.00 N \nHETATM 2702 CA TPO A 288 8.190 -24.123 -3.678 1.00 0.00 C \nHETATM 2703 C TPO A 288 7.677 -25.478 -3.282 1.00 0.00 C \nHETATM 2704 O TPO A 288 6.661 -25.597 -2.599 1.00 0.00 O \nHETATM 2705 CB TPO A 288 7.857 -23.940 -5.150 1.00 0.00 C \nHETATM 2706 OG1 TPO A 288 8.033 -22.583 -5.524 1.00 0.00 O \nHETATM 2707 P TPO A 288 9.071 -22.211 -6.689 1.00 0.00 P \nHETATM 2708 O3P TPO A 288 8.970 -20.718 -6.807 1.00 0.00 O \nHETATM 2709 O2P TPO A 288 8.556 -22.959 -7.897 1.00 0.00 O \nHETATM 2710 O1P TPO A 288 10.408 -22.675 -6.150 1.00 0.00 O \nHETATM 2711 CG2 TPO A 288 6.400 -24.304 -5.383 1.00 0.00 C \nATOM 2712 N LEU A 289 8.362 -26.522 -3.732 1.00 -0.42 N \nATOM 2713 CA LEU A 289 7.915 -27.881 -3.474 1.00 -0.05 C \nATOM 2714 C LEU A 289 7.957 -28.194 -1.983 1.00 0.60 C \nATOM 2715 O LEU A 289 6.988 -28.694 -1.416 1.00 -0.57 O \nATOM 2716 CB LEU A 289 8.777 -28.879 -4.239 1.00 -0.11 C \nATOM 2717 CG LEU A 289 8.168 -30.274 -4.325 1.00 0.35 C \nATOM 2718 CD1 LEU A 289 6.880 -30.217 -5.128 1.00 -0.41 C \nATOM 2719 CD2 LEU A 289 9.156 -31.251 -4.938 1.00 -0.41 C \nATOM 2720 HA LEU A 289 6.876 -27.977 -3.821 1.00 0.09 H \nATOM 2721 HB2 LEU A 289 8.923 -28.500 -5.261 1.00 0.05 H \nATOM 2722 HB3 LEU A 289 9.751 -28.956 -3.734 1.00 0.05 H \nATOM 2723 HG LEU A 289 7.930 -30.617 -3.307 1.00 -0.04 H \nATOM 2724 HD21 LEU A 289 10.066 -31.288 -4.321 1.00 0.10 H \nATOM 2725 HD22 LEU A 289 8.702 -32.252 -4.982 1.00 0.10 H \nATOM 2726 HD23 LEU A 289 9.415 -30.921 -5.955 1.00 0.10 H \nATOM 2727 HD11 LEU A 289 7.094 -29.839 -6.138 1.00 0.10 H \nATOM 2728 HD12 LEU A 289 6.447 -31.226 -5.198 1.00 0.10 H \nATOM 2729 HD13 LEU A 289 6.166 -29.545 -4.629 1.00 0.10 H \nATOM 2730 H LEU A 289 9.199 -26.371 -4.257 1.00 0.27 H \nTER 2731 LEU A 289 \nATOM 2732 N GLY A 291 8.045 -26.055 0.513 1.00 -0.82 N \nATOM 2733 CA GLY A 291 7.075 -25.187 1.148 1.00 0.04 C \nATOM 2734 C GLY A 291 5.671 -25.749 1.116 1.00 0.62 C \nATOM 2735 O GLY A 291 4.960 -25.735 2.124 1.00 -0.50 O \nATOM 2736 HA3 GLY A 291 7.370 -25.040 2.197 1.00 0.03 H \nATOM 2737 HA2 GLY A 291 7.077 -24.218 0.627 1.00 0.03 H \nATOM 2738 H GLY A 291 7.752 -26.924 0.113 1.00 0.30 H \nATOM 2739 HNCA GLY A 291 9.026 -25.780 0.474 1.00 0.30 H \nATOM 2740 N THR A 292 5.275 -26.259 -0.045 1.00 -0.42 N \nATOM 2741 CA THR A 292 3.928 -26.786 -0.223 1.00 -0.04 C \nATOM 2742 C THR A 292 3.706 -28.097 0.541 1.00 0.60 C \nATOM 2743 O THR A 292 2.669 -28.285 1.176 1.00 -0.57 O \nATOM 2744 CB THR A 292 3.601 -26.972 -1.713 1.00 0.37 C \nATOM 2745 OG1 THR A 292 3.629 -25.695 -2.361 1.00 -0.68 O \nATOM 2746 CG2 THR A 292 2.219 -27.587 -1.886 1.00 -0.24 C \nATOM 2747 HA THR A 292 3.227 -26.042 0.185 1.00 0.10 H \nATOM 2748 HB THR A 292 4.352 -27.633 -2.169 1.00 0.00 H \nATOM 2749 HG1 THR A 292 3.427 -25.803 -3.283 1.00 0.41 H \nATOM 2750 HG23 THR A 292 2.318 -28.670 -2.054 1.00 0.06 H \nATOM 2751 HG21 THR A 292 1.623 -27.410 -0.979 1.00 0.06 H \nATOM 2752 HG22 THR A 292 1.718 -27.126 -2.750 1.00 0.06 H \nATOM 2753 H THR A 292 5.915 -26.282 -0.813 1.00 0.27 H \nATOM 2754 N LEU A 293 4.683 -28.995 0.480 1.00 -0.42 N \nATOM 2755 CA LEU A 293 4.615 -30.259 1.202 1.00 -0.05 C \nATOM 2756 C LEU A 293 4.444 -30.028 2.709 1.00 0.60 C \nATOM 2757 O LEU A 293 3.615 -30.676 3.358 1.00 -0.57 O \nATOM 2758 CB LEU A 293 5.878 -31.078 0.941 1.00 -0.11 C \nATOM 2759 CG LEU A 293 5.958 -32.430 1.651 1.00 0.35 C \nATOM 2760 CD1 LEU A 293 4.826 -33.343 1.188 1.00 -0.41 C \nATOM 2761 CD2 LEU A 293 7.316 -33.072 1.407 1.00 -0.41 C \nATOM 2762 HA LEU A 293 3.746 -30.824 0.835 1.00 0.09 H \nATOM 2763 HB2 LEU A 293 5.942 -31.262 -0.142 1.00 0.05 H \nATOM 2764 HB3 LEU A 293 6.741 -30.477 1.263 1.00 0.05 H \nATOM 2765 HG LEU A 293 5.845 -32.262 2.732 1.00 -0.04 H \nATOM 2766 HD21 LEU A 293 8.108 -32.409 1.786 1.00 0.10 H \nATOM 2767 HD22 LEU A 293 7.364 -34.038 1.931 1.00 0.10 H \nATOM 2768 HD23 LEU A 293 7.457 -33.233 0.328 1.00 0.10 H \nATOM 2769 HD11 LEU A 293 4.899 -33.495 0.101 1.00 0.10 H \nATOM 2770 HD12 LEU A 293 4.905 -34.313 1.700 1.00 0.10 H \nATOM 2771 HD13 LEU A 293 3.858 -32.878 1.429 1.00 0.10 H \nATOM 2772 H LEU A 293 5.489 -28.798 -0.078 1.00 0.27 H \nATOM 2773 N ASP A 294 5.233 -29.100 3.251 1.00 -0.52 N \nATOM 2774 CA ASP A 294 5.189 -28.752 4.670 1.00 0.04 C \nATOM 2775 C ASP A 294 3.775 -28.506 5.190 1.00 0.54 C \nATOM 2776 O ASP A 294 3.515 -28.676 6.383 1.00 -0.58 O \nATOM 2777 CB ASP A 294 6.041 -27.505 4.946 1.00 -0.03 C \nATOM 2778 CG ASP A 294 7.484 -27.837 5.282 1.00 0.80 C \nATOM 2779 OD1 ASP A 294 8.376 -27.020 4.957 1.00 -0.80 O \nATOM 2780 OD2 ASP A 294 7.728 -28.909 5.875 1.00 -0.80 O \nATOM 2781 HA ASP A 294 5.614 -29.596 5.232 1.00 0.09 H \nATOM 2782 HB2 ASP A 294 6.027 -26.866 4.051 1.00 -0.01 H \nATOM 2783 HB3 ASP A 294 5.600 -26.959 5.793 1.00 -0.01 H \nATOM 2784 H ASP A 294 5.883 -28.621 2.661 1.00 0.29 H \nATOM 2785 N TYR A 295 2.868 -28.109 4.300 1.00 -0.42 N \nATOM 2786 CA TYR A 295 1.528 -27.699 4.711 1.00 -0.00 C \nATOM 2787 C TYR A 295 0.410 -28.608 4.217 1.00 0.60 C \nATOM 2788 O TYR A 295 -0.770 -28.302 4.394 1.00 -0.57 O \nATOM 2789 CB TYR A 295 1.261 -26.258 4.274 1.00 -0.02 C \nATOM 2790 CG TYR A 295 1.812 -25.260 5.244 1.00 -0.00 C \nATOM 2791 CD1 TYR A 295 3.180 -25.037 5.334 1.00 -0.19 C \nATOM 2792 CD2 TYR A 295 0.971 -24.557 6.095 1.00 -0.19 C \nATOM 2793 CE1 TYR A 295 3.697 -24.132 6.238 1.00 -0.23 C \nATOM 2794 CE2 TYR A 295 1.476 -23.649 7.001 1.00 -0.23 C \nATOM 2795 CZ TYR A 295 2.839 -23.443 7.072 1.00 0.32 C \nATOM 2796 OH TYR A 295 3.343 -22.533 7.978 1.00 -0.56 O \nATOM 2797 HA TYR A 295 1.505 -27.729 5.810 1.00 0.09 H \nATOM 2798 HB3 TYR A 295 1.729 -26.093 3.292 1.00 0.03 H \nATOM 2799 HB2 TYR A 295 0.174 -26.109 4.192 1.00 0.03 H \nATOM 2800 HD2 TYR A 295 -0.099 -24.724 6.047 1.00 0.17 H \nATOM 2801 HE2 TYR A 295 0.807 -23.100 7.654 1.00 0.17 H \nATOM 2802 HE1 TYR A 295 4.766 -23.964 6.293 1.00 0.17 H \nATOM 2803 HD1 TYR A 295 3.853 -25.583 4.683 1.00 0.17 H \nATOM 2804 HH TYR A 295 4.290 -22.505 7.905 1.00 0.40 H \nATOM 2805 H TYR A 295 3.109 -28.091 3.330 1.00 0.27 H \nATOM 2806 N LEU A 296 0.775 -29.721 3.597 1.00 -0.42 N \nATOM 2807 CA LEU A 296 -0.224 -30.634 3.050 1.00 -0.05 C \nATOM 2808 C LEU A 296 -0.789 -31.556 4.123 1.00 0.60 C \nATOM 2809 O LEU A 296 -0.035 -32.158 4.891 1.00 -0.57 O \nATOM 2810 CB LEU A 296 0.374 -31.477 1.922 1.00 -0.11 C \nATOM 2811 CG LEU A 296 0.748 -30.752 0.629 1.00 0.35 C \nATOM 2812 CD1 LEU A 296 1.118 -31.781 -0.426 1.00 -0.41 C \nATOM 2813 CD2 LEU A 296 -0.385 -29.847 0.135 1.00 -0.41 C \nATOM 2814 HA LEU A 296 -1.049 -30.033 2.639 1.00 0.09 H \nATOM 2815 HB2 LEU A 296 1.287 -31.951 2.312 1.00 0.05 H \nATOM 2816 HB3 LEU A 296 -0.361 -32.254 1.665 1.00 0.05 H \nATOM 2817 HG LEU A 296 1.627 -30.121 0.827 1.00 -0.04 H \nATOM 2818 HD21 LEU A 296 -0.618 -29.097 0.906 1.00 0.10 H \nATOM 2819 HD22 LEU A 296 -0.072 -29.338 -0.789 1.00 0.10 H \nATOM 2820 HD23 LEU A 296 -1.279 -30.456 -0.067 1.00 0.10 H \nATOM 2821 HD11 LEU A 296 0.263 -32.451 -0.600 1.00 0.10 H \nATOM 2822 HD12 LEU A 296 1.379 -31.268 -1.363 1.00 0.10 H \nATOM 2823 HD13 LEU A 296 1.980 -32.369 -0.078 1.00 0.10 H \nATOM 2824 H LEU A 296 1.747 -29.938 3.503 1.00 0.27 H \nATOM 2825 N PRO A 297 -2.121 -31.684 4.164 1.00 -0.25 N \nATOM 2826 CA PRO A 297 -2.786 -32.576 5.117 1.00 -0.03 C \nATOM 2827 C PRO A 297 -2.465 -34.022 4.760 1.00 0.59 C \nATOM 2828 O PRO A 297 -2.093 -34.301 3.620 1.00 -0.57 O \nATOM 2829 CB PRO A 297 -4.281 -32.306 4.884 1.00 -0.01 C \nATOM 2830 CG PRO A 297 -4.354 -31.145 3.923 1.00 0.02 C \nATOM 2831 CD PRO A 297 -3.062 -31.119 3.185 1.00 0.02 C \nATOM 2832 HA PRO A 297 -2.490 -32.359 6.154 1.00 0.06 H \nATOM 2833 HD3 PRO A 297 -2.781 -30.091 2.912 1.00 0.04 H \nATOM 2834 HD2 PRO A 297 -3.111 -31.739 2.278 1.00 0.04 H \nATOM 2835 HG3 PRO A 297 -4.494 -30.204 4.475 1.00 0.02 H \nATOM 2836 HG2 PRO A 297 -5.189 -31.286 3.221 1.00 0.02 H \nATOM 2837 HB2 PRO A 297 -4.765 -33.192 4.449 1.00 0.03 H \nATOM 2838 HB3 PRO A 297 -4.774 -32.047 5.833 1.00 0.03 H \nATOM 2839 N PRO A 298 -2.595 -34.935 5.728 1.00 -0.25 N \nATOM 2840 CA PRO A 298 -2.303 -36.343 5.454 1.00 -0.03 C \nATOM 2841 C PRO A 298 -3.222 -36.921 4.375 1.00 0.59 C \nATOM 2842 O PRO A 298 -2.758 -37.724 3.571 1.00 -0.57 O \nATOM 2843 CB PRO A 298 -2.566 -37.027 6.801 1.00 -0.01 C \nATOM 2844 CG PRO A 298 -2.452 -35.940 7.811 1.00 0.02 C \nATOM 2845 CD PRO A 298 -2.942 -34.701 7.139 1.00 0.02 C \nATOM 2846 HA PRO A 298 -1.255 -36.469 5.145 1.00 0.06 H \nATOM 2847 HD3 PRO A 298 -2.430 -33.809 7.530 1.00 0.04 H \nATOM 2848 HD2 PRO A 298 -4.029 -34.585 7.266 1.00 0.04 H \nATOM 2849 HG3 PRO A 298 -1.404 -35.817 8.123 1.00 0.02 H \nATOM 2850 HG2 PRO A 298 -3.072 -36.169 8.690 1.00 0.02 H \nATOM 2851 HB2 PRO A 298 -3.573 -37.469 6.820 1.00 0.03 H \nATOM 2852 HB3 PRO A 298 -1.818 -37.811 6.990 1.00 0.03 H \nATOM 2853 N GLU A 299 -4.493 -36.520 4.358 1.00 -0.52 N \nATOM 2854 CA GLU A 299 -5.437 -37.055 3.383 1.00 0.04 C \nATOM 2855 C GLU A 299 -5.063 -36.693 1.945 1.00 0.54 C \nATOM 2856 O GLU A 299 -5.280 -37.482 1.033 1.00 -0.58 O \nATOM 2857 CB GLU A 299 -6.890 -36.652 3.703 1.00 0.06 C \nATOM 2858 CG GLU A 299 -7.200 -35.161 3.636 1.00 0.01 C \nATOM 2859 CD GLU A 299 -6.985 -34.444 4.971 1.00 0.81 C \nATOM 2860 OE1 GLU A 299 -6.105 -34.891 5.744 1.00 -0.82 O \nATOM 2861 OE2 GLU A 299 -7.691 -33.434 5.240 1.00 -0.82 O \nATOM 2862 HA GLU A 299 -5.384 -38.151 3.460 1.00 0.11 H \nATOM 2863 HB2 GLU A 299 -7.547 -37.165 2.986 1.00 -0.02 H \nATOM 2864 HB3 GLU A 299 -7.119 -36.998 4.722 1.00 -0.02 H \nATOM 2865 HG2 GLU A 299 -6.545 -34.701 2.882 1.00 -0.04 H \nATOM 2866 HG3 GLU A 299 -8.251 -35.035 3.336 1.00 -0.04 H \nATOM 2867 H GLU A 299 -4.804 -35.842 5.024 1.00 0.29 H \nATOM 2868 N MET A 300 -4.490 -35.513 1.739 1.00 -0.42 N \nATOM 2869 CA MET A 300 -4.113 -35.102 0.387 1.00 -0.02 C \nATOM 2870 C MET A 300 -2.816 -35.750 -0.072 1.00 0.60 C \nATOM 2871 O MET A 300 -2.610 -35.934 -1.265 1.00 -0.57 O \nATOM 2872 CB MET A 300 -3.996 -33.585 0.261 1.00 0.03 C \nATOM 2873 CG MET A 300 -5.323 -32.865 0.258 1.00 0.00 C \nATOM 2874 SD MET A 300 -5.112 -31.089 0.025 1.00 -0.27 S \nATOM 2875 CE MET A 300 -4.380 -31.064 -1.612 1.00 -0.05 C \nATOM 2876 HA MET A 300 -4.913 -35.435 -0.291 1.00 0.09 H \nATOM 2877 HB2 MET A 300 -3.402 -33.212 1.109 1.00 0.02 H \nATOM 2878 HB3 MET A 300 -3.476 -33.355 -0.681 1.00 0.02 H \nATOM 2879 HG2 MET A 300 -5.943 -33.261 -0.560 1.00 0.04 H \nATOM 2880 HG3 MET A 300 -5.828 -33.042 1.219 1.00 0.04 H \nATOM 2881 HE1 MET A 300 -5.068 -31.537 -2.329 1.00 0.07 H \nATOM 2882 HE2 MET A 300 -4.194 -30.023 -1.915 1.00 0.07 H \nATOM 2883 HE3 MET A 300 -3.429 -31.617 -1.597 1.00 0.07 H \nATOM 2884 H MET A 300 -4.315 -34.903 2.512 1.00 0.27 H \nATOM 2885 N ILE A 301 -1.931 -36.092 0.858 1.00 -0.42 N \nATOM 2886 CA ILE A 301 -0.721 -36.798 0.453 1.00 -0.06 C \nATOM 2887 C ILE A 301 -0.985 -38.300 0.314 1.00 0.60 C \nATOM 2888 O ILE A 301 -0.333 -38.979 -0.473 1.00 -0.57 O \nATOM 2889 CB ILE A 301 0.496 -36.514 1.378 1.00 0.13 C \nATOM 2890 CG1 ILE A 301 0.382 -37.276 2.692 1.00 -0.04 C \nATOM 2891 CG2 ILE A 301 0.674 -35.018 1.609 1.00 -0.32 C \nATOM 2892 CD1 ILE A 301 1.573 -37.067 3.584 1.00 -0.07 C \nATOM 2893 HA ILE A 301 -0.453 -36.422 -0.545 1.00 0.09 H \nATOM 2894 HB ILE A 301 1.397 -36.878 0.862 1.00 0.02 H \nATOM 2895 HG12 ILE A 301 -0.519 -36.934 3.221 1.00 0.02 H \nATOM 2896 HG13 ILE A 301 0.291 -38.350 2.470 1.00 0.02 H \nATOM 2897 HD11 ILE A 301 1.677 -35.996 3.812 1.00 0.02 H \nATOM 2898 HD12 ILE A 301 1.434 -37.629 4.519 1.00 0.02 H \nATOM 2899 HD13 ILE A 301 2.480 -37.423 3.074 1.00 0.02 H \nATOM 2900 HG21 ILE A 301 -0.235 -34.608 2.074 1.00 0.09 H \nATOM 2901 HG22 ILE A 301 1.534 -34.849 2.274 1.00 0.09 H \nATOM 2902 HG23 ILE A 301 0.851 -34.517 0.646 1.00 0.09 H \nATOM 2903 H ILE A 301 -2.092 -35.869 1.819 1.00 0.27 H \nATOM 2904 N GLU A 302 -1.953 -38.809 1.067 1.00 -0.52 N \nATOM 2905 CA GLU A 302 -2.358 -40.203 0.938 1.00 0.04 C \nATOM 2906 C GLU A 302 -3.398 -40.357 -0.172 1.00 0.54 C \nATOM 2907 O GLU A 302 -4.108 -41.366 -0.244 1.00 -0.58 O \nATOM 2908 CB GLU A 302 -2.886 -40.737 2.271 1.00 0.06 C \nATOM 2909 CG GLU A 302 -1.781 -40.930 3.313 1.00 0.01 C \nATOM 2910 CD GLU A 302 -2.281 -40.866 4.750 1.00 0.81 C \nATOM 2911 OE1 GLU A 302 -3.497 -41.061 4.976 1.00 -0.82 O \nATOM 2912 OE2 GLU A 302 -1.450 -40.626 5.656 1.00 -0.82 O \nATOM 2913 HA GLU A 302 -1.473 -40.794 0.661 1.00 0.11 H \nATOM 2914 HB2 GLU A 302 -3.623 -40.023 2.668 1.00 -0.02 H \nATOM 2915 HB3 GLU A 302 -3.374 -41.707 2.093 1.00 -0.02 H \nATOM 2916 HG2 GLU A 302 -1.317 -41.914 3.150 1.00 -0.04 H \nATOM 2917 HG3 GLU A 302 -1.028 -40.141 3.171 1.00 -0.04 H \nATOM 2918 H GLU A 302 -2.413 -38.225 1.735 1.00 0.29 H \nATOM 2919 N GLY A 303 -3.489 -39.336 -1.023 1.00 -0.42 N \nATOM 2920 CA GLY A 303 -4.322 -39.376 -2.217 1.00 -0.03 C \nATOM 2921 C GLY A 303 -5.827 -39.555 -2.068 1.00 0.60 C \nATOM 2922 O GLY A 303 -6.502 -39.895 -3.040 1.00 -0.57 O \nATOM 2923 HA3 GLY A 303 -4.163 -38.428 -2.752 1.00 0.07 H \nATOM 2924 HA2 GLY A 303 -3.959 -40.211 -2.834 1.00 0.07 H \nATOM 2925 H GLY A 303 -2.963 -38.507 -0.834 1.00 0.27 H \nATOM 2926 N ARG A 304 -6.367 -39.331 -0.873 1.00 -0.35 N \nATOM 2927 CA ARG A 304 -7.811 -39.424 -0.682 1.00 -0.26 C \nATOM 2928 C ARG A 304 -8.514 -38.137 -1.093 1.00 0.73 C \nATOM 2929 O ARG A 304 -7.867 -37.160 -1.459 1.00 -0.59 O \nATOM 2930 CB ARG A 304 -8.151 -39.760 0.768 1.00 -0.00 C \nATOM 2931 CG ARG A 304 -8.090 -41.241 1.071 1.00 0.04 C \nATOM 2932 CD ARG A 304 -8.575 -41.543 2.477 1.00 0.05 C \nATOM 2933 NE ARG A 304 -7.765 -40.869 3.485 1.00 -0.53 N \nATOM 2934 CZ ARG A 304 -6.488 -41.151 3.739 1.00 0.81 C \nATOM 2935 NH1 ARG A 304 -5.844 -40.477 4.682 1.00 -0.86 N \nATOM 2936 NH2 ARG A 304 -5.851 -42.095 3.051 1.00 -0.86 N \nATOM 2937 HA ARG A 304 -8.185 -40.238 -1.321 1.00 0.16 H \nATOM 2938 HB2 ARG A 304 -7.437 -39.240 1.423 1.00 0.03 H \nATOM 2939 HB3 ARG A 304 -9.170 -39.402 0.979 1.00 0.03 H \nATOM 2940 HG2 ARG A 304 -8.724 -41.779 0.351 1.00 0.03 H \nATOM 2941 HG3 ARG A 304 -7.049 -41.584 0.971 1.00 0.03 H \nATOM 2942 HD2 ARG A 304 -9.618 -41.206 2.574 1.00 0.07 H \nATOM 2943 HD3 ARG A 304 -8.523 -42.629 2.646 1.00 0.07 H \nATOM 2944 HE ARG A 304 -8.211 -40.124 4.039 1.00 0.35 H \nATOM 2945 HH12 ARG A 304 -4.857 -40.690 4.884 1.00 0.45 H \nATOM 2946 HH11 ARG A 304 -6.331 -39.741 5.213 1.00 0.45 H \nATOM 2947 HH22 ARG A 304 -4.864 -42.304 3.256 1.00 0.45 H \nATOM 2948 HH21 ARG A 304 -6.345 -42.617 2.313 1.00 0.45 H \nATOM 2949 H ARG A 304 -5.779 -39.097 -0.099 1.00 0.27 H \nATOM 2950 N MET A 305 -9.843 -38.149 -1.041 1.00 -0.42 N \nATOM 2951 CA MET A 305 -10.632 -36.944 -1.257 1.00 -0.02 C \nATOM 2952 C MET A 305 -10.423 -35.996 -0.083 1.00 0.60 C \nATOM 2953 O MET A 305 -10.042 -36.421 1.009 1.00 -0.57 O \nATOM 2954 CB MET A 305 -12.116 -37.294 -1.371 1.00 0.03 C \nATOM 2955 CG MET A 305 -12.433 -38.328 -2.446 1.00 0.00 C \nATOM 2956 SD MET A 305 -12.569 -37.605 -4.092 1.00 -0.27 S \nATOM 2957 CE MET A 305 -14.093 -36.678 -3.915 1.00 -0.05 C \nATOM 2958 HA MET A 305 -10.303 -36.455 -2.186 1.00 0.09 H \nATOM 2959 HB2 MET A 305 -12.453 -37.690 -0.401 1.00 0.02 H \nATOM 2960 HB3 MET A 305 -12.671 -36.373 -1.604 1.00 0.02 H \nATOM 2961 HG2 MET A 305 -11.631 -39.080 -2.458 1.00 0.04 H \nATOM 2962 HG3 MET A 305 -13.388 -38.814 -2.196 1.00 0.04 H \nATOM 2963 HE1 MET A 305 -13.982 -35.942 -3.105 1.00 0.07 H \nATOM 2964 HE2 MET A 305 -14.316 -36.156 -4.857 1.00 0.07 H \nATOM 2965 HE3 MET A 305 -14.916 -37.367 -3.674 1.00 0.07 H \nATOM 2966 H MET A 305 -10.314 -39.010 -0.848 1.00 0.27 H \nATOM 2967 N HIS A 306 -10.669 -34.711 -0.300 1.00 -0.42 N \nATOM 2968 CA HIS A 306 -10.538 -33.748 0.783 1.00 0.02 C \nATOM 2969 C HIS A 306 -11.669 -32.731 0.759 1.00 0.60 C \nATOM 2970 O HIS A 306 -12.360 -32.581 -0.244 1.00 -0.57 O \nATOM 2971 CB HIS A 306 -9.176 -33.050 0.733 1.00 -0.05 C \nATOM 2972 CG HIS A 306 -9.048 -32.047 -0.370 1.00 -0.03 C \nATOM 2973 ND1 HIS A 306 -8.279 -32.268 -1.492 1.00 -0.38 N \nATOM 2974 CD2 HIS A 306 -9.590 -30.814 -0.521 1.00 0.13 C \nATOM 2975 CE1 HIS A 306 -8.353 -31.216 -2.288 1.00 0.21 C \nATOM 2976 NE2 HIS A 306 -9.144 -30.320 -1.723 1.00 -0.57 N \nATOM 2977 HA HIS A 306 -10.601 -34.299 1.733 1.00 0.09 H \nATOM 2978 HB2 HIS A 306 -9.016 -32.533 1.691 1.00 0.04 H \nATOM 2979 HB3 HIS A 306 -8.399 -33.816 0.596 1.00 0.04 H \nATOM 2980 HD2 HIS A 306 -10.254 -30.309 0.179 1.00 0.11 H \nATOM 2981 HE1 HIS A 306 -7.848 -31.106 -3.247 1.00 0.14 H \nATOM 2982 HD1 HIS A 306 -7.732 -33.120 -1.681 1.00 0.36 H \nATOM 2983 H HIS A 306 -10.945 -34.403 -1.210 1.00 0.27 H \nATOM 2984 N ASP A 307 -11.848 -32.034 1.874 1.00 -0.52 N \nATOM 2985 CA ASP A 307 -12.907 -31.040 2.012 1.00 0.04 C \nATOM 2986 C ASP A 307 -12.382 -29.822 2.767 1.00 0.54 C \nATOM 2987 O ASP A 307 -11.178 -29.580 2.779 1.00 -0.58 O \nATOM 2988 CB ASP A 307 -14.106 -31.646 2.735 1.00 -0.03 C \nATOM 2989 CG ASP A 307 -13.735 -32.245 4.082 1.00 0.80 C \nATOM 2990 OD1 ASP A 307 -14.592 -32.936 4.666 1.00 -0.80 O \nATOM 2991 OD2 ASP A 307 -12.595 -32.033 4.557 1.00 -0.80 O \nATOM 2992 HA ASP A 307 -13.226 -30.721 1.009 1.00 0.09 H \nATOM 2993 HB2 ASP A 307 -14.856 -30.858 2.895 1.00 -0.01 H \nATOM 2994 HB3 ASP A 307 -14.535 -32.438 2.103 1.00 -0.01 H \nATOM 2995 H ASP A 307 -11.235 -32.196 2.647 1.00 0.29 H \nATOM 2996 N GLU A 308 -13.274 -29.068 3.407 1.00 -0.52 N \nATOM 2997 CA GLU A 308 -12.873 -27.832 4.079 1.00 0.04 C \nATOM 2998 C GLU A 308 -11.922 -28.101 5.237 1.00 0.54 C \nATOM 2999 O GLU A 308 -11.155 -27.222 5.627 1.00 -0.58 O \nATOM 3000 CB GLU A 308 -14.086 -27.060 4.601 1.00 0.06 C \nATOM 3001 CG GLU A 308 -15.418 -27.575 4.106 1.00 0.01 C \nATOM 3002 CD GLU A 308 -15.879 -28.796 4.881 1.00 0.81 C \nATOM 3003 OE1 GLU A 308 -15.711 -28.816 6.122 1.00 -0.82 O \nATOM 3004 OE2 GLU A 308 -16.415 -29.732 4.248 1.00 -0.82 O \nATOM 3005 HA GLU A 308 -12.352 -27.202 3.343 1.00 0.11 H \nATOM 3006 HB2 GLU A 308 -14.083 -27.117 5.700 1.00 -0.02 H \nATOM 3007 HB3 GLU A 308 -13.986 -26.010 4.288 1.00 -0.02 H \nATOM 3008 HG2 GLU A 308 -16.170 -26.780 4.216 1.00 -0.04 H \nATOM 3009 HG3 GLU A 308 -15.322 -27.844 3.044 1.00 -0.04 H \nATOM 3010 H GLU A 308 -14.233 -29.351 3.429 1.00 0.29 H \nATOM 3011 N LYS A 309 -11.976 -29.314 5.783 1.00 -0.35 N \nATOM 3012 CA LYS A 309 -11.160 -29.678 6.937 1.00 -0.24 C \nATOM 3013 C LYS A 309 -9.670 -29.539 6.648 1.00 0.73 C \nATOM 3014 O LYS A 309 -8.837 -29.536 7.550 1.00 -0.59 O \nATOM 3015 CB LYS A 309 -11.484 -31.099 7.397 1.00 -0.01 C \nATOM 3016 CG LYS A 309 -12.818 -31.224 8.104 1.00 0.02 C \nATOM 3017 CD LYS A 309 -12.891 -30.296 9.302 1.00 -0.05 C \nATOM 3018 CE LYS A 309 -14.061 -30.646 10.216 1.00 -0.01 C \nATOM 3019 NZ LYS A 309 -14.503 -29.455 10.996 1.00 -0.39 N \nATOM 3020 HA LYS A 309 -11.410 -28.988 7.757 1.00 0.14 H \nATOM 3021 HB2 LYS A 309 -11.497 -31.755 6.514 1.00 0.04 H \nATOM 3022 HB3 LYS A 309 -10.694 -31.429 8.087 1.00 0.04 H \nATOM 3023 HG2 LYS A 309 -13.623 -30.966 7.400 1.00 0.01 H \nATOM 3024 HG3 LYS A 309 -12.948 -32.262 8.445 1.00 0.01 H \nATOM 3025 HD2 LYS A 309 -11.955 -30.378 9.874 1.00 0.06 H \nATOM 3026 HD3 LYS A 309 -13.014 -29.263 8.946 1.00 0.06 H \nATOM 3027 HE2 LYS A 309 -14.900 -31.007 9.604 1.00 0.11 H \nATOM 3028 HE3 LYS A 309 -13.749 -31.437 10.913 1.00 0.11 H \nATOM 3029 HZ1 LYS A 309 -14.785 -28.724 10.362 1.00 0.34 H \nATOM 3030 HZ2 LYS A 309 -15.281 -29.708 11.584 1.00 0.34 H \nATOM 3031 HZ3 LYS A 309 -13.741 -29.127 11.569 1.00 0.34 H \nATOM 3032 H LYS A 309 -12.594 -29.996 5.391 1.00 0.27 H \nATOM 3033 N VAL A 310 -9.344 -29.433 5.373 1.00 -0.42 N \nATOM 3034 CA VAL A 310 -7.982 -29.167 4.950 1.00 -0.09 C \nATOM 3035 C VAL A 310 -7.465 -27.828 5.500 1.00 0.60 C \nATOM 3036 O VAL A 310 -6.280 -27.686 5.797 1.00 -0.57 O \nATOM 3037 CB VAL A 310 -7.903 -29.212 3.400 1.00 0.30 C \nATOM 3038 CG1 VAL A 310 -6.804 -28.319 2.875 1.00 -0.32 C \nATOM 3039 CG2 VAL A 310 -7.716 -30.648 2.941 1.00 -0.32 C \nATOM 3040 HA VAL A 310 -7.338 -29.964 5.350 1.00 0.10 H \nATOM 3041 HB VAL A 310 -8.858 -28.844 2.997 1.00 -0.03 H \nATOM 3042 HG11 VAL A 310 -5.838 -28.643 3.290 1.00 0.08 H \nATOM 3043 HG12 VAL A 310 -6.771 -28.384 1.777 1.00 0.08 H \nATOM 3044 HG13 VAL A 310 -7.002 -27.279 3.175 1.00 0.08 H \nATOM 3045 HG21 VAL A 310 -8.562 -31.258 3.290 1.00 0.08 H \nATOM 3046 HG22 VAL A 310 -7.671 -30.679 1.842 1.00 0.08 H \nATOM 3047 HG23 VAL A 310 -6.780 -31.047 3.358 1.00 0.08 H \nATOM 3048 H VAL A 310 -10.056 -29.539 4.679 1.00 0.27 H \nATOM 3049 N ASP A 311 -8.362 -26.854 5.642 1.00 -0.52 N \nATOM 3050 CA ASP A 311 -7.982 -25.529 6.121 1.00 0.04 C \nATOM 3051 C ASP A 311 -7.698 -25.523 7.635 1.00 0.54 C \nATOM 3052 O ASP A 311 -6.844 -24.767 8.109 1.00 -0.58 O \nATOM 3053 CB ASP A 311 -9.037 -24.483 5.734 1.00 -0.03 C \nATOM 3054 CG ASP A 311 -9.101 -24.240 4.214 1.00 0.80 C \nATOM 3055 OD1 ASP A 311 -8.027 -24.120 3.573 1.00 -0.80 O \nATOM 3056 OD2 ASP A 311 -10.222 -24.163 3.658 1.00 -0.80 O \nATOM 3057 HA ASP A 311 -7.045 -25.254 5.614 1.00 0.09 H \nATOM 3058 HB2 ASP A 311 -10.022 -24.833 6.077 1.00 -0.01 H \nATOM 3059 HB3 ASP A 311 -8.791 -23.534 6.232 1.00 -0.01 H \nATOM 3060 H ASP A 311 -9.319 -27.035 5.415 1.00 0.29 H \nATOM 3061 N LEU A 312 -8.397 -26.375 8.387 1.00 -0.42 N \nATOM 3062 CA LEU A 312 -8.094 -26.555 9.806 1.00 -0.05 C \nATOM 3063 C LEU A 312 -6.673 -27.080 9.978 1.00 0.60 C \nATOM 3064 O LEU A 312 -5.956 -26.665 10.893 1.00 -0.57 O \nATOM 3065 CB LEU A 312 -9.099 -27.496 10.478 1.00 -0.11 C \nATOM 3066 CG LEU A 312 -10.472 -26.893 10.806 1.00 0.35 C \nATOM 3067 CD1 LEU A 312 -10.338 -25.716 11.771 1.00 -0.41 C \nATOM 3068 CD2 LEU A 312 -11.220 -26.467 9.545 1.00 -0.41 C \nATOM 3069 HA LEU A 312 -8.163 -25.574 10.298 1.00 0.09 H \nATOM 3070 HB2 LEU A 312 -9.259 -28.352 9.806 1.00 0.05 H \nATOM 3071 HB3 LEU A 312 -8.653 -27.848 11.420 1.00 0.05 H \nATOM 3072 HG LEU A 312 -11.069 -27.672 11.303 1.00 -0.04 H \nATOM 3073 HD21 LEU A 312 -11.364 -27.340 8.892 1.00 0.10 H \nATOM 3074 HD22 LEU A 312 -12.200 -26.051 9.823 1.00 0.10 H \nATOM 3075 HD23 LEU A 312 -10.635 -25.703 9.012 1.00 0.10 H \nATOM 3076 HD11 LEU A 312 -9.703 -24.941 11.318 1.00 0.10 H \nATOM 3077 HD12 LEU A 312 -11.334 -25.298 11.980 1.00 0.10 H \nATOM 3078 HD13 LEU A 312 -9.881 -26.062 12.710 1.00 0.10 H \nATOM 3079 H LEU A 312 -9.141 -26.900 7.973 1.00 0.27 H \nATOM 3080 N TRP A 313 -6.255 -27.968 9.080 1.00 -0.42 N \nATOM 3081 CA TRP A 313 -4.903 -28.522 9.161 1.00 -0.03 C \nATOM 3082 C TRP A 313 -3.819 -27.472 8.875 1.00 0.60 C \nATOM 3083 O TRP A 313 -2.832 -27.359 9.611 1.00 -0.57 O \nATOM 3084 CB TRP A 313 -4.749 -29.719 8.226 1.00 -0.01 C \nATOM 3085 CG TRP A 313 -3.370 -30.243 8.185 1.00 -0.14 C \nATOM 3086 CD1 TRP A 313 -2.331 -29.759 7.445 1.00 -0.16 C \nATOM 3087 CD2 TRP A 313 -2.855 -31.360 8.917 1.00 0.12 C \nATOM 3088 NE1 TRP A 313 -1.199 -30.506 7.671 1.00 -0.34 N \nATOM 3089 CE2 TRP A 313 -1.496 -31.496 8.572 1.00 0.14 C \nATOM 3090 CE3 TRP A 313 -3.413 -32.261 9.830 1.00 -0.24 C \nATOM 3091 CZ2 TRP A 313 -0.688 -32.498 9.104 1.00 -0.26 C \nATOM 3092 CZ3 TRP A 313 -2.606 -33.251 10.363 1.00 -0.20 C \nATOM 3093 CH2 TRP A 313 -1.259 -33.362 9.999 1.00 -0.11 C \nATOM 3094 HA TRP A 313 -4.754 -28.878 10.191 1.00 0.11 H \nATOM 3095 HB2 TRP A 313 -5.419 -30.521 8.569 1.00 0.03 H \nATOM 3096 HB3 TRP A 313 -5.037 -29.410 7.210 1.00 0.03 H \nATOM 3097 HE1 TRP A 313 -0.279 -30.348 7.235 1.00 0.34 H \nATOM 3098 HD1 TRP A 313 -2.390 -28.904 6.772 1.00 0.21 H \nATOM 3099 HZ2 TRP A 313 0.354 -32.590 8.820 1.00 0.16 H \nATOM 3100 HH2 TRP A 313 -0.655 -34.149 10.435 1.00 0.14 H \nATOM 3101 HZ3 TRP A 313 -3.025 -33.953 11.075 1.00 0.14 H \nATOM 3102 HE3 TRP A 313 -4.456 -32.185 10.114 1.00 0.17 H \nATOM 3103 H TRP A 313 -6.868 -28.259 8.345 1.00 0.27 H \nATOM 3104 N SER A 314 -4.004 -26.707 7.807 1.00 -0.42 N \nATOM 3105 CA SER A 314 -3.076 -25.626 7.484 1.00 -0.02 C \nATOM 3106 C SER A 314 -2.950 -24.619 8.630 1.00 0.60 C \nATOM 3107 O SER A 314 -1.856 -24.163 8.961 1.00 -0.57 O \nATOM 3108 CB SER A 314 -3.523 -24.910 6.210 1.00 0.21 C \nATOM 3109 OG SER A 314 -3.465 -25.793 5.109 1.00 -0.65 O \nATOM 3110 HA SER A 314 -2.085 -26.068 7.306 1.00 0.08 H \nATOM 3111 HB2 SER A 314 -4.556 -24.554 6.336 1.00 0.04 H \nATOM 3112 HB3 SER A 314 -2.860 -24.052 6.023 1.00 0.04 H \nATOM 3113 HG SER A 314 -3.745 -25.338 4.323 1.00 0.43 H \nATOM 3114 H SER A 314 -4.791 -26.873 7.213 1.00 0.27 H \nATOM 3115 N LEU A 315 -4.080 -24.274 9.232 1.00 -0.42 N \nATOM 3116 CA LEU A 315 -4.094 -23.342 10.345 1.00 -0.05 C \nATOM 3117 C LEU A 315 -3.194 -23.862 11.482 1.00 0.60 C \nATOM 3118 O LEU A 315 -2.465 -23.094 12.121 1.00 -0.57 O \nATOM 3119 CB LEU A 315 -5.528 -23.169 10.822 1.00 -0.11 C \nATOM 3120 CG LEU A 315 -5.996 -21.863 11.444 1.00 0.35 C \nATOM 3121 CD1 LEU A 315 -5.640 -20.668 10.570 1.00 -0.41 C \nATOM 3122 CD2 LEU A 315 -7.501 -21.966 11.635 1.00 -0.41 C \nATOM 3123 HA LEU A 315 -3.709 -22.369 10.006 1.00 0.09 H \nATOM 3124 HB2 LEU A 315 -6.172 -23.347 9.948 1.00 0.05 H \nATOM 3125 HB3 LEU A 315 -5.704 -23.953 11.573 1.00 0.05 H \nATOM 3126 HG LEU A 315 -5.513 -21.735 12.424 1.00 -0.04 H \nATOM 3127 HD21 LEU A 315 -7.730 -22.819 12.290 1.00 0.10 H \nATOM 3128 HD22 LEU A 315 -7.877 -21.040 12.094 1.00 0.10 H \nATOM 3129 HD23 LEU A 315 -7.985 -22.113 10.658 1.00 0.10 H \nATOM 3130 HD11 LEU A 315 -6.113 -20.782 9.583 1.00 0.10 H \nATOM 3131 HD12 LEU A 315 -6.002 -19.745 11.046 1.00 0.10 H \nATOM 3132 HD13 LEU A 315 -4.548 -20.614 10.450 1.00 0.10 H \nATOM 3133 H LEU A 315 -4.943 -24.665 8.912 1.00 0.27 H \nATOM 3134 N GLY A 316 -3.235 -25.173 11.712 1.00 -0.42 N \nATOM 3135 CA GLY A 316 -2.464 -25.797 12.772 1.00 -0.03 C \nATOM 3136 C GLY A 316 -0.975 -25.801 12.501 1.00 0.60 C \nATOM 3137 O GLY A 316 -0.169 -25.523 13.393 1.00 -0.57 O \nATOM 3138 HA3 GLY A 316 -2.648 -25.249 13.708 1.00 0.07 H \nATOM 3139 HA2 GLY A 316 -2.802 -26.838 12.884 1.00 0.07 H \nATOM 3140 H GLY A 316 -3.816 -25.747 11.135 1.00 0.27 H \nATOM 3141 N VAL A 317 -0.606 -26.136 11.272 1.00 -0.42 N \nATOM 3142 CA VAL A 317 0.782 -26.051 10.828 1.00 -0.09 C \nATOM 3143 C VAL A 317 1.325 -24.622 10.947 1.00 0.60 C \nATOM 3144 O VAL A 317 2.450 -24.411 11.398 1.00 -0.57 O \nATOM 3145 CB VAL A 317 0.912 -26.513 9.368 1.00 0.30 C \nATOM 3146 CG1 VAL A 317 2.353 -26.368 8.881 1.00 -0.32 C \nATOM 3147 CG2 VAL A 317 0.402 -27.947 9.222 1.00 -0.32 C \nATOM 3148 HA VAL A 317 1.389 -26.712 11.464 1.00 0.10 H \nATOM 3149 HB VAL A 317 0.279 -25.864 8.745 1.00 -0.03 H \nATOM 3150 HG11 VAL A 317 3.017 -26.974 9.515 1.00 0.08 H \nATOM 3151 HG12 VAL A 317 2.424 -26.713 7.839 1.00 0.08 H \nATOM 3152 HG13 VAL A 317 2.655 -25.312 8.939 1.00 0.08 H \nATOM 3153 HG21 VAL A 317 -0.652 -27.994 9.531 1.00 0.08 H \nATOM 3154 HG22 VAL A 317 0.491 -28.263 8.172 1.00 0.08 H \nATOM 3155 HG23 VAL A 317 1.001 -28.616 9.858 1.00 0.08 H \nATOM 3156 H VAL A 317 -1.301 -26.457 10.629 1.00 0.27 H \nATOM 3157 N LEU A 318 0.511 -23.649 10.543 1.00 -0.42 N \nATOM 3158 CA LEU A 318 0.874 -22.235 10.607 1.00 -0.05 C \nATOM 3159 C LEU A 318 1.064 -21.776 12.049 1.00 0.60 C \nATOM 3160 O LEU A 318 2.043 -21.098 12.384 1.00 -0.57 O \nATOM 3161 CB LEU A 318 -0.240 -21.385 9.990 1.00 -0.11 C \nATOM 3162 CG LEU A 318 0.095 -20.185 9.102 1.00 0.35 C \nATOM 3163 CD1 LEU A 318 -0.841 -19.038 9.440 1.00 -0.41 C \nATOM 3164 CD2 LEU A 318 1.542 -19.744 9.198 1.00 -0.41 C \nATOM 3165 HA LEU A 318 1.809 -22.081 10.049 1.00 0.09 H \nATOM 3166 HB2 LEU A 318 -0.854 -22.065 9.381 1.00 0.05 H \nATOM 3167 HB3 LEU A 318 -0.841 -20.999 10.827 1.00 0.05 H \nATOM 3168 HG LEU A 318 -0.088 -20.481 8.059 1.00 -0.04 H \nATOM 3169 HD21 LEU A 318 2.199 -20.575 8.902 1.00 0.10 H \nATOM 3170 HD22 LEU A 318 1.710 -18.888 8.528 1.00 0.10 H \nATOM 3171 HD23 LEU A 318 1.767 -19.449 10.233 1.00 0.10 H \nATOM 3172 HD11 LEU A 318 -0.723 -18.768 10.500 1.00 0.10 H \nATOM 3173 HD12 LEU A 318 -0.598 -18.169 8.811 1.00 0.10 H \nATOM 3174 HD13 LEU A 318 -1.880 -19.346 9.254 1.00 0.10 H \nATOM 3175 H LEU A 318 -0.387 -23.896 10.180 1.00 0.27 H \nATOM 3176 N CYS A 319 0.096 -22.113 12.893 1.00 -0.42 N \nATOM 3177 CA CYS A 319 0.156 -21.723 14.292 1.00 0.02 C \nATOM 3178 C CYS A 319 1.475 -22.199 14.878 1.00 0.60 C \nATOM 3179 O CYS A 319 2.171 -21.454 15.570 1.00 -0.57 O \nATOM 3180 CB CYS A 319 -1.007 -22.320 15.075 1.00 -0.12 C \nATOM 3181 SG CYS A 319 -1.190 -21.584 16.721 1.00 -0.31 S \nATOM 3182 HA CYS A 319 0.104 -20.626 14.361 1.00 0.11 H \nATOM 3183 HB2 CYS A 319 -1.935 -22.153 14.509 1.00 0.11 H \nATOM 3184 HB3 CYS A 319 -0.837 -23.401 15.189 1.00 0.11 H \nATOM 3185 HG CYS A 319 -1.970 -22.012 17.196 1.00 0.19 H \nATOM 3186 H CYS A 319 -0.685 -22.642 12.562 1.00 0.27 H \nATOM 3187 N TYR A 320 1.822 -23.442 14.567 1.00 -0.42 N \nATOM 3188 CA TYR A 320 3.070 -24.023 15.031 1.00 -0.00 C \nATOM 3189 C TYR A 320 4.258 -23.242 14.480 1.00 0.60 C \nATOM 3190 O TYR A 320 5.138 -22.820 15.237 1.00 -0.57 O \nATOM 3191 CB TYR A 320 3.152 -25.497 14.627 1.00 -0.02 C \nATOM 3192 CG TYR A 320 4.372 -26.216 15.142 1.00 -0.00 C \nATOM 3193 CD1 TYR A 320 5.590 -26.099 14.496 1.00 -0.19 C \nATOM 3194 CD2 TYR A 320 4.305 -27.022 16.274 1.00 -0.19 C \nATOM 3195 CE1 TYR A 320 6.707 -26.759 14.960 1.00 -0.23 C \nATOM 3196 CE2 TYR A 320 5.425 -27.687 16.744 1.00 -0.23 C \nATOM 3197 CZ TYR A 320 6.619 -27.550 16.084 1.00 0.32 C \nATOM 3198 OH TYR A 320 7.739 -28.208 16.536 1.00 -0.56 O \nATOM 3199 HA TYR A 320 3.095 -23.963 16.129 1.00 0.09 H \nATOM 3200 HB3 TYR A 320 2.260 -26.011 15.016 1.00 0.03 H \nATOM 3201 HB2 TYR A 320 3.158 -25.553 13.528 1.00 0.03 H \nATOM 3202 HD2 TYR A 320 3.361 -27.131 16.796 1.00 0.17 H \nATOM 3203 HE2 TYR A 320 5.358 -28.312 17.628 1.00 0.17 H \nATOM 3204 HE1 TYR A 320 7.653 -26.656 14.441 1.00 0.17 H \nATOM 3205 HD1 TYR A 320 5.667 -25.478 13.611 1.00 0.17 H \nATOM 3206 HH TYR A 320 8.475 -28.006 15.970 1.00 0.40 H \nATOM 3207 H TYR A 320 1.209 -23.992 13.999 1.00 0.27 H \nATOM 3208 N GLU A 321 4.282 -23.031 13.168 1.00 -0.52 N \nATOM 3209 CA GLU A 321 5.395 -22.303 12.566 1.00 0.04 C \nATOM 3210 C GLU A 321 5.544 -20.888 13.145 1.00 0.54 C \nATOM 3211 O GLU A 321 6.652 -20.438 13.422 1.00 -0.58 O \nATOM 3212 CB GLU A 321 5.302 -22.268 11.034 1.00 0.06 C \nATOM 3213 CG GLU A 321 6.516 -21.614 10.412 1.00 0.01 C \nATOM 3214 CD GLU A 321 6.636 -21.837 8.915 1.00 0.81 C \nATOM 3215 OE1 GLU A 321 7.672 -21.429 8.359 1.00 -0.82 O \nATOM 3216 OE2 GLU A 321 5.717 -22.416 8.293 1.00 -0.82 O \nATOM 3217 HA GLU A 321 6.312 -22.854 12.821 1.00 0.11 H \nATOM 3218 HB2 GLU A 321 5.221 -23.299 10.659 1.00 -0.02 H \nATOM 3219 HB3 GLU A 321 4.405 -21.701 10.745 1.00 -0.02 H \nATOM 3220 HG2 GLU A 321 6.459 -20.531 10.597 1.00 -0.04 H \nATOM 3221 HG3 GLU A 321 7.415 -22.022 10.896 1.00 -0.04 H \nATOM 3222 H GLU A 321 3.538 -23.371 12.593 1.00 0.29 H \nATOM 3223 N PHE A 322 4.429 -20.195 13.338 1.00 -0.42 N \nATOM 3224 CA PHE A 322 4.479 -18.871 13.936 1.00 -0.00 C \nATOM 3225 C PHE A 322 5.145 -18.888 15.317 1.00 0.60 C \nATOM 3226 O PHE A 322 5.955 -18.015 15.632 1.00 -0.57 O \nATOM 3227 CB PHE A 322 3.076 -18.288 14.054 1.00 -0.03 C \nATOM 3228 CG PHE A 322 2.565 -17.676 12.788 1.00 0.01 C \nATOM 3229 CD1 PHE A 322 3.443 -17.240 11.807 1.00 -0.13 C \nATOM 3230 CD2 PHE A 322 1.201 -17.499 12.589 1.00 -0.13 C \nATOM 3231 CE1 PHE A 322 2.966 -16.647 10.647 1.00 -0.17 C \nATOM 3232 CE2 PHE A 322 0.721 -16.906 11.429 1.00 -0.17 C \nATOM 3233 CZ PHE A 322 1.601 -16.479 10.462 1.00 -0.11 C \nATOM 3234 HA PHE A 322 5.073 -18.222 13.276 1.00 0.10 H \nATOM 3235 HB2 PHE A 322 2.390 -19.095 14.350 1.00 0.03 H \nATOM 3236 HB3 PHE A 322 3.088 -17.512 14.833 1.00 0.03 H \nATOM 3237 HD2 PHE A 322 0.502 -17.828 13.350 1.00 0.13 H \nATOM 3238 HE2 PHE A 322 -0.346 -16.780 11.286 1.00 0.14 H \nATOM 3239 HZ PHE A 322 1.229 -16.012 9.557 1.00 0.13 H \nATOM 3240 HE1 PHE A 322 3.661 -16.314 9.884 1.00 0.14 H \nATOM 3241 HD1 PHE A 322 4.511 -17.364 11.948 1.00 0.13 H \nATOM 3242 H PHE A 322 3.548 -20.586 13.070 1.00 0.27 H \nATOM 3243 N LEU A 323 4.802 -19.880 16.138 1.00 -0.42 N \nATOM 3244 CA LEU A 323 5.288 -19.930 17.519 1.00 -0.05 C \nATOM 3245 C LEU A 323 6.705 -20.482 17.624 1.00 0.60 C \nATOM 3246 O LEU A 323 7.452 -20.123 18.530 1.00 -0.57 O \nATOM 3247 CB LEU A 323 4.352 -20.775 18.394 1.00 -0.11 C \nATOM 3248 CG LEU A 323 2.983 -20.153 18.659 1.00 0.35 C \nATOM 3249 CD1 LEU A 323 2.018 -21.163 19.272 1.00 -0.41 C \nATOM 3250 CD2 LEU A 323 3.134 -18.923 19.548 1.00 -0.41 C \nATOM 3251 HA LEU A 323 5.294 -18.902 17.909 1.00 0.09 H \nATOM 3252 HB2 LEU A 323 4.197 -21.742 17.893 1.00 0.05 H \nATOM 3253 HB3 LEU A 323 4.846 -20.939 19.363 1.00 0.05 H \nATOM 3254 HG LEU A 323 2.563 -19.829 17.695 1.00 -0.04 H \nATOM 3255 HD21 LEU A 323 3.785 -18.189 19.051 1.00 0.10 H \nATOM 3256 HD22 LEU A 323 2.145 -18.475 19.726 1.00 0.10 H \nATOM 3257 HD23 LEU A 323 3.581 -19.218 20.509 1.00 0.10 H \nATOM 3258 HD11 LEU A 323 2.430 -21.534 20.222 1.00 0.10 H \nATOM 3259 HD12 LEU A 323 1.048 -20.678 19.458 1.00 0.10 H \nATOM 3260 HD13 LEU A 323 1.879 -22.005 18.578 1.00 0.10 H \nATOM 3261 H LEU A 323 4.200 -20.606 15.804 1.00 0.27 H \nATOM 3262 N VAL A 324 7.068 -21.356 16.695 1.00 -0.42 N \nATOM 3263 CA VAL A 324 8.313 -22.101 16.805 1.00 -0.09 C \nATOM 3264 C VAL A 324 9.352 -21.631 15.800 1.00 0.60 C \nATOM 3265 O VAL A 324 10.548 -21.726 16.053 1.00 -0.57 O \nATOM 3266 CB VAL A 324 8.074 -23.622 16.651 1.00 0.30 C \nATOM 3267 CG1 VAL A 324 9.388 -24.366 16.682 1.00 -0.32 C \nATOM 3268 CG2 VAL A 324 7.153 -24.129 17.758 1.00 -0.32 C \nATOM 3269 HA VAL A 324 8.717 -21.923 17.812 1.00 0.10 H \nATOM 3270 HB VAL A 324 7.590 -23.805 15.680 1.00 -0.03 H \nATOM 3271 HG11 VAL A 324 9.898 -24.169 17.636 1.00 0.08 H \nATOM 3272 HG12 VAL A 324 9.201 -25.445 16.582 1.00 0.08 H \nATOM 3273 HG13 VAL A 324 10.022 -24.025 15.850 1.00 0.08 H \nATOM 3274 HG21 VAL A 324 6.191 -23.599 17.706 1.00 0.08 H \nATOM 3275 HG22 VAL A 324 6.985 -25.208 17.629 1.00 0.08 H \nATOM 3276 HG23 VAL A 324 7.620 -23.945 18.737 1.00 0.08 H \nATOM 3277 H VAL A 324 6.475 -21.506 15.904 1.00 0.27 H \nATOM 3278 N GLY A 325 8.899 -21.122 14.660 1.00 -0.42 N \nATOM 3279 CA GLY A 325 9.814 -20.581 13.670 1.00 -0.03 C \nATOM 3280 C GLY A 325 10.136 -21.551 12.547 1.00 0.60 C \nATOM 3281 O GLY A 325 10.774 -21.178 11.564 1.00 -0.57 O \nATOM 3282 HA3 GLY A 325 9.360 -19.680 13.232 1.00 0.07 H \nATOM 3283 HA2 GLY A 325 10.753 -20.310 14.175 1.00 0.07 H \nATOM 3284 H GLY A 325 7.915 -21.111 14.481 1.00 0.27 H \nATOM 3285 N LYS A 326 9.712 -22.803 12.698 1.00 -0.35 N \nATOM 3286 CA LYS A 326 9.796 -23.773 11.608 1.00 -0.24 C \nATOM 3287 C LYS A 326 8.560 -24.658 11.640 1.00 0.73 C \nATOM 3288 O LYS A 326 8.011 -24.907 12.710 1.00 -0.59 O \nATOM 3289 CB LYS A 326 11.073 -24.613 11.701 1.00 -0.01 C \nATOM 3290 CG LYS A 326 11.115 -25.581 12.870 1.00 0.02 C \nATOM 3291 HA LYS A 326 9.814 -23.227 10.653 1.00 0.14 H \nATOM 3292 HB2 LYS A 326 11.169 -25.194 10.772 1.00 0.04 H \nATOM 3293 HB3 LYS A 326 11.928 -23.927 11.794 1.00 0.04 H \nATOM 3294 HG2 LYS A 326 10.264 -26.275 12.803 1.00 0.01 H \nATOM 3295 HG3 LYS A 326 12.055 -26.151 12.841 1.00 0.01 H \nATOM 3296 H LYS A 326 9.327 -23.087 13.576 1.00 0.27 H \nATOM 3297 N PRO A 327 8.098 -25.116 10.464 1.00 -0.25 N \nATOM 3298 CA PRO A 327 6.893 -25.952 10.422 1.00 -0.03 C \nATOM 3299 C PRO A 327 7.157 -27.260 11.153 1.00 0.59 C \nATOM 3300 O PRO A 327 8.307 -27.673 11.245 1.00 -0.57 O \nATOM 3301 CB PRO A 327 6.679 -26.180 8.913 1.00 -0.01 C \nATOM 3302 CG PRO A 327 8.033 -25.952 8.313 1.00 0.02 C \nATOM 3303 CD PRO A 327 8.590 -24.816 9.111 1.00 0.02 C \nATOM 3304 HA PRO A 327 6.030 -25.440 10.872 1.00 0.06 H \nATOM 3305 HD3 PRO A 327 8.205 -23.850 8.752 1.00 0.04 H \nATOM 3306 HD2 PRO A 327 9.689 -24.808 9.079 1.00 0.04 H \nATOM 3307 HG3 PRO A 327 7.950 -25.681 7.250 1.00 0.02 H \nATOM 3308 HG2 PRO A 327 8.663 -26.848 8.415 1.00 0.02 H \nATOM 3309 HB2 PRO A 327 6.333 -27.206 8.718 1.00 0.03 H \nATOM 3310 HB3 PRO A 327 5.948 -25.464 8.510 1.00 0.03 H \nATOM 3311 N PRO A 328 6.103 -27.909 11.662 1.00 -0.25 N \nATOM 3312 CA PRO A 328 6.221 -29.054 12.573 1.00 -0.03 C \nATOM 3313 C PRO A 328 6.777 -30.342 11.951 1.00 0.59 C \nATOM 3314 O PRO A 328 7.325 -31.166 12.682 1.00 -0.57 O \nATOM 3315 CB PRO A 328 4.773 -29.303 13.021 1.00 -0.01 C \nATOM 3316 CG PRO A 328 3.964 -28.170 12.478 1.00 0.02 C \nATOM 3317 CD PRO A 328 4.704 -27.609 11.329 1.00 0.02 C \nATOM 3318 HA PRO A 328 6.855 -28.779 13.429 1.00 0.06 H \nATOM 3319 HD3 PRO A 328 4.541 -26.524 11.245 1.00 0.04 H \nATOM 3320 HD2 PRO A 328 4.407 -28.099 10.390 1.00 0.04 H \nATOM 3321 HG3 PRO A 328 3.830 -27.399 13.251 1.00 0.02 H \nATOM 3322 HG2 PRO A 328 2.980 -28.535 12.149 1.00 0.02 H \nATOM 3323 HB2 PRO A 328 4.409 -30.259 12.617 1.00 0.03 H \nATOM 3324 HB3 PRO A 328 4.712 -29.322 14.119 1.00 0.03 H \nATOM 3325 N PHE A 329 6.627 -30.529 10.644 1.00 -0.42 N \nATOM 3326 CA PHE A 329 6.943 -31.823 10.044 1.00 -0.00 C \nATOM 3327 C PHE A 329 8.194 -31.787 9.179 1.00 0.60 C \nATOM 3328 O PHE A 329 8.639 -32.816 8.672 1.00 -0.57 O \nATOM 3329 CB PHE A 329 5.749 -32.358 9.241 1.00 -0.03 C \nATOM 3330 CG PHE A 329 4.490 -32.480 10.047 1.00 0.01 C \nATOM 3331 CD1 PHE A 329 4.339 -33.506 10.969 1.00 -0.13 C \nATOM 3332 CD2 PHE A 329 3.460 -31.561 9.894 1.00 -0.13 C \nATOM 3333 CE1 PHE A 329 3.177 -33.619 11.727 1.00 -0.17 C \nATOM 3334 CE2 PHE A 329 2.295 -31.664 10.648 1.00 -0.17 C \nATOM 3335 CZ PHE A 329 2.155 -32.699 11.568 1.00 -0.11 C \nATOM 3336 HA PHE A 329 7.135 -32.526 10.868 1.00 0.10 H \nATOM 3337 HB2 PHE A 329 5.560 -31.673 8.401 1.00 0.03 H \nATOM 3338 HB3 PHE A 329 6.010 -33.353 8.851 1.00 0.03 H \nATOM 3339 HD2 PHE A 329 3.565 -30.754 9.178 1.00 0.13 H \nATOM 3340 HE2 PHE A 329 1.499 -30.940 10.519 1.00 0.14 H \nATOM 3341 HZ PHE A 329 1.249 -32.784 12.158 1.00 0.13 H \nATOM 3342 HE1 PHE A 329 3.072 -34.427 12.442 1.00 0.14 H \nATOM 3343 HD1 PHE A 329 5.136 -34.229 11.101 1.00 0.13 H \nATOM 3344 H PHE A 329 6.296 -29.781 10.069 1.00 0.27 H \nATOM 3345 N GLU A 330 8.771 -30.604 9.023 1.00 -0.52 N \nATOM 3346 CA GLU A 330 9.919 -30.450 8.137 1.00 0.04 C \nATOM 3347 C GLU A 330 11.097 -31.324 8.556 1.00 0.54 C \nATOM 3348 O GLU A 330 11.539 -31.279 9.703 1.00 -0.58 O \nATOM 3349 CB GLU A 330 10.351 -28.987 8.079 1.00 0.06 C \nATOM 3350 CG GLU A 330 11.123 -28.631 6.827 1.00 0.01 C \nATOM 3351 CD GLU A 330 11.430 -27.152 6.748 1.00 0.81 C \nATOM 3352 OE1 GLU A 330 12.243 -26.673 7.569 1.00 -0.82 O \nATOM 3353 OE2 GLU A 330 10.857 -26.473 5.865 1.00 -0.82 O \nATOM 3354 HA GLU A 330 9.610 -30.760 7.128 1.00 0.11 H \nATOM 3355 HB2 GLU A 330 9.451 -28.357 8.123 1.00 -0.02 H \nATOM 3356 HB3 GLU A 330 10.988 -28.778 8.951 1.00 -0.02 H \nATOM 3357 HG2 GLU A 330 12.070 -29.190 6.823 1.00 -0.04 H \nATOM 3358 HG3 GLU A 330 10.525 -28.916 5.949 1.00 -0.04 H \nATOM 3359 H GLU A 330 8.416 -29.810 9.517 1.00 0.29 H \nATOM 3360 N ALA A 331 11.596 -32.121 7.616 1.00 -0.42 N \nATOM 3361 CA ALA A 331 12.783 -32.940 7.834 1.00 0.03 C \nATOM 3362 C ALA A 331 13.813 -32.645 6.739 1.00 0.60 C \nATOM 3363 O ALA A 331 13.593 -31.768 5.901 1.00 -0.57 O \nATOM 3364 CB ALA A 331 12.413 -34.412 7.857 1.00 -0.18 C \nATOM 3365 HA ALA A 331 13.221 -32.676 8.808 1.00 0.08 H \nATOM 3366 HB1 ALA A 331 13.318 -35.015 8.022 1.00 0.06 H \nATOM 3367 HB2 ALA A 331 11.696 -34.597 8.670 1.00 0.06 H \nATOM 3368 HB3 ALA A 331 11.957 -34.691 6.895 1.00 0.06 H \nATOM 3369 H ALA A 331 11.141 -32.160 6.727 1.00 0.27 H \nATOM 3370 N ASN A 332 14.931 -33.368 6.744 1.00 -0.42 N \nATOM 3371 CA ASN A 332 16.023 -33.087 5.808 1.00 0.01 C \nATOM 3372 C ASN A 332 15.640 -33.400 4.376 1.00 0.60 C \nATOM 3373 O ASN A 332 16.093 -32.739 3.442 1.00 -0.57 O \nATOM 3374 CB ASN A 332 17.278 -33.884 6.167 1.00 -0.20 C \nATOM 3375 CG ASN A 332 17.340 -34.242 7.632 1.00 0.71 C \nATOM 3376 OD1 ASN A 332 16.521 -35.020 8.132 1.00 -0.59 O \nATOM 3377 ND2 ASN A 332 18.321 -33.683 8.333 1.00 -0.92 N \nATOM 3378 HA ASN A 332 16.259 -32.015 5.877 1.00 0.10 H \nATOM 3379 HB2 ASN A 332 17.286 -34.812 5.577 1.00 0.08 H \nATOM 3380 HB3 ASN A 332 18.162 -33.281 5.914 1.00 0.08 H \nATOM 3381 HD22 ASN A 332 18.414 -33.881 9.309 1.00 0.42 H \nATOM 3382 HD21 ASN A 332 18.966 -33.064 7.885 1.00 0.42 H \nATOM 3383 H ASN A 332 15.027 -34.117 7.399 1.00 0.27 H \nATOM 3384 N THR A 333 14.805 -34.420 4.214 1.00 -0.42 N \nATOM 3385 CA THR A 333 14.399 -34.884 2.894 1.00 -0.04 C \nATOM 3386 C THR A 333 12.882 -34.823 2.725 1.00 0.60 C \nATOM 3387 O THR A 333 12.128 -34.927 3.701 1.00 -0.57 O \nATOM 3388 CB THR A 333 14.882 -36.330 2.648 1.00 0.37 C \nATOM 3389 OG1 THR A 333 14.249 -37.217 3.580 1.00 -0.68 O \nATOM 3390 CG2 THR A 333 16.393 -36.422 2.829 1.00 -0.24 C \nATOM 3391 HA THR A 333 14.861 -34.227 2.142 1.00 0.10 H \nATOM 3392 HB THR A 333 14.619 -36.629 1.622 1.00 0.00 H \nATOM 3393 HG1 THR A 333 14.549 -38.105 3.425 1.00 0.41 H \nATOM 3394 HG23 THR A 333 16.883 -36.381 1.845 1.00 0.06 H \nATOM 3395 HG21 THR A 333 16.740 -35.581 3.447 1.00 0.06 H \nATOM 3396 HG22 THR A 333 16.646 -37.370 3.326 1.00 0.06 H \nATOM 3397 H THR A 333 14.444 -34.884 5.023 1.00 0.27 H \nATOM 3398 N TYR A 334 12.442 -34.638 1.484 1.00 -0.42 N \nATOM 3399 CA TYR A 334 11.024 -34.676 1.163 1.00 -0.00 C \nATOM 3400 C TYR A 334 10.435 -35.968 1.686 1.00 0.60 C \nATOM 3401 O TYR A 334 9.332 -35.985 2.235 1.00 -0.57 O \nATOM 3402 CB TYR A 334 10.809 -34.622 -0.348 1.00 -0.02 C \nATOM 3403 CG TYR A 334 11.315 -33.364 -1.012 1.00 -0.00 C \nATOM 3404 CD1 TYR A 334 10.466 -32.289 -1.243 1.00 -0.19 C \nATOM 3405 CD2 TYR A 334 12.638 -33.255 -1.424 1.00 -0.19 C \nATOM 3406 CE1 TYR A 334 10.920 -31.137 -1.858 1.00 -0.23 C \nATOM 3407 CE2 TYR A 334 13.102 -32.108 -2.040 1.00 -0.23 C \nATOM 3408 CZ TYR A 334 12.237 -31.052 -2.254 1.00 0.32 C \nATOM 3409 OH TYR A 334 12.692 -29.909 -2.864 1.00 -0.56 O \nATOM 3410 HA TYR A 334 10.521 -33.819 1.635 1.00 0.09 H \nATOM 3411 HB3 TYR A 334 11.328 -35.480 -0.799 1.00 0.03 H \nATOM 3412 HB2 TYR A 334 9.730 -34.702 -0.544 1.00 0.03 H \nATOM 3413 HD2 TYR A 334 13.317 -34.084 -1.259 1.00 0.17 H \nATOM 3414 HE2 TYR A 334 14.137 -32.037 -2.353 1.00 0.17 H \nATOM 3415 HE1 TYR A 334 10.244 -30.306 -2.027 1.00 0.17 H \nATOM 3416 HD1 TYR A 334 9.429 -32.355 -0.935 1.00 0.17 H \nATOM 3417 HH TYR A 334 11.981 -29.284 -2.936 1.00 0.40 H \nATOM 3418 H TYR A 334 13.103 -34.468 0.753 1.00 0.27 H \nATOM 3419 N GLN A 335 11.183 -37.053 1.510 1.00 -0.42 N \nATOM 3420 CA GLN A 335 10.714 -38.381 1.884 1.00 -0.00 C \nATOM 3421 C GLN A 335 10.365 -38.458 3.365 1.00 0.60 C \nATOM 3422 O GLN A 335 9.291 -38.941 3.725 1.00 -0.57 O \nATOM 3423 CB GLN A 335 11.755 -39.446 1.524 1.00 -0.00 C \nATOM 3424 CG GLN A 335 11.965 -39.648 0.024 1.00 -0.06 C \nATOM 3425 CD GLN A 335 13.081 -38.779 -0.551 1.00 0.70 C \nATOM 3426 OE1 GLN A 335 13.339 -37.673 -0.073 1.00 -0.61 O \nATOM 3427 NE2 GLN A 335 13.746 -39.283 -1.585 1.00 -0.94 N \nATOM 3428 HA GLN A 335 9.799 -38.590 1.310 1.00 0.09 H \nATOM 3429 HB2 GLN A 335 12.717 -39.150 1.968 1.00 0.02 H \nATOM 3430 HB3 GLN A 335 11.430 -40.404 1.957 1.00 0.02 H \nATOM 3431 HG2 GLN A 335 12.217 -40.704 -0.154 1.00 0.04 H \nATOM 3432 HG3 GLN A 335 11.028 -39.402 -0.496 1.00 0.04 H \nATOM 3433 HE22 GLN A 335 14.488 -38.761 -2.005 1.00 0.43 H \nATOM 3434 HE21 GLN A 335 13.504 -40.185 -1.943 1.00 0.43 H \nATOM 3435 H GLN A 335 12.094 -36.955 1.109 1.00 0.27 H \nATOM 3436 N GLU A 336 11.269 -37.979 4.219 1.00 -0.52 N \nATOM 3437 CA GLU A 336 11.041 -37.997 5.663 1.00 0.04 C \nATOM 3438 C GLU A 336 9.912 -37.069 6.088 1.00 0.54 C \nATOM 3439 O GLU A 336 9.141 -37.407 6.987 1.00 -0.58 O \nATOM 3440 CB GLU A 336 12.318 -37.656 6.432 1.00 0.06 C \nATOM 3441 CG GLU A 336 12.954 -38.852 7.115 1.00 0.01 C \nATOM 3442 CD GLU A 336 12.080 -39.432 8.222 1.00 0.81 C \nATOM 3443 OE1 GLU A 336 11.602 -38.658 9.078 1.00 -0.82 O \nATOM 3444 OE2 GLU A 336 11.881 -40.665 8.243 1.00 -0.82 O \nATOM 3445 HA GLU A 336 10.748 -39.022 5.935 1.00 0.11 H \nATOM 3446 HB2 GLU A 336 13.046 -37.231 5.726 1.00 -0.02 H \nATOM 3447 HB3 GLU A 336 12.072 -36.907 7.200 1.00 -0.02 H \nATOM 3448 HG2 GLU A 336 13.132 -39.634 6.362 1.00 -0.04 H \nATOM 3449 HG3 GLU A 336 13.913 -38.538 7.552 1.00 -0.04 H \nATOM 3450 H GLU A 336 12.123 -37.599 3.864 1.00 0.29 H \nATOM 3451 N THR A 337 9.827 -35.904 5.443 1.00 -0.42 N \nATOM 3452 CA THR A 337 8.758 -34.943 5.703 1.00 -0.04 C \nATOM 3453 C THR A 337 7.410 -35.581 5.393 1.00 0.60 C \nATOM 3454 O THR A 337 6.456 -35.499 6.173 1.00 -0.57 O \nATOM 3455 CB THR A 337 8.912 -33.688 4.832 1.00 0.37 C \nATOM 3456 OG1 THR A 337 10.123 -33.006 5.177 1.00 -0.68 O \nATOM 3457 CG2 THR A 337 7.736 -32.754 5.033 1.00 -0.24 C \nATOM 3458 HA THR A 337 8.791 -34.652 6.763 1.00 0.10 H \nATOM 3459 HB THR A 337 8.955 -33.989 3.775 1.00 0.00 H \nATOM 3460 HG1 THR A 337 10.215 -32.230 4.636 1.00 0.41 H \nATOM 3461 HG23 THR A 337 7.011 -32.897 4.218 1.00 0.06 H \nATOM 3462 HG21 THR A 337 7.253 -32.975 5.996 1.00 0.06 H \nATOM 3463 HG22 THR A 337 8.090 -31.713 5.030 1.00 0.06 H \nATOM 3464 H THR A 337 10.520 -35.681 4.757 1.00 0.27 H \nATOM 3465 N TYR A 338 7.353 -36.219 4.232 1.00 -0.42 N \nATOM 3466 CA TYR A 338 6.182 -36.954 3.787 1.00 -0.00 C \nATOM 3467 C TYR A 338 5.803 -38.006 4.829 1.00 0.60 C \nATOM 3468 O TYR A 338 4.644 -38.116 5.235 1.00 -0.57 O \nATOM 3469 CB TYR A 338 6.512 -37.620 2.451 1.00 -0.02 C \nATOM 3470 CG TYR A 338 5.350 -38.272 1.753 1.00 -0.00 C \nATOM 3471 CD1 TYR A 338 4.690 -37.624 0.715 1.00 -0.19 C \nATOM 3472 CD2 TYR A 338 4.924 -39.547 2.114 1.00 -0.19 C \nATOM 3473 CE1 TYR A 338 3.628 -38.223 0.060 1.00 -0.23 C \nATOM 3474 CE2 TYR A 338 3.862 -40.153 1.469 1.00 -0.23 C \nATOM 3475 CZ TYR A 338 3.218 -39.486 0.443 1.00 0.32 C \nATOM 3476 OH TYR A 338 2.162 -40.087 -0.202 1.00 -0.56 O \nATOM 3477 HA TYR A 338 5.340 -36.259 3.652 1.00 0.09 H \nATOM 3478 HB3 TYR A 338 6.923 -36.851 1.780 1.00 0.03 H \nATOM 3479 HB2 TYR A 338 7.274 -38.392 2.635 1.00 0.03 H \nATOM 3480 HD2 TYR A 338 5.433 -40.073 2.914 1.00 0.17 H \nATOM 3481 HE2 TYR A 338 3.537 -41.144 1.765 1.00 0.17 H \nATOM 3482 HE1 TYR A 338 3.122 -37.706 -0.747 1.00 0.17 H \nATOM 3483 HD1 TYR A 338 5.012 -36.634 0.414 1.00 0.17 H \nATOM 3484 HH TYR A 338 1.831 -39.506 -0.877 1.00 0.40 H \nATOM 3485 H TYR A 338 8.154 -36.193 3.634 1.00 0.27 H \nATOM 3486 N LYS A 339 6.797 -38.774 5.265 1.00 -0.35 N \nATOM 3487 CA LYS A 339 6.575 -39.836 6.238 1.00 -0.24 C \nATOM 3488 C LYS A 339 6.013 -39.268 7.541 1.00 0.73 C \nATOM 3489 O LYS A 339 5.011 -39.761 8.068 1.00 -0.59 O \nATOM 3490 CB LYS A 339 7.877 -40.611 6.476 1.00 -0.01 C \nATOM 3491 CG LYS A 339 7.798 -41.719 7.520 1.00 0.02 C \nATOM 3492 CD LYS A 339 8.723 -42.876 7.144 1.00 -0.05 C \nATOM 3493 CE LYS A 339 9.026 -43.789 8.325 1.00 -0.01 C \nATOM 3494 NZ LYS A 339 10.160 -43.273 9.144 1.00 -0.39 N \nATOM 3495 HA LYS A 339 5.832 -40.534 5.824 1.00 0.14 H \nATOM 3496 HB2 LYS A 339 8.181 -41.065 5.521 1.00 0.04 H \nATOM 3497 HB3 LYS A 339 8.645 -39.893 6.801 1.00 0.04 H \nATOM 3498 HG2 LYS A 339 8.100 -41.317 8.498 1.00 0.01 H \nATOM 3499 HG3 LYS A 339 6.763 -42.087 7.579 1.00 0.01 H \nATOM 3500 HD2 LYS A 339 8.241 -43.470 6.353 1.00 0.06 H \nATOM 3501 HD3 LYS A 339 9.670 -42.462 6.766 1.00 0.06 H \nATOM 3502 HE2 LYS A 339 8.131 -43.859 8.960 1.00 0.11 H \nATOM 3503 HE3 LYS A 339 9.286 -44.788 7.946 1.00 0.11 H \nATOM 3504 HZ1 LYS A 339 9.932 -42.355 9.493 1.00 0.34 H \nATOM 3505 HZ2 LYS A 339 10.325 -43.896 9.919 1.00 0.34 H \nATOM 3506 HZ3 LYS A 339 10.989 -43.219 8.574 1.00 0.34 H \nATOM 3507 H LYS A 339 7.721 -38.619 4.916 1.00 0.27 H \nATOM 3508 N ARG A 340 6.652 -38.214 8.039 1.00 -0.35 N \nATOM 3509 CA ARG A 340 6.233 -37.570 9.282 1.00 -0.26 C \nATOM 3510 C ARG A 340 4.824 -36.985 9.226 1.00 0.73 C \nATOM 3511 O ARG A 340 4.073 -37.080 10.196 1.00 -0.59 O \nATOM 3512 CB ARG A 340 7.250 -36.509 9.704 1.00 -0.00 C \nATOM 3513 CG ARG A 340 8.174 -37.004 10.779 1.00 0.04 C \nATOM 3514 CD ARG A 340 9.615 -36.828 10.408 1.00 0.05 C \nATOM 3515 NE ARG A 340 10.129 -35.518 10.780 1.00 -0.53 N \nATOM 3516 CZ ARG A 340 11.379 -35.304 11.183 1.00 0.81 C \nATOM 3517 NH1 ARG A 340 11.774 -34.077 11.500 1.00 -0.86 N \nATOM 3518 NH2 ARG A 340 12.234 -36.321 11.278 1.00 -0.86 N \nATOM 3519 HA ARG A 340 6.225 -38.348 10.060 1.00 0.16 H \nATOM 3520 HB2 ARG A 340 7.849 -36.223 8.826 1.00 0.03 H \nATOM 3521 HB3 ARG A 340 6.708 -35.629 10.080 1.00 0.03 H \nATOM 3522 HG2 ARG A 340 7.975 -36.443 11.704 1.00 0.03 H \nATOM 3523 HG3 ARG A 340 7.980 -38.073 10.949 1.00 0.03 H \nATOM 3524 HD2 ARG A 340 10.208 -37.599 10.921 1.00 0.07 H \nATOM 3525 HD3 ARG A 340 9.717 -36.951 9.320 1.00 0.07 H \nATOM 3526 HE ARG A 340 9.490 -34.712 10.728 1.00 0.35 H \nATOM 3527 HH12 ARG A 340 12.742 -33.912 11.812 1.00 0.45 H \nATOM 3528 HH11 ARG A 340 11.113 -33.290 11.434 1.00 0.45 H \nATOM 3529 HH22 ARG A 340 13.201 -36.153 11.590 1.00 0.45 H \nATOM 3530 HH21 ARG A 340 11.928 -37.275 11.039 1.00 0.45 H \nATOM 3531 H ARG A 340 7.444 -37.851 7.548 1.00 0.27 H \nATOM 3532 N ILE A 341 4.466 -36.384 8.096 1.00 -0.42 N \nATOM 3533 CA ILE A 341 3.124 -35.846 7.934 1.00 -0.06 C \nATOM 3534 C ILE A 341 2.111 -36.980 7.983 1.00 0.60 C \nATOM 3535 O ILE A 341 1.080 -36.887 8.649 1.00 -0.57 O \nATOM 3536 CB ILE A 341 2.959 -35.106 6.593 1.00 0.13 C \nATOM 3537 CG1 ILE A 341 3.882 -33.894 6.531 1.00 -0.04 C \nATOM 3538 CG2 ILE A 341 1.515 -34.672 6.401 1.00 -0.32 C \nATOM 3539 CD1 ILE A 341 3.790 -33.132 5.237 1.00 -0.07 C \nATOM 3540 HA ILE A 341 2.925 -35.143 8.756 1.00 0.09 H \nATOM 3541 HB ILE A 341 3.230 -35.794 5.779 1.00 0.02 H \nATOM 3542 HG12 ILE A 341 3.619 -33.214 7.354 1.00 0.02 H \nATOM 3543 HG13 ILE A 341 4.919 -34.239 6.658 1.00 0.02 H \nATOM 3544 HD11 ILE A 341 2.759 -32.777 5.093 1.00 0.02 H \nATOM 3545 HD12 ILE A 341 4.473 -32.270 5.269 1.00 0.02 H \nATOM 3546 HD13 ILE A 341 4.071 -33.791 4.403 1.00 0.02 H \nATOM 3547 HG21 ILE A 341 1.219 -34.007 7.225 1.00 0.09 H \nATOM 3548 HG22 ILE A 341 1.417 -34.137 5.445 1.00 0.09 H \nATOM 3549 HG23 ILE A 341 0.864 -35.558 6.394 1.00 0.09 H \nATOM 3550 H ILE A 341 5.126 -36.301 7.349 1.00 0.27 H \nATOM 3551 N SER A 342 2.417 -38.054 7.265 1.00 -0.42 N \nATOM 3552 CA SER A 342 1.497 -39.169 7.143 1.00 -0.02 C \nATOM 3553 C SER A 342 1.231 -39.796 8.500 1.00 0.60 C \nATOM 3554 O SER A 342 0.129 -40.270 8.768 1.00 -0.57 O \nATOM 3555 CB SER A 342 2.048 -40.215 6.176 1.00 0.21 C \nATOM 3556 OG SER A 342 1.196 -41.343 6.136 1.00 -0.65 O \nATOM 3557 HA SER A 342 0.545 -38.791 6.742 1.00 0.08 H \nATOM 3558 HB2 SER A 342 2.118 -39.777 5.169 1.00 0.04 H \nATOM 3559 HB3 SER A 342 3.048 -40.527 6.511 1.00 0.04 H \nATOM 3560 HG SER A 342 1.549 -41.985 5.532 1.00 0.43 H \nATOM 3561 H SER A 342 3.300 -38.095 6.798 1.00 0.27 H \nATOM 3562 N ARG A 343 2.244 -39.788 9.357 1.00 -0.35 N \nATOM 3563 CA ARG A 343 2.112 -40.368 10.686 1.00 -0.26 C \nATOM 3564 C ARG A 343 1.778 -39.331 11.754 1.00 0.73 C \nATOM 3565 O ARG A 343 1.641 -39.666 12.933 1.00 -0.59 O \nATOM 3566 CB ARG A 343 3.385 -41.116 11.049 1.00 -0.00 C \nATOM 3567 CG ARG A 343 3.573 -42.353 10.207 1.00 0.04 C \nATOM 3568 CD ARG A 343 4.724 -43.192 10.689 1.00 0.05 C \nATOM 3569 NE ARG A 343 6.006 -42.625 10.293 1.00 -0.53 N \nATOM 3570 CZ ARG A 343 6.826 -41.990 11.123 1.00 0.81 C \nATOM 3571 NH1 ARG A 343 6.495 -41.855 12.402 1.00 -0.86 N \nATOM 3572 NH2 ARG A 343 7.979 -41.497 10.677 1.00 -0.86 N \nATOM 3573 HA ARG A 343 1.285 -41.092 10.655 1.00 0.16 H \nATOM 3574 HB2 ARG A 343 4.245 -40.448 10.896 1.00 0.03 H \nATOM 3575 HB3 ARG A 343 3.334 -41.411 12.107 1.00 0.03 H \nATOM 3576 HG2 ARG A 343 2.653 -42.954 10.249 1.00 0.03 H \nATOM 3577 HG3 ARG A 343 3.766 -42.049 9.167 1.00 0.03 H \nATOM 3578 HD2 ARG A 343 4.685 -43.254 11.787 1.00 0.07 H \nATOM 3579 HD3 ARG A 343 4.633 -44.201 10.261 1.00 0.07 H \nATOM 3580 HE ARG A 343 6.294 -42.722 9.309 1.00 0.35 H \nATOM 3581 HH12 ARG A 343 7.128 -41.363 13.049 1.00 0.45 H \nATOM 3582 HH11 ARG A 343 5.605 -42.242 12.747 1.00 0.45 H \nATOM 3583 HH22 ARG A 343 8.613 -41.005 11.323 1.00 0.45 H \nATOM 3584 HH21 ARG A 343 8.237 -41.607 9.686 1.00 0.45 H \nATOM 3585 H ARG A 343 3.114 -39.376 9.085 1.00 0.27 H \nATOM 3586 N VAL A 344 1.633 -38.076 11.332 1.00 -0.42 N \nATOM 3587 CA VAL A 344 1.387 -36.966 12.252 1.00 -0.09 C \nATOM 3588 C VAL A 344 2.328 -37.007 13.461 1.00 0.60 C \nATOM 3589 O VAL A 344 1.894 -36.886 14.607 1.00 -0.57 O \nATOM 3590 CB VAL A 344 -0.071 -36.927 12.734 1.00 0.30 C \nATOM 3591 CG1 VAL A 344 -0.363 -35.593 13.423 1.00 -0.32 C \nATOM 3592 CG2 VAL A 344 -1.013 -37.129 11.569 1.00 -0.32 C \nATOM 3593 HA VAL A 344 1.585 -36.034 11.702 1.00 0.10 H \nATOM 3594 HB VAL A 344 -0.225 -37.740 13.458 1.00 -0.03 H \nATOM 3595 HG11 VAL A 344 -0.186 -34.769 12.716 1.00 0.08 H \nATOM 3596 HG12 VAL A 344 -1.412 -35.573 13.754 1.00 0.08 H \nATOM 3597 HG13 VAL A 344 0.299 -35.478 14.294 1.00 0.08 H \nATOM 3598 HG21 VAL A 344 -0.808 -38.101 11.096 1.00 0.08 H \nATOM 3599 HG22 VAL A 344 -2.052 -37.109 11.930 1.00 0.08 H \nATOM 3600 HG23 VAL A 344 -0.865 -36.324 10.834 1.00 0.08 H \nATOM 3601 H VAL A 344 1.694 -37.886 10.352 1.00 0.27 H \nATOM 3602 N GLU A 345 3.619 -37.173 13.202 1.00 -0.52 N \nATOM 3603 CA GLU A 345 4.586 -37.135 14.284 1.00 0.04 C \nATOM 3604 C GLU A 345 5.441 -35.865 14.277 1.00 0.54 C \nATOM 3605 O GLU A 345 6.170 -35.567 13.322 1.00 -0.58 O \nATOM 3606 CB GLU A 345 5.454 -38.394 14.317 1.00 0.06 C \nATOM 3607 CG GLU A 345 6.419 -38.535 13.171 1.00 0.01 C \nATOM 3608 CD GLU A 345 7.739 -39.126 13.620 1.00 0.81 C \nATOM 3609 OE1 GLU A 345 8.168 -38.796 14.747 1.00 -0.82 O \nATOM 3610 OE2 GLU A 345 8.349 -39.906 12.854 1.00 -0.82 O \nATOM 3611 HA GLU A 345 4.009 -37.121 15.220 1.00 0.11 H \nATOM 3612 HB2 GLU A 345 6.034 -38.383 15.252 1.00 -0.02 H \nATOM 3613 HB3 GLU A 345 4.786 -39.268 14.310 1.00 -0.02 H \nATOM 3614 HG2 GLU A 345 5.975 -39.193 12.409 1.00 -0.04 H \nATOM 3615 HG3 GLU A 345 6.603 -37.542 12.735 1.00 -0.04 H \nATOM 3616 H GLU A 345 3.925 -37.324 12.262 1.00 0.29 H \nATOM 3617 N PHE A 346 5.323 -35.120 15.366 1.00 -0.42 N \nATOM 3618 CA PHE A 346 6.071 -33.897 15.563 1.00 -0.00 C \nATOM 3619 C PHE A 346 6.170 -33.702 17.059 1.00 0.60 C \nATOM 3620 O PHE A 346 5.427 -34.316 17.824 1.00 -0.57 O \nATOM 3621 CB PHE A 346 5.326 -32.710 14.953 1.00 -0.03 C \nATOM 3622 CG PHE A 346 4.035 -32.393 15.651 1.00 0.01 C \nATOM 3623 CD1 PHE A 346 2.884 -33.101 15.359 1.00 -0.13 C \nATOM 3624 CD2 PHE A 346 3.979 -31.403 16.617 1.00 -0.13 C \nATOM 3625 CE1 PHE A 346 1.694 -32.822 16.007 1.00 -0.17 C \nATOM 3626 CE2 PHE A 346 2.788 -31.115 17.271 1.00 -0.17 C \nATOM 3627 CZ PHE A 346 1.645 -31.824 16.963 1.00 -0.11 C \nATOM 3628 HA PHE A 346 7.072 -33.981 15.114 1.00 0.10 H \nATOM 3629 HB2 PHE A 346 5.977 -31.825 15.006 1.00 0.03 H \nATOM 3630 HB3 PHE A 346 5.106 -32.941 13.900 1.00 0.03 H \nATOM 3631 HD2 PHE A 346 4.875 -30.846 16.866 1.00 0.13 H \nATOM 3632 HE2 PHE A 346 2.756 -30.334 18.022 1.00 0.14 H \nATOM 3633 HZ PHE A 346 0.713 -31.600 17.468 1.00 0.13 H \nATOM 3634 HE1 PHE A 346 0.800 -33.386 15.765 1.00 0.14 H \nATOM 3635 HD1 PHE A 346 2.914 -33.886 14.612 1.00 0.13 H \nATOM 3636 H PHE A 346 4.690 -35.415 16.082 1.00 0.27 H \nATOM 3637 N THR A 347 7.068 -32.824 17.472 1.00 -0.42 N \nATOM 3638 CA THR A 347 7.239 -32.538 18.876 1.00 -0.04 C \nATOM 3639 C THR A 347 7.144 -31.037 19.127 1.00 0.60 C \nATOM 3640 O THR A 347 7.513 -30.230 18.275 1.00 -0.57 O \nATOM 3641 CB THR A 347 8.605 -33.030 19.353 1.00 0.37 C \nATOM 3642 OG1 THR A 347 9.627 -32.383 18.584 1.00 -0.68 O \nATOM 3643 CG2 THR A 347 8.715 -34.535 19.170 1.00 -0.24 C \nATOM 3644 HA THR A 347 6.449 -33.051 19.444 1.00 0.10 H \nATOM 3645 HB THR A 347 8.732 -32.782 20.417 1.00 0.00 H \nATOM 3646 HG1 THR A 347 10.480 -32.684 18.875 1.00 0.41 H \nATOM 3647 HG23 THR A 347 8.504 -35.037 20.126 1.00 0.06 H \nATOM 3648 HG21 THR A 347 7.988 -34.866 18.414 1.00 0.06 H \nATOM 3649 HG22 THR A 347 9.732 -34.791 18.838 1.00 0.06 H \nATOM 3650 H THR A 347 7.638 -32.350 16.801 1.00 0.27 H \nATOM 3651 N PHE A 348 6.643 -30.671 20.300 1.00 -0.42 N \nATOM 3652 CA PHE A 348 6.634 -29.285 20.730 1.00 -0.00 C \nATOM 3653 C PHE A 348 7.932 -28.939 21.449 1.00 0.60 C \nATOM 3654 O PHE A 348 8.386 -29.692 22.306 1.00 -0.57 O \nATOM 3655 CB PHE A 348 5.497 -29.063 21.707 1.00 -0.03 C \nATOM 3656 CG PHE A 348 4.140 -29.126 21.090 1.00 0.01 C \nATOM 3657 CD1 PHE A 348 3.270 -30.157 21.409 1.00 -0.13 C \nATOM 3658 CD2 PHE A 348 3.717 -28.137 20.211 1.00 -0.13 C \nATOM 3659 CE1 PHE A 348 2.002 -30.209 20.853 1.00 -0.17 C \nATOM 3660 CE2 PHE A 348 2.452 -28.177 19.660 1.00 -0.17 C \nATOM 3661 CZ PHE A 348 1.591 -29.215 19.976 1.00 -0.11 C \nATOM 3662 HA PHE A 348 6.509 -28.632 19.854 1.00 0.10 H \nATOM 3663 HB2 PHE A 348 5.557 -29.835 22.488 1.00 0.03 H \nATOM 3664 HB3 PHE A 348 5.623 -28.070 22.163 1.00 0.03 H \nATOM 3665 HD2 PHE A 348 4.388 -27.325 19.955 1.00 0.13 H \nATOM 3666 HE2 PHE A 348 2.132 -27.396 18.980 1.00 0.14 H \nATOM 3667 HZ PHE A 348 0.599 -29.251 19.540 1.00 0.13 H \nATOM 3668 HE1 PHE A 348 1.332 -31.024 21.102 1.00 0.14 H \nATOM 3669 HD1 PHE A 348 3.585 -30.930 22.100 1.00 0.13 H \nATOM 3670 H PHE A 348 6.261 -31.370 20.905 1.00 0.27 H \nATOM 3671 N PRO A 349 8.540 -27.794 21.110 1.00 -0.25 N \nATOM 3672 CA PRO A 349 9.632 -27.315 21.963 1.00 -0.03 C \nATOM 3673 C PRO A 349 9.104 -27.008 23.371 1.00 0.59 C \nATOM 3674 O PRO A 349 7.898 -26.793 23.560 1.00 -0.57 O \nATOM 3675 CB PRO A 349 10.089 -26.032 21.262 1.00 -0.01 C \nATOM 3676 CG PRO A 349 9.667 -26.211 19.833 1.00 0.02 C \nATOM 3677 CD PRO A 349 8.380 -26.978 19.896 1.00 0.02 C \nATOM 3678 HA PRO A 349 10.448 -28.050 22.021 1.00 0.06 H \nATOM 3679 HD3 PRO A 349 8.254 -27.613 19.007 1.00 0.04 H \nATOM 3680 HD2 PRO A 349 7.519 -26.299 19.987 1.00 0.04 H \nATOM 3681 HG3 PRO A 349 10.427 -26.778 19.275 1.00 0.02 H \nATOM 3682 HG2 PRO A 349 9.511 -25.234 19.352 1.00 0.02 H \nATOM 3683 HB2 PRO A 349 9.599 -25.152 21.704 1.00 0.03 H \nATOM 3684 HB3 PRO A 349 11.181 -25.918 21.333 1.00 0.03 H \nATOM 3685 N ASP A 350 9.992 -26.991 24.355 1.00 -0.52 N \nATOM 3686 CA ASP A 350 9.551 -26.843 25.733 1.00 0.04 C \nATOM 3687 C ASP A 350 8.853 -25.515 25.988 1.00 0.54 C \nATOM 3688 O ASP A 350 7.993 -25.419 26.865 1.00 -0.58 O \nATOM 3689 CB ASP A 350 10.718 -27.051 26.696 1.00 -0.03 C \nATOM 3690 CG ASP A 350 11.087 -28.516 26.844 1.00 0.80 C \nATOM 3691 OD1 ASP A 350 12.058 -28.822 27.567 1.00 -0.80 O \nATOM 3692 OD2 ASP A 350 10.398 -29.365 26.231 1.00 -0.80 O \nATOM 3693 HA ASP A 350 8.816 -27.638 25.927 1.00 0.09 H \nATOM 3694 HB2 ASP A 350 11.592 -26.502 26.316 1.00 -0.01 H \nATOM 3695 HB3 ASP A 350 10.437 -26.655 27.683 1.00 -0.01 H \nATOM 3696 H ASP A 350 10.967 -27.080 24.150 1.00 0.29 H \nATOM 3697 N PHE A 351 9.199 -24.502 25.199 1.00 -0.42 N \nATOM 3698 CA PHE A 351 8.673 -23.156 25.415 1.00 -0.00 C \nATOM 3699 C PHE A 351 7.246 -22.925 24.902 1.00 0.60 C \nATOM 3700 O PHE A 351 6.660 -21.873 25.163 1.00 -0.57 O \nATOM 3701 CB PHE A 351 9.631 -22.098 24.852 1.00 -0.03 C \nATOM 3702 CG PHE A 351 9.756 -22.116 23.354 1.00 0.01 C \nATOM 3703 CD1 PHE A 351 10.885 -22.643 22.747 1.00 -0.13 C \nATOM 3704 CD2 PHE A 351 8.750 -21.593 22.554 1.00 -0.13 C \nATOM 3705 CE1 PHE A 351 11.010 -22.657 21.366 1.00 -0.17 C \nATOM 3706 CE2 PHE A 351 8.860 -21.611 21.171 1.00 -0.17 C \nATOM 3707 CZ PHE A 351 9.993 -22.138 20.576 1.00 -0.11 C \nATOM 3708 HA PHE A 351 8.636 -23.011 26.505 1.00 0.10 H \nATOM 3709 HB2 PHE A 351 9.267 -21.106 25.156 1.00 0.03 H \nATOM 3710 HB3 PHE A 351 10.628 -22.271 25.284 1.00 0.03 H \nATOM 3711 HD2 PHE A 351 7.867 -21.165 23.015 1.00 0.13 H \nATOM 3712 HE2 PHE A 351 8.060 -21.213 20.558 1.00 0.14 H \nATOM 3713 HZ PHE A 351 10.086 -22.146 19.496 1.00 0.13 H \nATOM 3714 HE1 PHE A 351 11.899 -23.072 20.905 1.00 0.14 H \nATOM 3715 HD1 PHE A 351 11.681 -23.050 23.360 1.00 0.13 H \nATOM 3716 H PHE A 351 9.832 -24.665 24.442 1.00 0.27 H \nATOM 3717 N VAL A 352 6.687 -23.892 24.178 1.00 -0.42 N \nATOM 3718 CA VAL A 352 5.296 -23.783 23.738 1.00 -0.09 C \nATOM 3719 C VAL A 352 4.360 -24.079 24.904 1.00 0.60 C \nATOM 3720 O VAL A 352 4.435 -25.146 25.514 1.00 -0.57 O \nATOM 3721 CB VAL A 352 4.979 -24.733 22.557 1.00 0.30 C \nATOM 3722 CG1 VAL A 352 3.531 -24.561 22.101 1.00 -0.32 C \nATOM 3723 CG2 VAL A 352 5.948 -24.489 21.407 1.00 -0.32 C \nATOM 3724 HA VAL A 352 5.123 -22.750 23.402 1.00 0.10 H \nATOM 3725 HB VAL A 352 5.109 -25.769 22.902 1.00 -0.03 H \nATOM 3726 HG11 VAL A 352 3.367 -23.520 21.785 1.00 0.08 H \nATOM 3727 HG12 VAL A 352 3.330 -25.236 21.256 1.00 0.08 H \nATOM 3728 HG13 VAL A 352 2.853 -24.803 22.933 1.00 0.08 H \nATOM 3729 HG21 VAL A 352 6.978 -24.663 21.752 1.00 0.08 H \nATOM 3730 HG22 VAL A 352 5.717 -25.177 20.581 1.00 0.08 H \nATOM 3731 HG23 VAL A 352 5.849 -23.451 21.058 1.00 0.08 H \nATOM 3732 H VAL A 352 7.223 -24.700 23.933 1.00 0.27 H \nATOM 3733 N THR A 353 3.476 -23.134 25.206 1.00 -0.42 N \nATOM 3734 CA THR A 353 2.608 -23.252 26.367 1.00 -0.04 C \nATOM 3735 C THR A 353 1.488 -24.282 26.171 1.00 0.60 C \nATOM 3736 O THR A 353 1.216 -24.717 25.049 1.00 -0.57 O \nATOM 3737 CB THR A 353 2.008 -21.886 26.763 1.00 0.37 C \nATOM 3738 OG1 THR A 353 0.992 -21.516 25.824 1.00 -0.68 O \nATOM 3739 CG2 THR A 353 3.096 -20.814 26.811 1.00 -0.24 C \nATOM 3740 HA THR A 353 3.231 -23.599 27.204 1.00 0.10 H \nATOM 3741 HB THR A 353 1.555 -21.974 27.762 1.00 0.00 H \nATOM 3742 HG1 THR A 353 0.625 -20.675 26.070 1.00 0.41 H \nATOM 3743 HG23 THR A 353 3.419 -20.665 27.852 1.00 0.06 H \nATOM 3744 HG21 THR A 353 3.955 -21.136 26.203 1.00 0.06 H \nATOM 3745 HG22 THR A 353 2.698 -19.869 26.412 1.00 0.06 H \nATOM 3746 H THR A 353 3.406 -22.325 24.623 1.00 0.27 H \nATOM 3747 N GLU A 354 0.844 -24.661 27.274 1.00 -0.52 N \nATOM 3748 CA GLU A 354 -0.159 -25.720 27.262 1.00 0.04 C \nATOM 3749 C GLU A 354 -1.363 -25.380 26.372 1.00 0.54 C \nATOM 3750 O GLU A 354 -1.888 -26.243 25.666 1.00 -0.58 O \nATOM 3751 CB GLU A 354 -0.611 -26.062 28.694 1.00 0.06 C \nATOM 3752 CG GLU A 354 0.480 -26.686 29.583 1.00 0.01 C \nATOM 3753 CD GLU A 354 0.787 -28.132 29.214 1.00 0.81 C \nATOM 3754 OE1 GLU A 354 0.076 -28.695 28.348 1.00 -0.82 O \nATOM 3755 OE2 GLU A 354 1.738 -28.710 29.787 1.00 -0.82 O \nATOM 3756 HA GLU A 354 0.317 -26.617 26.840 1.00 0.11 H \nATOM 3757 HB2 GLU A 354 -0.956 -25.135 29.175 1.00 -0.02 H \nATOM 3758 HB3 GLU A 354 -1.447 -26.773 28.628 1.00 -0.02 H \nATOM 3759 HG2 GLU A 354 1.401 -26.093 29.478 1.00 -0.04 H \nATOM 3760 HG3 GLU A 354 0.141 -26.655 30.629 1.00 -0.04 H \nATOM 3761 H GLU A 354 1.055 -24.205 28.138 1.00 0.29 H \nATOM 3762 N GLY A 355 -1.795 -24.126 26.409 1.00 -0.42 N \nATOM 3763 CA GLY A 355 -2.918 -23.694 25.597 1.00 -0.03 C \nATOM 3764 C GLY A 355 -2.630 -23.785 24.105 1.00 0.60 C \nATOM 3765 O GLY A 355 -3.507 -24.132 23.313 1.00 -0.57 O \nATOM 3766 HA3 GLY A 355 -3.785 -24.330 25.828 1.00 0.07 H \nATOM 3767 HA2 GLY A 355 -3.153 -22.649 25.847 1.00 0.07 H \nATOM 3768 H GLY A 355 -1.339 -23.467 27.007 1.00 0.27 H \nATOM 3769 N ALA A 356 -1.398 -23.472 23.720 1.00 -0.42 N \nATOM 3770 CA ALA A 356 -1.008 -23.545 22.320 1.00 0.03 C \nATOM 3771 C ALA A 356 -0.898 -25.000 21.883 1.00 0.60 C \nATOM 3772 O ALA A 356 -1.307 -25.358 20.779 1.00 -0.57 O \nATOM 3773 CB ALA A 356 0.310 -22.821 22.089 1.00 -0.18 C \nATOM 3774 HA ALA A 356 -1.785 -23.055 21.715 1.00 0.08 H \nATOM 3775 HB1 ALA A 356 0.584 -22.889 21.026 1.00 0.06 H \nATOM 3776 HB2 ALA A 356 0.202 -21.764 22.373 1.00 0.06 H \nATOM 3777 HB3 ALA A 356 1.096 -23.287 22.701 1.00 0.06 H \nATOM 3778 H ALA A 356 -0.728 -23.182 24.403 1.00 0.27 H \nATOM 3779 N ARG A 357 -0.336 -25.834 22.752 1.00 -0.35 N \nATOM 3780 CA ARG A 357 -0.226 -27.258 22.474 1.00 -0.26 C \nATOM 3781 C ARG A 357 -1.613 -27.849 22.280 1.00 0.73 C \nATOM 3782 O ARG A 357 -1.827 -28.698 21.419 1.00 -0.59 O \nATOM 3783 CB ARG A 357 0.484 -27.980 23.616 1.00 -0.00 C \nATOM 3784 CG ARG A 357 1.975 -27.712 23.696 1.00 0.04 C \nATOM 3785 CD ARG A 357 2.552 -28.350 24.949 1.00 0.05 C \nATOM 3786 NE ARG A 357 3.948 -27.984 25.172 1.00 -0.53 N \nATOM 3787 CZ ARG A 357 4.958 -28.850 25.187 1.00 0.81 C \nATOM 3788 NH1 ARG A 357 4.729 -30.144 24.989 1.00 -0.86 N \nATOM 3789 NH2 ARG A 357 6.199 -28.422 25.403 1.00 -0.86 N \nATOM 3790 HA ARG A 357 0.356 -27.396 21.551 1.00 0.16 H \nATOM 3791 HB2 ARG A 357 0.026 -27.660 24.563 1.00 0.03 H \nATOM 3792 HB3 ARG A 357 0.336 -29.062 23.484 1.00 0.03 H \nATOM 3793 HG2 ARG A 357 2.469 -28.137 22.810 1.00 0.03 H \nATOM 3794 HG3 ARG A 357 2.149 -26.626 23.727 1.00 0.03 H \nATOM 3795 HD2 ARG A 357 1.959 -28.023 25.816 1.00 0.07 H \nATOM 3796 HD3 ARG A 357 2.486 -29.444 24.850 1.00 0.07 H \nATOM 3797 HE ARG A 357 4.165 -26.989 25.328 1.00 0.35 H \nATOM 3798 HH12 ARG A 357 5.512 -30.813 25.001 1.00 0.45 H \nATOM 3799 HH11 ARG A 357 3.769 -30.478 24.824 1.00 0.45 H \nATOM 3800 HH22 ARG A 357 6.980 -29.093 25.414 1.00 0.45 H \nATOM 3801 HH21 ARG A 357 6.378 -27.420 25.559 1.00 0.45 H \nATOM 3802 H ARG A 357 0.019 -25.475 23.615 1.00 0.27 H \nATOM 3803 N ASP A 358 -2.565 -27.400 23.083 1.00 -0.52 N \nATOM 3804 CA ASP A 358 -3.897 -27.965 22.992 1.00 0.04 C \nATOM 3805 C ASP A 358 -4.533 -27.620 21.647 1.00 0.54 C \nATOM 3806 O ASP A 358 -5.080 -28.489 20.965 1.00 -0.58 O \nATOM 3807 CB ASP A 358 -4.794 -27.489 24.137 1.00 -0.03 C \nATOM 3808 CG ASP A 358 -6.193 -28.069 24.041 1.00 0.80 C \nATOM 3809 OD1 ASP A 358 -6.342 -29.294 24.236 1.00 -0.80 O \nATOM 3810 OD2 ASP A 358 -7.141 -27.315 23.742 1.00 -0.80 O \nATOM 3811 HA ASP A 358 -3.807 -29.059 23.061 1.00 0.09 H \nATOM 3812 HB2 ASP A 358 -4.346 -27.799 25.092 1.00 -0.01 H \nATOM 3813 HB3 ASP A 358 -4.861 -26.392 24.103 1.00 -0.01 H \nATOM 3814 H ASP A 358 -2.367 -26.678 23.746 1.00 0.29 H \nATOM 3815 N LEU A 359 -4.459 -26.344 21.278 1.00 -0.42 N \nATOM 3816 CA LEU A 359 -5.049 -25.867 20.037 1.00 -0.05 C \nATOM 3817 C LEU A 359 -4.368 -26.515 18.831 1.00 0.60 C \nATOM 3818 O LEU A 359 -5.038 -27.035 17.944 1.00 -0.57 O \nATOM 3819 CB LEU A 359 -4.982 -24.336 19.976 1.00 -0.11 C \nATOM 3820 CG LEU A 359 -5.703 -23.528 18.878 1.00 0.35 C \nATOM 3821 CD1 LEU A 359 -4.712 -22.940 17.908 1.00 -0.41 C \nATOM 3822 CD2 LEU A 359 -6.809 -24.303 18.163 1.00 -0.41 C \nATOM 3823 HA LEU A 359 -6.109 -26.161 20.025 1.00 0.09 H \nATOM 3824 HB2 LEU A 359 -5.378 -23.972 20.936 1.00 0.05 H \nATOM 3825 HB3 LEU A 359 -3.916 -24.078 19.898 1.00 0.05 H \nATOM 3826 HG LEU A 359 -6.195 -22.684 19.383 1.00 -0.04 H \nATOM 3827 HD21 LEU A 359 -7.566 -24.620 18.895 1.00 0.10 H \nATOM 3828 HD22 LEU A 359 -7.279 -23.658 17.406 1.00 0.10 H \nATOM 3829 HD23 LEU A 359 -6.378 -25.189 17.673 1.00 0.10 H \nATOM 3830 HD11 LEU A 359 -4.132 -23.749 17.441 1.00 0.10 H \nATOM 3831 HD12 LEU A 359 -5.250 -22.378 17.130 1.00 0.10 H \nATOM 3832 HD13 LEU A 359 -4.031 -22.263 18.445 1.00 0.10 H \nATOM 3833 H LEU A 359 -3.984 -25.694 21.871 1.00 0.27 H \nATOM 3834 N ILE A 360 -3.041 -26.514 18.813 1.00 -0.42 N \nATOM 3835 CA ILE A 360 -2.318 -27.091 17.688 1.00 -0.06 C \nATOM 3836 C ILE A 360 -2.634 -28.590 17.551 1.00 0.60 C \nATOM 3837 O ILE A 360 -2.891 -29.080 16.453 1.00 -0.57 O \nATOM 3838 CB ILE A 360 -0.796 -26.826 17.797 1.00 0.13 C \nATOM 3839 CG1 ILE A 360 -0.512 -25.341 17.569 1.00 -0.04 C \nATOM 3840 CG2 ILE A 360 -0.003 -27.667 16.791 1.00 -0.32 C \nATOM 3841 CD1 ILE A 360 0.955 -24.968 17.725 1.00 -0.07 C \nATOM 3842 HA ILE A 360 -2.673 -26.593 16.774 1.00 0.09 H \nATOM 3843 HB ILE A 360 -0.468 -27.097 18.811 1.00 0.02 H \nATOM 3844 HG12 ILE A 360 -0.830 -25.079 16.549 1.00 0.02 H \nATOM 3845 HG13 ILE A 360 -1.097 -24.760 18.297 1.00 0.02 H \nATOM 3846 HD11 ILE A 360 1.557 -25.540 17.004 1.00 0.02 H \nATOM 3847 HD12 ILE A 360 1.082 -23.892 17.537 1.00 0.02 H \nATOM 3848 HD13 ILE A 360 1.286 -25.203 18.747 1.00 0.02 H \nATOM 3849 HG21 ILE A 360 -0.333 -27.425 15.770 1.00 0.09 H \nATOM 3850 HG22 ILE A 360 1.069 -27.444 16.892 1.00 0.09 H \nATOM 3851 HG23 ILE A 360 -0.176 -28.735 16.989 1.00 0.09 H \nATOM 3852 H ILE A 360 -2.534 -26.114 19.577 1.00 0.27 H \nATOM 3853 N SER A 361 -2.630 -29.302 18.677 1.00 -0.42 N \nATOM 3854 CA SER A 361 -2.945 -30.726 18.710 1.00 -0.02 C \nATOM 3855 C SER A 361 -4.351 -31.035 18.217 1.00 0.60 C \nATOM 3856 O SER A 361 -4.563 -32.058 17.576 1.00 -0.57 O \nATOM 3857 CB SER A 361 -2.771 -31.288 20.125 1.00 0.21 C \nATOM 3858 OG SER A 361 -1.396 -31.374 20.463 1.00 -0.65 O \nATOM 3859 HA SER A 361 -2.234 -31.239 18.045 1.00 0.08 H \nATOM 3860 HB2 SER A 361 -3.279 -30.626 20.842 1.00 0.04 H \nATOM 3861 HB3 SER A 361 -3.218 -32.292 20.173 1.00 0.04 H \nATOM 3862 HG SER A 361 -1.307 -31.724 21.342 1.00 0.43 H \nATOM 3863 H SER A 361 -2.402 -28.841 19.535 1.00 0.27 H \nATOM 3864 N ARG A 362 -5.309 -30.166 18.530 1.00 -0.35 N \nATOM 3865 CA ARG A 362 -6.670 -30.325 18.024 1.00 -0.26 C \nATOM 3866 C ARG A 362 -6.755 -30.062 16.521 1.00 0.73 C \nATOM 3867 O ARG A 362 -7.626 -30.595 15.841 1.00 -0.59 O \nATOM 3868 CB ARG A 362 -7.633 -29.393 18.750 1.00 -0.00 C \nATOM 3869 CG ARG A 362 -7.858 -29.752 20.197 1.00 0.04 C \nATOM 3870 CD ARG A 362 -8.846 -28.805 20.847 1.00 0.05 C \nATOM 3871 NE ARG A 362 -8.925 -29.064 22.280 1.00 -0.53 N \nATOM 3872 CZ ARG A 362 -9.761 -29.935 22.835 1.00 0.81 C \nATOM 3873 NH1 ARG A 362 -10.609 -30.621 22.078 1.00 -0.86 N \nATOM 3874 NH2 ARG A 362 -9.755 -30.114 24.150 1.00 -0.86 N \nATOM 3875 HA ARG A 362 -6.982 -31.363 18.211 1.00 0.16 H \nATOM 3876 HB2 ARG A 362 -7.226 -28.372 18.706 1.00 0.03 H \nATOM 3877 HB3 ARG A 362 -8.602 -29.424 18.231 1.00 0.03 H \nATOM 3878 HG2 ARG A 362 -8.251 -30.778 20.256 1.00 0.03 H \nATOM 3879 HG3 ARG A 362 -6.900 -29.696 20.734 1.00 0.03 H \nATOM 3880 HD2 ARG A 362 -8.517 -27.768 20.683 1.00 0.07 H \nATOM 3881 HD3 ARG A 362 -9.839 -28.950 20.396 1.00 0.07 H \nATOM 3882 HE ARG A 362 -8.293 -28.539 22.901 1.00 0.35 H \nATOM 3883 HH12 ARG A 362 -11.256 -31.296 22.511 1.00 0.45 H \nATOM 3884 HH11 ARG A 362 -10.620 -30.479 21.058 1.00 0.45 H \nATOM 3885 HH22 ARG A 362 -10.403 -30.789 24.581 1.00 0.45 H \nATOM 3886 HH21 ARG A 362 -9.103 -29.578 24.740 1.00 0.45 H \nATOM 3887 H ARG A 362 -5.093 -29.390 19.123 1.00 0.27 H \nATOM 3888 N LEU A 363 -5.845 -29.237 16.012 1.00 -0.42 N \nATOM 3889 CA LEU A 363 -5.829 -28.878 14.599 1.00 -0.05 C \nATOM 3890 C LEU A 363 -5.140 -29.945 13.750 1.00 0.60 C \nATOM 3891 O LEU A 363 -5.571 -30.230 12.634 1.00 -0.57 O \nATOM 3892 CB LEU A 363 -5.124 -27.532 14.409 1.00 -0.11 C \nATOM 3893 CG LEU A 363 -5.941 -26.252 14.186 1.00 0.35 C \nATOM 3894 CD1 LEU A 363 -7.433 -26.443 14.379 1.00 -0.41 C \nATOM 3895 CD2 LEU A 363 -5.400 -25.138 15.063 1.00 -0.41 C \nATOM 3896 HA LEU A 363 -6.870 -28.782 14.256 1.00 0.09 H \nATOM 3897 HB2 LEU A 363 -4.515 -27.365 15.310 1.00 0.05 H \nATOM 3898 HB3 LEU A 363 -4.465 -27.642 13.535 1.00 0.05 H \nATOM 3899 HG LEU A 363 -5.792 -25.951 13.139 1.00 -0.04 H \nATOM 3900 HD21 LEU A 363 -4.345 -24.954 14.813 1.00 0.10 H \nATOM 3901 HD22 LEU A 363 -5.982 -24.221 14.892 1.00 0.10 H \nATOM 3902 HD23 LEU A 363 -5.481 -25.431 16.120 1.00 0.10 H \nATOM 3903 HD11 LEU A 363 -7.628 -26.793 15.403 1.00 0.10 H \nATOM 3904 HD12 LEU A 363 -7.950 -25.486 14.214 1.00 0.10 H \nATOM 3905 HD13 LEU A 363 -7.803 -27.189 13.660 1.00 0.10 H \nATOM 3906 H LEU A 363 -5.149 -28.850 16.618 1.00 0.27 H \nATOM 3907 N LEU A 364 -4.070 -30.532 14.282 1.00 -0.42 N \nATOM 3908 CA LEU A 364 -3.282 -31.507 13.531 1.00 -0.05 C \nATOM 3909 C LEU A 364 -3.712 -32.958 13.785 1.00 0.60 C \nATOM 3910 O LEU A 364 -2.876 -33.828 14.017 1.00 -0.57 O \nATOM 3911 CB LEU A 364 -1.795 -31.341 13.839 1.00 -0.11 C \nATOM 3912 CG LEU A 364 -1.179 -29.999 13.449 1.00 0.35 C \nATOM 3913 CD1 LEU A 364 0.296 -29.962 13.828 1.00 -0.41 C \nATOM 3914 CD2 LEU A 364 -1.373 -29.735 11.957 1.00 -0.41 C \nATOM 3915 HA LEU A 364 -3.434 -31.300 12.461 1.00 0.09 H \nATOM 3916 HB2 LEU A 364 -1.658 -31.472 14.923 1.00 0.05 H \nATOM 3917 HB3 LEU A 364 -1.249 -32.131 13.302 1.00 0.05 H \nATOM 3918 HG LEU A 364 -1.697 -29.205 14.008 1.00 -0.04 H \nATOM 3919 HD21 LEU A 364 -2.448 -29.726 11.723 1.00 0.10 H \nATOM 3920 HD22 LEU A 364 -0.933 -28.761 11.697 1.00 0.10 H \nATOM 3921 HD23 LEU A 364 -0.878 -30.528 11.377 1.00 0.10 H \nATOM 3922 HD11 LEU A 364 0.828 -30.774 13.311 1.00 0.10 H \nATOM 3923 HD12 LEU A 364 0.727 -28.994 13.532 1.00 0.10 H \nATOM 3924 HD13 LEU A 364 0.398 -30.091 14.916 1.00 0.10 H \nATOM 3925 H LEU A 364 -3.799 -30.301 15.216 1.00 0.27 H \nATOM 3926 N LYS A 365 -5.018 -33.204 13.748 1.00 -0.35 N \nATOM 3927 CA LYS A 365 -5.561 -34.554 13.788 1.00 -0.24 C \nATOM 3928 C LYS A 365 -5.442 -35.219 12.421 1.00 0.73 C \nATOM 3929 O LYS A 365 -5.700 -34.591 11.392 1.00 -0.59 O \nATOM 3930 CB LYS A 365 -7.026 -34.513 14.203 1.00 -0.01 C \nATOM 3931 CG LYS A 365 -7.244 -34.168 15.667 1.00 0.02 C \nATOM 3932 CD LYS A 365 -6.648 -35.234 16.564 1.00 -0.05 C \nATOM 3933 CE LYS A 365 -6.955 -34.972 18.016 1.00 -0.01 C \nATOM 3934 NZ LYS A 365 -6.020 -35.740 18.882 1.00 -0.39 N \nATOM 3935 HA LYS A 365 -4.995 -35.144 14.524 1.00 0.14 H \nATOM 3936 HB2 LYS A 365 -7.538 -33.757 13.589 1.00 0.04 H \nATOM 3937 HB3 LYS A 365 -7.468 -35.502 14.011 1.00 0.04 H \nATOM 3938 HG2 LYS A 365 -6.764 -33.203 15.886 1.00 0.01 H \nATOM 3939 HG3 LYS A 365 -8.324 -34.094 15.863 1.00 0.01 H \nATOM 3940 HD2 LYS A 365 -7.065 -36.212 16.282 1.00 0.06 H \nATOM 3941 HD3 LYS A 365 -5.557 -35.247 16.427 1.00 0.06 H \nATOM 3942 HE2 LYS A 365 -6.844 -33.897 18.223 1.00 0.11 H \nATOM 3943 HE3 LYS A 365 -7.988 -35.282 18.231 1.00 0.11 H \nATOM 3944 HZ1 LYS A 365 -5.072 -35.463 18.681 1.00 0.34 H \nATOM 3945 HZ2 LYS A 365 -6.227 -35.551 19.850 1.00 0.34 H \nATOM 3946 HZ3 LYS A 365 -6.128 -36.726 18.702 1.00 0.34 H \nATOM 3947 H LYS A 365 -5.651 -32.432 13.691 1.00 0.27 H \nATOM 3948 N HIS A 366 -5.053 -36.491 12.409 1.00 -0.42 N \nATOM 3949 CA HIS A 366 -4.934 -37.230 11.155 1.00 0.02 C \nATOM 3950 C HIS A 366 -6.287 -37.363 10.464 1.00 0.60 C \nATOM 3951 O HIS A 366 -6.408 -37.102 9.278 1.00 -0.57 O \nATOM 3952 CB HIS A 366 -4.319 -38.614 11.379 1.00 -0.05 C \nATOM 3953 CG HIS A 366 -3.994 -39.337 10.108 1.00 -0.03 C \nATOM 3954 ND1 HIS A 366 -4.954 -39.964 9.342 1.00 -0.38 N \nATOM 3955 CD2 HIS A 366 -2.819 -39.520 9.461 1.00 0.13 C \nATOM 3956 CE1 HIS A 366 -4.382 -40.505 8.280 1.00 0.21 C \nATOM 3957 NE2 HIS A 366 -3.087 -40.252 8.329 1.00 -0.57 N \nATOM 3958 HA HIS A 366 -4.265 -36.663 10.491 1.00 0.09 H \nATOM 3959 HB2 HIS A 366 -3.391 -38.493 11.958 1.00 0.04 H \nATOM 3960 HB3 HIS A 366 -5.033 -39.223 11.953 1.00 0.04 H \nATOM 3961 HD2 HIS A 366 -1.843 -39.155 9.778 1.00 0.11 H \nATOM 3962 HE1 HIS A 366 -4.892 -41.064 7.497 1.00 0.14 H \nATOM 3963 HD1 HIS A 366 -5.959 -40.004 9.563 1.00 0.36 H \nATOM 3964 H HIS A 366 -4.839 -36.948 13.272 1.00 0.27 H \nATOM 3965 N ASN A 367 -7.300 -37.773 11.212 1.00 -0.42 N \nATOM 3966 CA ASN A 367 -8.651 -37.851 10.682 1.00 0.01 C \nATOM 3967 C ASN A 367 -9.256 -36.452 10.577 1.00 0.60 C \nATOM 3968 O ASN A 367 -9.483 -35.793 11.590 1.00 -0.57 O \nATOM 3969 CB ASN A 367 -9.509 -38.753 11.578 1.00 -0.20 C \nATOM 3970 CG ASN A 367 -10.935 -38.910 11.067 1.00 0.71 C \nATOM 3971 OD1 ASN A 367 -11.297 -38.381 10.021 1.00 -0.59 O \nATOM 3972 ND2 ASN A 367 -11.752 -39.641 11.815 1.00 -0.92 N \nATOM 3973 HA ASN A 367 -8.611 -38.292 9.675 1.00 0.10 H \nATOM 3974 HB2 ASN A 367 -9.042 -39.748 11.626 1.00 0.08 H \nATOM 3975 HB3 ASN A 367 -9.544 -38.315 12.587 1.00 0.08 H \nATOM 3976 HD22 ASN A 367 -12.701 -39.780 11.531 1.00 0.42 H \nATOM 3977 HD21 ASN A 367 -11.419 -40.053 12.663 1.00 0.42 H \nATOM 3978 H ASN A 367 -7.132 -38.035 12.162 1.00 0.27 H \nATOM 3979 N PRO A 368 -9.517 -35.993 9.344 1.00 -0.25 N \nATOM 3980 CA PRO A 368 -10.023 -34.636 9.102 1.00 -0.03 C \nATOM 3981 C PRO A 368 -11.309 -34.395 9.874 1.00 0.59 C \nATOM 3982 O PRO A 368 -11.625 -33.277 10.282 1.00 -0.57 O \nATOM 3983 CB PRO A 368 -10.322 -34.634 7.594 1.00 -0.01 C \nATOM 3984 CG PRO A 368 -9.471 -35.726 7.028 1.00 0.02 C \nATOM 3985 CD PRO A 368 -9.409 -36.778 8.101 1.00 0.02 C \nATOM 3986 HA PRO A 368 -9.274 -33.876 9.368 1.00 0.06 H \nATOM 3987 HD3 PRO A 368 -8.456 -37.327 8.062 1.00 0.04 H \nATOM 3988 HD2 PRO A 368 -10.245 -37.487 8.008 1.00 0.04 H \nATOM 3989 HG3 PRO A 368 -8.463 -35.350 6.799 1.00 0.02 H \nATOM 3990 HG2 PRO A 368 -9.926 -36.135 6.114 1.00 0.02 H \nATOM 3991 HB2 PRO A 368 -11.387 -34.840 7.411 1.00 0.03 H \nATOM 3992 HB3 PRO A 368 -10.054 -33.665 7.148 1.00 0.03 H \nATOM 3993 N SER A 369 -12.050 -35.473 10.067 1.00 -0.42 N \nATOM 3994 CA SER A 369 -13.338 -35.420 10.730 1.00 -0.02 C \nATOM 3995 C SER A 369 -13.219 -34.999 12.202 1.00 0.60 C \nATOM 3996 O SER A 369 -14.132 -34.379 12.751 1.00 -0.57 O \nATOM 3997 CB SER A 369 -14.010 -36.787 10.624 1.00 0.21 C \nATOM 3998 OG SER A 369 -15.377 -36.633 10.321 1.00 -0.65 O \nATOM 3999 HA SER A 369 -13.963 -34.678 10.212 1.00 0.08 H \nATOM 4000 HB2 SER A 369 -13.524 -37.370 9.828 1.00 0.04 H \nATOM 4001 HB3 SER A 369 -13.907 -37.318 11.582 1.00 0.04 H \nATOM 4002 HG SER A 369 -15.786 -37.488 10.257 1.00 0.43 H \nATOM 4003 H SER A 369 -11.710 -36.356 9.744 1.00 0.27 H \nATOM 4004 N GLN A 370 -12.098 -35.337 12.836 1.00 -0.42 N \nATOM 4005 CA GLN A 370 -11.880 -34.992 14.238 1.00 -0.00 C \nATOM 4006 C GLN A 370 -11.330 -33.577 14.436 1.00 0.60 C \nATOM 4007 O GLN A 370 -11.100 -33.148 15.565 1.00 -0.57 O \nATOM 4008 CB GLN A 370 -10.944 -36.004 14.896 1.00 -0.00 C \nATOM 4009 CG GLN A 370 -11.467 -37.428 14.888 1.00 -0.06 C \nATOM 4010 CD GLN A 370 -10.430 -38.428 15.358 1.00 0.70 C \nATOM 4011 OE1 GLN A 370 -9.440 -38.064 15.996 1.00 -0.61 O \nATOM 4012 NE2 GLN A 370 -10.652 -39.700 15.045 1.00 -0.94 N \nATOM 4013 HA GLN A 370 -12.854 -35.044 14.746 1.00 0.09 H \nATOM 4014 HB2 GLN A 370 -9.984 -35.986 14.360 1.00 0.02 H \nATOM 4015 HB3 GLN A 370 -10.786 -35.700 15.941 1.00 0.02 H \nATOM 4016 HG2 GLN A 370 -12.341 -37.487 15.553 1.00 0.04 H \nATOM 4017 HG3 GLN A 370 -11.768 -37.688 13.862 1.00 0.04 H \nATOM 4018 HE22 GLN A 370 -10.002 -40.405 15.328 1.00 0.43 H \nATOM 4019 HE21 GLN A 370 -11.469 -39.952 14.526 1.00 0.43 H \nATOM 4020 H GLN A 370 -11.389 -35.839 12.341 1.00 0.27 H \nATOM 4021 N ARG A 371 -11.104 -32.852 13.348 1.00 -0.35 N \nATOM 4022 CA ARG A 371 -10.638 -31.480 13.477 1.00 -0.26 C \nATOM 4023 C ARG A 371 -11.779 -30.559 13.887 1.00 0.73 C \nATOM 4024 O ARG A 371 -12.937 -30.798 13.543 1.00 -0.59 O \nATOM 4025 CB ARG A 371 -9.993 -30.998 12.183 1.00 -0.00 C \nATOM 4026 CG ARG A 371 -8.612 -31.580 11.947 1.00 0.04 C \nATOM 4027 CD ARG A 371 -8.202 -31.413 10.493 1.00 0.05 C \nATOM 4028 NE ARG A 371 -7.296 -32.475 10.083 1.00 -0.53 N \nATOM 4029 CZ ARG A 371 -7.048 -32.805 8.819 1.00 0.81 C \nATOM 4030 NH1 ARG A 371 -6.210 -33.797 8.550 1.00 -0.86 N \nATOM 4031 NH2 ARG A 371 -7.634 -32.146 7.826 1.00 -0.86 N \nATOM 4032 HA ARG A 371 -9.875 -31.452 14.269 1.00 0.16 H \nATOM 4033 HB2 ARG A 371 -10.641 -31.285 11.342 1.00 0.03 H \nATOM 4034 HB3 ARG A 371 -9.908 -29.902 12.223 1.00 0.03 H \nATOM 4035 HG2 ARG A 371 -7.886 -31.060 12.589 1.00 0.03 H \nATOM 4036 HG3 ARG A 371 -8.623 -32.651 12.199 1.00 0.03 H \nATOM 4037 HD2 ARG A 371 -9.101 -31.442 9.860 1.00 0.07 H \nATOM 4038 HD3 ARG A 371 -7.698 -30.443 10.370 1.00 0.07 H \nATOM 4039 HE ARG A 371 -6.814 -33.007 10.822 1.00 0.35 H \nATOM 4040 HH12 ARG A 371 -6.015 -34.056 7.572 1.00 0.45 H \nATOM 4041 HH11 ARG A 371 -5.754 -34.309 9.319 1.00 0.45 H \nATOM 4042 HH22 ARG A 371 -7.438 -32.406 6.849 1.00 0.45 H \nATOM 4043 HH21 ARG A 371 -8.285 -31.375 8.033 1.00 0.45 H \nATOM 4044 H ARG A 371 -11.254 -33.248 12.442 1.00 0.27 H \nATOM 4045 N PRO A 372 -11.448 -29.505 14.638 1.00 -0.25 N \nATOM 4046 CA PRO A 372 -12.400 -28.510 15.136 1.00 -0.03 C \nATOM 4047 C PRO A 372 -13.069 -27.759 14.000 1.00 0.59 C \nATOM 4048 O PRO A 372 -12.532 -27.670 12.893 1.00 -0.57 O \nATOM 4049 CB PRO A 372 -11.511 -27.520 15.899 1.00 -0.01 C \nATOM 4050 CG PRO A 372 -10.253 -28.248 16.179 1.00 0.02 C \nATOM 4051 CD PRO A 372 -10.067 -29.217 15.058 1.00 0.02 C \nATOM 4052 HA PRO A 372 -13.156 -28.972 15.787 1.00 0.06 H \nATOM 4053 HD3 PRO A 372 -9.560 -30.130 15.404 1.00 0.04 H \nATOM 4054 HD2 PRO A 372 -9.490 -28.766 14.237 1.00 0.04 H \nATOM 4055 HG3 PRO A 372 -10.329 -28.784 17.136 1.00 0.02 H \nATOM 4056 HG2 PRO A 372 -9.408 -27.545 16.218 1.00 0.02 H \nATOM 4057 HB2 PRO A 372 -11.311 -26.630 15.284 1.00 0.03 H \nATOM 4058 HB3 PRO A 372 -11.995 -27.215 16.838 1.00 0.03 H \nATOM 4059 N MET A 373 -14.238 -27.202 14.275 1.00 -0.42 N \nATOM 4060 CA MET A 373 -14.821 -26.253 13.354 1.00 -0.02 C \nATOM 4061 C MET A 373 -14.136 -24.919 13.586 1.00 0.60 C \nATOM 4062 O MET A 373 -13.572 -24.689 14.655 1.00 -0.57 O \nATOM 4063 CB MET A 373 -16.319 -26.152 13.588 1.00 0.03 C \nATOM 4064 CG MET A 373 -17.029 -27.464 13.338 1.00 0.00 C \nATOM 4065 SD MET A 373 -18.754 -27.210 12.929 1.00 -0.27 S \nATOM 4066 CE MET A 373 -19.199 -25.976 14.152 1.00 -0.05 C \nATOM 4067 HA MET A 373 -14.643 -26.582 12.320 1.00 0.09 H \nATOM 4068 HB2 MET A 373 -16.494 -25.848 14.630 1.00 0.02 H \nATOM 4069 HB3 MET A 373 -16.732 -25.391 12.910 1.00 0.02 H \nATOM 4070 HG2 MET A 373 -16.536 -27.983 12.503 1.00 0.04 H \nATOM 4071 HG3 MET A 373 -16.964 -28.084 14.244 1.00 0.04 H \nATOM 4072 HE1 MET A 373 -18.567 -25.085 14.021 1.00 0.07 H \nATOM 4073 HE2 MET A 373 -20.256 -25.698 14.025 1.00 0.07 H \nATOM 4074 HE3 MET A 373 -19.047 -26.388 15.161 1.00 0.07 H \nATOM 4075 H MET A 373 -14.718 -27.438 15.120 1.00 0.27 H \nATOM 4076 N LEU A 374 -14.167 -24.047 12.587 1.00 -0.42 N \nATOM 4077 CA LEU A 374 -13.529 -22.740 12.711 1.00 -0.05 C \nATOM 4078 C LEU A 374 -14.060 -21.924 13.891 1.00 0.60 C \nATOM 4079 O LEU A 374 -13.287 -21.271 14.598 1.00 -0.57 O \nATOM 4080 CB LEU A 374 -13.639 -21.966 11.402 1.00 -0.11 C \nATOM 4081 CG LEU A 374 -12.722 -22.575 10.336 1.00 0.35 C \nATOM 4082 CD1 LEU A 374 -13.036 -22.024 8.960 1.00 -0.41 C \nATOM 4083 CD2 LEU A 374 -11.243 -22.359 10.699 1.00 -0.41 C \nATOM 4084 HA LEU A 374 -12.460 -22.918 12.900 1.00 0.09 H \nATOM 4085 HB2 LEU A 374 -14.680 -22.002 11.047 1.00 0.05 H \nATOM 4086 HB3 LEU A 374 -13.347 -20.920 11.575 1.00 0.05 H \nATOM 4087 HG LEU A 374 -12.908 -23.659 10.313 1.00 -0.04 H \nATOM 4088 HD21 LEU A 374 -11.032 -22.829 11.671 1.00 0.10 H \nATOM 4089 HD22 LEU A 374 -10.606 -22.813 9.926 1.00 0.10 H \nATOM 4090 HD23 LEU A 374 -11.034 -21.281 10.760 1.00 0.10 H \nATOM 4091 HD11 LEU A 374 -12.905 -20.932 8.964 1.00 0.10 H \nATOM 4092 HD12 LEU A 374 -12.355 -22.472 8.221 1.00 0.10 H \nATOM 4093 HD13 LEU A 374 -14.076 -22.268 8.696 1.00 0.10 H \nATOM 4094 H LEU A 374 -14.634 -24.289 11.736 1.00 0.27 H \nATOM 4095 N ARG A 375 -15.369 -21.969 14.115 1.00 -0.35 N \nATOM 4096 CA ARG A 375 -15.951 -21.290 15.264 1.00 -0.26 C \nATOM 4097 C ARG A 375 -15.309 -21.782 16.564 1.00 0.73 C \nATOM 4098 O ARG A 375 -15.125 -21.010 17.501 1.00 -0.59 O \nATOM 4099 CB ARG A 375 -17.472 -21.475 15.310 1.00 -0.00 C \nATOM 4100 HA ARG A 375 -15.742 -20.215 15.165 1.00 0.16 H \nATOM 4101 HB2 ARG A 375 -17.876 -20.969 16.199 1.00 0.03 H \nATOM 4102 HB3 ARG A 375 -17.922 -21.041 14.405 1.00 0.03 H \nATOM 4103 H ARG A 375 -15.961 -22.475 13.487 1.00 0.27 H \nATOM 4104 N GLU A 376 -14.956 -23.061 16.614 1.00 -0.52 N \nATOM 4105 CA GLU A 376 -14.303 -23.616 17.798 1.00 0.04 C \nATOM 4106 C GLU A 376 -12.865 -23.125 17.959 1.00 0.54 C \nATOM 4107 O GLU A 376 -12.364 -23.021 19.082 1.00 -0.58 O \nATOM 4108 CB GLU A 376 -14.341 -25.144 17.785 1.00 0.06 C \nATOM 4109 CG GLU A 376 -15.729 -25.710 18.029 1.00 0.01 C \nATOM 4110 CD GLU A 376 -15.812 -27.211 17.795 1.00 0.81 C \nATOM 4111 OE1 GLU A 376 -15.081 -27.729 16.923 1.00 -0.82 O \nATOM 4112 OE2 GLU A 376 -16.622 -27.870 18.482 1.00 -0.82 O \nATOM 4113 HA GLU A 376 -14.870 -23.273 18.676 1.00 0.11 H \nATOM 4114 HB2 GLU A 376 -13.988 -25.494 16.804 1.00 -0.02 H \nATOM 4115 HB3 GLU A 376 -13.668 -25.517 18.571 1.00 -0.02 H \nATOM 4116 HG2 GLU A 376 -16.014 -25.502 19.071 1.00 -0.04 H \nATOM 4117 HG3 GLU A 376 -16.435 -25.210 17.349 1.00 -0.04 H \nATOM 4118 H GLU A 376 -15.140 -23.654 15.830 1.00 0.29 H \nATOM 4119 N VAL A 377 -12.196 -22.836 16.845 1.00 -0.42 N \nATOM 4120 CA VAL A 377 -10.866 -22.240 16.912 1.00 -0.09 C \nATOM 4121 C VAL A 377 -10.996 -20.822 17.460 1.00 0.60 C \nATOM 4122 O VAL A 377 -10.233 -20.409 18.330 1.00 -0.57 O \nATOM 4123 CB VAL A 377 -10.179 -22.191 15.528 1.00 0.30 C \nATOM 4124 CG1 VAL A 377 -8.940 -21.295 15.575 1.00 -0.32 C \nATOM 4125 CG2 VAL A 377 -9.822 -23.594 15.058 1.00 -0.32 C \nATOM 4126 HA VAL A 377 -10.243 -22.839 17.593 1.00 0.10 H \nATOM 4127 HB VAL A 377 -10.888 -21.758 14.807 1.00 -0.03 H \nATOM 4128 HG11 VAL A 377 -8.232 -21.687 16.320 1.00 0.08 H \nATOM 4129 HG12 VAL A 377 -8.460 -21.281 14.585 1.00 0.08 H \nATOM 4130 HG13 VAL A 377 -9.237 -20.273 15.853 1.00 0.08 H \nATOM 4131 HG21 VAL A 377 -10.736 -24.202 14.990 1.00 0.08 H \nATOM 4132 HG22 VAL A 377 -9.344 -23.539 14.069 1.00 0.08 H \nATOM 4133 HG23 VAL A 377 -9.127 -24.055 15.775 1.00 0.08 H \nATOM 4134 H VAL A 377 -12.609 -23.029 15.955 1.00 0.27 H \nATOM 4135 N LEU A 378 -11.986 -20.094 16.948 1.00 -0.42 N \nATOM 4136 CA LEU A 378 -12.244 -18.720 17.353 1.00 -0.05 C \nATOM 4137 C LEU A 378 -12.612 -18.586 18.825 1.00 0.60 C \nATOM 4138 O LEU A 378 -12.362 -17.551 19.434 1.00 -0.57 O \nATOM 4139 CB LEU A 378 -13.338 -18.105 16.476 1.00 -0.11 C \nATOM 4140 CG LEU A 378 -12.842 -17.805 15.060 1.00 0.35 C \nATOM 4141 CD1 LEU A 378 -13.984 -17.583 14.077 1.00 -0.41 C \nATOM 4142 CD2 LEU A 378 -11.884 -16.622 15.083 1.00 -0.41 C \nATOM 4143 HA LEU A 378 -11.317 -18.149 17.192 1.00 0.09 H \nATOM 4144 HB2 LEU A 378 -14.181 -18.809 16.415 1.00 0.05 H \nATOM 4145 HB3 LEU A 378 -13.677 -17.167 16.939 1.00 0.05 H \nATOM 4146 HG LEU A 378 -12.280 -18.684 14.713 1.00 -0.04 H \nATOM 4147 HD21 LEU A 378 -11.028 -16.856 15.733 1.00 0.10 H \nATOM 4148 HD22 LEU A 378 -11.525 -16.421 14.063 1.00 0.10 H \nATOM 4149 HD23 LEU A 378 -12.406 -15.735 15.470 1.00 0.10 H \nATOM 4150 HD11 LEU A 378 -14.600 -16.737 14.415 1.00 0.10 H \nATOM 4151 HD12 LEU A 378 -13.573 -17.362 13.081 1.00 0.10 H \nATOM 4152 HD13 LEU A 378 -14.604 -18.490 14.025 1.00 0.10 H \nATOM 4153 H LEU A 378 -12.577 -20.509 16.256 1.00 0.27 H \nATOM 4154 N GLU A 379 -13.204 -19.629 19.397 1.00 -0.52 N \nATOM 4155 CA GLU A 379 -13.606 -19.590 20.800 1.00 0.04 C \nATOM 4156 C GLU A 379 -12.649 -20.354 21.700 1.00 0.54 C \nATOM 4157 O GLU A 379 -12.869 -20.448 22.904 1.00 -0.58 O \nATOM 4158 CB GLU A 379 -15.009 -20.160 20.970 1.00 0.06 C \nATOM 4159 CG GLU A 379 -16.089 -19.315 20.335 1.00 0.01 C \nATOM 4160 CD GLU A 379 -17.421 -20.032 20.294 1.00 0.81 C \nATOM 4161 OE1 GLU A 379 -17.450 -21.259 20.574 1.00 -0.82 O \nATOM 4162 OE2 GLU A 379 -18.432 -19.368 19.971 1.00 -0.82 O \nATOM 4163 HA GLU A 379 -13.613 -18.538 21.121 1.00 0.11 H \nATOM 4164 HB2 GLU A 379 -15.036 -21.160 20.512 1.00 -0.02 H \nATOM 4165 HB3 GLU A 379 -15.222 -20.244 22.046 1.00 -0.02 H \nATOM 4166 HG2 GLU A 379 -16.203 -18.388 20.917 1.00 -0.04 H \nATOM 4167 HG3 GLU A 379 -15.787 -19.068 19.306 1.00 -0.04 H \nATOM 4168 H GLU A 379 -13.377 -20.453 18.858 1.00 0.29 H \nATOM 4169 N HIS A 380 -11.596 -20.916 21.120 1.00 -0.42 N \nATOM 4170 CA HIS A 380 -10.648 -21.678 21.913 1.00 0.02 C \nATOM 4171 C HIS A 380 -9.994 -20.785 22.967 1.00 0.60 C \nATOM 4172 O HIS A 380 -9.578 -19.659 22.672 1.00 -0.57 O \nATOM 4173 CB HIS A 380 -9.594 -22.324 21.024 1.00 -0.05 C \nATOM 4174 CG HIS A 380 -8.667 -23.234 21.760 1.00 -0.03 C \nATOM 4175 ND1 HIS A 380 -7.669 -22.770 22.588 1.00 -0.38 N \nATOM 4176 CD2 HIS A 380 -8.585 -24.587 21.794 1.00 0.13 C \nATOM 4177 CE1 HIS A 380 -7.008 -23.795 23.097 1.00 0.21 C \nATOM 4178 NE2 HIS A 380 -7.544 -24.908 22.629 1.00 -0.57 N \nATOM 4179 HA HIS A 380 -11.197 -22.478 22.431 1.00 0.09 H \nATOM 4180 HB2 HIS A 380 -10.106 -22.906 20.244 1.00 0.04 H \nATOM 4181 HB3 HIS A 380 -8.999 -21.527 20.555 1.00 0.04 H \nATOM 4182 HD2 HIS A 380 -9.225 -25.287 21.259 1.00 0.11 H \nATOM 4183 HE1 HIS A 380 -6.166 -23.733 23.784 1.00 0.14 H \nATOM 4184 HD1 HIS A 380 -7.469 -21.778 22.781 1.00 0.36 H \nATOM 4185 H HIS A 380 -11.455 -20.815 20.135 1.00 0.27 H \nATOM 4186 N PRO A 381 -9.898 -21.297 24.203 1.00 -0.25 N \nATOM 4187 CA PRO A 381 -9.397 -20.563 25.374 1.00 -0.03 C \nATOM 4188 C PRO A 381 -8.037 -19.902 25.159 1.00 0.59 C \nATOM 4189 O PRO A 381 -7.813 -18.809 25.664 1.00 -0.57 O \nATOM 4190 CB PRO A 381 -9.306 -21.650 26.456 1.00 -0.01 C \nATOM 4191 CG PRO A 381 -10.340 -22.647 26.062 1.00 0.02 C \nATOM 4192 CD PRO A 381 -10.342 -22.659 24.551 1.00 0.02 C \nATOM 4193 HA PRO A 381 -10.119 -19.786 25.666 1.00 0.06 H \nATOM 4194 HD3 PRO A 381 -11.351 -22.857 24.159 1.00 0.04 H \nATOM 4195 HD2 PRO A 381 -9.643 -23.413 24.162 1.00 0.04 H \nATOM 4196 HG3 PRO A 381 -11.327 -22.348 26.444 1.00 0.02 H \nATOM 4197 HG2 PRO A 381 -10.082 -23.642 26.453 1.00 0.02 H \nATOM 4198 HB2 PRO A 381 -8.306 -22.108 26.465 1.00 0.03 H \nATOM 4199 HB3 PRO A 381 -9.527 -21.231 27.449 1.00 0.03 H \nATOM 4200 N TRP A 382 -7.134 -20.545 24.432 1.00 -0.42 N \nATOM 4201 CA TRP A 382 -5.834 -19.927 24.192 1.00 -0.03 C \nATOM 4202 C TRP A 382 -5.966 -18.739 23.234 1.00 0.60 C \nATOM 4203 O TRP A 382 -5.233 -17.753 23.355 1.00 -0.57 O \nATOM 4204 CB TRP A 382 -4.844 -20.952 23.660 1.00 -0.01 C \nATOM 4205 CG TRP A 382 -3.463 -20.422 23.369 1.00 -0.14 C \nATOM 4206 CD1 TRP A 382 -2.443 -20.251 24.262 1.00 -0.16 C \nATOM 4207 CD2 TRP A 382 -2.940 -20.031 22.087 1.00 0.12 C \nATOM 4208 NE1 TRP A 382 -1.321 -19.771 23.618 1.00 -0.34 N \nATOM 4209 CE2 TRP A 382 -1.602 -19.630 22.283 1.00 0.14 C \nATOM 4210 CE3 TRP A 382 -3.479 -19.983 20.793 1.00 -0.24 C \nATOM 4211 CZ2 TRP A 382 -0.792 -19.182 21.236 1.00 -0.26 C \nATOM 4212 CZ3 TRP A 382 -2.667 -19.536 19.748 1.00 -0.20 C \nATOM 4213 CH2 TRP A 382 -1.341 -19.145 19.978 1.00 -0.11 C \nATOM 4214 HA TRP A 382 -5.452 -19.550 25.152 1.00 0.11 H \nATOM 4215 HB2 TRP A 382 -4.750 -21.754 24.407 1.00 0.03 H \nATOM 4216 HB3 TRP A 382 -5.253 -21.367 22.727 1.00 0.03 H \nATOM 4217 HE1 TRP A 382 -0.420 -19.554 24.067 1.00 0.34 H \nATOM 4218 HD1 TRP A 382 -2.506 -20.463 25.328 1.00 0.21 H \nATOM 4219 HZ2 TRP A 382 0.233 -18.875 21.411 1.00 0.16 H \nATOM 4220 HH2 TRP A 382 -0.736 -18.806 19.145 1.00 0.14 H \nATOM 4221 HZ3 TRP A 382 -3.069 -19.491 18.742 1.00 0.14 H \nATOM 4222 HE3 TRP A 382 -4.503 -20.286 20.608 1.00 0.17 H \nATOM 4223 H TRP A 382 -7.342 -21.446 24.051 1.00 0.27 H \nATOM 4224 N ILE A 383 -6.907 -18.835 22.296 1.00 -0.42 N \nATOM 4225 CA ILE A 383 -7.157 -17.761 21.335 1.00 -0.06 C \nATOM 4226 C ILE A 383 -7.818 -16.575 22.042 1.00 0.60 C \nATOM 4227 O ILE A 383 -7.361 -15.436 21.952 1.00 -0.57 O \nATOM 4228 CB ILE A 383 -8.060 -18.243 20.159 1.00 0.13 C \nATOM 4229 CG1 ILE A 383 -7.298 -19.200 19.241 1.00 -0.04 C \nATOM 4230 CG2 ILE A 383 -8.600 -17.066 19.373 1.00 -0.32 C \nATOM 4231 CD1 ILE A 383 -6.135 -18.566 18.512 1.00 -0.07 C \nATOM 4232 HA ILE A 383 -6.192 -17.433 20.921 1.00 0.09 H \nATOM 4233 HB ILE A 383 -8.914 -18.788 20.587 1.00 0.02 H \nATOM 4234 HG12 ILE A 383 -6.912 -20.029 19.852 1.00 0.02 H \nATOM 4235 HG13 ILE A 383 -8.001 -19.593 18.492 1.00 0.02 H \nATOM 4236 HD11 ILE A 383 -5.417 -18.168 19.244 1.00 0.02 H \nATOM 4237 HD12 ILE A 383 -5.639 -19.322 17.885 1.00 0.02 H \nATOM 4238 HD13 ILE A 383 -6.503 -17.747 17.876 1.00 0.02 H \nATOM 4239 HG21 ILE A 383 -7.762 -16.480 18.968 1.00 0.09 H \nATOM 4240 HG22 ILE A 383 -9.224 -17.433 18.545 1.00 0.09 H \nATOM 4241 HG23 ILE A 383 -9.206 -16.430 20.035 1.00 0.09 H \nATOM 4242 H ILE A 383 -7.460 -19.667 22.247 1.00 0.27 H \nATOM 4243 N THR A 384 -8.904 -16.861 22.745 1.00 -0.42 N \nATOM 4244 CA THR A 384 -9.599 -15.860 23.540 1.00 -0.04 C \nATOM 4245 C THR A 384 -8.669 -15.096 24.486 1.00 0.60 C \nATOM 4246 O THR A 384 -8.778 -13.879 24.622 1.00 -0.57 O \nATOM 4247 CB THR A 384 -10.719 -16.519 24.352 1.00 0.37 C \nATOM 4248 OG1 THR A 384 -11.852 -16.718 23.497 1.00 -0.68 O \nATOM 4249 CG2 THR A 384 -11.121 -15.646 25.522 1.00 -0.24 C \nATOM 4250 HA THR A 384 -10.050 -15.134 22.848 1.00 0.10 H \nATOM 4251 HB THR A 384 -10.369 -17.491 24.731 1.00 0.00 H \nATOM 4252 HG1 THR A 384 -12.553 -17.127 23.991 1.00 0.41 H \nATOM 4253 HG23 THR A 384 -10.623 -16.005 26.435 1.00 0.06 H \nATOM 4254 HG21 THR A 384 -10.820 -14.607 25.324 1.00 0.06 H \nATOM 4255 HG22 THR A 384 -12.212 -15.693 25.656 1.00 0.06 H \nATOM 4256 H THR A 384 -9.258 -17.796 22.729 1.00 0.27 H \nATOM 4257 N ALA A 385 -7.747 -15.803 25.133 1.00 -0.42 N \nATOM 4258 CA ALA A 385 -6.910 -15.171 26.147 1.00 0.03 C \nATOM 4259 C ALA A 385 -5.786 -14.336 25.546 1.00 0.60 C \nATOM 4260 O ALA A 385 -5.372 -13.341 26.134 1.00 -0.57 O \nATOM 4261 CB ALA A 385 -6.343 -16.213 27.116 1.00 -0.18 C \nATOM 4262 HA ALA A 385 -7.553 -14.490 26.724 1.00 0.08 H \nATOM 4263 HB1 ALA A 385 -5.717 -15.711 27.869 1.00 0.06 H \nATOM 4264 HB2 ALA A 385 -7.171 -16.736 27.617 1.00 0.06 H \nATOM 4265 HB3 ALA A 385 -5.734 -16.940 26.558 1.00 0.06 H \nATOM 4266 H ALA A 385 -7.627 -16.773 24.923 1.00 0.27 H \nATOM 4267 N ASN A 386 -5.297 -14.736 24.376 1.00 -0.42 N \nATOM 4268 CA ASN A 386 -4.131 -14.086 23.806 1.00 0.01 C \nATOM 4269 C ASN A 386 -4.403 -13.111 22.665 1.00 0.60 C \nATOM 4270 O ASN A 386 -3.565 -12.281 22.358 1.00 -0.57 O \nATOM 4271 CB ASN A 386 -3.110 -15.132 23.369 1.00 -0.20 C \nATOM 4272 CG ASN A 386 -2.408 -15.772 24.540 1.00 0.71 C \nATOM 4273 OD1 ASN A 386 -1.637 -15.111 25.248 1.00 -0.59 O \nATOM 4274 ND2 ASN A 386 -2.673 -17.064 24.763 1.00 -0.92 N \nATOM 4275 HA ASN A 386 -3.677 -13.497 24.616 1.00 0.10 H \nATOM 4276 HB2 ASN A 386 -3.629 -15.915 22.797 1.00 0.08 H \nATOM 4277 HB3 ASN A 386 -2.359 -14.647 22.729 1.00 0.08 H \nATOM 4278 HD22 ASN A 386 -2.235 -17.540 25.526 1.00 0.42 H \nATOM 4279 HD21 ASN A 386 -3.309 -17.554 24.167 1.00 0.42 H \nATOM 4280 H ASN A 386 -5.735 -15.489 23.886 1.00 0.27 H \nATOM 4281 N SER A 387 -5.566 -13.205 22.034 1.00 -0.42 N \nATOM 4282 CA SER A 387 -5.825 -12.407 20.840 1.00 -0.02 C \nATOM 4283 C SER A 387 -6.187 -10.958 21.156 1.00 0.60 C \nATOM 4284 O SER A 387 -6.878 -10.685 22.133 1.00 -0.57 O \nATOM 4285 CB SER A 387 -6.924 -13.051 19.992 1.00 0.21 C \nATOM 4286 OG SER A 387 -7.318 -12.196 18.930 1.00 -0.65 O \nATOM 4287 HA SER A 387 -4.900 -12.395 20.245 1.00 0.08 H \nATOM 4288 HB2 SER A 387 -6.547 -13.995 19.572 1.00 0.04 H \nATOM 4289 HB3 SER A 387 -7.796 -13.256 20.630 1.00 0.04 H \nATOM 4290 HG SER A 387 -7.999 -12.618 18.420 1.00 0.43 H \nATOM 4291 H SER A 387 -6.270 -13.826 22.379 1.00 0.27 H \nATOM 4292 N SER A 388 -5.720 -10.041 20.309 1.00 -0.42 N \nATOM 4293 CA SER A 388 -6.022 -8.613 20.435 1.00 -0.02 C \nATOM 4294 C SER A 388 -7.433 -8.264 19.970 1.00 0.60 C \nATOM 4295 O SER A 388 -7.951 -7.203 20.305 1.00 -0.57 O \nATOM 4296 CB SER A 388 -5.022 -7.783 19.630 1.00 0.21 C \nATOM 4297 OG SER A 388 -3.721 -7.866 20.179 1.00 -0.65 O \nATOM 4298 HA SER A 388 -5.932 -8.341 21.497 1.00 0.08 H \nATOM 4299 HB2 SER A 388 -4.998 -8.156 18.595 1.00 0.04 H \nATOM 4300 HB3 SER A 388 -5.345 -6.732 19.633 1.00 0.04 H \nATOM 4301 HG SER A 388 -3.124 -7.342 19.659 1.00 0.43 H \nATOM 4302 H SER A 388 -5.137 -10.341 19.554 1.00 0.27 H \nATOM 4303 N LYS A 389 -8.052 -9.153 19.199 1.00 -0.35 N \nATOM 4304 CA LYS A 389 -9.367 -8.873 18.624 1.00 -0.24 C \nATOM 4305 C LYS A 389 -10.400 -9.984 18.857 1.00 0.73 C \nATOM 4306 O LYS A 389 -10.090 -11.176 18.780 1.00 -0.59 O \nATOM 4307 CB LYS A 389 -9.231 -8.559 17.129 1.00 -0.01 C \nATOM 4308 CG LYS A 389 -8.164 -9.384 16.419 1.00 0.02 C \nATOM 4309 CD LYS A 389 -7.946 -8.929 14.973 1.00 -0.05 C \nATOM 4310 CE LYS A 389 -7.163 -7.620 14.899 1.00 -0.01 C \nATOM 4311 NZ LYS A 389 -6.818 -7.277 13.484 1.00 -0.39 N \nATOM 4312 HA LYS A 389 -9.751 -7.970 19.121 1.00 0.14 H \nATOM 4313 HB2 LYS A 389 -10.199 -8.754 16.645 1.00 0.04 H \nATOM 4314 HB3 LYS A 389 -8.975 -7.495 17.021 1.00 0.04 H \nATOM 4315 HG2 LYS A 389 -7.216 -9.285 16.968 1.00 0.01 H \nATOM 4316 HG3 LYS A 389 -8.476 -10.439 16.415 1.00 0.01 H \nATOM 4317 HD2 LYS A 389 -7.387 -9.709 14.435 1.00 0.06 H \nATOM 4318 HD3 LYS A 389 -8.926 -8.785 14.494 1.00 0.06 H \nATOM 4319 HE2 LYS A 389 -7.774 -6.811 15.326 1.00 0.11 H \nATOM 4320 HE3 LYS A 389 -6.235 -7.723 15.480 1.00 0.11 H \nATOM 4321 HZ1 LYS A 389 -7.664 -7.186 12.944 1.00 0.34 H \nATOM 4322 HZ2 LYS A 389 -6.311 -6.406 13.463 1.00 0.34 H \nATOM 4323 HZ3 LYS A 389 -6.246 -8.008 13.091 1.00 0.34 H \nATOM 4324 H LYS A 389 -7.610 -10.030 19.009 1.00 0.27 H \nTER 4325 LYS A 389 \nCONECT 2690 2668 2691 \nCONECT 2691 2690 2692 2694 \nCONECT 2692 2691 2693 2701 \nCONECT 2693 2692 \nCONECT 2694 2691 2695 2700 \nCONECT 2695 2694 2696 \nCONECT 2696 2695 2697 2698 2699 \nCONECT 2697 2696 \nCONECT 2698 2696 \nCONECT 2699 2696 \nCONECT 2700 2694 \nCONECT 2701 2692 2702 \nCONECT 2702 2701 2703 2705 \nCONECT 2703 2702 2704 2712 \nCONECT 2704 2703 \nCONECT 2705 2702 2706 2711 \nCONECT 2706 2705 2707 \nCONECT 2707 2706 2708 2709 2710 \nCONECT 2708 2707 \nCONECT 2709 2707 \nCONECT 2710 2707 \nCONECT 2711 2705 \nMASTER 0 0 0 0 0 0 0 0 4323 2 22 21 \nEND \n" }, { "path": "data/2wtv_protein.ply", "content": "ply\nformat ascii 1.0\ncomment Generated by PyMesh\nelement vertex 819\nproperty float x\nproperty float y\nproperty float z\nproperty float charge\nproperty float hbond\nproperty float hphob\nproperty float nx\nproperty float ny\nproperty float nz\nproperty float si\nelement face 1472\nproperty list uchar int vertex_indices\nend_header\n3.94 -3.865 9.821 0.516554 0 -4.5 0.871817 -0.459114 0.170732 -0.999935\n4.732 -8.456 -16.435 1.34897 0 4.2 0.459942 0.431686 -0.775951 0.999949\n12.55 -9.353 -13.81 0.622409 0 -3.9 0.33821 0.48337 -0.807445 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0.945748 -0.0828731 -0.257803\n-1.3175 -22.4592 -8.6655 0.308092 0 -0.9 -0.148864 -0.781505 0.605879 -0.999847\n-3.11013 -20.7044 -7.36763 0.431369 0 -0.9 -0.334365 -0.279786 0.899955 -0.489187\n-6.424 -18.8258 -7.56575 -0.417626 0 -3.5 0.0466298 -0.0209616 0.998692 0.999882\n6.40312 3.47438 -3.93456 0.565909 0 2.59523 -0.0713913 0.939967 -0.333715 0.211254\n10.1079 -8.91763 -0.0134375 0.523037 -0.756642 -3.55601 -0.0656187 0.246314 -0.966966 0.130059\n5.86237 -5.2185 2.25912 0.43127 0 -0.4 0.546119 0.676339 -0.494287 -0.699081\n1.95812 -20.0597 -12.3632 0.529536 0 -0.9 0.354055 -0.78409 -0.509753 0.9999\n5.84075 1.96238 -0.301125 0.755472 0.0105365 -4.5 -0.510213 0.465242 0.723348 -0.235727\n7.17588 -7.44637 -14.8231 1.25341 0 -3.5 0.178474 0.00380483 -0.983937 0.999789\n9.94475 -12.787 -12.6951 0.165232 -0.188349 -1.74933 0.296807 -0.229139 -0.927039 -0.0510367\n7.23375 -13.3624 -15.1575 1.54755 0 -1.13399 0.912601 0.16119 -0.375737 0.585846\n6.1905 -16.8151 -0.9335 0.147386 0 -2.62415 -0.412462 0.36129 -0.836268 -0.0401156\n-5.6635 -15.547 -5.4735 0.0876156 0.21459 2.8 -0.549777 -0.830201 -0.0922572 0.484256\n-3.3625 -17.1594 -1.912 0.360852 0 -3.5 -0.317781 -0.652785 -0.687668 0.797598\n1.97075 -19.453 -0.36 -0.480659 -0.261342 -3.57882 0.647801 -0.105666 -0.754446 0.999839\n7.46475 -20.5212 -2.91337 0.247457 0 1.8 -0.948216 -0.313887 -0.0485892 -0.277466\n-7.915 -15.371 -5.424 -0.91255 -0.73317 -3.5 0.191024 -0.945697 -0.262997 0.999858\n-3.10919 -18.2109 -6.88425 0.50767 0 2.8 -0.487941 -0.600383 0.633604 0.999829\n13.2577 -11.8961 2.18144 0.800243 0.201164 -2.79766 0.979294 0.19064 -0.0681182 -0.0461926\n9.05581 -8.42513 4.23313 0.420887 0 -3.9 -0.0553847 0.909681 0.411599 0.336472\n8.812 2.03863 -0.33025 0.0389845 0 -4.5 0.725827 0.213608 0.653871 -0.767689\n5.25481 -12.7587 -5.50287 0.462961 0 4.2 0.0644573 0.917426 0.392651 -0.476585\n10.2188 -4.53394 -7.09956 0.379166 -0.00369811 -1.6 0.898949 -0.337007 0.279851 0.597218\n11.2345 -0.89725 -6.87262 0.419013 0 -1.77446 0.90732 -0.197832 0.370989 0.393123\n5.95219 -8.6155 7.41869 0.039916 0 2.94515 0.597613 0.794253 -0.109635 0.999847\n8.27856 -15.1883 -6.37569 0.715394 -0.379961 -3.2 0.687767 0.696622 0.204191 0.756768\n4.91988 -2.66875 -0.93625 0.107005 -0.15173 -1.3 0.467856 -0.594316 0.65414 0.0666113\n3.6345 -7.20656 1.2165 0.380515 0 1.19954 0.291497 0.229647 -0.928597 0.61737\n7.51531 -14.4863 -5.19056 0.319012 0 4.2 0.658939 0.384015 0.646786 -0.130114\n8.421 -11.3574 -12.7406 0.291941 0 -0.942432 0.638831 -0.0571073 -0.767224 0.999856\n1.86688 -21.1221 -1.04825 -0.214133 -0.360068 -3.64397 0.411125 0.216553 -0.885484 0.202671\n12.5624 -11.2519 0.592438 1.02041 0 -2.04433 0.551756 -0.00601732 -0.833984 0.0889682\n6.08563 -5.47225 6.788 -1.31664 -0.443669 -4.5 0.815643 0.0364621 0.577405 -0.749023\n3.51794 1.64625 -0.977125 0.52878 0 3.48356 0.250616 0.750193 0.611884 0.745817\n7.606 -8.86662 -6.18075 0.592379 0 -0.4 -0.633089 -0.550657 0.544036 -0.671277\n-0.279375 -5.30569 -4.15831 0.409714 0 1.8 0.375895 -0.84039 0.390444 0.443565\n10.933 -9.20712 -13.8748 0.438975 0 -3.9 0.176856 -0.179698 -0.967693 -0.100556\n1.07244 -12.6392 -0.430562 0.229917 0 2.19102 0.766307 -0.100317 -0.634594 0.914034\n13.4895 -12.9917 3.84875 0.45648 0.0482663 -2.38985 0.732483 0.676128 0.0794944 0.99993\n7.61806 -4.75256 -3.53625 0.494388 -0.555956 3.8 0.468779 -0.265158 0.842578 0.236602\n-7.64675 -5.75419 1.75569 -1.45225 -0.612402 -3.5 -0.949225 0.191191 0.249837 0.417689\n4.96569 -14.5168 0.077375 -0.872215 -0.854286 -3.5 0.423759 0.574249 -0.700476 0.0732515\n-8.21094 -5.22106 -0.0394375 -1.1236 0 -3.5 -0.719056 0.488664 0.494132 0.298891\n4.47062 -9.20463 -7.2525 0.795573 0 4.2 0.40531 -0.421017 0.811461 -0.280092\n-1.2115 -0.249563 0.638125 0.323884 0 -1.54155 -0.698095 0.708289 0.104835 0.299659\n2.38744 -21.5384 -7.69306 0.482636 0 -0.9 0.393272 -0.811178 0.432813 -0.586728\n9.02262 -5.44912 -9.77375 1.06348 0 -1.25277 0.903916 -0.407755 -0.129118 0.999868\n8.707 -7.09419 -3.65975 -1.59078 -0.0916237 3.8 0.114201 -0.533764 0.837887 -0.750196\n5.00087 -1.54737 5.28687 -0.132593 -0.0298139 -4.38818 0.802872 0.557197 0.211963 -0.194811\n11.4034 -13.9317 -0.741938 0.477105 0 -1.6 0.16014 0.534713 -0.829721 0.102715\n3.07344 -4.19556 -2.53775 0.508927 0 3.8 -0.100114 -0.881752 0.460967 0.250289\n0.54025 -14.5389 -1.86194 0.0598369 0 1.8 0.816346 0.146276 -0.558732 0.195498\n-1.46225 -9.46544 -5.45125 0.464593 0 3.8 0.875902 -0.399191 0.271003 -0.199314\n8.52909 -10.9097 -7.81381 0.624645 -0.0246856 -3.9 -0.242601 -0.336796 0.909787 0.211623\n2.90394 -9.17025 -0.474187 0.345018 0 3.8 0.617156 0.36559 -0.696752 0.217566\n5.30638 -12.8039 -6.84425 0.846178 0 4.2 0.271389 0.931324 0.242866 0.592032\n13.0172 -8.63094 -11.1785 0.648375 0 -3.9 0.523325 0.840662 0.139348 -0.40362\n5.55525 -10.2382 -9.02213 1.29593 0 4.2 0.218211 -0.240221 0.945874 0.999849\n9.29525 -2.83744 -4.65225 0.346148 -0.0405907 3.54668 0.680808 -0.262238 0.68391 0.539028\n10.004 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0.999837\n-0.647656 -8.37212 -6.63109 0.626572 0 3.8 0.549867 -0.236065 0.801198 0.213435\n5.63975 -9.17494 0.177312 0.00446901 0 -3.5 -0.295151 0.518933 -0.802243 0.0725058\n-0.900063 -9.89013 -7.03156 0.716689 0 2.86491 0.48668 -0.489749 0.723387 0.270963\n1.25969 -7.86184 -6.89553 0.691247 0 4.2 -0.249641 -0.494124 0.832779 0.366854\n-0.5805 0.9765 -0.1575 0.619853 0 -1.3 -0.50248 0.572562 0.647832 0.0619402\n10.7975 -7.16875 -7.4375 0.579102 0 -0.4 0.877045 0.44677 -0.176606 -0.459054\n1.55 2.408 -0.57525 0.474761 0 1.2182 0.185231 0.530433 0.827242 0.134117\n5.21609 -7.19647 7.55447 -0.00618072 0 3.8 0.887056 0.309916 0.342176 0.33887\n-3.27513 -16.3479 -3.06113 -0.213141 0 -3.5 -0.250961 -0.952153 -0.174423 0.99987\n5.62 -1.6215 -0.0235 -0.408538 -0.471847 -1.3 0.533408 -0.660181 0.528808 -0.493143\n10.6736 -11.3795 -12.8605 1.07442 0 -3.9 -0.481192 -0.207961 -0.851591 0.744303\n0.673312 -4.44675 -3.1765 0.634107 0 -1.3 0.362701 -0.931879 -0.00708734 0.445113\n0.0318438 1.06606 4.19394 0.666837 0 -1.6 -0.0670448 0.959833 0.272444 0.0697309\n7.20575 -19.5191 -6.33325 0.530663 -0.508158 3.09571 -0.505771 -0.775919 0.377022 0.198293\n4.80387 4.002 -3.66563 0.537228 0 3.8 0.137066 0.988503 0.0638362 -0.635995\n1.11925 -11.7968 -7.88206 2.8691 0.0759632 -3.9 -0.208331 -0.0562602 0.976439 0.322174\n5.84119 3.404 -1.95512 0.58112 0 1.87945 -0.397668 0.814805 0.421845 -0.0682257\n5.80697 -9.28219 -16.5162 1.10734 0 -0.4 0.274741 0.605285 -0.747093 0.999933\n2.1865 3.836 -1.827 0.497021 0 4.5 0.666522 0.691378 0.278827 -0.142423\n8.41125 -9.794 -6.37775 0.66045 0 -0.4 -0.345744 -0.711106 0.612201 -0.393177\n11.0117 -16.3282 -7.69069 0.761835 0 -3.2 0.784203 0.617023 0.0656366 -0.517775\n3.5255 -12.6285 0.376 0.26401 0 3.8 0.20643 -0.184049 -0.960996 0.549474\n10.1113 1.59052 -2.32191 0.780607 0 -4.5 0.788587 0.217895 0.575024 0.189103\n-1.69952 -0.772303 1.70924 0.293153 0 -1.5788 -0.833793 0.539638 -0.11653 0.5\n13.2262 -14.1342 0.39675 0.863477 0.272794 -1.22055 0.771404 0.0941323 -0.629345 -0.999943\n-1.82113 -22.9967 -0.873125 0.0517817 0 -3.5 0.220779 -0.932142 -0.286998 -0.999934\n7.313 -9.012 6.53 -0.738578 -0 -3.5 0.399842 0.890128 0.218629 0.53013\n3.50075 -18.864 -5.4055 -0.751262 -0.277777 -0.4 0.471408 -0.392489 0.789764 -0.651026\n9.8 -7.596 9.33325 -0.738177 -0.159035 -3.5 0.0563992 0.301738 -0.951721 -0.99988\n3 761 466 596\n3 761 759 466\n3 596 347 761\n3 759 761 135\n3 466 759 373\n3 347 127 761\n3 133 135 761\n3 145 759 135\n3 759 412 373\n3 347 101 127\n3 127 133 761\n3 655 135 133\n3 759 145 591\n3 655 145 135\n3 219 412 759\n3 133 127 101\n3 615 655 133\n3 591 145 168\n3 219 759 591\n3 655 27 145\n3 61 133 101\n3 615 192 655\n3 133 61 615\n3 27 168 145\n3 655 192 27\n3 192 615 457\n3 61 495 615\n3 168 27 204\n3 518 27 192\n3 615 67 457\n3 192 457 518\n3 615 495 67\n3 204 27 111\n3 111 27 518\n3 457 67 213\n3 518 457 664\n3 67 495 213\n3 274 204 111\n3 301 111 518\n3 555 457 213\n3 457 555 664\n3 664 301 518\n3 495 321 213\n3 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431 544 210\n3 789 589 374\n3 789 818 561\n3 37 580 694\n3 389 37 694\n3 707 453 451\n3 389 694 707\n3 811 42 414\n3 811 414 453\n3 668 299 587\n3 811 299 42\n3 209 705 668\n3 227 538 705\n3 461 601 214\n3 605 374 461\n3 639 704 500\n3 750 704 243\n3 688 236 750\n3 236 688 395\n3 88 556 395\n3 88 411 622\n3 186 622 513\n3 362 186 478\n3 500 538 227\n3 478 496 362\n3 461 214 496\n3 558 397 753\n3 558 661 653\n3 762 248 653\n3 438 455 248\n3 455 438 151\n3 507 151 793\n3 809 97 642\n3 97 809 753\n3 795 634 144\n3 642 144 89\n3 331 793 790\n3 671 331 790\n3 327 671 790\n3 625 648 327\n3 580 625 710\n3 431 184 174\n3 210 765 429\n3 429 234 795\n3 544 431 174\n3 210 544 765\n3 789 374 605\n3 818 190 561\n3 580 710 694\n3 756 453 707\n3 694 293 707\n3 756 811 453\n3 587 299 760\n3 587 209 668\n3 299 811 47\n3 714 705 209\n3 406 227 705\n3 605 461 660\n3 704 639 243\n3 639 500 227\n3 243 474 750\n3 688 750 464\n3 395 688 309\n3 309 88 395\n3 88 309 411\n3 622 411 513\n3 186 513 470\n3 186 470 478\n3 478 452 496\n3 660 461 496\n3 558 753 698\n3 698 661 558\n3 661 762 653\n3 248 762 438\n3 151 438 793\n3 468 809 642\n3 698 753 809\n3 234 634 795\n3 144 634 89\n3 89 468 642\n3 790 793 285\n3 771 327 790\n3 625 327 703\n3 703 710 625\n3 765 234 429\n3 544 174 370\n3 544 427 765\n3 818 171 190\n3 293 694 710\n3 178 756 707\n3 320 707 293\n3 491 811 756\n3 47 760 299\n3 760 626 587\n3 587 714 209\n3 491 47 811\n3 406 705 714\n3 406 639 227\n3 243 639 474\n3 474 665 750\n3 464 750 737\n3 688 464 576\n3 576 309 688\n3 576 411 309\n3 411 576 513\n3 470 513 576\n3 142 478 470\n3 452 478 142\n3 452 266 496\n3 266 660 496\n3 698 674 661\n3 762 661 776\n3 762 696 438\n3 285 793 438\n3 809 468 772\n3 809 674 698\n3 234 616 634\n3 123 89 634\n3 468 89 527\n3 790 285 226\n3 771 703 327\n3 792 771 790\n3 703 279 710\n3 765 616 234\n3 544 370 427\n3 765 427 784\n3 171 818 549\n3 710 656 293\n3 71 756 178\n3 320 178 707\n3 656 320 293\n3 491 756 492\n3 47 251 760\n3 626 760 448\n3 626 714 587\n3 47 491 251\n3 714 83 406\n3 639 406 338\n3 338 474 639\n3 665 474 278\n3 750 665 737\n3 737 416 464\n3 470 576 464\n3 470 416 142\n3 142 475 452\n3 475 266 452\n3 776 661 674\n3 762 776 237\n3 676 696 762\n3 696 285 438\n3 772 468 521\n3 674 809 772\n3 295 634 616\n3 89 123 527\n3 634 295 123\n3 527 521 468\n3 226 285 164\n3 792 790 226\n3 771 481 703\n3 277 771 792\n3 703 481 279\n3 279 656 710\n3 765 786 616\n3 370 260 427\n3 427 260 784\n3 765 784 786\n3 492 756 71\n3 770 71 178\n3 178 320 220\n3 426 320 656\n3 491 492 54\n3 251 35 760\n3 448 760 35\n3 730 626 448\n3 714 626 76\n3 54 251 491\n3 83 714 340\n3 406 83 338\n3 474 338 768\n3 474 768 278\n3 278 814 665\n3 665 637 737\n3 416 737 134\n3 470 464 416\n3 475 142 416\n3 776 674 680\n3 237 776 511\n3 676 762 237\n3 696 676 805\n3 164 285 696\n3 521 654 772\n3 772 435 674\n3 295 616 786\n3 123 659 527\n3 295 386 123\n3 527 360 521\n3 805 226 164\n3 792 226 700\n3 277 481 771\n3 277 792 307\n3 481 656 279\n3 260 370 155\n3 260 597 784\n3 786 784 635\n3 770 492 71\n3 220 770 178\n3 426 220 320\n3 644 426 656\n3 497 54 492\n3 251 484 35\n3 448 35 484\n3 76 626 730\n3 730 448 627\n3 340 714 76\n3 54 484 251\n3 689 83 340\n3 338 83 211\n3 211 768 338\n3 768 608 278\n3 814 637 665\n3 737 637 757\n3 134 737 757\n3 134 475 416\n3 674 435 680\n3 511 776 680\n3 237 511 334\n3 334 676 237\n3 805 676 594\n3 805 164 696\n3 654 521 501\n3 772 654 435\n3 386 295 786\n3 659 123 23\n3 659 107 527\n3 123 386 23\n3 360 527 107\n3 521 360 501\n3 226 805 700\n3 700 307 792\n3 481 277 289\n3 277 307 289\n3 481 644 656\n3 155 370 12\n3 597 260 155\n3 597 550 784\n3 784 254 635\n3 386 786 635\n3 770 497 492\n3 371 770 220\n3 426 371 220\n3 652 426 644\n3 497 484 54\n3 448 484 509\n3 633 76 730\n3 627 448 509\n3 627 407 730\n3 340 76 633\n3 211 83 689\n3 689 340 633\n3 768 211 608\n3 506 278 608\n3 637 28 757\n3 134 757 475\n3 680 435 774\n3 774 511 680\n3 334 511 774\n3 334 774 676\n3 228 594 676\n3 805 594 221\n3 654 501 598\n3 435 654 598\n3 23 775 659\n3 659 571 107\n3 23 386 775\n3 107 493 360\n3 586 501 360\n3 700 805 339\n3 348 307 700\n3 644 481 289\n3 699 289 307\n3 254 784 550\n3 254 669 635\n3 775 386 635\n3 207 497 770\n3 22 770 371\n3 371 426 652\n3 644 109 652\n3 484 497 400\n3 400 509 484\n3 300 633 730\n3 355 627 509\n3 627 238 407\n3 730 407 241\n3 711 211 689\n3 689 633 329\n3 608 211 711\n3 278 506 29\n3 506 608 424\n3 435 325 774\n3 676 774 228\n3 228 333 594\n3 594 631 221\n3 339 805 221\n3 501 179 598\n3 325 435 598\n3 242 659 775\n3 659 242 571\n3 107 571 493\n3 360 493 345\n3 501 586 670\n3 360 345 586\n3 339 121 700\n3 348 699 307\n3 348 700 121\n3 644 289 699\n3 550 401 254\n3 401 669 254\n3 669 775 635\n3 207 64 497\n3 770 22 207\n3 515 22 371\n3 175 371 652\n3 109 644 699\n3 109 84 652\n3 400 497 271\n3 509 400 355\n3 329 633 300\n3 241 300 730\n3 326 627 355\n3 32 238 627\n3 238 785 407\n3 407 785 241\n3 329 711 689\n3 424 608 711\n3 119 29 506\n3 424 70 506\n3 325 740 774\n3 228 774 740\n3 740 333 228\n3 594 333 631\n3 631 584 221\n3 221 336 339\n3 670 179 501\n3 471 598 179\n3 598 172 325\n3 75 242 775\n3 242 404 571\n3 571 358 493\n3 343 345 493\n3 586 709 670\n3 586 345 462\n3 339 336 121\n3 699 348 121\n3 755 669 401\n3 136 775 669\n3 515 64 207\n3 497 64 271\n3 22 515 207\n3 8 515 371\n3 8 371 175\n3 454 175 652\n3 109 699 121\n3 121 84 109\n3 652 84 454\n3 271 565 400\n3 565 355 400\n3 329 300 649\n3 504 300 241\n3 32 627 326\n3 326 355 565\n3 238 32 583\n3 785 238 280\n3 241 785 504\n3 711 329 33\n3 70 424 711\n3 119 506 102\n3 70 287 506\n3 325 541 740\n3 434 333 740\n3 45 631 333\n3 599 584 631\n3 584 336 221\n3 670 49 179\n3 288 598 471\n3 473 471 179\n3 172 598 747\n3 172 541 325\n3 404 242 75\n3 20 75 775\n3 358 571 404\n3 343 493 358\n3 343 212 345\n3 709 586 312\n3 709 49 670\n3 345 212 462\n3 579 586 462\n3 336 84 121\n3 755 2 669\n3 469 755 401\n3 775 136 20\n3 136 669 498\n3 515 106 64\n3 271 64 106\n3 663 515 8\n3 663 8 175\n3 663 175 454\n3 454 84 53\n3 733 565 271\n3 649 300 504\n3 649 98 329\n3 650 32 326\n3 733 326 565\n3 32 650 583\n3 238 583 280\n3 280 564 785\n3 785 734 504\n3 329 98 33\n3 711 33 630\n3 711 630 70\n3 102 506 287\n3 282 287 70\n3 434 740 541\n3 434 45 333\n3 45 599 631\n3 663 584 599\n3 53 336 584\n3 49 473 179\n3 598 288 744\n3 471 473 288\n3 747 598 744\n3 747 541 172\n3 187 358 404\n3 187 343 358\n3 212 343 433\n3 586 579 312\n3 574 709 312\n3 49 709 574\n3 462 212 557\n3 462 259 579\n3 84 336 53\n3 2 755 40\n3 498 669 2\n3 755 469 268\n3 136 498 20\n3 643 106 515\n3 271 106 191\n3 128 515 663\n3 454 53 663\n3 271 11 733\n3 577 649 504\n3 649 603 98\n3 733 650 326\n3 583 650 141\n3 583 516 280\n3 413 564 280\n3 785 564 780\n3 785 780 734\n3 734 577 504\n3 81 33 98\n3 33 341 630\n3 282 70 630\n3 115 434 541\n3 523 45 434\n3 599 45 523\n3 53 584 663\n3 663 599 315\n3 392 473 49\n3 744 288 196\n3 473 196 288\n3 81 747 744\n3 747 115 541\n3 343 187 15\n3 15 433 343\n3 433 557 212\n3 728 312 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603 629 115\n3 728 335 314\n3 314 335 351\n3 18 574 351\n3 222 574 679\n3 695 392 222\n3 41 517 259\n3 728 800 394\n3 259 517 800\n3 163 270 800\n3 800 517 163\n3 57 727 297\n3 559 215 270\n3 297 350 559\n3 30 666 191\n3 641 30 643\n3 315 273 643\n3 666 19 437\n3 749 437 535\n3 410 368 9\n3 319 272 410\n3 629 272 319\n3 86 318 749\n3 318 116 352\n3 116 485 352\n3 143 167 716\n3 716 803 368\n3 810 444 255\n3 482 255 444\n3 629 390 85\n3 390 273 315\n3 392 695 678\n3 153 810 678\n3 361 335 728\n3 335 593 351\n3 574 18 679\n3 351 679 18\n3 679 505 222\n3 222 505 695\n3 270 394 800\n3 748 728 394\n3 528 727 57\n3 223 297 727\n3 559 581 215\n3 215 394 270\n3 297 223 350\n3 350 581 559\n3 681 666 30\n3 641 681 30\n3 643 817 641\n3 273 817 643\n3 666 381 19\n3 19 381 437\n3 621 535 437\n3 535 86 749\n3 368 803 9\n3 9 463 410\n3 463 319 410\n3 629 319 390\n3 318 86 116\n3 167 156 716\n3 716 156 803\n3 810 510 444\n3 482 444 510\n3 273 390 319\n3 695 203 678\n3 153 510 810\n3 203 153 678\n3 335 361 198\n3 728 748 361\n3 198 593 335\n3 351 593 552\n3 552 679 351\n3 505 679 447\n3 695 505 74\n3 394 215 748\n3 683 727 528\n3 418 223 727\n3 581 748 215\n3 223 165 350\n3 581 350 588\n3 681 308 666\n3 641 779 681\n3 641 817 166\n3 817 273 693\n3 666 308 381\n3 381 621 437\n3 535 621 367\n3 535 363 86\n3 803 463 9\n3 463 693 319\n3 116 86 129\n3 108 803 156\n3 482 510 246\n3 693 273 319\n3 695 74 203\n3 198 361 729\n3 748 609 361\n3 593 198 91\n3 382 679 552\n3 382 447 679\n3 683 418 727\n3 418 165 223\n3 581 609 748\n3 350 165 588\n3 581 588 609\n3 308 681 353\n3 779 641 306\n3 681 779 787\n3 817 693 166\n3 166 306 641\n3 344 381 308\n3 381 667 621\n3 692 367 621\n3 367 356 535\n3 356 363 535\n3 363 129 86\n3 803 422 463\n3 446 693 463\n3 108 459 803\n3 246 3 482\n3 609 729 361\n3 729 91 198\n3 409 418 683\n3 165 418 807\n3 588 165 25\n3 609 588 729\n3 353 681 787\n3 308 353 147\n3 779 306 764\n3 779 645 787\n3 446 166 693\n3 306 166 764\n3 232 381 344\n3 732 344 308\n3 667 381 232\n3 621 667 692\n3 692 815 367\n3 702 356 367\n3 422 803 459\n3 422 303 463\n3 463 303 446\n3 77 91 729\n3 418 409 1\n3 807 418 1\n3 202 588 25\n3 729 588 202\n3 787 267 353\n3 353 377 147\n3 147 732 308\n3 764 313 779\n3 645 779 265\n3 488 787 645\n3 443 166 446\n3 764 166 443\n3 72 232 344\n3 732 72 344\n3 232 322 667\n3 322 692 667\n3 815 702 367\n3 388 422 459\n3 230 303 422\n3 230 446 303\n3 202 77 729\n3 488 267 787\n3 267 377 353\n3 147 377 567\n3 732 147 798\n3 619 313 764\n3 779 313 537\n3 779 537 265\n3 719 645 265\n3 720 488 645\n3 443 446 600\n3 118 764 443\n3 232 72 200\n3 379 72 732\n3 322 232 200\n3 13 692 322\n3 560 422 388\n3 422 600 230\n3 446 230 600\n3 488 736 267\n3 267 567 377\n3 208 147 567\n3 208 798 147\n3 346 732 798\n3 619 120 313\n3 118 619 764\n3 120 537 313\n3 719 265 537\n3 719 173 645\n3 720 5 488\n3 173 720 645\n3 600 118 443\n3 72 379 200\n3 647 379 732\n3 200 261 322\n3 261 13 322\n3 600 422 560\n3 5 736 488\n3 567 267 736\n3 66 208 567\n3 479 798 208\n3 647 732 346\n3 346 798 788\n3 132 120 619\n3 619 118 713\n3 537 120 408\n3 719 537 408\n3 720 366 5\n3 442 720 173\n3 600 713 118\n3 200 379 349\n3 647 494 379\n3 261 200 349\n3 600 560 225\n3 366 736 5\n3 240 567 736\n3 208 66 479\n3 567 240 66\n3 788 798 479\n3 647 346 788\n3 120 132 408\n3 51 132 619\n3 713 415 619\n3 366 720 662\n3 662 720 442\n3 713 600 225\n3 349 379 494\n3 494 647 441\n3 349 24 261\n3 590 736 366\n3 736 590 240\n3 675 479 66\n3 675 66 240\n3 479 731 788\n3 441 647 788\n3 103 408 132\n3 415 51 619\n3 713 477 415\n3 662 590 366\n3 494 113 349\n3 113 494 441\n3 24 349 113\n3 682 240 590\n3 675 731 479\n3 240 682 675\n3 731 193 788\n3 788 332 441\n3 51 415 43\n3 138 415 477\n3 590 662 721\n3 721 682 590\n3 675 124 731\n3 682 124 675\n3 735 193 731\n3 332 788 193\n3 43 415 725\n3 415 138 725\n3 477 195 138\n3 721 662 512\n3 721 673 682\n3 731 124 294\n3 294 124 682\n3 298 193 735\n3 80 735 731\n3 298 332 193\n3 294 682 673\n3 294 80 731\n3 100 735 80\n3 194 294 673\n3 194 80 294\n3 100 80 194\n" }, { "path": "data/2yge_ligand.mol2", "content": "#\tName:\t\t\t2yge_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:48:53 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:48:53 2018\n\n@MOLECULE\n2yge_ligand\n 80 81 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 C1 26.0300 -34.1660 -5.2680 C.2 1 GMY -0.1238 \n 2 C2 26.0820 -33.8880 -3.7670 C.2 1 GMY 0.5412 \n 3 C3 25.5010 -32.5830 -3.2040 C.2 1 GMY 0.1234 \n 4 C4 24.8850 -31.6070 -4.1030 C.2 1 GMY -0.1356 \n 5 C5 24.8440 -31.8760 -5.6120 C.2 1 GMY 0.5412 \n 6 C6 25.4150 -33.1840 -6.1650 C.2 1 GMY 0.0911 \n 7 C7 26.0620 -35.6430 -5.6960 C.3 1 GMY 0.1382 \n 8 C8 24.5910 -36.0570 -5.5350 C.3 1 GMY 0.0000 \n 9 C9 23.9870 -36.2980 -6.9260 C.3 1 GMY 0.0000 \n 10 C10 22.7220 -37.1610 -6.8220 C.3 1 GMY 0.2800 \n 11 C11 21.6530 -36.6490 -7.8100 C.3 1 GMY 0.2800 \n 12 C12 21.3060 -35.1790 -7.4850 C.3 1 GMY 0.1382 \n 13 C13 20.4200 -35.1370 -6.2350 C.2 1 GMY -0.2882 \n 14 C14 20.4830 -34.0080 -5.3080 C.2 1 GMY -0.2764 \n 15 C15 19.5580 -34.0120 -4.0960 C.3 1 GMY 0.4182 \n 16 C16 20.4190 -34.1040 -2.8280 C.3 1 GMY 0.4182 \n 17 C17 21.0130 -35.5220 -2.7370 C.2 1 GMY -0.2882 \n 18 C18 22.3230 -35.6760 -2.0870 C.2 1 GMY -0.1500 \n 19 C19 23.2300 -34.4470 -1.9430 C.2 1 GMY -0.1500 \n 20 C20 24.5100 -34.6060 -1.2390 C.2 1 GMY -0.1238 \n 21 C21 25.2120 -33.3270 -0.7890 C.2 1 GMY 0.6156 \n 22 N22 25.5520 -32.3130 -1.7690 N.am 1 GMY -0.5390 \n 23 O23 26.5800 -34.7080 -3.0430 O.2 1 GMY -0.5700 \n 24 O24 24.3510 -31.0890 -6.3640 O.2 1 GMY -0.5700 \n 25 O25 25.3620 -33.4160 -7.5710 O.3 1 GMY -0.3567 \n 26 C26 26.2530 -32.4960 -8.2170 C.3 1 GMY 0.2800 \n 27 C27 24.4860 -37.2570 -4.5780 C.3 1 GMY 0.0000 \n 28 O28 23.0780 -38.5110 -7.1330 O.3 1 GMY -0.5600 \n 29 C29 24.0930 -38.5440 -8.1490 C.3 1 GMY 0.2800 \n 30 O30 22.1550 -36.7280 -9.1450 O.3 1 GMY -0.6800 \n 31 C31 20.4700 -34.5870 -8.6320 C.3 1 GMY 0.0000 \n 32 C32 21.4400 -32.8250 -5.5390 C.3 1 GMY 0.1382 \n 33 O33 18.9090 -32.7520 -4.0990 O.3 1 GMY -0.4300 \n 34 C34 17.6350 -32.7490 -4.7530 C.2 1 GMY 0.7800 \n 35 O35 17.2740 -33.6370 -5.4820 O.2 1 GMY -0.5700 \n 36 N36 16.7830 -31.5840 -4.5260 N.am 1 GMY -0.8000 \n 37 O37 19.6120 -33.8410 -1.6760 O.3 1 GMY -0.5600 \n 38 C38 18.3790 -34.5610 -1.7420 C.3 1 GMY 0.2800 \n 39 C39 24.7810 -35.8790 -0.4210 C.3 1 GMY 0.1382 \n 40 O40 25.4780 -33.1720 0.3660 O.2 1 GMY -0.5700 \n 41 H1 24.4560 -30.6904 -3.7009 H 1 GMY 0.1500 \n 42 H2 26.7173 -36.2347 -5.0399 H 1 GMY 0.0000 \n 43 H3 26.3947 -35.7493 -6.7391 H 1 GMY 0.0000 \n 44 H4 24.0423 -35.2218 -5.0753 H 1 GMY 0.0000 \n 45 H5 24.7259 -36.8138 -7.5568 H 1 GMY 0.0000 \n 46 H6 23.7284 -35.3304 -7.3807 H 1 GMY 0.0000 \n 47 H7 22.3229 -37.1111 -5.7982 H 1 GMY 0.0000 \n 48 H8 20.7479 -37.2678 -7.7213 H 1 GMY 0.0000 \n 49 H9 22.2260 -34.5958 -7.3318 H 1 GMY 0.0000 \n 50 H10 19.7344 -35.9590 -6.0346 H 1 GMY 0.1500 \n 51 H11 18.8347 -34.8394 -4.1434 H 1 GMY 0.0000 \n 52 H12 21.2328 -33.3658 -2.8798 H 1 GMY 0.0000 \n 53 H13 20.4806 -36.3820 -3.1406 H 1 GMY 0.1500 \n 54 H14 22.6443 -36.6472 -1.7137 H 1 GMY 0.1500 \n 55 H15 22.9330 -33.4823 -2.3517 H 1 GMY 0.1500 \n 56 H16 25.8286 -31.4051 -1.4541 H 1 GMY 0.3700 \n 57 H17 26.2251 -32.6607 -9.3042 H 1 GMY 0.0000 \n 58 H18 27.2767 -32.6566 -7.8480 H 1 GMY 0.0000 \n 59 H19 25.9404 -31.4651 -7.9943 H 1 GMY 0.0000 \n 60 H20 24.9414 -36.9960 -3.6113 H 1 GMY 0.0000 \n 61 H21 25.0144 -38.1190 -5.0114 H 1 GMY 0.0000 \n 62 H22 23.4272 -37.5140 -4.4270 H 1 GMY 0.0000 \n 63 H23 24.3528 -39.5890 -8.3739 H 1 GMY 0.0000 \n 64 H24 24.9873 -38.0127 -7.7913 H 1 GMY 0.0000 \n 65 H25 23.7162 -38.0557 -9.0598 H 1 GMY 0.0000 \n 66 H26 22.3696 -37.6308 -9.3485 H 1 GMY 0.4000 \n 67 H27 20.2219 -33.5402 -8.4024 H 1 GMY 0.0000 \n 68 H28 19.5424 -35.1669 -8.7469 H 1 GMY 0.0000 \n 69 H29 21.0477 -34.6303 -9.5671 H 1 GMY 0.0000 \n 70 H30 22.0229 -32.9985 -6.4556 H 1 GMY 0.0000 \n 71 H31 22.1232 -32.7333 -4.6818 H 1 GMY 0.0000 \n 72 H32 20.8579 -31.8977 -5.6448 H 1 GMY 0.0000 \n 73 H33 15.8831 -31.5308 -4.9588 H 1 GMY 0.3700 \n 74 H34 17.0998 -30.8399 -3.9379 H 1 GMY 0.3700 \n 75 H35 17.7783 -34.3421 -0.8469 H 1 GMY 0.0000 \n 76 H36 18.5866 -35.6402 -1.7893 H 1 GMY 0.0000 \n 77 H37 17.8232 -34.2547 -2.6405 H 1 GMY 0.0000 \n 78 H38 24.2163 -36.7189 -0.8519 H 1 GMY 0.0000 \n 79 H39 24.4642 -35.7201 0.6203 H 1 GMY 0.0000 \n 80 H40 25.8564 -36.1090 -0.4461 H 1 GMY 0.0000 \n@BOND\n 1 1 2 1 \n 2 1 6 2 \n 3 1 7 1 \n 4 2 3 1 \n 5 2 23 2 \n 6 3 4 2 \n 7 3 22 1 \n 8 4 5 1 \n 9 5 6 1 \n 10 5 24 2 \n 11 6 25 1 \n 12 7 8 1 \n 13 8 9 1 \n 14 8 27 1 \n 15 9 10 1 \n 16 10 11 1 \n 17 10 28 1 \n 18 11 12 1 \n 19 11 30 1 \n 20 12 13 1 \n 21 12 31 1 \n 22 13 14 2 \n 23 14 15 1 \n 24 14 32 1 \n 25 15 16 1 \n 26 15 33 1 \n 27 16 17 1 \n 28 16 37 1 \n 29 17 18 2 \n 30 18 19 1 \n 31 19 20 2 \n 32 20 21 1 \n 33 20 39 1 \n 34 21 22 am \n 35 21 40 2 \n 36 25 26 1 \n 37 28 29 1 \n 38 33 34 1 \n 39 34 35 2 \n 40 34 36 am \n 41 37 38 1 \n 42 4 41 1 \n 43 7 42 1 \n 44 7 43 1 \n 45 8 44 1 \n 46 9 45 1 \n 47 9 46 1 \n 48 10 47 1 \n 49 11 48 1 \n 50 12 49 1 \n 51 13 50 1 \n 52 15 51 1 \n 53 16 52 1 \n 54 17 53 1 \n 55 18 54 1 \n 56 19 55 1 \n 57 22 56 1 \n 58 26 57 1 \n 59 26 58 1 \n 60 26 59 1 \n 61 27 60 1 \n 62 27 61 1 \n 63 27 62 1 \n 64 29 63 1 \n 65 29 64 1 \n 66 29 65 1 \n 67 30 66 1 \n 68 31 67 1 \n 69 31 68 1 \n 70 31 69 1 \n 71 32 70 1 \n 72 32 71 1 \n 73 32 72 1 \n 74 36 73 1 \n 75 36 74 1 \n 76 38 75 1 \n 77 38 76 1 \n 78 38 77 1 \n 79 39 78 1 \n 80 39 79 1 \n 81 39 80 1 \n@SUBSTRUCTURE\n 1 GMY 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 7 CR 8 CR 9 CR 10 CR 11 CR 12 CR 15 CR 16 CR 26 CR 27 CR 29 CR \\\n31 CR 32 CR 38 CR 39 CR 34 COO 21 C=ON 2 C=OR 5 C=OR \\\n1 C=C 3 C=C 4 C=C 6 C=C 13 C=C 14 C=C 17 C=C 18 C=C \\\n19 C=C 20 C=C 41 HC 42 HC 43 HC 44 HC 45 HC 46 HC 47 HC \\\n48 HC 49 HC 50 HC 51 HC 52 HC 53 HC 54 HC 55 HC 57 HC \\\n58 HC 59 HC 60 HC 61 HC 62 HC 63 HC 64 HC 65 HC 67 HC \\\n68 HC 69 HC 70 HC 71 HC 72 HC 75 HC 76 HC 77 HC 78 HC \\\n79 HC 80 HC 56 HNCC 73 HNCO 74 HNCO 66 HOR 40 O=CN 35 O=CN \\\n23 O=CR 24 O=CR 33 OC=O 25 OC=C 28 OR 30 OR 37 OR 22 NC=O \\\n36 NC=O\n" }, { "path": "data/2yge_protein.pdb", "content": "HEADER 2YGE_PROTEIN \nCOMPND 2YGE_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 12-MAR-16 \nSEQRES 1 A 214 MET ALA SER GLU THR PHE GLU PHE GLN ALA GLU ILE THR \nSEQRES 2 A 214 GLN LEU MET SER LEU ILE ILE ASN THR VAL TYR SER ASN \nSEQRES 3 A 214 LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN ALA SER \nSEQRES 4 A 214 ASP ALA LEU ASP ARG ILE ARG TYR LYS SER LEU SER ASP \nSEQRES 5 A 214 PRO LYS GLN LEU GLU THR GLU PRO ASP LEU PHE ILE ARG \nSEQRES 6 A 214 ILE THR PRO LYS PRO GLU GLN LYS VAL LEU GLU ILE ARG \nSEQRES 7 A 214 ASP SER GLY ILE GLY MET THR LYS ALA GLU LEU ILE ASN \nSEQRES 8 A 214 ASN LEU GLY THR ILE ALA ASN SER GLY THR LYS ALA PHE \nSEQRES 9 A 214 MET GLU ALA LEU SER ALA GLY ALA ASP VAL SER MET ILE \nSEQRES 10 A 214 GLY GLN PHE GLY VAL GLY PHE TYR SER LEU PHE LEU VAL \nSEQRES 11 A 214 ALA ASP ARG VAL GLN VAL ILE SER LYS SER ASN ASP ASP \nSEQRES 12 A 214 GLU GLN TYR ILE TRP GLU SER ASN ALA GLY GLY SER PHE \nSEQRES 13 A 214 THR VAL THR LEU ASP GLU VAL ASN GLU ARG ILE GLY ARG \nSEQRES 14 A 214 GLY THR ILE LEU ARG LEU PHE LEU LYS ASP ASP GLN LEU \nSEQRES 15 A 214 GLU TYR LEU GLU GLU LYS ARG ILE LYS GLU VAL ILE LYS \nSEQRES 16 A 214 ARG HIS SER GLU PHE VAL ALA TYR PRO ILE GLN LEU VAL \nSEQRES 17 A 214 VAL THR LYS GLU VAL GLU \nATOM 1 N MET A 1 4.996 -49.332 2.698 1.00 -0.42 N \nATOM 2 CA MET A 1 4.964 -50.672 3.275 1.00 -0.02 C \nATOM 3 C MET A 1 5.756 -50.736 4.591 1.00 0.60 C \nATOM 4 O MET A 1 5.426 -50.046 5.559 1.00 -0.57 O \nATOM 5 CB MET A 1 5.481 -51.700 2.262 1.00 0.03 C \nATOM 6 HA MET A 1 3.916 -50.918 3.503 1.00 0.09 H \nATOM 7 HB2 MET A 1 5.471 -52.701 2.718 1.00 0.02 H \nATOM 8 HB3 MET A 1 4.834 -51.696 1.372 1.00 0.02 H \nATOM 9 H MET A 1 5.539 -48.613 3.132 1.00 0.27 H \nATOM 10 HNCA MET A 1 4.464 -49.128 1.852 1.00 0.00 H \nATOM 11 N ALA A 2 6.796 -51.567 4.625 1.00 -0.42 N \nATOM 12 CA ALA A 2 7.664 -51.663 5.799 1.00 0.03 C \nATOM 13 C ALA A 2 8.999 -50.954 5.559 1.00 0.60 C \nATOM 14 O ALA A 2 9.492 -50.916 4.433 1.00 -0.57 O \nATOM 15 CB ALA A 2 7.895 -53.112 6.161 1.00 -0.18 C \nATOM 16 HA ALA A 2 7.159 -51.170 6.643 1.00 0.08 H \nATOM 17 HB1 ALA A 2 8.548 -53.170 7.044 1.00 0.06 H \nATOM 18 HB2 ALA A 2 6.931 -53.592 6.386 1.00 0.06 H \nATOM 19 HB3 ALA A 2 8.374 -53.629 5.316 1.00 0.06 H \nATOM 20 H ALA A 2 6.989 -52.140 3.828 1.00 0.27 H \nATOM 21 N SER A 3 9.579 -50.394 6.620 1.00 -0.42 N \nATOM 22 CA SER A 3 10.840 -49.677 6.514 1.00 -0.02 C \nATOM 23 C SER A 3 12.039 -50.613 6.429 1.00 0.60 C \nATOM 24 O SER A 3 12.055 -51.672 7.047 1.00 -0.57 O \nATOM 25 CB SER A 3 11.019 -48.745 7.715 1.00 0.21 C \nATOM 26 OG SER A 3 10.008 -47.757 7.764 1.00 -0.65 O \nATOM 27 HA SER A 3 10.811 -49.070 5.597 1.00 0.08 H \nATOM 28 HB2 SER A 3 10.980 -49.341 8.638 1.00 0.04 H \nATOM 29 HB3 SER A 3 11.998 -48.250 7.639 1.00 0.04 H \nATOM 30 HG SER A 3 10.148 -47.197 8.519 1.00 0.43 H \nATOM 31 H SER A 3 9.135 -50.469 7.513 1.00 0.27 H \nATOM 32 N GLU A 4 13.043 -50.221 5.657 1.00 -0.52 N \nATOM 33 CA GLU A 4 14.346 -50.872 5.728 1.00 0.04 C \nATOM 34 C GLU A 4 15.301 -49.935 6.450 1.00 0.54 C \nATOM 35 O GLU A 4 15.249 -48.719 6.250 1.00 -0.58 O \nATOM 36 CB GLU A 4 14.879 -51.197 4.334 1.00 0.06 C \nATOM 37 CG GLU A 4 14.162 -52.343 3.652 1.00 0.01 C \nATOM 38 CD GLU A 4 14.735 -52.646 2.287 1.00 0.81 C \nATOM 39 OE1 GLU A 4 15.954 -52.900 2.195 1.00 -0.82 O \nATOM 40 OE2 GLU A 4 13.965 -52.620 1.306 1.00 -0.82 O \nATOM 41 HA GLU A 4 14.252 -51.808 6.298 1.00 0.11 H \nATOM 42 HB2 GLU A 4 14.774 -50.300 3.706 1.00 -0.02 H \nATOM 43 HB3 GLU A 4 15.944 -51.459 4.423 1.00 -0.02 H \nATOM 44 HG2 GLU A 4 14.252 -53.241 4.281 1.00 -0.04 H \nATOM 45 HG3 GLU A 4 13.100 -52.079 3.539 1.00 -0.04 H \nATOM 46 H GLU A 4 12.905 -49.467 5.015 1.00 0.29 H \nATOM 47 N THR A 5 16.166 -50.489 7.292 1.00 -0.42 N \nATOM 48 CA THR A 5 17.057 -49.657 8.096 1.00 -0.04 C \nATOM 49 C THR A 5 18.519 -49.791 7.675 1.00 0.60 C \nATOM 50 O THR A 5 19.006 -50.896 7.438 1.00 -0.57 O \nATOM 51 CB THR A 5 16.890 -49.945 9.601 1.00 0.37 C \nATOM 52 OG1 THR A 5 15.537 -49.660 9.989 1.00 -0.68 O \nATOM 53 CG2 THR A 5 17.840 -49.083 10.423 1.00 -0.24 C \nATOM 54 HA THR A 5 16.764 -48.610 7.926 1.00 0.10 H \nATOM 55 HB THR A 5 17.110 -51.006 9.792 1.00 0.00 H \nATOM 56 HG1 THR A 5 15.430 -49.836 10.916 1.00 0.41 H \nATOM 57 HG23 THR A 5 18.731 -49.671 10.690 1.00 0.06 H \nATOM 58 HG21 THR A 5 18.143 -48.206 9.833 1.00 0.06 H \nATOM 59 HG22 THR A 5 17.332 -48.750 11.340 1.00 0.06 H \nATOM 60 H THR A 5 16.207 -51.485 7.376 1.00 0.27 H \nATOM 61 N PHE A 6 19.204 -48.653 7.572 1.00 -0.42 N \nATOM 62 CA PHE A 6 20.586 -48.600 7.085 1.00 -0.00 C \nATOM 63 C PHE A 6 21.479 -47.812 8.036 1.00 0.60 C \nATOM 64 O PHE A 6 21.050 -46.821 8.626 1.00 -0.57 O \nATOM 65 CB PHE A 6 20.652 -47.966 5.685 1.00 -0.03 C \nATOM 66 CG PHE A 6 19.855 -48.701 4.646 1.00 0.01 C \nATOM 67 CD1 PHE A 6 18.498 -48.449 4.491 1.00 -0.13 C \nATOM 68 CD2 PHE A 6 20.453 -49.656 3.840 1.00 -0.13 C \nATOM 69 CE1 PHE A 6 17.753 -49.122 3.543 1.00 -0.17 C \nATOM 70 CE2 PHE A 6 19.712 -50.344 2.895 1.00 -0.17 C \nATOM 71 CZ PHE A 6 18.358 -50.079 2.748 1.00 -0.11 C \nATOM 72 HA PHE A 6 20.967 -49.630 7.022 1.00 0.10 H \nATOM 73 HB2 PHE A 6 20.268 -46.937 5.752 1.00 0.03 H \nATOM 74 HB3 PHE A 6 21.704 -47.945 5.364 1.00 0.03 H \nATOM 75 HD2 PHE A 6 21.511 -49.866 3.950 1.00 0.13 H \nATOM 76 HE2 PHE A 6 20.189 -51.090 2.270 1.00 0.14 H \nATOM 77 HZ PHE A 6 17.775 -50.621 2.012 1.00 0.13 H \nATOM 78 HE1 PHE A 6 16.699 -48.901 3.422 1.00 0.14 H \nATOM 79 HD1 PHE A 6 18.016 -47.713 5.124 1.00 0.13 H \nATOM 80 H PHE A 6 18.757 -47.799 7.838 1.00 0.27 H \nATOM 81 N GLU A 7 22.730 -48.242 8.167 1.00 -0.52 N \nATOM 82 CA GLU A 7 23.685 -47.564 9.035 1.00 0.04 C \nATOM 83 C GLU A 7 24.468 -46.514 8.252 1.00 0.54 C \nATOM 84 O GLU A 7 24.842 -46.737 7.099 1.00 -0.58 O \nATOM 85 CB GLU A 7 24.642 -48.579 9.668 1.00 0.06 C \nATOM 86 CG GLU A 7 23.979 -49.545 10.644 1.00 0.01 C \nATOM 87 CD GLU A 7 23.673 -48.909 11.991 1.00 0.81 C \nATOM 88 OE1 GLU A 7 24.289 -47.870 12.317 1.00 -0.82 O \nATOM 89 OE2 GLU A 7 22.818 -49.452 12.725 1.00 -0.82 O \nATOM 90 HA GLU A 7 23.129 -47.058 9.838 1.00 0.11 H \nATOM 91 HB2 GLU A 7 25.103 -49.167 8.861 1.00 -0.02 H \nATOM 92 HB3 GLU A 7 25.423 -48.025 10.209 1.00 -0.02 H \nATOM 93 HG2 GLU A 7 23.037 -49.900 10.201 1.00 -0.04 H \nATOM 94 HG3 GLU A 7 24.653 -50.399 10.804 1.00 -0.04 H \nATOM 95 H GLU A 7 23.023 -49.051 7.657 1.00 0.29 H \nATOM 96 N PHE A 8 24.702 -45.363 8.872 1.00 -0.42 N \nATOM 97 CA PHE A 8 25.485 -44.315 8.240 1.00 -0.00 C \nATOM 98 C PHE A 8 26.962 -44.683 8.261 1.00 0.60 C \nATOM 99 O PHE A 8 27.460 -45.218 9.252 1.00 -0.57 O \nATOM 100 CB PHE A 8 25.298 -42.982 8.975 1.00 -0.03 C \nATOM 101 CG PHE A 8 24.111 -42.173 8.505 1.00 0.01 C \nATOM 102 CD1 PHE A 8 24.113 -41.578 7.254 1.00 -0.13 C \nATOM 103 CD2 PHE A 8 23.018 -41.968 9.335 1.00 -0.13 C \nATOM 104 CE1 PHE A 8 23.036 -40.826 6.824 1.00 -0.17 C \nATOM 105 CE2 PHE A 8 21.931 -41.202 8.907 1.00 -0.17 C \nATOM 106 CZ PHE A 8 21.944 -40.636 7.657 1.00 -0.11 C \nATOM 107 HA PHE A 8 25.154 -44.202 7.197 1.00 0.10 H \nATOM 108 HB2 PHE A 8 25.167 -43.195 10.046 1.00 0.03 H \nATOM 109 HB3 PHE A 8 26.206 -42.378 8.829 1.00 0.03 H \nATOM 110 HD2 PHE A 8 23.008 -42.407 10.326 1.00 0.13 H \nATOM 111 HE2 PHE A 8 21.079 -41.055 9.561 1.00 0.14 H \nATOM 112 HZ PHE A 8 21.102 -40.041 7.321 1.00 0.13 H \nATOM 113 HE1 PHE A 8 23.045 -40.384 5.834 1.00 0.14 H \nATOM 114 HD1 PHE A 8 24.971 -41.704 6.603 1.00 0.13 H \nATOM 115 H PHE A 8 24.333 -45.215 9.790 1.00 0.27 H \nATOM 116 N GLN A 9 27.653 -44.390 7.164 1.00 -0.42 N \nATOM 117 CA GLN A 9 29.109 -44.414 7.130 1.00 -0.00 C \nATOM 118 C GLN A 9 29.665 -43.551 8.268 1.00 0.60 C \nATOM 119 O GLN A 9 29.181 -42.447 8.523 1.00 -0.57 O \nATOM 120 CB GLN A 9 29.602 -43.883 5.785 1.00 -0.00 C \nATOM 121 CG GLN A 9 31.102 -43.662 5.710 1.00 -0.06 C \nATOM 122 CD GLN A 9 31.856 -44.956 5.550 1.00 0.70 C \nATOM 123 OE1 GLN A 9 31.419 -45.850 4.827 1.00 -0.61 O \nATOM 124 NE2 GLN A 9 32.993 -45.070 6.227 1.00 -0.94 N \nATOM 125 HA GLN A 9 29.457 -45.449 7.259 1.00 0.09 H \nATOM 126 HB2 GLN A 9 29.321 -44.607 5.006 1.00 0.02 H \nATOM 127 HB3 GLN A 9 29.103 -42.922 5.590 1.00 0.02 H \nATOM 128 HG2 GLN A 9 31.323 -43.014 4.849 1.00 0.04 H \nATOM 129 HG3 GLN A 9 31.435 -43.169 6.635 1.00 0.04 H \nATOM 130 HE22 GLN A 9 33.534 -45.908 6.158 1.00 0.43 H \nATOM 131 HE21 GLN A 9 33.308 -44.318 6.806 1.00 0.43 H \nATOM 132 H GLN A 9 27.155 -44.144 6.332 1.00 0.27 H \nATOM 133 N ALA A 10 30.682 -44.059 8.956 1.00 -0.42 N \nATOM 134 CA ALA A 10 31.224 -43.393 10.142 1.00 0.03 C \nATOM 135 C ALA A 10 31.480 -41.880 9.972 1.00 0.60 C \nATOM 136 O ALA A 10 31.224 -41.101 10.891 1.00 -0.57 O \nATOM 137 CB ALA A 10 32.495 -44.107 10.613 1.00 -0.18 C \nATOM 138 HA ALA A 10 30.471 -43.498 10.937 1.00 0.08 H \nATOM 139 HB1 ALA A 10 32.893 -43.598 11.504 1.00 0.06 H \nATOM 140 HB2 ALA A 10 32.258 -45.152 10.863 1.00 0.06 H \nATOM 141 HB3 ALA A 10 33.247 -44.084 9.811 1.00 0.06 H \nATOM 142 H ALA A 10 31.089 -44.921 8.655 1.00 0.27 H \nATOM 143 N GLU A 11 32.002 -41.476 8.814 1.00 -0.52 N \nATOM 144 CA GLU A 11 32.315 -40.069 8.551 1.00 0.04 C \nATOM 145 C GLU A 11 31.053 -39.198 8.504 1.00 0.54 C \nATOM 146 O GLU A 11 31.011 -38.089 9.050 1.00 -0.58 O \nATOM 147 CB GLU A 11 33.080 -39.932 7.234 1.00 0.06 C \nATOM 148 CG GLU A 11 34.384 -40.731 7.163 1.00 0.01 C \nATOM 149 CD GLU A 11 35.398 -40.303 8.210 1.00 0.81 C \nATOM 150 OE1 GLU A 11 35.013 -39.618 9.181 1.00 -0.82 O \nATOM 151 OE2 GLU A 11 36.589 -40.649 8.059 1.00 -0.82 O \nATOM 152 HA GLU A 11 32.955 -39.703 9.367 1.00 0.11 H \nATOM 153 HB2 GLU A 11 32.424 -40.274 6.420 1.00 -0.02 H \nATOM 154 HB3 GLU A 11 33.322 -38.869 7.088 1.00 -0.02 H \nATOM 155 HG2 GLU A 11 34.152 -41.796 7.314 1.00 -0.04 H \nATOM 156 HG3 GLU A 11 34.828 -40.590 6.166 1.00 -0.04 H \nATOM 157 H GLU A 11 32.186 -42.154 8.103 1.00 0.29 H \nATOM 158 N ILE A 12 30.027 -39.699 7.834 1.00 -0.42 N \nATOM 159 CA ILE A 12 28.775 -38.959 7.729 1.00 -0.06 C \nATOM 160 C ILE A 12 28.133 -38.738 9.096 1.00 0.60 C \nATOM 161 O ILE A 12 27.615 -37.663 9.389 1.00 -0.57 O \nATOM 162 CB ILE A 12 27.810 -39.653 6.785 1.00 0.13 C \nATOM 163 CG1 ILE A 12 28.410 -39.669 5.379 1.00 -0.04 C \nATOM 164 CG2 ILE A 12 26.478 -38.939 6.788 1.00 -0.32 C \nATOM 165 CD1 ILE A 12 27.507 -40.292 4.346 1.00 -0.07 C \nATOM 166 HA ILE A 12 29.007 -37.971 7.306 1.00 0.09 H \nATOM 167 HB ILE A 12 27.658 -40.689 7.122 1.00 0.02 H \nATOM 168 HG12 ILE A 12 28.619 -38.632 5.078 1.00 0.02 H \nATOM 169 HG13 ILE A 12 29.350 -40.239 5.408 1.00 0.02 H \nATOM 170 HD11 ILE A 12 26.560 -39.734 4.302 1.00 0.02 H \nATOM 171 HD12 ILE A 12 27.998 -40.259 3.362 1.00 0.02 H \nATOM 172 HD13 ILE A 12 27.304 -41.338 4.620 1.00 0.02 H \nATOM 173 HG21 ILE A 12 26.620 -37.896 6.470 1.00 0.09 H \nATOM 174 HG22 ILE A 12 25.790 -39.443 6.094 1.00 0.09 H \nATOM 175 HG23 ILE A 12 26.054 -38.958 7.803 1.00 0.09 H \nATOM 176 H ILE A 12 30.111 -40.594 7.396 1.00 0.27 H \nATOM 177 N THR A 13 28.191 -39.757 9.938 1.00 -0.42 N \nATOM 178 CA THR A 13 27.673 -39.658 11.293 1.00 -0.04 C \nATOM 179 C THR A 13 28.413 -38.577 12.066 1.00 0.60 C \nATOM 180 O THR A 13 27.801 -37.823 12.812 1.00 -0.57 O \nATOM 181 CB THR A 13 27.803 -41.009 12.024 1.00 0.37 C \nATOM 182 OG1 THR A 13 27.082 -42.002 11.291 1.00 -0.68 O \nATOM 183 CG2 THR A 13 27.251 -40.927 13.447 1.00 -0.24 C \nATOM 184 HA THR A 13 26.608 -39.387 11.241 1.00 0.10 H \nATOM 185 HB THR A 13 28.866 -41.290 12.070 1.00 0.00 H \nATOM 186 HG1 THR A 13 27.156 -42.839 11.734 1.00 0.41 H \nATOM 187 HG23 THR A 13 28.081 -40.780 14.154 1.00 0.06 H \nATOM 188 HG21 THR A 13 26.552 -40.081 13.521 1.00 0.06 H \nATOM 189 HG22 THR A 13 26.723 -41.861 13.690 1.00 0.06 H \nATOM 190 H THR A 13 28.601 -40.617 9.635 1.00 0.27 H \nATOM 191 N GLN A 14 29.735 -38.518 11.887 1.00 -0.42 N \nATOM 192 CA GLN A 14 30.558 -37.520 12.558 1.00 -0.00 C \nATOM 193 C GLN A 14 30.146 -36.135 12.083 1.00 0.60 C \nATOM 194 O GLN A 14 29.943 -35.229 12.893 1.00 -0.57 O \nATOM 195 CB GLN A 14 32.057 -37.739 12.274 1.00 -0.00 C \nATOM 196 CG GLN A 14 32.563 -39.151 12.532 1.00 -0.06 C \nATOM 197 CD GLN A 14 34.045 -39.334 12.172 1.00 0.70 C \nATOM 198 OE1 GLN A 14 34.788 -38.363 12.011 1.00 -0.61 O \nATOM 199 NE2 GLN A 14 34.472 -40.591 12.046 1.00 -0.94 N \nATOM 200 HA GLN A 14 30.391 -37.594 13.643 1.00 0.09 H \nATOM 201 HB2 GLN A 14 32.242 -37.498 11.217 1.00 0.02 H \nATOM 202 HB3 GLN A 14 32.629 -37.050 12.913 1.00 0.02 H \nATOM 203 HG2 GLN A 14 32.431 -39.381 13.600 1.00 0.04 H \nATOM 204 HG3 GLN A 14 31.967 -39.852 11.929 1.00 0.04 H \nATOM 205 HE22 GLN A 14 35.427 -40.774 11.813 1.00 0.43 H \nATOM 206 HE21 GLN A 14 33.837 -41.351 12.185 1.00 0.43 H \nATOM 207 H GLN A 14 30.172 -39.177 11.275 1.00 0.27 H \nATOM 208 N LEU A 15 30.027 -35.987 10.765 1.00 -0.42 N \nATOM 209 CA LEU A 15 29.624 -34.720 10.153 1.00 -0.05 C \nATOM 210 C LEU A 15 28.305 -34.228 10.728 1.00 0.60 C \nATOM 211 O LEU A 15 28.188 -33.074 11.131 1.00 -0.57 O \nATOM 212 CB LEU A 15 29.507 -34.873 8.631 1.00 -0.11 C \nATOM 213 CG LEU A 15 29.028 -33.659 7.829 1.00 0.35 C \nATOM 214 CD1 LEU A 15 29.925 -32.475 8.087 1.00 -0.41 C \nATOM 215 CD2 LEU A 15 28.985 -33.982 6.338 1.00 -0.41 C \nATOM 216 HA LEU A 15 30.399 -33.970 10.370 1.00 0.09 H \nATOM 217 HB2 LEU A 15 30.502 -35.146 8.251 1.00 0.05 H \nATOM 218 HB3 LEU A 15 28.802 -35.694 8.436 1.00 0.05 H \nATOM 219 HG LEU A 15 28.010 -33.404 8.159 1.00 -0.04 H \nATOM 220 HD21 LEU A 15 28.301 -34.826 6.165 1.00 0.10 H \nATOM 221 HD22 LEU A 15 28.629 -33.102 5.782 1.00 0.10 H \nATOM 222 HD23 LEU A 15 29.994 -34.251 5.992 1.00 0.10 H \nATOM 223 HD11 LEU A 15 30.956 -32.725 7.795 1.00 0.10 H \nATOM 224 HD12 LEU A 15 29.575 -31.615 7.497 1.00 0.10 H \nATOM 225 HD13 LEU A 15 29.898 -32.221 9.157 1.00 0.10 H \nATOM 226 H LEU A 15 30.220 -36.769 10.172 1.00 0.27 H \nATOM 227 N MET A 16 27.306 -35.104 10.762 1.00 -0.42 N \nATOM 228 CA MET A 16 26.011 -34.728 11.307 1.00 -0.02 C \nATOM 229 C MET A 16 26.139 -34.283 12.755 1.00 0.60 C \nATOM 230 O MET A 16 25.515 -33.310 13.171 1.00 -0.57 O \nATOM 231 CB MET A 16 25.007 -35.866 11.152 1.00 0.03 C \nATOM 232 CG MET A 16 24.709 -36.177 9.692 1.00 0.00 C \nATOM 233 SD MET A 16 23.337 -37.318 9.420 1.00 -0.27 S \nATOM 234 CE MET A 16 23.837 -38.699 10.431 1.00 -0.05 C \nATOM 235 HA MET A 16 25.637 -33.871 10.727 1.00 0.09 H \nATOM 236 HB2 MET A 16 25.418 -36.768 11.629 1.00 0.02 H \nATOM 237 HB3 MET A 16 24.069 -35.581 11.652 1.00 0.02 H \nATOM 238 HG2 MET A 16 24.472 -35.231 9.183 1.00 0.04 H \nATOM 239 HG3 MET A 16 25.613 -36.617 9.246 1.00 0.04 H \nATOM 240 HE1 MET A 16 23.945 -38.369 11.475 1.00 0.07 H \nATOM 241 HE2 MET A 16 23.075 -39.490 10.373 1.00 0.07 H \nATOM 242 HE3 MET A 16 24.799 -39.089 10.068 1.00 0.07 H \nATOM 243 H MET A 16 27.446 -36.029 10.410 1.00 0.27 H \nATOM 244 N SER A 17 26.977 -34.979 13.514 1.00 -0.42 N \nATOM 245 CA SER A 17 27.209 -34.614 14.905 1.00 -0.02 C \nATOM 246 C SER A 17 27.803 -33.204 15.017 1.00 0.60 C \nATOM 247 O SER A 17 27.296 -32.375 15.767 1.00 -0.57 O \nATOM 248 CB SER A 17 28.112 -35.642 15.589 1.00 0.21 C \nATOM 249 OG SER A 17 27.987 -35.564 16.995 1.00 -0.65 O \nATOM 250 HA SER A 17 26.238 -34.615 15.423 1.00 0.08 H \nATOM 251 HB2 SER A 17 27.826 -36.651 15.257 1.00 0.04 H \nATOM 252 HB3 SER A 17 29.158 -35.447 15.309 1.00 0.04 H \nATOM 253 HG SER A 17 28.555 -36.209 17.400 1.00 0.43 H \nATOM 254 H SER A 17 27.456 -35.766 13.125 1.00 0.27 H \nATOM 255 N LEU A 18 28.880 -32.939 14.282 1.00 -0.42 N \nATOM 256 CA LEU A 18 29.436 -31.593 14.230 1.00 -0.05 C \nATOM 257 C LEU A 18 28.324 -30.568 13.991 1.00 0.60 C \nATOM 258 O LEU A 18 28.064 -29.694 14.823 1.00 -0.57 O \nATOM 259 CB LEU A 18 30.464 -31.485 13.107 1.00 -0.11 C \nATOM 260 CG LEU A 18 31.905 -31.891 13.390 1.00 0.35 C \nATOM 261 CD1 LEU A 18 32.736 -31.745 12.131 1.00 -0.41 C \nATOM 262 CD2 LEU A 18 32.480 -31.042 14.511 1.00 -0.41 C \nATOM 263 HA LEU A 18 29.927 -31.374 15.190 1.00 0.09 H \nATOM 264 HB2 LEU A 18 30.107 -32.116 12.280 1.00 0.05 H \nATOM 265 HB3 LEU A 18 30.482 -30.433 12.785 1.00 0.05 H \nATOM 266 HG LEU A 18 31.921 -32.945 13.704 1.00 -0.04 H \nATOM 267 HD21 LEU A 18 31.875 -31.176 15.420 1.00 0.10 H \nATOM 268 HD22 LEU A 18 33.516 -31.352 14.712 1.00 0.10 H \nATOM 269 HD23 LEU A 18 32.466 -29.983 14.213 1.00 0.10 H \nATOM 270 HD11 LEU A 18 32.704 -30.700 11.790 1.00 0.10 H \nATOM 271 HD12 LEU A 18 33.777 -32.030 12.344 1.00 0.10 H \nATOM 272 HD13 LEU A 18 32.330 -32.400 11.346 1.00 0.10 H \nATOM 273 H LEU A 18 29.313 -33.673 13.759 1.00 0.27 H \nATOM 274 N ILE A 19 27.658 -30.696 12.851 1.00 -0.42 N \nATOM 275 CA ILE A 19 26.644 -29.736 12.438 1.00 -0.06 C \nATOM 276 C ILE A 19 25.467 -29.591 13.407 1.00 0.60 C \nATOM 277 O ILE A 19 25.059 -28.474 13.726 1.00 -0.57 O \nATOM 278 CB ILE A 19 26.125 -30.056 11.022 1.00 0.13 C \nATOM 279 CG1 ILE A 19 27.288 -30.035 10.026 1.00 -0.04 C \nATOM 280 CG2 ILE A 19 25.055 -29.052 10.602 1.00 -0.32 C \nATOM 281 CD1 ILE A 19 26.905 -30.458 8.611 1.00 -0.07 C \nATOM 282 HA ILE A 19 27.141 -28.755 12.394 1.00 0.09 H \nATOM 283 HB ILE A 19 25.681 -31.062 11.028 1.00 0.02 H \nATOM 284 HG12 ILE A 19 27.688 -29.011 9.984 1.00 0.02 H \nATOM 285 HG13 ILE A 19 28.068 -30.719 10.392 1.00 0.02 H \nATOM 286 HD11 ILE A 19 26.126 -29.784 8.225 1.00 0.02 H \nATOM 287 HD12 ILE A 19 27.790 -30.406 7.960 1.00 0.02 H \nATOM 288 HD13 ILE A 19 26.523 -31.489 8.627 1.00 0.02 H \nATOM 289 HG21 ILE A 19 25.479 -28.037 10.614 1.00 0.09 H \nATOM 290 HG22 ILE A 19 24.706 -29.291 9.587 1.00 0.09 H \nATOM 291 HG23 ILE A 19 24.209 -29.104 11.303 1.00 0.09 H \nATOM 292 H ILE A 19 27.858 -31.475 12.257 1.00 0.27 H \nATOM 293 N ILE A 20 24.909 -30.706 13.863 1.00 -0.42 N \nATOM 294 CA ILE A 20 23.746 -30.649 14.749 1.00 -0.06 C \nATOM 295 C ILE A 20 24.094 -29.951 16.065 1.00 0.60 C \nATOM 296 O ILE A 20 23.276 -29.223 16.631 1.00 -0.57 O \nATOM 297 CB ILE A 20 23.171 -32.059 15.024 1.00 0.13 C \nATOM 298 CG1 ILE A 20 21.771 -32.199 14.420 1.00 -0.04 C \nATOM 299 CG2 ILE A 20 23.145 -32.349 16.520 1.00 -0.32 C \nATOM 300 CD1 ILE A 20 20.625 -31.863 15.379 1.00 -0.07 C \nATOM 301 HA ILE A 20 22.967 -30.058 14.245 1.00 0.09 H \nATOM 302 HB ILE A 20 23.828 -32.798 14.542 1.00 0.02 H \nATOM 303 HG12 ILE A 20 21.702 -31.524 13.554 1.00 0.02 H \nATOM 304 HG13 ILE A 20 21.644 -33.239 14.086 1.00 0.02 H \nATOM 305 HD11 ILE A 20 20.729 -30.824 15.725 1.00 0.02 H \nATOM 306 HD12 ILE A 20 19.664 -31.981 14.857 1.00 0.02 H \nATOM 307 HD13 ILE A 20 20.659 -32.542 16.243 1.00 0.02 H \nATOM 308 HG21 ILE A 20 22.523 -31.597 17.028 1.00 0.09 H \nATOM 309 HG22 ILE A 20 22.724 -33.351 16.692 1.00 0.09 H \nATOM 310 HG23 ILE A 20 24.169 -32.308 16.919 1.00 0.09 H \nATOM 311 H ILE A 20 25.287 -31.593 13.598 1.00 0.27 H \nATOM 312 N ASN A 21 25.317 -30.179 16.536 1.00 -0.42 N \nATOM 313 CA ASN A 21 25.822 -29.558 17.753 1.00 0.01 C \nATOM 314 C ASN A 21 26.791 -28.429 17.437 1.00 0.60 C \nATOM 315 O ASN A 21 27.972 -28.485 17.793 1.00 -0.57 O \nATOM 316 CB ASN A 21 26.527 -30.588 18.635 1.00 -0.20 C \nATOM 317 CG ASN A 21 25.640 -31.760 18.985 1.00 0.71 C \nATOM 318 OD1 ASN A 21 24.698 -31.625 19.763 1.00 -0.59 O \nATOM 319 ND2 ASN A 21 25.944 -32.924 18.420 1.00 -0.92 N \nATOM 320 HA ASN A 21 24.968 -29.143 18.308 1.00 0.10 H \nATOM 321 HB2 ASN A 21 27.411 -30.963 18.100 1.00 0.08 H \nATOM 322 HB3 ASN A 21 26.844 -30.096 19.566 1.00 0.08 H \nATOM 323 HD22 ASN A 21 25.391 -33.734 18.615 1.00 0.42 H \nATOM 324 HD21 ASN A 21 26.725 -32.990 17.799 1.00 0.42 H \nATOM 325 H ASN A 21 25.915 -30.803 16.033 1.00 0.27 H \nATOM 326 N THR A 22 26.293 -27.407 16.753 1.00 -0.42 N \nATOM 327 CA THR A 22 27.092 -26.220 16.481 1.00 -0.04 C \nATOM 328 C THR A 22 26.453 -24.975 17.106 1.00 0.60 C \nATOM 329 O THR A 22 25.225 -24.835 17.138 1.00 -0.57 O \nATOM 330 CB THR A 22 27.290 -25.999 14.967 1.00 0.37 C \nATOM 331 OG1 THR A 22 28.348 -25.055 14.745 1.00 -0.68 O \nATOM 332 CG2 THR A 22 26.004 -25.484 14.335 1.00 -0.24 C \nATOM 333 HA THR A 22 28.082 -26.367 16.938 1.00 0.10 H \nATOM 334 HB THR A 22 27.560 -26.957 14.499 1.00 0.00 H \nATOM 335 HG1 THR A 22 28.464 -24.924 13.811 1.00 0.41 H \nATOM 336 HG23 THR A 22 25.466 -26.320 13.865 1.00 0.06 H \nATOM 337 HG21 THR A 22 25.370 -25.030 15.111 1.00 0.06 H \nATOM 338 HG22 THR A 22 26.247 -24.730 13.572 1.00 0.06 H \nATOM 339 H THR A 22 25.352 -27.453 16.418 1.00 0.27 H \nATOM 340 N VAL A 23 27.309 -24.098 17.623 1.00 -0.42 N \nATOM 341 CA VAL A 23 26.923 -22.787 18.122 1.00 -0.09 C \nATOM 342 C VAL A 23 26.798 -21.831 16.933 1.00 0.60 C \nATOM 343 O VAL A 23 26.295 -20.719 17.068 1.00 -0.57 O \nATOM 344 CB VAL A 23 28.001 -22.233 19.101 1.00 0.30 C \nATOM 345 CG1 VAL A 23 27.697 -20.799 19.500 1.00 -0.32 C \nATOM 346 CG2 VAL A 23 28.138 -23.114 20.336 1.00 -0.32 C \nATOM 347 HA VAL A 23 25.958 -22.862 18.644 1.00 0.10 H \nATOM 348 HB VAL A 23 28.966 -22.239 18.574 1.00 -0.03 H \nATOM 349 HG11 VAL A 23 26.712 -20.755 19.988 1.00 0.08 H \nATOM 350 HG12 VAL A 23 28.469 -20.441 20.198 1.00 0.08 H \nATOM 351 HG13 VAL A 23 27.690 -20.162 18.603 1.00 0.08 H \nATOM 352 HG21 VAL A 23 28.423 -24.132 20.031 1.00 0.08 H \nATOM 353 HG22 VAL A 23 28.913 -22.700 20.998 1.00 0.08 H \nATOM 354 HG23 VAL A 23 27.178 -23.147 20.871 1.00 0.08 H \nATOM 355 H VAL A 23 28.274 -24.355 17.672 1.00 0.27 H \nATOM 356 N TYR A 24 27.255 -22.281 15.765 1.00 -0.42 N \nATOM 357 CA TYR A 24 27.322 -21.438 14.570 1.00 -0.00 C \nATOM 358 C TYR A 24 26.139 -20.474 14.448 1.00 0.60 C \nATOM 359 O TYR A 24 25.005 -20.823 14.776 1.00 -0.57 O \nATOM 360 CB TYR A 24 27.441 -22.305 13.309 1.00 -0.02 C \nATOM 361 CG TYR A 24 27.706 -21.521 12.039 1.00 -0.00 C \nATOM 362 CD1 TYR A 24 28.968 -20.993 11.769 1.00 -0.19 C \nATOM 363 CD2 TYR A 24 26.698 -21.311 11.108 1.00 -0.19 C \nATOM 364 CE1 TYR A 24 29.214 -20.274 10.603 1.00 -0.23 C \nATOM 365 CE2 TYR A 24 26.934 -20.599 9.942 1.00 -0.23 C \nATOM 366 CZ TYR A 24 28.189 -20.080 9.693 1.00 0.32 C \nATOM 367 OH TYR A 24 28.407 -19.373 8.529 1.00 -0.56 O \nATOM 368 HA TYR A 24 28.235 -20.829 14.649 1.00 0.09 H \nATOM 369 HB3 TYR A 24 28.268 -23.015 13.455 1.00 0.03 H \nATOM 370 HB2 TYR A 24 26.500 -22.860 13.182 1.00 0.03 H \nATOM 371 HD2 TYR A 24 25.708 -21.711 11.296 1.00 0.17 H \nATOM 372 HE2 TYR A 24 26.134 -20.450 9.226 1.00 0.17 H \nATOM 373 HE1 TYR A 24 30.201 -19.869 10.409 1.00 0.17 H \nATOM 374 HD1 TYR A 24 29.772 -21.145 12.480 1.00 0.17 H \nATOM 375 HH TYR A 24 29.311 -19.083 8.500 1.00 0.40 H \nATOM 376 H TYR A 24 27.564 -23.230 15.702 1.00 0.27 H \nATOM 377 N SER A 25 26.402 -19.263 13.970 1.00 -0.42 N \nATOM 378 CA SER A 25 25.371 -18.224 13.943 1.00 -0.02 C \nATOM 379 C SER A 25 24.628 -18.104 12.606 1.00 0.60 C \nATOM 380 O SER A 25 23.410 -17.888 12.574 1.00 -0.57 O \nATOM 381 CB SER A 25 25.970 -16.874 14.348 1.00 0.21 C \nATOM 382 OG SER A 25 27.247 -16.690 13.761 1.00 -0.65 O \nATOM 383 HA SER A 25 24.622 -18.497 14.700 1.00 0.08 H \nATOM 384 HB2 SER A 25 25.300 -16.068 14.013 1.00 0.04 H \nATOM 385 HB3 SER A 25 26.069 -16.838 15.443 1.00 0.04 H \nATOM 386 HG SER A 25 27.599 -15.848 14.025 1.00 0.43 H \nATOM 387 H SER A 25 27.317 -19.058 13.624 1.00 0.27 H \nATOM 388 N ASN A 26 25.364 -18.255 11.511 1.00 -0.42 N \nATOM 389 CA ASN A 26 24.811 -18.055 10.176 1.00 0.01 C \nATOM 390 C ASN A 26 24.033 -19.279 9.673 1.00 0.60 C \nATOM 391 O ASN A 26 24.264 -19.748 8.564 1.00 -0.57 O \nATOM 392 CB ASN A 26 25.951 -17.708 9.213 1.00 -0.20 C \nATOM 393 CG ASN A 26 25.464 -17.143 7.892 1.00 0.71 C \nATOM 394 OD1 ASN A 26 24.337 -16.657 7.783 1.00 -0.59 O \nATOM 395 ND2 ASN A 26 26.325 -17.195 6.877 1.00 -0.92 N \nATOM 396 HA ASN A 26 24.114 -17.205 10.216 1.00 0.10 H \nATOM 397 HB2 ASN A 26 26.601 -16.962 9.694 1.00 0.08 H \nATOM 398 HB3 ASN A 26 26.529 -18.622 9.011 1.00 0.08 H \nATOM 399 HD22 ASN A 26 26.063 -16.838 5.980 1.00 0.42 H \nATOM 400 HD21 ASN A 26 27.233 -17.591 7.012 1.00 0.42 H \nATOM 401 H ASN A 26 26.326 -18.513 11.604 1.00 0.27 H \nATOM 402 N LYS A 27 23.106 -19.784 10.485 1.00 -0.35 N \nATOM 403 CA LYS A 27 22.387 -21.022 10.151 1.00 -0.24 C \nATOM 404 C LYS A 27 21.550 -20.935 8.858 1.00 0.73 C \nATOM 405 O LYS A 27 21.290 -21.955 8.212 1.00 -0.59 O \nATOM 406 CB LYS A 27 21.514 -21.478 11.330 1.00 -0.01 C \nATOM 407 CG LYS A 27 22.309 -22.031 12.525 1.00 0.02 C \nATOM 408 CD LYS A 27 21.438 -22.157 13.771 1.00 -0.05 C \nATOM 409 CE LYS A 27 21.891 -23.290 14.688 1.00 -0.01 C \nATOM 410 NZ LYS A 27 23.278 -23.119 15.188 1.00 -0.39 N \nATOM 411 HA LYS A 27 23.149 -21.797 9.985 1.00 0.14 H \nATOM 412 HB2 LYS A 27 20.925 -20.616 11.677 1.00 0.04 H \nATOM 413 HB3 LYS A 27 20.835 -22.266 10.972 1.00 0.04 H \nATOM 414 HG2 LYS A 27 22.702 -23.024 12.263 1.00 0.01 H \nATOM 415 HG3 LYS A 27 23.146 -21.351 12.742 1.00 0.01 H \nATOM 416 HD2 LYS A 27 21.483 -21.211 14.330 1.00 0.06 H \nATOM 417 HD3 LYS A 27 20.401 -22.349 13.459 1.00 0.06 H \nATOM 418 HE2 LYS A 27 21.211 -23.334 15.552 1.00 0.11 H \nATOM 419 HE3 LYS A 27 21.835 -24.236 14.129 1.00 0.11 H \nATOM 420 HZ1 LYS A 27 23.345 -22.255 15.703 1.00 0.34 H \nATOM 421 HZ2 LYS A 27 23.515 -23.890 15.793 1.00 0.34 H \nATOM 422 HZ3 LYS A 27 23.916 -23.096 14.408 1.00 0.34 H \nATOM 423 H LYS A 27 22.894 -19.311 11.340 1.00 0.27 H \nATOM 424 N GLU A 28 21.181 -19.715 8.474 1.00 -0.52 N \nATOM 425 CA GLU A 28 20.311 -19.475 7.323 1.00 0.04 C \nATOM 426 C GLU A 28 20.880 -19.976 5.994 1.00 0.54 C \nATOM 427 O GLU A 28 20.153 -20.104 5.010 1.00 -0.58 O \nATOM 428 CB GLU A 28 19.971 -17.978 7.216 1.00 0.06 C \nATOM 429 CG GLU A 28 21.052 -17.129 6.580 1.00 0.01 C \nATOM 430 CD GLU A 28 20.754 -15.631 6.671 1.00 0.81 C \nATOM 431 OE1 GLU A 28 20.410 -15.154 7.768 1.00 -0.82 O \nATOM 432 OE2 GLU A 28 20.850 -14.935 5.643 1.00 -0.82 O \nATOM 433 HA GLU A 28 19.375 -20.024 7.504 1.00 0.11 H \nATOM 434 HB2 GLU A 28 19.056 -17.876 6.614 1.00 -0.02 H \nATOM 435 HB3 GLU A 28 19.787 -17.595 8.230 1.00 -0.02 H \nATOM 436 HG2 GLU A 28 22.005 -17.330 7.092 1.00 -0.04 H \nATOM 437 HG3 GLU A 28 21.140 -17.407 5.519 1.00 -0.04 H \nATOM 438 H GLU A 28 21.513 -18.929 8.995 1.00 0.29 H \nATOM 439 N ILE A 29 22.176 -20.257 5.949 1.00 -0.42 N \nATOM 440 CA ILE A 29 22.771 -20.773 4.719 1.00 -0.06 C \nATOM 441 C ILE A 29 22.242 -22.162 4.335 1.00 0.60 C \nATOM 442 O ILE A 29 22.407 -22.599 3.197 1.00 -0.57 O \nATOM 443 CB ILE A 29 24.332 -20.824 4.794 1.00 0.13 C \nATOM 444 CG1 ILE A 29 24.793 -21.707 5.955 1.00 -0.04 C \nATOM 445 CG2 ILE A 29 24.922 -19.427 4.907 1.00 -0.32 C \nATOM 446 CD1 ILE A 29 25.059 -23.127 5.559 1.00 -0.07 C \nATOM 447 HA ILE A 29 22.496 -20.077 3.912 1.00 0.09 H \nATOM 448 HB ILE A 29 24.701 -21.272 3.860 1.00 0.02 H \nATOM 449 HG12 ILE A 29 25.719 -21.282 6.369 1.00 0.02 H \nATOM 450 HG13 ILE A 29 24.010 -21.702 6.728 1.00 0.02 H \nATOM 451 HD11 ILE A 29 25.841 -23.152 4.786 1.00 0.02 H \nATOM 452 HD12 ILE A 29 25.395 -23.696 6.438 1.00 0.02 H \nATOM 453 HD13 ILE A 29 24.137 -23.576 5.162 1.00 0.02 H \nATOM 454 HG21 ILE A 29 24.534 -18.937 5.813 1.00 0.09 H \nATOM 455 HG22 ILE A 29 26.018 -19.496 4.968 1.00 0.09 H \nATOM 456 HG23 ILE A 29 24.640 -18.837 4.022 1.00 0.09 H \nATOM 457 H ILE A 29 22.746 -20.115 6.758 1.00 0.27 H \nATOM 458 N PHE A 30 21.613 -22.864 5.268 1.00 -0.42 N \nATOM 459 CA PHE A 30 21.030 -24.157 4.916 1.00 -0.00 C \nATOM 460 C PHE A 30 20.094 -23.998 3.709 1.00 0.60 C \nATOM 461 O PHE A 30 20.047 -24.870 2.832 1.00 -0.57 O \nATOM 462 CB PHE A 30 20.241 -24.753 6.088 1.00 -0.03 C \nATOM 463 CG PHE A 30 18.825 -24.226 6.195 1.00 0.01 C \nATOM 464 CD1 PHE A 30 18.555 -23.065 6.901 1.00 -0.13 C \nATOM 465 CD2 PHE A 30 17.776 -24.886 5.572 1.00 -0.13 C \nATOM 466 CE1 PHE A 30 17.238 -22.572 6.997 1.00 -0.17 C \nATOM 467 CE2 PHE A 30 16.471 -24.412 5.655 1.00 -0.17 C \nATOM 468 CZ PHE A 30 16.202 -23.245 6.369 1.00 -0.11 C \nATOM 469 HA PHE A 30 21.844 -24.848 4.650 1.00 0.10 H \nATOM 470 HB2 PHE A 30 20.197 -25.844 5.959 1.00 0.03 H \nATOM 471 HB3 PHE A 30 20.772 -24.515 7.022 1.00 0.03 H \nATOM 472 HD2 PHE A 30 17.977 -25.790 5.009 1.00 0.13 H \nATOM 473 HE2 PHE A 30 15.666 -24.948 5.166 1.00 0.14 H \nATOM 474 HZ PHE A 30 15.188 -22.866 6.433 1.00 0.13 H \nATOM 475 HE1 PHE A 30 17.036 -21.668 7.561 1.00 0.14 H \nATOM 476 HD1 PHE A 30 19.365 -22.530 7.384 1.00 0.13 H \nATOM 477 H PHE A 30 21.539 -22.513 6.201 1.00 0.27 H \nATOM 478 N LEU A 31 19.341 -22.899 3.677 1.00 -0.42 N \nATOM 479 CA LEU A 31 18.371 -22.665 2.596 1.00 -0.05 C \nATOM 480 C LEU A 31 19.070 -22.468 1.252 1.00 0.60 C \nATOM 481 O LEU A 31 18.604 -22.956 0.234 1.00 -0.57 O \nATOM 482 CB LEU A 31 17.462 -21.469 2.893 1.00 -0.11 C \nATOM 483 CG LEU A 31 16.206 -21.303 2.007 1.00 0.35 C \nATOM 484 CD1 LEU A 31 15.342 -22.548 2.045 1.00 -0.41 C \nATOM 485 CD2 LEU A 31 15.387 -20.097 2.430 1.00 -0.41 C \nATOM 486 HA LEU A 31 17.736 -23.560 2.520 1.00 0.09 H \nATOM 487 HB2 LEU A 31 17.123 -21.561 3.935 1.00 0.05 H \nATOM 488 HB3 LEU A 31 18.068 -20.557 2.784 1.00 0.05 H \nATOM 489 HG LEU A 31 16.540 -21.146 0.971 1.00 -0.04 H \nATOM 490 HD21 LEU A 31 16.003 -19.189 2.351 1.00 0.10 H \nATOM 491 HD22 LEU A 31 14.509 -20.002 1.775 1.00 0.10 H \nATOM 492 HD23 LEU A 31 15.056 -20.226 3.471 1.00 0.10 H \nATOM 493 HD11 LEU A 31 15.028 -22.745 3.081 1.00 0.10 H \nATOM 494 HD12 LEU A 31 14.453 -22.397 1.415 1.00 0.10 H \nATOM 495 HD13 LEU A 31 15.918 -23.406 1.667 1.00 0.10 H \nATOM 496 H LEU A 31 19.437 -22.219 4.404 1.00 0.27 H \nATOM 497 N ARG A 32 20.197 -21.764 1.248 1.00 -0.35 N \nATOM 498 CA ARG A 32 20.957 -21.595 0.010 1.00 -0.26 C \nATOM 499 C ARG A 32 21.389 -22.957 -0.528 1.00 0.73 C \nATOM 500 O ARG A 32 21.363 -23.205 -1.738 1.00 -0.59 O \nATOM 501 CB ARG A 32 22.199 -20.733 0.247 1.00 -0.00 C \nATOM 502 CG ARG A 32 22.993 -20.443 -1.017 1.00 0.04 C \nATOM 503 CD ARG A 32 24.372 -19.891 -0.696 1.00 0.05 C \nATOM 504 NE ARG A 32 25.172 -20.862 0.043 1.00 -0.53 N \nATOM 505 CZ ARG A 32 26.432 -20.666 0.416 1.00 0.81 C \nATOM 506 NH1 ARG A 32 27.048 -19.527 0.123 1.00 -0.86 N \nATOM 507 NH2 ARG A 32 27.076 -21.612 1.085 1.00 -0.86 N \nATOM 508 HA ARG A 32 20.316 -21.101 -0.734 1.00 0.16 H \nATOM 509 HB2 ARG A 32 21.879 -19.775 0.683 1.00 0.03 H \nATOM 510 HB3 ARG A 32 22.856 -21.258 0.957 1.00 0.03 H \nATOM 511 HG2 ARG A 32 23.106 -21.375 -1.590 1.00 0.03 H \nATOM 512 HG3 ARG A 32 22.445 -19.705 -1.622 1.00 0.03 H \nATOM 513 HD2 ARG A 32 24.887 -19.644 -1.636 1.00 0.07 H \nATOM 514 HD3 ARG A 32 24.261 -18.981 -0.088 1.00 0.07 H \nATOM 515 HE ARG A 32 24.731 -21.759 0.292 1.00 0.35 H \nATOM 516 HH12 ARG A 32 28.025 -19.380 0.414 1.00 0.45 H \nATOM 517 HH11 ARG A 32 26.549 -18.790 -0.396 1.00 0.45 H \nATOM 518 HH22 ARG A 32 28.053 -21.463 1.376 1.00 0.45 H \nATOM 519 HH21 ARG A 32 26.600 -22.496 1.314 1.00 0.45 H \nATOM 520 H ARG A 32 20.527 -21.348 2.095 1.00 0.27 H \nATOM 521 N GLU A 33 21.813 -23.831 0.377 1.00 -0.52 N \nATOM 522 CA GLU A 33 22.310 -25.143 -0.032 1.00 0.04 C \nATOM 523 C GLU A 33 21.197 -26.005 -0.606 1.00 0.54 C \nATOM 524 O GLU A 33 21.380 -26.711 -1.608 1.00 -0.58 O \nATOM 525 CB GLU A 33 22.974 -25.876 1.140 1.00 0.06 C \nATOM 526 CG GLU A 33 24.278 -25.257 1.653 1.00 0.01 C \nATOM 527 CD GLU A 33 25.324 -25.042 0.567 1.00 0.81 C \nATOM 528 OE1 GLU A 33 25.554 -25.939 -0.272 1.00 -0.82 O \nATOM 529 OE2 GLU A 33 25.925 -23.955 0.557 1.00 -0.82 O \nATOM 530 HA GLU A 33 23.066 -24.989 -0.816 1.00 0.11 H \nATOM 531 HB2 GLU A 33 22.258 -25.898 1.975 1.00 -0.02 H \nATOM 532 HB3 GLU A 33 23.192 -26.905 0.816 1.00 -0.02 H \nATOM 533 HG2 GLU A 33 24.044 -24.283 2.108 1.00 -0.04 H \nATOM 534 HG3 GLU A 33 24.703 -25.925 2.416 1.00 -0.04 H \nATOM 535 H GLU A 33 21.792 -23.589 1.347 1.00 0.29 H \nATOM 536 N LEU A 34 20.043 -26.003 0.054 1.00 -0.42 N \nATOM 537 CA LEU A 34 18.935 -26.819 -0.429 1.00 -0.05 C \nATOM 538 C LEU A 34 18.388 -26.295 -1.754 1.00 0.60 C \nATOM 539 O LEU A 34 18.023 -27.063 -2.629 1.00 -0.57 O \nATOM 540 CB LEU A 34 17.830 -26.929 0.627 1.00 -0.11 C \nATOM 541 CG LEU A 34 18.344 -27.460 1.967 1.00 0.35 C \nATOM 542 CD1 LEU A 34 17.197 -27.790 2.909 1.00 -0.41 C \nATOM 543 CD2 LEU A 34 19.246 -28.681 1.764 1.00 -0.41 C \nATOM 544 HA LEU A 34 19.324 -27.832 -0.610 1.00 0.09 H \nATOM 545 HB2 LEU A 34 17.396 -25.931 0.787 1.00 0.05 H \nATOM 546 HB3 LEU A 34 17.053 -27.611 0.253 1.00 0.05 H \nATOM 547 HG LEU A 34 18.947 -26.667 2.434 1.00 -0.04 H \nATOM 548 HD21 LEU A 34 20.103 -28.403 1.133 1.00 0.10 H \nATOM 549 HD22 LEU A 34 19.609 -29.035 2.740 1.00 0.10 H \nATOM 550 HD23 LEU A 34 18.674 -29.482 1.273 1.00 0.10 H \nATOM 551 HD11 LEU A 34 16.550 -28.551 2.447 1.00 0.10 H \nATOM 552 HD12 LEU A 34 17.600 -28.178 3.856 1.00 0.10 H \nATOM 553 HD13 LEU A 34 16.610 -26.880 3.105 1.00 0.10 H \nATOM 554 H LEU A 34 19.935 -25.445 0.877 1.00 0.27 H \nATOM 555 N ILE A 35 18.359 -24.978 -1.912 1.00 -0.42 N \nATOM 556 CA ILE A 35 17.906 -24.386 -3.163 1.00 -0.06 C \nATOM 557 C ILE A 35 18.896 -24.708 -4.281 1.00 0.60 C \nATOM 558 O ILE A 35 18.504 -25.007 -5.408 1.00 -0.57 O \nATOM 559 CB ILE A 35 17.715 -22.829 -3.000 1.00 0.13 C \nATOM 560 CG1 ILE A 35 16.486 -22.542 -2.124 1.00 -0.04 C \nATOM 561 CG2 ILE A 35 17.604 -22.148 -4.357 1.00 -0.32 C \nATOM 562 CD1 ILE A 35 16.219 -21.052 -1.839 1.00 -0.07 C \nATOM 563 HA ILE A 35 16.933 -24.827 -3.425 1.00 0.09 H \nATOM 564 HB ILE A 35 18.602 -22.425 -2.490 1.00 0.02 H \nATOM 565 HG12 ILE A 35 15.602 -22.955 -2.631 1.00 0.02 H \nATOM 566 HG13 ILE A 35 16.628 -23.053 -1.160 1.00 0.02 H \nATOM 567 HD11 ILE A 35 16.069 -20.518 -2.789 1.00 0.02 H \nATOM 568 HD12 ILE A 35 15.317 -20.954 -1.216 1.00 0.02 H \nATOM 569 HD13 ILE A 35 17.080 -20.620 -1.308 1.00 0.02 H \nATOM 570 HG21 ILE A 35 16.745 -22.562 -4.906 1.00 0.09 H \nATOM 571 HG22 ILE A 35 17.462 -21.067 -4.214 1.00 0.09 H \nATOM 572 HG23 ILE A 35 18.525 -22.324 -4.932 1.00 0.09 H \nATOM 573 H ILE A 35 18.652 -24.384 -1.163 1.00 0.27 H \nATOM 574 N SER A 36 20.186 -24.663 -3.965 1.00 -0.42 N \nATOM 575 CA SER A 36 21.213 -24.974 -4.954 1.00 -0.02 C \nATOM 576 C SER A 36 21.111 -26.446 -5.363 1.00 0.60 C \nATOM 577 O SER A 36 21.274 -26.789 -6.538 1.00 -0.57 O \nATOM 578 CB SER A 36 22.603 -24.681 -4.395 1.00 0.21 C \nATOM 579 OG SER A 36 23.615 -25.259 -5.206 1.00 -0.65 O \nATOM 580 HA SER A 36 21.050 -24.346 -5.842 1.00 0.08 H \nATOM 581 HB2 SER A 36 22.752 -23.592 -4.357 1.00 0.04 H \nATOM 582 HB3 SER A 36 22.676 -25.097 -3.379 1.00 0.04 H \nATOM 583 HG SER A 36 24.468 -25.062 -4.837 1.00 0.43 H \nATOM 584 H SER A 36 20.457 -24.412 -3.036 1.00 0.27 H \nATOM 585 N ASN A 37 20.840 -27.308 -4.389 1.00 -0.42 N \nATOM 586 CA ASN A 37 20.655 -28.729 -4.678 1.00 0.01 C \nATOM 587 C ASN A 37 19.434 -28.928 -5.573 1.00 0.60 C \nATOM 588 O ASN A 37 19.459 -29.710 -6.530 1.00 -0.57 O \nATOM 589 CB ASN A 37 20.415 -29.498 -3.385 1.00 -0.20 C \nATOM 590 CG ASN A 37 21.651 -29.635 -2.551 1.00 0.71 C \nATOM 591 OD1 ASN A 37 22.749 -29.293 -2.990 1.00 -0.59 O \nATOM 592 ND2 ASN A 37 21.492 -30.183 -1.351 1.00 -0.92 N \nATOM 593 HA ASN A 37 21.552 -29.118 -5.181 1.00 0.10 H \nATOM 594 HB2 ASN A 37 19.652 -28.967 -2.797 1.00 0.08 H \nATOM 595 HB3 ASN A 37 20.049 -30.504 -3.638 1.00 0.08 H \nATOM 596 HD22 ASN A 37 22.280 -30.302 -0.747 1.00 0.42 H \nATOM 597 HD21 ASN A 37 20.584 -30.477 -1.052 1.00 0.42 H \nATOM 598 H ASN A 37 20.762 -26.981 -3.447 1.00 0.27 H \nATOM 599 N ALA A 38 18.356 -28.225 -5.225 1.00 -0.42 N \nATOM 600 CA ALA A 38 17.123 -28.277 -5.998 1.00 0.03 C \nATOM 601 C ALA A 38 17.418 -27.832 -7.420 1.00 0.60 C \nATOM 602 O ALA A 38 17.003 -28.480 -8.382 1.00 -0.57 O \nATOM 603 CB ALA A 38 16.051 -27.374 -5.370 1.00 -0.18 C \nATOM 604 HA ALA A 38 16.751 -29.312 -6.013 1.00 0.08 H \nATOM 605 HB1 ALA A 38 15.130 -27.428 -5.968 1.00 0.06 H \nATOM 606 HB2 ALA A 38 15.842 -27.712 -4.344 1.00 0.06 H \nATOM 607 HB3 ALA A 38 16.413 -26.336 -5.348 1.00 0.06 H \nATOM 608 H ALA A 38 18.395 -27.646 -4.411 1.00 0.27 H \nATOM 609 N SER A 39 18.134 -26.714 -7.539 1.00 -0.42 N \nATOM 610 CA SER A 39 18.469 -26.168 -8.849 1.00 -0.02 C \nATOM 611 C SER A 39 19.308 -27.141 -9.669 1.00 0.60 C \nATOM 612 O SER A 39 19.128 -27.254 -10.873 1.00 -0.57 O \nATOM 613 CB SER A 39 19.183 -24.822 -8.726 1.00 0.21 C \nATOM 614 OG SER A 39 19.465 -24.307 -10.015 1.00 -0.65 O \nATOM 615 HA SER A 39 17.526 -26.001 -9.390 1.00 0.08 H \nATOM 616 HB2 SER A 39 18.538 -24.115 -8.184 1.00 0.04 H \nATOM 617 HB3 SER A 39 20.124 -24.957 -8.173 1.00 0.04 H \nATOM 618 HG SER A 39 19.908 -23.471 -9.932 1.00 0.43 H \nATOM 619 H SER A 39 18.447 -26.241 -6.715 1.00 0.27 H \nATOM 620 N ASP A 40 20.216 -27.850 -9.003 1.00 -0.52 N \nATOM 621 CA ASP A 40 21.039 -28.856 -9.652 1.00 0.04 C \nATOM 622 C ASP A 40 20.174 -30.026 -10.142 1.00 0.54 C \nATOM 623 O ASP A 40 20.343 -30.508 -11.263 1.00 -0.58 O \nATOM 624 CB ASP A 40 22.128 -29.345 -8.686 1.00 -0.03 C \nATOM 625 CG ASP A 40 22.977 -30.463 -9.268 1.00 0.80 C \nATOM 626 OD1 ASP A 40 23.855 -30.167 -10.103 1.00 -0.80 O \nATOM 627 OD2 ASP A 40 22.783 -31.636 -8.882 1.00 -0.80 O \nATOM 628 HA ASP A 40 21.528 -28.398 -10.525 1.00 0.09 H \nATOM 629 HB2 ASP A 40 22.785 -28.498 -8.440 1.00 -0.01 H \nATOM 630 HB3 ASP A 40 21.644 -29.713 -7.769 1.00 -0.01 H \nATOM 631 H ASP A 40 20.336 -27.685 -8.024 1.00 0.29 H \nATOM 632 N ALA A 41 19.250 -30.482 -9.300 1.00 -0.42 N \nATOM 633 CA ALA A 41 18.318 -31.544 -9.696 1.00 0.03 C \nATOM 634 C ALA A 41 17.482 -31.126 -10.905 1.00 0.60 C \nATOM 635 O ALA A 41 17.176 -31.941 -11.781 1.00 -0.57 O \nATOM 636 CB ALA A 41 17.415 -31.934 -8.520 1.00 -0.18 C \nATOM 637 HA ALA A 41 18.909 -32.427 -9.981 1.00 0.08 H \nATOM 638 HB1 ALA A 41 16.725 -32.730 -8.836 1.00 0.06 H \nATOM 639 HB2 ALA A 41 18.035 -32.296 -7.686 1.00 0.06 H \nATOM 640 HB3 ALA A 41 16.838 -31.056 -8.194 1.00 0.06 H \nATOM 641 H ALA A 41 19.190 -30.094 -8.380 1.00 0.27 H \nATOM 642 N LEU A 42 17.117 -29.850 -10.951 1.00 -0.42 N \nATOM 643 CA LEU A 42 16.395 -29.320 -12.108 1.00 -0.05 C \nATOM 644 C LEU A 42 17.317 -29.236 -13.353 1.00 0.60 C \nATOM 645 O LEU A 42 16.906 -29.595 -14.458 1.00 -0.57 O \nATOM 646 CB LEU A 42 15.754 -27.971 -11.760 1.00 -0.11 C \nATOM 647 CG LEU A 42 14.545 -28.084 -10.806 1.00 0.35 C \nATOM 648 CD1 LEU A 42 14.382 -26.839 -9.921 1.00 -0.41 C \nATOM 649 CD2 LEU A 42 13.274 -28.342 -11.597 1.00 -0.41 C \nATOM 650 HA LEU A 42 15.582 -30.021 -12.348 1.00 0.09 H \nATOM 651 HB2 LEU A 42 16.516 -27.338 -11.281 1.00 0.05 H \nATOM 652 HB3 LEU A 42 15.416 -27.496 -12.693 1.00 0.05 H \nATOM 653 HG LEU A 42 14.718 -28.946 -10.144 1.00 -0.04 H \nATOM 654 HD21 LEU A 42 13.381 -29.276 -12.168 1.00 0.10 H \nATOM 655 HD22 LEU A 42 12.423 -28.430 -10.905 1.00 0.10 H \nATOM 656 HD23 LEU A 42 13.098 -27.506 -12.290 1.00 0.10 H \nATOM 657 HD11 LEU A 42 14.243 -25.953 -10.557 1.00 0.10 H \nATOM 658 HD12 LEU A 42 13.505 -26.964 -9.270 1.00 0.10 H \nATOM 659 HD13 LEU A 42 15.282 -26.708 -9.302 1.00 0.10 H \nATOM 660 H LEU A 42 17.338 -29.245 -10.186 1.00 0.27 H \nATOM 661 N ASP A 43 18.571 -28.816 -13.170 1.00 -0.52 N \nATOM 662 CA ASP A 43 19.525 -28.820 -14.291 1.00 0.04 C \nATOM 663 C ASP A 43 19.619 -30.219 -14.903 1.00 0.54 C \nATOM 664 O ASP A 43 19.568 -30.381 -16.125 1.00 -0.58 O \nATOM 665 CB ASP A 43 20.929 -28.364 -13.859 1.00 -0.03 C \nATOM 666 CG ASP A 43 21.016 -26.866 -13.596 1.00 0.80 C \nATOM 667 OD1 ASP A 43 20.082 -26.120 -13.965 1.00 -0.80 O \nATOM 668 OD2 ASP A 43 22.043 -26.434 -13.031 1.00 -0.80 O \nATOM 669 HA ASP A 43 19.155 -28.123 -15.058 1.00 0.09 H \nATOM 670 HB2 ASP A 43 21.202 -28.898 -12.937 1.00 -0.01 H \nATOM 671 HB3 ASP A 43 21.642 -28.621 -14.656 1.00 -0.01 H \nATOM 672 H ASP A 43 18.863 -28.498 -12.268 1.00 0.29 H \nATOM 673 N ARG A 44 19.774 -31.223 -14.043 1.00 -0.35 N \nATOM 674 CA ARG A 44 19.894 -32.621 -14.474 1.00 -0.26 C \nATOM 675 C ARG A 44 18.761 -33.096 -15.384 1.00 0.73 C \nATOM 676 O ARG A 44 19.013 -33.605 -16.476 1.00 -0.59 O \nATOM 677 CB ARG A 44 19.977 -33.553 -13.253 1.00 -0.00 C \nATOM 678 CG ARG A 44 21.177 -33.308 -12.339 1.00 0.04 C \nATOM 679 CD ARG A 44 22.477 -33.478 -13.108 1.00 0.05 C \nATOM 680 NE ARG A 44 23.671 -33.189 -12.316 1.00 -0.53 N \nATOM 681 CZ ARG A 44 24.298 -32.016 -12.312 1.00 0.81 C \nATOM 682 NH1 ARG A 44 23.835 -31.023 -13.060 1.00 -0.86 N \nATOM 683 NH2 ARG A 44 25.388 -31.833 -11.568 1.00 -0.86 N \nATOM 684 HA ARG A 44 20.833 -32.709 -15.040 1.00 0.16 H \nATOM 685 HB2 ARG A 44 19.061 -33.420 -12.658 1.00 0.03 H \nATOM 686 HB3 ARG A 44 20.030 -34.590 -13.617 1.00 0.03 H \nATOM 687 HG2 ARG A 44 21.124 -32.285 -11.939 1.00 0.03 H \nATOM 688 HG3 ARG A 44 21.152 -34.028 -11.508 1.00 0.03 H \nATOM 689 HD2 ARG A 44 22.538 -34.518 -13.461 1.00 0.07 H \nATOM 690 HD3 ARG A 44 22.461 -32.798 -13.972 1.00 0.07 H \nATOM 691 HE ARG A 44 24.051 -33.941 -11.724 1.00 0.35 H \nATOM 692 HH12 ARG A 44 24.316 -30.112 -13.062 1.00 0.45 H \nATOM 693 HH11 ARG A 44 22.995 -31.163 -13.639 1.00 0.45 H \nATOM 694 HH22 ARG A 44 25.867 -30.921 -11.571 1.00 0.45 H \nATOM 695 HH21 ARG A 44 25.752 -32.604 -10.989 1.00 0.45 H \nATOM 696 H ARG A 44 19.810 -31.017 -13.065 1.00 0.27 H \nATOM 697 N ILE A 45 17.517 -32.970 -14.926 1.00 -0.42 N \nATOM 698 CA ILE A 45 16.376 -33.431 -15.728 1.00 -0.06 C \nATOM 699 C ILE A 45 16.240 -32.646 -17.037 1.00 0.60 C \nATOM 700 O ILE A 45 15.839 -33.186 -18.063 1.00 -0.57 O \nATOM 701 CB ILE A 45 15.047 -33.406 -14.924 1.00 0.13 C \nATOM 702 CG1 ILE A 45 13.941 -34.173 -15.659 1.00 -0.04 C \nATOM 703 CG2 ILE A 45 14.621 -31.975 -14.606 1.00 -0.32 C \nATOM 704 CD1 ILE A 45 14.290 -35.641 -15.936 1.00 -0.07 C \nATOM 705 HA ILE A 45 16.574 -34.479 -15.996 1.00 0.09 H \nATOM 706 HB ILE A 45 15.227 -33.919 -13.968 1.00 0.02 H \nATOM 707 HG12 ILE A 45 13.029 -34.143 -15.044 1.00 0.02 H \nATOM 708 HG13 ILE A 45 13.752 -33.673 -16.621 1.00 0.02 H \nATOM 709 HD11 ILE A 45 14.482 -36.158 -14.984 1.00 0.02 H \nATOM 710 HD12 ILE A 45 13.450 -36.126 -16.454 1.00 0.02 H \nATOM 711 HD13 ILE A 45 15.189 -35.691 -16.569 1.00 0.02 H \nATOM 712 HG21 ILE A 45 14.484 -31.416 -15.544 1.00 0.09 H \nATOM 713 HG22 ILE A 45 13.674 -31.990 -14.047 1.00 0.09 H \nATOM 714 HG23 ILE A 45 15.398 -31.488 -13.999 1.00 0.09 H \nATOM 715 H ILE A 45 17.358 -32.558 -14.029 1.00 0.27 H \nATOM 716 N ARG A 46 16.581 -31.365 -16.998 1.00 -0.35 N \nATOM 717 CA ARG A 46 16.483 -30.540 -18.191 1.00 -0.26 C \nATOM 718 C ARG A 46 17.561 -30.924 -19.199 1.00 0.73 C \nATOM 719 O ARG A 46 17.296 -30.991 -20.393 1.00 -0.59 O \nATOM 720 CB ARG A 46 16.562 -29.048 -17.834 1.00 -0.00 C \nATOM 721 CG ARG A 46 16.371 -28.117 -19.028 1.00 0.04 C \nATOM 722 CD ARG A 46 16.104 -26.675 -18.593 1.00 0.05 C \nATOM 723 NE ARG A 46 17.176 -26.163 -17.749 1.00 -0.53 N \nATOM 724 CZ ARG A 46 18.266 -25.558 -18.205 1.00 0.81 C \nATOM 725 NH1 ARG A 46 18.434 -25.376 -19.509 1.00 -0.86 N \nATOM 726 NH2 ARG A 46 19.187 -25.128 -17.356 1.00 -0.86 N \nATOM 727 HA ARG A 46 15.503 -30.726 -18.654 1.00 0.16 H \nATOM 728 HB2 ARG A 46 15.779 -28.827 -17.093 1.00 0.03 H \nATOM 729 HB3 ARG A 46 17.550 -28.849 -17.394 1.00 0.03 H \nATOM 730 HG2 ARG A 46 17.281 -28.139 -19.645 1.00 0.03 H \nATOM 731 HG3 ARG A 46 15.517 -28.473 -19.623 1.00 0.03 H \nATOM 732 HD2 ARG A 46 16.021 -26.041 -19.488 1.00 0.07 H \nATOM 733 HD3 ARG A 46 15.159 -26.641 -18.031 1.00 0.07 H \nATOM 734 HE ARG A 46 17.082 -26.278 -16.730 1.00 0.35 H \nATOM 735 HH12 ARG A 46 19.281 -24.906 -19.858 1.00 0.45 H \nATOM 736 HH11 ARG A 46 17.717 -25.705 -20.171 1.00 0.45 H \nATOM 737 HH22 ARG A 46 20.033 -24.658 -17.708 1.00 0.45 H \nATOM 738 HH21 ARG A 46 19.057 -25.263 -16.343 1.00 0.45 H \nATOM 739 H ARG A 46 16.908 -30.964 -16.142 1.00 0.27 H \nATOM 740 N TYR A 47 18.780 -31.181 -18.727 1.00 -0.42 N \nATOM 741 CA TYR A 47 19.844 -31.601 -19.633 1.00 -0.00 C \nATOM 742 C TYR A 47 19.508 -32.968 -20.199 1.00 0.60 C \nATOM 743 O TYR A 47 19.650 -33.208 -21.394 1.00 -0.57 O \nATOM 744 CB TYR A 47 21.183 -31.668 -18.901 1.00 -0.02 C \nATOM 745 CG TYR A 47 22.351 -32.006 -19.799 1.00 -0.00 C \nATOM 746 CD1 TYR A 47 23.076 -31.001 -20.439 1.00 -0.19 C \nATOM 747 CD2 TYR A 47 22.734 -33.332 -20.010 1.00 -0.19 C \nATOM 748 CE1 TYR A 47 24.163 -31.308 -21.270 1.00 -0.23 C \nATOM 749 CE2 TYR A 47 23.809 -33.649 -20.843 1.00 -0.23 C \nATOM 750 CZ TYR A 47 24.520 -32.635 -21.463 1.00 0.32 C \nATOM 751 OH TYR A 47 25.587 -32.943 -22.282 1.00 -0.56 O \nATOM 752 HA TYR A 47 19.922 -30.876 -20.456 1.00 0.09 H \nATOM 753 HB3 TYR A 47 21.374 -30.689 -18.436 1.00 0.03 H \nATOM 754 HB2 TYR A 47 21.113 -32.438 -18.118 1.00 0.03 H \nATOM 755 HD2 TYR A 47 22.188 -34.129 -19.519 1.00 0.17 H \nATOM 756 HE2 TYR A 47 24.086 -34.685 -21.004 1.00 0.17 H \nATOM 757 HE1 TYR A 47 24.720 -30.516 -21.757 1.00 0.17 H \nATOM 758 HD1 TYR A 47 22.794 -29.965 -20.291 1.00 0.17 H \nATOM 759 HH TYR A 47 25.964 -32.142 -22.626 1.00 0.40 H \nATOM 760 H TYR A 47 18.966 -31.086 -17.749 1.00 0.27 H \nATOM 761 N LYS A 48 19.050 -33.862 -19.330 1.00 -0.35 N \nATOM 762 CA LYS A 48 18.630 -35.185 -19.759 1.00 -0.24 C \nATOM 763 C LYS A 48 17.563 -35.046 -20.840 1.00 0.73 C \nATOM 764 O LYS A 48 17.599 -35.746 -21.853 1.00 -0.59 O \nATOM 765 CB LYS A 48 18.076 -35.971 -18.572 1.00 -0.01 C \nATOM 766 CG LYS A 48 17.900 -37.467 -18.824 1.00 0.02 C \nATOM 767 CD LYS A 48 16.986 -38.084 -17.771 1.00 -0.05 C \nATOM 768 CE LYS A 48 17.564 -39.362 -17.191 1.00 -0.01 C \nATOM 769 NZ LYS A 48 18.955 -39.166 -16.686 1.00 -0.39 N \nATOM 770 HA LYS A 48 19.496 -35.723 -20.172 1.00 0.14 H \nATOM 771 HB2 LYS A 48 18.767 -35.845 -17.725 1.00 0.04 H \nATOM 772 HB3 LYS A 48 17.094 -35.550 -18.310 1.00 0.04 H \nATOM 773 HG2 LYS A 48 17.457 -37.616 -19.820 1.00 0.01 H \nATOM 774 HG3 LYS A 48 18.883 -37.959 -18.783 1.00 0.01 H \nATOM 775 HD2 LYS A 48 16.842 -37.358 -16.957 1.00 0.06 H \nATOM 776 HD3 LYS A 48 16.015 -38.312 -18.234 1.00 0.06 H \nATOM 777 HE2 LYS A 48 16.927 -39.694 -16.358 1.00 0.11 H \nATOM 778 HE3 LYS A 48 17.576 -40.134 -17.974 1.00 0.11 H \nATOM 779 HZ1 LYS A 48 18.956 -38.457 -15.969 1.00 0.34 H \nATOM 780 HZ2 LYS A 48 19.298 -40.032 -16.302 1.00 0.34 H \nATOM 781 HZ3 LYS A 48 19.551 -38.876 -17.446 1.00 0.34 H \nATOM 782 H LYS A 48 18.993 -33.620 -18.361 1.00 0.27 H \nATOM 783 N SER A 49 16.623 -34.127 -20.627 1.00 -0.42 N \nATOM 784 CA SER A 49 15.488 -33.974 -21.538 1.00 -0.02 C \nATOM 785 C SER A 49 15.911 -33.534 -22.937 1.00 0.60 C \nATOM 786 O SER A 49 15.121 -33.616 -23.879 1.00 -0.57 O \nATOM 787 CB SER A 49 14.464 -32.982 -20.973 1.00 0.21 C \nATOM 788 OG SER A 49 14.931 -31.646 -21.104 1.00 -0.65 O \nATOM 789 HA SER A 49 15.000 -34.956 -21.628 1.00 0.08 H \nATOM 790 HB2 SER A 49 13.517 -33.089 -21.523 1.00 0.04 H \nATOM 791 HB3 SER A 49 14.297 -33.203 -19.908 1.00 0.04 H \nATOM 792 HG SER A 49 14.284 -31.048 -20.749 1.00 0.43 H \nATOM 793 H SER A 49 16.694 -33.529 -19.828 1.00 0.27 H \nATOM 794 N LEU A 50 17.148 -33.058 -23.077 1.00 -0.42 N \nATOM 795 CA LEU A 50 17.644 -32.632 -24.386 1.00 -0.05 C \nATOM 796 C LEU A 50 17.596 -33.756 -25.421 1.00 0.60 C \nATOM 797 O LEU A 50 17.334 -33.516 -26.606 1.00 -0.57 O \nATOM 798 CB LEU A 50 19.070 -32.084 -24.287 1.00 -0.11 C \nATOM 799 CG LEU A 50 19.277 -30.755 -23.563 1.00 0.35 C \nATOM 800 CD1 LEU A 50 20.763 -30.387 -23.542 1.00 -0.41 C \nATOM 801 CD2 LEU A 50 18.459 -29.653 -24.217 1.00 -0.41 C \nATOM 802 HA LEU A 50 16.991 -31.821 -24.740 1.00 0.09 H \nATOM 803 HB2 LEU A 50 19.676 -32.839 -23.765 1.00 0.05 H \nATOM 804 HB3 LEU A 50 19.445 -31.959 -25.314 1.00 0.05 H \nATOM 805 HG LEU A 50 18.934 -30.869 -22.524 1.00 -0.04 H \nATOM 806 HD21 LEU A 50 17.393 -29.921 -24.187 1.00 0.10 H \nATOM 807 HD22 LEU A 50 18.615 -28.709 -23.674 1.00 0.10 H \nATOM 808 HD23 LEU A 50 18.778 -29.531 -25.263 1.00 0.10 H \nATOM 809 HD11 LEU A 50 21.135 -30.305 -24.574 1.00 0.10 H \nATOM 810 HD12 LEU A 50 20.895 -29.424 -23.027 1.00 0.10 H \nATOM 811 HD13 LEU A 50 21.327 -31.168 -23.010 1.00 0.10 H \nATOM 812 H LEU A 50 17.745 -32.991 -22.277 1.00 0.27 H \nATOM 813 N SER A 51 17.862 -34.982 -24.980 1.00 -0.42 N \nATOM 814 CA SER A 51 17.896 -36.117 -25.902 1.00 -0.02 C \nATOM 815 C SER A 51 16.847 -37.164 -25.536 1.00 0.60 C \nATOM 816 O SER A 51 16.770 -38.231 -26.148 1.00 -0.57 O \nATOM 817 CB SER A 51 19.288 -36.752 -25.942 1.00 0.21 C \nATOM 818 OG SER A 51 20.171 -35.982 -26.737 1.00 -0.65 O \nATOM 819 HA SER A 51 17.664 -35.740 -26.909 1.00 0.08 H \nATOM 820 HB2 SER A 51 19.686 -36.813 -24.918 1.00 0.04 H \nATOM 821 HB3 SER A 51 19.210 -37.764 -26.367 1.00 0.04 H \nATOM 822 HG SER A 51 21.027 -36.393 -26.748 1.00 0.43 H \nATOM 823 H SER A 51 18.041 -35.130 -24.007 1.00 0.27 H \nATOM 824 N ASP A 52 16.040 -36.843 -24.537 1.00 -0.52 N \nATOM 825 CA ASP A 52 14.985 -37.724 -24.094 1.00 0.04 C \nATOM 826 C ASP A 52 13.865 -36.829 -23.567 1.00 0.54 C \nATOM 827 O ASP A 52 13.659 -36.730 -22.354 1.00 -0.58 O \nATOM 828 CB ASP A 52 15.535 -38.643 -23.000 1.00 -0.03 C \nATOM 829 CG ASP A 52 14.640 -39.837 -22.720 1.00 0.80 C \nATOM 830 OD1 ASP A 52 13.471 -39.839 -23.167 1.00 -0.80 O \nATOM 831 OD2 ASP A 52 15.121 -40.770 -22.036 1.00 -0.80 O \nATOM 832 HA ASP A 52 14.615 -38.333 -24.932 1.00 0.09 H \nATOM 833 HB2 ASP A 52 16.522 -39.012 -23.316 1.00 -0.01 H \nATOM 834 HB3 ASP A 52 15.641 -38.060 -22.073 1.00 -0.01 H \nATOM 835 H ASP A 52 16.165 -35.965 -24.076 1.00 0.29 H \nATOM 836 N PRO A 53 13.152 -36.149 -24.481 1.00 -0.25 N \nATOM 837 CA PRO A 53 12.135 -35.149 -24.112 1.00 -0.03 C \nATOM 838 C PRO A 53 10.983 -35.700 -23.271 1.00 0.59 C \nATOM 839 O PRO A 53 10.427 -34.976 -22.440 1.00 -0.57 O \nATOM 840 CB PRO A 53 11.621 -34.641 -25.470 1.00 -0.01 C \nATOM 841 CG PRO A 53 12.027 -35.681 -26.456 1.00 0.02 C \nATOM 842 CD PRO A 53 13.314 -36.250 -25.940 1.00 0.02 C \nATOM 843 HA PRO A 53 12.609 -34.330 -23.551 1.00 0.06 H \nATOM 844 HD3 PRO A 53 14.175 -35.659 -26.285 1.00 0.04 H \nATOM 845 HD2 PRO A 53 13.438 -37.297 -26.254 1.00 0.04 H \nATOM 846 HG3 PRO A 53 12.177 -35.231 -27.448 1.00 0.02 H \nATOM 847 HG2 PRO A 53 11.260 -36.467 -26.522 1.00 0.02 H \nATOM 848 HB2 PRO A 53 10.526 -34.533 -25.452 1.00 0.03 H \nATOM 849 HB3 PRO A 53 12.081 -33.673 -25.719 1.00 0.03 H \nATOM 850 N LYS A 54 10.636 -36.964 -23.474 1.00 -0.35 N \nATOM 851 CA LYS A 54 9.528 -37.574 -22.749 1.00 -0.24 C \nATOM 852 C LYS A 54 9.734 -37.562 -21.236 1.00 0.73 C \nATOM 853 O LYS A 54 8.779 -37.713 -20.475 1.00 -0.59 O \nATOM 854 CB LYS A 54 9.310 -39.009 -23.228 1.00 -0.01 C \nATOM 855 CG LYS A 54 8.949 -39.115 -24.696 1.00 0.02 C \nATOM 856 HA LYS A 54 8.621 -36.993 -22.971 1.00 0.14 H \nATOM 857 HB2 LYS A 54 10.237 -39.576 -23.057 1.00 0.04 H \nATOM 858 HB3 LYS A 54 8.494 -39.452 -22.637 1.00 0.04 H \nATOM 859 HG2 LYS A 54 9.750 -38.668 -25.304 1.00 0.01 H \nATOM 860 HG3 LYS A 54 8.830 -40.174 -24.969 1.00 0.01 H \nATOM 861 H LYS A 54 11.145 -37.510 -24.139 1.00 0.27 H \nATOM 862 N GLN A 55 10.980 -37.391 -20.800 1.00 -0.42 N \nATOM 863 CA GLN A 55 11.294 -37.433 -19.374 1.00 -0.00 C \nATOM 864 C GLN A 55 10.539 -36.349 -18.610 1.00 0.60 C \nATOM 865 O GLN A 55 10.294 -36.478 -17.410 1.00 -0.57 O \nATOM 866 CB GLN A 55 12.801 -37.270 -19.140 1.00 -0.00 C \nATOM 867 CG GLN A 55 13.652 -38.403 -19.695 1.00 -0.06 C \nATOM 868 CD GLN A 55 13.646 -39.646 -18.812 1.00 0.70 C \nATOM 869 OE1 GLN A 55 13.272 -39.597 -17.636 1.00 -0.61 O \nATOM 870 NE2 GLN A 55 14.074 -40.770 -19.380 1.00 -0.94 N \nATOM 871 HA GLN A 55 10.984 -38.414 -18.983 1.00 0.09 H \nATOM 872 HB2 GLN A 55 13.123 -36.333 -19.617 1.00 0.02 H \nATOM 873 HB3 GLN A 55 12.976 -37.209 -18.056 1.00 0.02 H \nATOM 874 HG2 GLN A 55 13.265 -38.677 -20.688 1.00 0.04 H \nATOM 875 HG3 GLN A 55 14.688 -38.047 -19.791 1.00 0.04 H \nATOM 876 HE22 GLN A 55 14.094 -41.620 -18.854 1.00 0.43 H \nATOM 877 HE21 GLN A 55 14.375 -40.765 -20.334 1.00 0.43 H \nATOM 878 H GLN A 55 11.714 -37.231 -21.460 1.00 0.27 H \nATOM 879 N LEU A 56 10.180 -35.276 -19.305 1.00 -0.42 N \nATOM 880 CA LEU A 56 9.541 -34.136 -18.659 1.00 -0.05 C \nATOM 881 C LEU A 56 8.044 -34.355 -18.406 1.00 0.60 C \nATOM 882 O LEU A 56 7.436 -33.643 -17.610 1.00 -0.57 O \nATOM 883 CB LEU A 56 9.740 -32.869 -19.499 1.00 -0.11 C \nATOM 884 CG LEU A 56 11.143 -32.267 -19.563 1.00 0.35 C \nATOM 885 CD1 LEU A 56 11.140 -31.029 -20.453 1.00 -0.41 C \nATOM 886 CD2 LEU A 56 11.638 -31.922 -18.166 1.00 -0.41 C \nATOM 887 HA LEU A 56 10.029 -33.986 -17.685 1.00 0.09 H \nATOM 888 HB2 LEU A 56 9.439 -33.108 -20.530 1.00 0.05 H \nATOM 889 HB3 LEU A 56 9.071 -32.097 -19.091 1.00 0.05 H \nATOM 890 HG LEU A 56 11.825 -33.011 -20.001 1.00 -0.04 H \nATOM 891 HD21 LEU A 56 11.658 -32.832 -17.549 1.00 0.10 H \nATOM 892 HD22 LEU A 56 12.652 -31.500 -18.230 1.00 0.10 H \nATOM 893 HD23 LEU A 56 10.962 -31.184 -17.709 1.00 0.10 H \nATOM 894 HD11 LEU A 56 10.437 -30.287 -20.047 1.00 0.10 H \nATOM 895 HD12 LEU A 56 12.151 -30.597 -20.484 1.00 0.10 H \nATOM 896 HD13 LEU A 56 10.829 -31.310 -21.470 1.00 0.10 H \nATOM 897 H LEU A 56 10.351 -35.249 -20.290 1.00 0.27 H \nATOM 898 N GLU A 57 7.457 -35.337 -19.085 1.00 -0.52 N \nATOM 899 CA GLU A 57 6.000 -35.500 -19.096 1.00 0.04 C \nATOM 900 C GLU A 57 5.403 -35.873 -17.746 1.00 0.54 C \nATOM 901 O GLU A 57 4.199 -35.711 -17.526 1.00 -0.58 O \nATOM 902 CB GLU A 57 5.578 -36.513 -20.165 1.00 0.06 C \nATOM 903 CG GLU A 57 6.042 -36.139 -21.565 1.00 0.01 C \nATOM 904 CD GLU A 57 5.366 -36.949 -22.666 1.00 0.81 C \nATOM 905 OE1 GLU A 57 4.485 -37.786 -22.359 1.00 -0.82 O \nATOM 906 OE2 GLU A 57 5.710 -36.732 -23.847 1.00 -0.82 O \nATOM 907 HA GLU A 57 5.573 -34.525 -19.375 1.00 0.11 H \nATOM 908 HB2 GLU A 57 6.005 -37.493 -19.906 1.00 -0.02 H \nATOM 909 HB3 GLU A 57 4.480 -36.581 -20.168 1.00 -0.02 H \nATOM 910 HG2 GLU A 57 5.823 -35.074 -21.732 1.00 -0.04 H \nATOM 911 HG3 GLU A 57 7.128 -36.304 -21.628 1.00 -0.04 H \nATOM 912 H GLU A 57 8.024 -35.980 -19.601 1.00 0.29 H \nATOM 913 N THR A 58 6.235 -36.375 -16.841 1.00 -0.42 N \nATOM 914 CA THR A 58 5.778 -36.711 -15.489 1.00 -0.04 C \nATOM 915 C THR A 58 5.574 -35.459 -14.634 1.00 0.60 C \nATOM 916 O THR A 58 4.952 -35.514 -13.564 1.00 -0.57 O \nATOM 917 CB THR A 58 6.768 -37.653 -14.788 1.00 0.37 C \nATOM 918 OG1 THR A 58 8.100 -37.161 -14.981 1.00 -0.68 O \nATOM 919 CG2 THR A 58 6.673 -39.058 -15.372 1.00 -0.24 C \nATOM 920 HA THR A 58 4.811 -37.228 -15.578 1.00 0.10 H \nATOM 921 HB THR A 58 6.538 -37.688 -13.713 1.00 0.00 H \nATOM 922 HG1 THR A 58 8.717 -37.740 -14.549 1.00 0.41 H \nATOM 923 HG23 THR A 58 6.042 -39.683 -14.723 1.00 0.06 H \nATOM 924 HG21 THR A 58 6.229 -39.008 -16.377 1.00 0.06 H \nATOM 925 HG22 THR A 58 7.680 -39.497 -15.437 1.00 0.06 H \nATOM 926 H THR A 58 7.192 -36.527 -17.087 1.00 0.27 H \nATOM 927 N GLU A 59 6.113 -34.339 -15.102 1.00 -0.52 N \nATOM 928 CA GLU A 59 5.927 -33.041 -14.446 1.00 0.04 C \nATOM 929 C GLU A 59 6.539 -31.940 -15.310 1.00 0.54 C \nATOM 930 O GLU A 59 7.691 -31.563 -15.133 1.00 -0.58 O \nATOM 931 CB GLU A 59 6.532 -33.034 -13.043 1.00 0.06 C \nATOM 932 CG GLU A 59 6.483 -31.684 -12.360 1.00 0.01 C \nATOM 933 CD GLU A 59 5.090 -31.089 -12.341 1.00 0.81 C \nATOM 934 OE1 GLU A 59 4.739 -30.356 -13.299 1.00 -0.82 O \nATOM 935 OE2 GLU A 59 4.354 -31.345 -11.364 1.00 -0.82 O \nATOM 936 HA GLU A 59 4.848 -32.851 -14.353 1.00 0.11 H \nATOM 937 HB2 GLU A 59 5.979 -33.756 -12.424 1.00 -0.02 H \nATOM 938 HB3 GLU A 59 7.584 -33.346 -13.118 1.00 -0.02 H \nATOM 939 HG2 GLU A 59 6.830 -31.802 -11.323 1.00 -0.04 H \nATOM 940 HG3 GLU A 59 7.153 -30.995 -12.895 1.00 -0.04 H \nATOM 941 H GLU A 59 6.667 -34.383 -15.934 1.00 0.29 H \nATOM 942 N PRO A 60 5.751 -31.424 -16.255 1.00 -0.25 N \nATOM 943 CA PRO A 60 6.218 -30.523 -17.309 1.00 -0.03 C \nATOM 944 C PRO A 60 6.768 -29.210 -16.755 1.00 0.59 C \nATOM 945 O PRO A 60 7.608 -28.585 -17.402 1.00 -0.57 O \nATOM 946 CB PRO A 60 4.946 -30.255 -18.135 1.00 -0.01 C \nATOM 947 CG PRO A 60 3.963 -31.296 -17.713 1.00 0.02 C \nATOM 948 CD PRO A 60 4.290 -31.602 -16.288 1.00 0.02 C \nATOM 949 HA PRO A 60 6.991 -31.011 -17.920 1.00 0.06 H \nATOM 950 HD3 PRO A 60 4.008 -32.633 -16.027 1.00 0.04 H \nATOM 951 HD2 PRO A 60 3.788 -30.901 -15.605 1.00 0.04 H \nATOM 952 HG3 PRO A 60 4.069 -32.198 -18.334 1.00 0.02 H \nATOM 953 HG2 PRO A 60 2.936 -30.911 -17.797 1.00 0.02 H \nATOM 954 HB2 PRO A 60 4.555 -29.249 -17.921 1.00 0.03 H \nATOM 955 HB3 PRO A 60 5.161 -30.344 -19.210 1.00 0.03 H \nATOM 956 N ASP A 61 6.318 -28.809 -15.570 1.00 -0.52 N \nATOM 957 CA ASP A 61 6.761 -27.539 -14.986 1.00 0.04 C \nATOM 958 C ASP A 61 8.014 -27.686 -14.118 1.00 0.54 C \nATOM 959 O ASP A 61 8.099 -28.568 -13.256 1.00 -0.58 O \nATOM 960 CB ASP A 61 5.625 -26.873 -14.199 1.00 -0.03 C \nATOM 961 CG ASP A 61 4.443 -26.498 -15.085 1.00 0.80 C \nATOM 962 OD1 ASP A 61 4.639 -26.250 -16.296 1.00 -0.80 O \nATOM 963 OD2 ASP A 61 3.312 -26.455 -14.571 1.00 -0.80 O \nATOM 964 HA ASP A 61 7.022 -26.872 -15.821 1.00 0.09 H \nATOM 965 HB2 ASP A 61 5.277 -27.571 -13.423 1.00 -0.01 H \nATOM 966 HB3 ASP A 61 6.013 -25.960 -13.724 1.00 -0.01 H \nATOM 967 H ASP A 61 5.668 -29.382 -15.070 1.00 0.29 H \nATOM 968 N LEU A 62 8.988 -26.815 -14.364 1.00 -0.42 N \nATOM 969 CA LEU A 62 10.249 -26.835 -13.632 1.00 -0.05 C \nATOM 970 C LEU A 62 10.235 -25.739 -12.575 1.00 0.60 C \nATOM 971 O LEU A 62 10.110 -24.556 -12.896 1.00 -0.57 O \nATOM 972 CB LEU A 62 11.418 -26.657 -14.604 1.00 -0.11 C \nATOM 973 CG LEU A 62 11.461 -27.692 -15.726 1.00 0.35 C \nATOM 974 CD1 LEU A 62 12.559 -27.367 -16.739 1.00 -0.41 C \nATOM 975 CD2 LEU A 62 11.642 -29.104 -15.141 1.00 -0.41 C \nATOM 976 HA LEU A 62 10.356 -27.808 -13.130 1.00 0.09 H \nATOM 977 HB2 LEU A 62 11.340 -25.658 -15.058 1.00 0.05 H \nATOM 978 HB3 LEU A 62 12.356 -26.728 -14.033 1.00 0.05 H \nATOM 979 HG LEU A 62 10.496 -27.663 -16.254 1.00 -0.04 H \nATOM 980 HD21 LEU A 62 10.806 -29.330 -14.463 1.00 0.10 H \nATOM 981 HD22 LEU A 62 11.661 -29.840 -15.958 1.00 0.10 H \nATOM 982 HD23 LEU A 62 12.589 -29.151 -14.583 1.00 0.10 H \nATOM 983 HD11 LEU A 62 13.534 -27.349 -16.230 1.00 0.10 H \nATOM 984 HD12 LEU A 62 12.570 -28.135 -17.527 1.00 0.10 H \nATOM 985 HD13 LEU A 62 12.363 -26.383 -17.189 1.00 0.10 H \nATOM 986 H LEU A 62 8.851 -26.124 -15.074 1.00 0.27 H \nATOM 987 N PHE A 63 10.342 -26.117 -11.305 1.00 -0.42 N \nATOM 988 CA PHE A 63 10.164 -25.121 -10.247 1.00 -0.00 C \nATOM 989 C PHE A 63 10.757 -25.565 -8.932 1.00 0.60 C \nATOM 990 O PHE A 63 10.979 -26.755 -8.699 1.00 -0.57 O \nATOM 991 CB PHE A 63 8.658 -24.846 -10.021 1.00 -0.03 C \nATOM 992 CG PHE A 63 7.889 -26.065 -9.535 1.00 0.01 C \nATOM 993 CD1 PHE A 63 7.851 -26.387 -8.180 1.00 -0.13 C \nATOM 994 CD2 PHE A 63 7.206 -26.879 -10.433 1.00 -0.13 C \nATOM 995 CE1 PHE A 63 7.142 -27.506 -7.726 1.00 -0.17 C \nATOM 996 CE2 PHE A 63 6.499 -27.999 -10.003 1.00 -0.17 C \nATOM 997 CZ PHE A 63 6.469 -28.322 -8.645 1.00 -0.11 C \nATOM 998 HA PHE A 63 10.659 -24.190 -10.562 1.00 0.10 H \nATOM 999 HB2 PHE A 63 8.558 -24.048 -9.270 1.00 0.03 H \nATOM 1000 HB3 PHE A 63 8.218 -24.512 -10.972 1.00 0.03 H \nATOM 1001 HD2 PHE A 63 7.225 -26.636 -11.489 1.00 0.13 H \nATOM 1002 HE2 PHE A 63 5.973 -28.618 -10.721 1.00 0.14 H \nATOM 1003 HZ PHE A 63 5.929 -29.198 -8.304 1.00 0.13 H \nATOM 1004 HE1 PHE A 63 7.114 -27.740 -6.668 1.00 0.14 H \nATOM 1005 HD1 PHE A 63 8.378 -25.763 -7.467 1.00 0.13 H \nATOM 1006 H PHE A 63 10.542 -27.070 -11.075 1.00 0.27 H \nATOM 1007 N ILE A 64 10.976 -24.584 -8.070 1.00 -0.42 N \nATOM 1008 CA ILE A 64 11.389 -24.811 -6.695 1.00 -0.06 C \nATOM 1009 C ILE A 64 10.269 -24.209 -5.850 1.00 0.60 C \nATOM 1010 O ILE A 64 9.836 -23.091 -6.087 1.00 -0.57 O \nATOM 1011 CB ILE A 64 12.756 -24.126 -6.406 1.00 0.13 C \nATOM 1012 CG1 ILE A 64 13.800 -24.607 -7.406 1.00 -0.04 C \nATOM 1013 CG2 ILE A 64 13.236 -24.352 -4.960 1.00 -0.32 C \nATOM 1014 CD1 ILE A 64 15.207 -24.022 -7.202 1.00 -0.07 C \nATOM 1015 HA ILE A 64 11.479 -25.889 -6.495 1.00 0.09 H \nATOM 1016 HB ILE A 64 12.624 -23.043 -6.546 1.00 0.02 H \nATOM 1017 HG12 ILE A 64 13.870 -25.702 -7.327 1.00 0.02 H \nATOM 1018 HG13 ILE A 64 13.459 -24.333 -8.415 1.00 0.02 H \nATOM 1019 HD11 ILE A 64 15.572 -24.287 -6.199 1.00 0.02 H \nATOM 1020 HD12 ILE A 64 15.889 -24.434 -7.961 1.00 0.02 H \nATOM 1021 HD13 ILE A 64 15.167 -22.927 -7.301 1.00 0.02 H \nATOM 1022 HG21 ILE A 64 13.343 -25.431 -4.773 1.00 0.09 H \nATOM 1023 HG22 ILE A 64 14.207 -23.857 -4.814 1.00 0.09 H \nATOM 1024 HG23 ILE A 64 12.501 -23.930 -4.259 1.00 0.09 H \nATOM 1025 H ILE A 64 10.851 -23.641 -8.380 1.00 0.27 H \nATOM 1026 N ARG A 65 9.780 -24.957 -4.879 1.00 -0.35 N \nATOM 1027 CA ARG A 65 8.641 -24.499 -4.086 1.00 -0.26 C \nATOM 1028 C ARG A 65 8.889 -24.688 -2.606 1.00 0.73 C \nATOM 1029 O ARG A 65 9.183 -25.779 -2.152 1.00 -0.59 O \nATOM 1030 CB ARG A 65 7.351 -25.204 -4.515 1.00 -0.00 C \nATOM 1031 CG ARG A 65 6.092 -24.786 -3.717 1.00 0.04 C \nATOM 1032 CD ARG A 65 4.821 -25.457 -4.283 1.00 0.05 C \nATOM 1033 NE ARG A 65 4.714 -25.293 -5.733 1.00 -0.53 N \nATOM 1034 CZ ARG A 65 4.100 -26.153 -6.542 1.00 0.81 C \nATOM 1035 NH1 ARG A 65 3.535 -27.246 -6.053 1.00 -0.86 N \nATOM 1036 NH2 ARG A 65 4.058 -25.923 -7.844 1.00 -0.86 N \nATOM 1037 HA ARG A 65 8.515 -23.422 -4.271 1.00 0.16 H \nATOM 1038 HB2 ARG A 65 7.174 -24.979 -5.577 1.00 0.03 H \nATOM 1039 HB3 ARG A 65 7.494 -26.287 -4.388 1.00 0.03 H \nATOM 1040 HG2 ARG A 65 6.218 -25.086 -2.666 1.00 0.03 H \nATOM 1041 HG3 ARG A 65 5.977 -23.694 -3.775 1.00 0.03 H \nATOM 1042 HD2 ARG A 65 4.852 -26.531 -4.048 1.00 0.07 H \nATOM 1043 HD3 ARG A 65 3.938 -25.003 -3.808 1.00 0.07 H \nATOM 1044 HE ARG A 65 5.142 -24.457 -6.155 1.00 0.35 H \nATOM 1045 HH12 ARG A 65 3.061 -27.908 -6.685 1.00 0.45 H \nATOM 1046 HH11 ARG A 65 3.569 -27.435 -5.041 1.00 0.45 H \nATOM 1047 HH22 ARG A 65 3.583 -26.589 -8.470 1.00 0.45 H \nATOM 1048 HH21 ARG A 65 4.501 -25.078 -8.232 1.00 0.45 H \nATOM 1049 H ARG A 65 10.193 -25.847 -4.684 1.00 0.27 H \nATOM 1050 N ILE A 66 8.753 -23.608 -1.855 1.00 -0.42 N \nATOM 1051 CA ILE A 66 8.954 -23.649 -0.415 1.00 -0.06 C \nATOM 1052 C ILE A 66 7.610 -23.500 0.335 1.00 0.60 C \nATOM 1053 O ILE A 66 6.894 -22.545 0.098 1.00 -0.57 O \nATOM 1054 CB ILE A 66 9.916 -22.521 -0.031 1.00 0.13 C \nATOM 1055 CG1 ILE A 66 11.256 -22.727 -0.770 1.00 -0.04 C \nATOM 1056 CG2 ILE A 66 10.112 -22.442 1.469 1.00 -0.32 C \nATOM 1057 CD1 ILE A 66 12.179 -21.536 -0.696 1.00 -0.07 C \nATOM 1058 HA ILE A 66 9.403 -24.615 -0.142 1.00 0.09 H \nATOM 1059 HB ILE A 66 9.481 -21.567 -0.364 1.00 0.02 H \nATOM 1060 HG12 ILE A 66 11.769 -23.592 -0.324 1.00 0.02 H \nATOM 1061 HG13 ILE A 66 11.040 -22.934 -1.829 1.00 0.02 H \nATOM 1062 HD11 ILE A 66 12.407 -21.314 0.357 1.00 0.02 H \nATOM 1063 HD12 ILE A 66 13.112 -21.761 -1.234 1.00 0.02 H \nATOM 1064 HD13 ILE A 66 11.691 -20.665 -1.157 1.00 0.02 H \nATOM 1065 HG21 ILE A 66 10.518 -23.396 1.837 1.00 0.09 H \nATOM 1066 HG22 ILE A 66 10.815 -21.629 1.705 1.00 0.09 H \nATOM 1067 HG23 ILE A 66 9.145 -22.243 1.955 1.00 0.09 H \nATOM 1068 H ILE A 66 8.506 -22.741 -2.288 1.00 0.27 H \nATOM 1069 N THR A 67 7.299 -24.440 1.239 1.00 -0.42 N \nATOM 1070 CA THR A 67 6.014 -24.470 1.960 1.00 -0.04 C \nATOM 1071 C THR A 67 6.224 -24.627 3.464 1.00 0.60 C \nATOM 1072 O THR A 67 6.499 -25.726 3.947 1.00 -0.57 O \nATOM 1073 CB THR A 67 5.136 -25.669 1.490 1.00 0.37 C \nATOM 1074 OG1 THR A 67 5.066 -25.695 0.058 1.00 -0.68 O \nATOM 1075 CG2 THR A 67 3.680 -25.624 2.091 1.00 -0.24 C \nATOM 1076 HA THR A 67 5.481 -23.528 1.764 1.00 0.10 H \nATOM 1077 HB THR A 67 5.617 -26.597 1.833 1.00 0.00 H \nATOM 1078 HG1 THR A 67 4.529 -26.428 -0.220 1.00 0.41 H \nATOM 1079 HG23 THR A 67 3.623 -26.292 2.963 1.00 0.06 H \nATOM 1080 HG21 THR A 67 3.443 -24.595 2.400 1.00 0.06 H \nATOM 1081 HG22 THR A 67 2.958 -25.953 1.329 1.00 0.06 H \nATOM 1082 H THR A 67 7.971 -25.155 1.433 1.00 0.27 H \nATOM 1083 N PRO A 68 6.089 -23.531 4.220 1.00 -0.25 N \nATOM 1084 CA PRO A 68 6.081 -23.635 5.686 1.00 -0.03 C \nATOM 1085 C PRO A 68 4.784 -24.315 6.137 1.00 0.59 C \nATOM 1086 O PRO A 68 3.724 -24.009 5.579 1.00 -0.57 O \nATOM 1087 CB PRO A 68 6.094 -22.167 6.155 1.00 -0.01 C \nATOM 1088 CG PRO A 68 6.350 -21.342 4.942 1.00 0.02 C \nATOM 1089 CD PRO A 68 5.972 -22.145 3.742 1.00 0.02 C \nATOM 1090 HA PRO A 68 6.956 -24.187 6.060 1.00 0.06 H \nATOM 1091 HD3 PRO A 68 6.662 -21.956 2.906 1.00 0.04 H \nATOM 1092 HD2 PRO A 68 4.942 -21.922 3.425 1.00 0.04 H \nATOM 1093 HG3 PRO A 68 7.416 -21.076 4.891 1.00 0.02 H \nATOM 1094 HG2 PRO A 68 5.745 -20.424 4.982 1.00 0.02 H \nATOM 1095 HB2 PRO A 68 5.123 -21.900 6.599 1.00 0.03 H \nATOM 1096 HB3 PRO A 68 6.891 -22.011 6.897 1.00 0.03 H \nATOM 1097 N LYS A 69 4.870 -25.250 7.086 1.00 -0.35 N \nATOM 1098 CA LYS A 69 3.681 -25.869 7.680 1.00 -0.24 C \nATOM 1099 C LYS A 69 3.731 -25.670 9.182 1.00 0.73 C \nATOM 1100 O LYS A 69 4.011 -26.612 9.928 1.00 -0.59 O \nATOM 1101 CB LYS A 69 3.614 -27.367 7.368 1.00 -0.01 C \nATOM 1102 CG LYS A 69 3.428 -27.682 5.904 1.00 0.02 C \nATOM 1103 CD LYS A 69 3.356 -29.197 5.664 1.00 -0.05 C \nATOM 1104 CE LYS A 69 3.192 -29.502 4.196 1.00 -0.01 C \nATOM 1105 NZ LYS A 69 3.098 -30.990 3.956 1.00 -0.39 N \nATOM 1106 HA LYS A 69 2.782 -25.381 7.276 1.00 0.14 H \nATOM 1107 HB2 LYS A 69 4.552 -27.833 7.706 1.00 0.04 H \nATOM 1108 HB3 LYS A 69 2.769 -27.799 7.925 1.00 0.04 H \nATOM 1109 HG2 LYS A 69 2.494 -27.219 5.554 1.00 0.01 H \nATOM 1110 HG3 LYS A 69 4.276 -27.270 5.338 1.00 0.01 H \nATOM 1111 HD2 LYS A 69 4.283 -29.664 6.027 1.00 0.06 H \nATOM 1112 HD3 LYS A 69 2.498 -29.609 6.215 1.00 0.06 H \nATOM 1113 HE2 LYS A 69 2.273 -29.020 3.830 1.00 0.11 H \nATOM 1114 HE3 LYS A 69 4.058 -29.104 3.648 1.00 0.11 H \nATOM 1115 HZ1 LYS A 69 2.309 -31.363 4.460 1.00 0.34 H \nATOM 1116 HZ2 LYS A 69 2.980 -31.165 2.970 1.00 0.34 H \nATOM 1117 HZ3 LYS A 69 3.943 -31.436 4.277 1.00 0.34 H \nATOM 1118 H LYS A 69 5.774 -25.537 7.402 1.00 0.27 H \nATOM 1119 N PRO A 70 3.457 -24.437 9.622 1.00 -0.25 N \nATOM 1120 CA PRO A 70 3.592 -23.964 11.002 1.00 -0.03 C \nATOM 1121 C PRO A 70 3.029 -24.911 12.050 1.00 0.59 C \nATOM 1122 O PRO A 70 3.678 -25.106 13.073 1.00 -0.57 O \nATOM 1123 CB PRO A 70 2.805 -22.652 10.991 1.00 -0.01 C \nATOM 1124 CG PRO A 70 2.984 -22.146 9.597 1.00 0.02 C \nATOM 1125 CD PRO A 70 2.934 -23.381 8.732 1.00 0.02 C \nATOM 1126 HA PRO A 70 4.652 -23.780 11.233 1.00 0.06 H \nATOM 1127 HD3 PRO A 70 3.569 -23.265 7.842 1.00 0.04 H \nATOM 1128 HD2 PRO A 70 1.903 -23.603 8.420 1.00 0.04 H \nATOM 1129 HG3 PRO A 70 3.953 -21.637 9.491 1.00 0.02 H \nATOM 1130 HG2 PRO A 70 2.174 -21.452 9.329 1.00 0.02 H \nATOM 1131 HB2 PRO A 70 1.742 -22.830 11.211 1.00 0.03 H \nATOM 1132 HB3 PRO A 70 3.217 -21.941 11.723 1.00 0.03 H \nATOM 1133 N GLU A 71 1.853 -25.484 11.814 1.00 -0.52 N \nATOM 1134 CA GLU A 71 1.262 -26.382 12.805 1.00 0.04 C \nATOM 1135 C GLU A 71 2.181 -27.555 13.150 1.00 0.54 C \nATOM 1136 O GLU A 71 2.290 -27.931 14.314 1.00 -0.58 O \nATOM 1137 CB GLU A 71 -0.118 -26.905 12.374 1.00 0.06 C \nATOM 1138 CG GLU A 71 -0.684 -27.921 13.374 1.00 0.01 C \nATOM 1139 CD GLU A 71 -2.089 -28.424 13.049 1.00 0.81 C \nATOM 1140 OE1 GLU A 71 -2.582 -28.210 11.917 1.00 -0.82 O \nATOM 1141 OE2 GLU A 71 -2.703 -29.042 13.950 1.00 -0.82 O \nATOM 1142 HA GLU A 71 1.119 -25.795 13.724 1.00 0.11 H \nATOM 1143 HB2 GLU A 71 -0.813 -26.055 12.299 1.00 -0.02 H \nATOM 1144 HB3 GLU A 71 -0.023 -27.389 11.391 1.00 -0.02 H \nATOM 1145 HG2 GLU A 71 -0.008 -28.788 13.401 1.00 -0.04 H \nATOM 1146 HG3 GLU A 71 -0.711 -27.446 14.366 1.00 -0.04 H \nATOM 1147 H GLU A 71 1.372 -25.301 10.957 1.00 0.29 H \nATOM 1148 N GLN A 72 2.834 -28.135 12.148 1.00 -0.42 N \nATOM 1149 CA GLN A 72 3.730 -29.269 12.396 1.00 -0.00 C \nATOM 1150 C GLN A 72 5.190 -28.867 12.655 1.00 0.60 C \nATOM 1151 O GLN A 72 6.044 -29.728 12.861 1.00 -0.57 O \nATOM 1152 CB GLN A 72 3.663 -30.279 11.251 1.00 -0.00 C \nATOM 1153 CG GLN A 72 2.256 -30.758 10.916 1.00 -0.06 C \nATOM 1154 CD GLN A 72 1.760 -30.200 9.595 1.00 0.70 C \nATOM 1155 OE1 GLN A 72 1.230 -29.089 9.532 1.00 -0.61 O \nATOM 1156 NE2 GLN A 72 1.939 -30.971 8.525 1.00 -0.94 N \nATOM 1157 HA GLN A 72 3.367 -29.770 13.305 1.00 0.09 H \nATOM 1158 HB2 GLN A 72 4.090 -29.809 10.352 1.00 0.02 H \nATOM 1159 HB3 GLN A 72 4.268 -31.155 11.529 1.00 0.02 H \nATOM 1160 HG2 GLN A 72 2.260 -31.856 10.857 1.00 0.04 H \nATOM 1161 HG3 GLN A 72 1.572 -30.436 11.715 1.00 0.04 H \nATOM 1162 HE22 GLN A 72 1.633 -30.658 7.626 1.00 0.43 H \nATOM 1163 HE21 GLN A 72 2.380 -31.864 8.620 1.00 0.43 H \nATOM 1164 H GLN A 72 2.713 -27.795 11.216 1.00 0.27 H \nATOM 1165 N LYS A 73 5.462 -27.565 12.659 1.00 -0.35 N \nATOM 1166 CA LYS A 73 6.825 -27.047 12.787 1.00 -0.24 C \nATOM 1167 C LYS A 73 7.706 -27.569 11.664 1.00 0.73 C \nATOM 1168 O LYS A 73 8.879 -27.895 11.863 1.00 -0.59 O \nATOM 1169 CB LYS A 73 7.427 -27.368 14.160 1.00 -0.01 C \nATOM 1170 CG LYS A 73 6.767 -26.607 15.321 1.00 0.02 C \nATOM 1171 CD LYS A 73 7.473 -26.890 16.646 1.00 -0.05 C \nATOM 1172 CE LYS A 73 6.709 -26.287 17.822 1.00 -0.01 C \nATOM 1173 NZ LYS A 73 7.283 -26.660 19.154 1.00 -0.39 N \nATOM 1174 HA LYS A 73 6.776 -25.952 12.694 1.00 0.14 H \nATOM 1175 HB2 LYS A 73 7.315 -28.447 14.344 1.00 0.04 H \nATOM 1176 HB3 LYS A 73 8.496 -27.109 14.139 1.00 0.04 H \nATOM 1177 HG2 LYS A 73 6.814 -25.528 15.114 1.00 0.01 H \nATOM 1178 HG3 LYS A 73 5.715 -26.920 15.402 1.00 0.01 H \nATOM 1179 HD2 LYS A 73 7.547 -27.978 16.787 1.00 0.06 H \nATOM 1180 HD3 LYS A 73 8.483 -26.455 16.614 1.00 0.06 H \nATOM 1181 HE2 LYS A 73 6.730 -25.191 17.727 1.00 0.11 H \nATOM 1182 HE3 LYS A 73 5.668 -26.639 17.779 1.00 0.11 H \nATOM 1183 HZ1 LYS A 73 8.239 -26.344 19.209 1.00 0.34 H \nATOM 1184 HZ2 LYS A 73 6.743 -26.226 19.886 1.00 0.34 H \nATOM 1185 HZ3 LYS A 73 7.254 -27.662 19.264 1.00 0.34 H \nATOM 1186 H LYS A 73 4.707 -26.915 12.571 1.00 0.27 H \nATOM 1187 N VAL A 74 7.123 -27.629 10.473 1.00 -0.42 N \nATOM 1188 CA VAL A 74 7.782 -28.220 9.318 1.00 -0.09 C \nATOM 1189 C VAL A 74 8.027 -27.190 8.211 1.00 0.60 C \nATOM 1190 O VAL A 74 7.209 -26.300 7.987 1.00 -0.57 O \nATOM 1191 CB VAL A 74 6.965 -29.422 8.792 1.00 0.30 C \nATOM 1192 CG1 VAL A 74 7.296 -29.749 7.324 1.00 -0.32 C \nATOM 1193 CG2 VAL A 74 7.174 -30.636 9.693 1.00 -0.32 C \nATOM 1194 HA VAL A 74 8.763 -28.595 9.646 1.00 0.10 H \nATOM 1195 HB VAL A 74 5.901 -29.148 8.837 1.00 -0.03 H \nATOM 1196 HG11 VAL A 74 8.366 -29.986 7.233 1.00 0.08 H \nATOM 1197 HG12 VAL A 74 6.700 -30.614 6.998 1.00 0.08 H \nATOM 1198 HG13 VAL A 74 7.058 -28.881 6.692 1.00 0.08 H \nATOM 1199 HG21 VAL A 74 6.854 -30.392 10.717 1.00 0.08 H \nATOM 1200 HG22 VAL A 74 6.580 -31.481 9.314 1.00 0.08 H \nATOM 1201 HG23 VAL A 74 8.239 -30.910 9.698 1.00 0.08 H \nATOM 1202 H VAL A 74 6.201 -27.256 10.366 1.00 0.27 H \nATOM 1203 N LEU A 75 9.172 -27.302 7.541 1.00 -0.42 N \nATOM 1204 CA LEU A 75 9.436 -26.507 6.353 1.00 -0.05 C \nATOM 1205 C LEU A 75 9.761 -27.487 5.245 1.00 0.60 C \nATOM 1206 O LEU A 75 10.650 -28.336 5.405 1.00 -0.57 O \nATOM 1207 CB LEU A 75 10.611 -25.544 6.564 1.00 -0.11 C \nATOM 1208 CG LEU A 75 10.985 -24.671 5.362 1.00 0.35 C \nATOM 1209 CD1 LEU A 75 9.856 -23.687 5.045 1.00 -0.41 C \nATOM 1210 CD2 LEU A 75 12.312 -23.929 5.583 1.00 -0.41 C \nATOM 1211 HA LEU A 75 8.540 -25.925 6.090 1.00 0.09 H \nATOM 1212 HB2 LEU A 75 10.353 -24.876 7.399 1.00 0.05 H \nATOM 1213 HB3 LEU A 75 11.494 -26.143 6.833 1.00 0.05 H \nATOM 1214 HG LEU A 75 11.113 -25.333 4.493 1.00 -0.04 H \nATOM 1215 HD21 LEU A 75 13.117 -24.659 5.752 1.00 0.10 H \nATOM 1216 HD22 LEU A 75 12.546 -23.324 4.694 1.00 0.10 H \nATOM 1217 HD23 LEU A 75 12.223 -23.272 6.461 1.00 0.10 H \nATOM 1218 HD11 LEU A 75 9.671 -23.046 5.920 1.00 0.10 H \nATOM 1219 HD12 LEU A 75 10.145 -23.062 4.187 1.00 0.10 H \nATOM 1220 HD13 LEU A 75 8.941 -24.246 4.800 1.00 0.10 H \nATOM 1221 H LEU A 75 9.865 -27.947 7.862 1.00 0.27 H \nATOM 1222 N GLU A 76 9.060 -27.356 4.119 1.00 -0.52 N \nATOM 1223 CA GLU A 76 9.300 -28.210 2.963 1.00 0.04 C \nATOM 1224 C GLU A 76 9.963 -27.451 1.828 1.00 0.54 C \nATOM 1225 O GLU A 76 9.581 -26.309 1.518 1.00 -0.58 O \nATOM 1226 CB GLU A 76 7.985 -28.863 2.490 1.00 0.06 C \nATOM 1227 CG GLU A 76 7.487 -29.959 3.434 1.00 0.01 C \nATOM 1228 CD GLU A 76 6.221 -30.671 2.952 1.00 0.81 C \nATOM 1229 OE1 GLU A 76 5.758 -30.422 1.816 1.00 -0.82 O \nATOM 1230 OE2 GLU A 76 5.697 -31.497 3.721 1.00 -0.82 O \nATOM 1231 HA GLU A 76 9.985 -29.012 3.275 1.00 0.11 H \nATOM 1232 HB2 GLU A 76 7.212 -28.083 2.420 1.00 -0.02 H \nATOM 1233 HB3 GLU A 76 8.151 -29.305 1.497 1.00 -0.02 H \nATOM 1234 HG2 GLU A 76 8.284 -30.709 3.544 1.00 -0.04 H \nATOM 1235 HG3 GLU A 76 7.275 -29.503 4.412 1.00 -0.04 H \nATOM 1236 H GLU A 76 8.351 -26.653 4.066 1.00 0.29 H \nATOM 1237 N ILE A 77 10.987 -28.066 1.235 1.00 -0.42 N \nATOM 1238 CA ILE A 77 11.633 -27.492 0.049 1.00 -0.06 C \nATOM 1239 C ILE A 77 11.487 -28.522 -1.074 1.00 0.60 C \nATOM 1240 O ILE A 77 12.057 -29.609 -0.997 1.00 -0.57 O \nATOM 1241 CB ILE A 77 13.151 -27.167 0.263 1.00 0.13 C \nATOM 1242 CG1 ILE A 77 13.367 -26.121 1.367 1.00 -0.04 C \nATOM 1243 CG2 ILE A 77 13.735 -26.626 -1.012 1.00 -0.32 C \nATOM 1244 CD1 ILE A 77 13.369 -26.697 2.757 1.00 -0.07 C \nATOM 1245 HA ILE A 77 11.113 -26.563 -0.227 1.00 0.09 H \nATOM 1246 HB ILE A 77 13.674 -28.094 0.541 1.00 0.02 H \nATOM 1247 HG12 ILE A 77 14.336 -25.629 1.194 1.00 0.02 H \nATOM 1248 HG13 ILE A 77 12.560 -25.376 1.302 1.00 0.02 H \nATOM 1249 HD11 ILE A 77 14.171 -27.445 2.843 1.00 0.02 H \nATOM 1250 HD12 ILE A 77 13.538 -25.892 3.487 1.00 0.02 H \nATOM 1251 HD13 ILE A 77 12.399 -27.175 2.957 1.00 0.02 H \nATOM 1252 HG21 ILE A 77 13.195 -25.714 -1.305 1.00 0.09 H \nATOM 1253 HG22 ILE A 77 14.798 -26.389 -0.857 1.00 0.09 H \nATOM 1254 HG23 ILE A 77 13.640 -27.380 -1.808 1.00 0.09 H \nATOM 1255 H ILE A 77 11.320 -28.933 1.605 1.00 0.27 H \nATOM 1256 N ARG A 78 10.719 -28.181 -2.107 1.00 -0.35 N \nATOM 1257 CA ARG A 78 10.421 -29.114 -3.190 1.00 -0.26 C \nATOM 1258 C ARG A 78 10.970 -28.637 -4.519 1.00 0.73 C \nATOM 1259 O ARG A 78 11.039 -27.427 -4.775 1.00 -0.59 O \nATOM 1260 CB ARG A 78 8.894 -29.286 -3.324 1.00 -0.00 C \nATOM 1261 CG ARG A 78 8.443 -30.189 -4.502 1.00 0.04 C \nATOM 1262 CD ARG A 78 6.919 -30.434 -4.424 1.00 0.05 C \nATOM 1263 NE ARG A 78 6.409 -31.128 -5.607 1.00 -0.53 N \nATOM 1264 CZ ARG A 78 5.120 -31.299 -5.877 1.00 0.81 C \nATOM 1265 NH1 ARG A 78 4.195 -30.845 -5.032 1.00 -0.86 N \nATOM 1266 NH2 ARG A 78 4.756 -31.939 -6.983 1.00 -0.86 N \nATOM 1267 HA ARG A 78 10.875 -30.086 -2.948 1.00 0.16 H \nATOM 1268 HB2 ARG A 78 8.516 -29.727 -2.390 1.00 0.03 H \nATOM 1269 HB3 ARG A 78 8.448 -28.290 -3.466 1.00 0.03 H \nATOM 1270 HG2 ARG A 78 8.685 -29.694 -5.454 1.00 0.03 H \nATOM 1271 HG3 ARG A 78 8.971 -31.153 -4.446 1.00 0.03 H \nATOM 1272 HD2 ARG A 78 6.703 -31.045 -3.535 1.00 0.07 H \nATOM 1273 HD3 ARG A 78 6.408 -29.464 -4.335 1.00 0.07 H \nATOM 1274 HE ARG A 78 7.095 -31.509 -6.274 1.00 0.35 H \nATOM 1275 HH12 ARG A 78 3.196 -30.978 -5.242 1.00 0.45 H \nATOM 1276 HH11 ARG A 78 4.479 -30.361 -4.168 1.00 0.45 H \nATOM 1277 HH22 ARG A 78 3.757 -32.073 -7.195 1.00 0.45 H \nATOM 1278 HH21 ARG A 78 5.473 -32.301 -7.628 1.00 0.45 H \nATOM 1279 H ARG A 78 10.335 -27.258 -2.142 1.00 0.27 H \nATOM 1280 N ASP A 79 11.283 -29.596 -5.390 1.00 -0.52 N \nATOM 1281 CA ASP A 79 11.729 -29.291 -6.743 1.00 0.04 C \nATOM 1282 C ASP A 79 11.122 -30.349 -7.651 1.00 0.54 C \nATOM 1283 O ASP A 79 10.799 -31.448 -7.199 1.00 -0.58 O \nATOM 1284 CB ASP A 79 13.273 -29.333 -6.843 1.00 -0.03 C \nATOM 1285 CG ASP A 79 13.828 -30.728 -6.604 1.00 0.80 C \nATOM 1286 OD1 ASP A 79 13.778 -31.559 -7.536 1.00 -0.80 O \nATOM 1287 OD2 ASP A 79 14.293 -31.002 -5.477 1.00 -0.80 O \nATOM 1288 HA ASP A 79 11.374 -28.292 -7.037 1.00 0.09 H \nATOM 1289 HB2 ASP A 79 13.572 -29.001 -7.848 1.00 -0.01 H \nATOM 1290 HB3 ASP A 79 13.695 -28.651 -6.091 1.00 -0.01 H \nATOM 1291 H ASP A 79 11.210 -30.552 -5.107 1.00 0.29 H \nATOM 1292 N SER A 80 10.952 -30.011 -8.923 1.00 -0.42 N \nATOM 1293 CA SER A 80 10.519 -30.984 -9.918 1.00 -0.02 C \nATOM 1294 C SER A 80 11.722 -31.396 -10.770 1.00 0.60 C \nATOM 1295 O SER A 80 11.619 -31.578 -11.983 1.00 -0.57 O \nATOM 1296 CB SER A 80 9.370 -30.423 -10.768 1.00 0.21 C \nATOM 1297 OG SER A 80 9.606 -29.075 -11.169 1.00 -0.65 O \nATOM 1298 HA SER A 80 10.147 -31.877 -9.394 1.00 0.08 H \nATOM 1299 HB2 SER A 80 9.258 -31.046 -11.668 1.00 0.04 H \nATOM 1300 HB3 SER A 80 8.442 -30.460 -10.178 1.00 0.04 H \nATOM 1301 HG SER A 80 8.874 -28.767 -11.691 1.00 0.43 H \nATOM 1302 H SER A 80 11.125 -29.067 -9.205 1.00 0.27 H \nATOM 1303 N GLY A 81 12.864 -31.533 -10.104 1.00 -0.42 N \nATOM 1304 CA GLY A 81 14.089 -31.993 -10.731 1.00 -0.03 C \nATOM 1305 C GLY A 81 14.014 -33.488 -11.008 1.00 0.60 C \nATOM 1306 O GLY A 81 12.922 -34.066 -11.030 1.00 -0.57 O \nATOM 1307 HA3 GLY A 81 14.235 -31.455 -11.680 1.00 0.07 H \nATOM 1308 HA2 GLY A 81 14.937 -31.791 -10.061 1.00 0.07 H \nATOM 1309 H GLY A 81 12.880 -31.310 -9.129 1.00 0.27 H \nATOM 1310 N ILE A 82 15.173 -34.102 -11.208 1.00 -0.42 N \nATOM 1311 CA ILE A 82 15.271 -35.488 -11.689 1.00 -0.06 C \nATOM 1312 C ILE A 82 14.798 -36.531 -10.676 1.00 0.60 C \nATOM 1313 O ILE A 82 14.355 -37.618 -11.066 1.00 -0.57 O \nATOM 1314 CB ILE A 82 16.718 -35.817 -12.160 1.00 0.13 C \nATOM 1315 CG1 ILE A 82 16.783 -37.177 -12.875 1.00 -0.04 C \nATOM 1316 CG2 ILE A 82 17.697 -35.781 -10.996 1.00 -0.32 C \nATOM 1317 CD1 ILE A 82 18.100 -37.392 -13.612 1.00 -0.07 C \nATOM 1318 HA ILE A 82 14.611 -35.568 -12.565 1.00 0.09 H \nATOM 1319 HB ILE A 82 17.020 -35.042 -12.880 1.00 0.02 H \nATOM 1320 HG12 ILE A 82 16.664 -37.974 -12.126 1.00 0.02 H \nATOM 1321 HG13 ILE A 82 15.960 -37.232 -13.602 1.00 0.02 H \nATOM 1322 HD11 ILE A 82 18.934 -37.338 -12.896 1.00 0.02 H \nATOM 1323 HD12 ILE A 82 18.093 -38.381 -14.094 1.00 0.02 H \nATOM 1324 HD13 ILE A 82 18.223 -36.612 -14.378 1.00 0.02 H \nATOM 1325 HG21 ILE A 82 17.391 -36.515 -10.236 1.00 0.09 H \nATOM 1326 HG22 ILE A 82 18.706 -36.027 -11.358 1.00 0.09 H \nATOM 1327 HG23 ILE A 82 17.702 -34.775 -10.552 1.00 0.09 H \nATOM 1328 H ILE A 82 16.018 -33.600 -11.023 1.00 0.27 H \nATOM 1329 N GLY A 83 14.869 -36.204 -9.385 1.00 -0.42 N \nATOM 1330 CA GLY A 83 14.498 -37.163 -8.352 1.00 -0.03 C \nATOM 1331 C GLY A 83 15.550 -38.243 -8.143 1.00 0.60 C \nATOM 1332 O GLY A 83 16.558 -38.300 -8.856 1.00 -0.57 O \nATOM 1333 HA3 GLY A 83 14.357 -36.622 -7.405 1.00 0.07 H \nATOM 1334 HA2 GLY A 83 13.553 -37.645 -8.643 1.00 0.07 H \nATOM 1335 H GLY A 83 15.180 -35.291 -9.123 1.00 0.27 H \nATOM 1336 N MET A 84 15.325 -39.109 -7.160 1.00 -0.42 N \nATOM 1337 CA MET A 84 16.293 -40.142 -6.809 1.00 -0.02 C \nATOM 1338 C MET A 84 15.592 -41.486 -6.617 1.00 0.60 C \nATOM 1339 O MET A 84 14.508 -41.560 -6.031 1.00 -0.57 O \nATOM 1340 CB MET A 84 17.044 -39.761 -5.521 1.00 0.03 C \nATOM 1341 CG MET A 84 18.028 -38.592 -5.660 1.00 0.00 C \nATOM 1342 SD MET A 84 18.524 -37.923 -4.053 1.00 -0.27 S \nATOM 1343 CE MET A 84 16.911 -37.395 -3.498 1.00 -0.05 C \nATOM 1344 HA MET A 84 17.020 -40.235 -7.629 1.00 0.09 H \nATOM 1345 HB2 MET A 84 16.298 -39.489 -4.760 1.00 0.02 H \nATOM 1346 HB3 MET A 84 17.608 -40.642 -5.183 1.00 0.02 H \nATOM 1347 HG2 MET A 84 18.925 -38.945 -6.189 1.00 0.04 H \nATOM 1348 HG3 MET A 84 17.549 -37.793 -6.244 1.00 0.04 H \nATOM 1349 HE1 MET A 84 16.234 -38.261 -3.460 1.00 0.07 H \nATOM 1350 HE2 MET A 84 16.995 -36.952 -2.495 1.00 0.07 H \nATOM 1351 HE3 MET A 84 16.510 -36.647 -4.197 1.00 0.07 H \nATOM 1352 H MET A 84 14.469 -39.051 -6.647 1.00 0.27 H \nATOM 1353 N THR A 85 16.196 -42.549 -7.125 1.00 -0.42 N \nATOM 1354 CA THR A 85 15.649 -43.894 -6.939 1.00 -0.04 C \nATOM 1355 C THR A 85 15.952 -44.418 -5.541 1.00 0.60 C \nATOM 1356 O THR A 85 16.759 -43.840 -4.813 1.00 -0.57 O \nATOM 1357 CB THR A 85 16.277 -44.831 -7.945 1.00 0.37 C \nATOM 1358 OG1 THR A 85 17.682 -44.884 -7.684 1.00 -0.68 O \nATOM 1359 CG2 THR A 85 16.054 -44.279 -9.357 1.00 -0.24 C \nATOM 1360 HA THR A 85 14.560 -43.865 -7.089 1.00 0.10 H \nATOM 1361 HB THR A 85 15.835 -45.834 -7.858 1.00 0.00 H \nATOM 1362 HG1 THR A 85 18.098 -45.469 -8.306 1.00 0.41 H \nATOM 1363 HG23 THR A 85 15.195 -44.789 -9.819 1.00 0.06 H \nATOM 1364 HG21 THR A 85 15.853 -43.199 -9.301 1.00 0.06 H \nATOM 1365 HG22 THR A 85 16.954 -44.453 -9.965 1.00 0.06 H \nATOM 1366 H THR A 85 17.042 -42.431 -7.645 1.00 0.27 H \nATOM 1367 N LYS A 86 15.329 -45.532 -5.166 1.00 -0.35 N \nATOM 1368 CA LYS A 86 15.604 -46.113 -3.859 1.00 -0.24 C \nATOM 1369 C LYS A 86 17.108 -46.331 -3.691 1.00 0.73 C \nATOM 1370 O LYS A 86 17.687 -46.022 -2.653 1.00 -0.59 O \nATOM 1371 CB LYS A 86 14.866 -47.444 -3.697 1.00 -0.01 C \nATOM 1372 CG LYS A 86 15.092 -48.118 -2.356 1.00 0.02 C \nATOM 1373 CD LYS A 86 14.578 -49.551 -2.386 1.00 -0.05 C \nATOM 1374 CE LYS A 86 14.724 -50.219 -1.036 1.00 -0.01 C \nATOM 1375 NZ LYS A 86 14.215 -51.618 -1.087 1.00 -0.39 N \nATOM 1376 HA LYS A 86 15.255 -45.417 -3.082 1.00 0.14 H \nATOM 1377 HB2 LYS A 86 13.788 -47.258 -3.813 1.00 0.04 H \nATOM 1378 HB3 LYS A 86 15.207 -48.127 -4.489 1.00 0.04 H \nATOM 1379 HG2 LYS A 86 16.169 -48.124 -2.131 1.00 0.01 H \nATOM 1380 HG3 LYS A 86 14.557 -47.558 -1.575 1.00 0.01 H \nATOM 1381 HD2 LYS A 86 13.515 -49.544 -2.669 1.00 0.06 H \nATOM 1382 HD3 LYS A 86 15.152 -50.121 -3.131 1.00 0.06 H \nATOM 1383 HE2 LYS A 86 15.786 -50.231 -0.751 1.00 0.11 H \nATOM 1384 HE3 LYS A 86 14.150 -49.652 -0.288 1.00 0.11 H \nATOM 1385 HZ1 LYS A 86 14.734 -52.139 -1.776 1.00 0.34 H \nATOM 1386 HZ2 LYS A 86 14.329 -52.050 -0.183 1.00 0.34 H \nATOM 1387 HZ3 LYS A 86 13.238 -51.611 -1.336 1.00 0.34 H \nATOM 1388 H LYS A 86 14.673 -45.970 -5.781 1.00 0.27 H \nATOM 1389 N ALA A 87 17.740 -46.874 -4.723 1.00 -0.42 N \nATOM 1390 CA ALA A 87 19.170 -47.174 -4.654 1.00 0.03 C \nATOM 1391 C ALA A 87 20.011 -45.904 -4.563 1.00 0.60 C \nATOM 1392 O ALA A 87 21.000 -45.843 -3.828 1.00 -0.57 O \nATOM 1393 CB ALA A 87 19.583 -48.018 -5.839 1.00 -0.18 C \nATOM 1394 HA ALA A 87 19.349 -47.760 -3.740 1.00 0.08 H \nATOM 1395 HB1 ALA A 87 20.659 -48.237 -5.776 1.00 0.06 H \nATOM 1396 HB2 ALA A 87 19.016 -48.961 -5.833 1.00 0.06 H \nATOM 1397 HB3 ALA A 87 19.374 -47.470 -6.770 1.00 0.06 H \nATOM 1398 H ALA A 87 17.232 -47.081 -5.559 1.00 0.27 H \nATOM 1399 N GLU A 88 19.615 -44.880 -5.307 1.00 -0.52 N \nATOM 1400 CA GLU A 88 20.273 -43.595 -5.179 1.00 0.04 C \nATOM 1401 C GLU A 88 20.161 -43.039 -3.760 1.00 0.54 C \nATOM 1402 O GLU A 88 21.149 -42.602 -3.204 1.00 -0.58 O \nATOM 1403 CB GLU A 88 19.759 -42.604 -6.227 1.00 0.06 C \nATOM 1404 CG GLU A 88 20.375 -42.859 -7.598 1.00 0.01 C \nATOM 1405 CD GLU A 88 19.744 -42.030 -8.698 1.00 0.81 C \nATOM 1406 OE1 GLU A 88 18.525 -41.757 -8.638 1.00 -0.82 O \nATOM 1407 OE2 GLU A 88 20.479 -41.649 -9.627 1.00 -0.82 O \nATOM 1408 HA GLU A 88 21.343 -43.755 -5.380 1.00 0.11 H \nATOM 1409 HB2 GLU A 88 18.666 -42.702 -6.304 1.00 -0.02 H \nATOM 1410 HB3 GLU A 88 20.014 -41.583 -5.907 1.00 -0.02 H \nATOM 1411 HG2 GLU A 88 21.447 -42.618 -7.550 1.00 -0.04 H \nATOM 1412 HG3 GLU A 88 20.249 -43.923 -7.846 1.00 -0.04 H \nATOM 1413 H GLU A 88 18.863 -44.994 -5.956 1.00 0.29 H \nATOM 1414 N LEU A 89 18.971 -43.076 -3.166 1.00 -0.42 N \nATOM 1415 CA LEU A 89 18.809 -42.584 -1.795 1.00 -0.05 C \nATOM 1416 C LEU A 89 19.721 -43.332 -0.829 1.00 0.60 C \nATOM 1417 O LEU A 89 20.393 -42.726 -0.004 1.00 -0.57 O \nATOM 1418 CB LEU A 89 17.357 -42.716 -1.335 1.00 -0.11 C \nATOM 1419 CG LEU A 89 16.326 -41.871 -2.070 1.00 0.35 C \nATOM 1420 CD1 LEU A 89 14.918 -42.398 -1.783 1.00 -0.41 C \nATOM 1421 CD2 LEU A 89 16.454 -40.346 -1.707 1.00 -0.41 C \nATOM 1422 HA LEU A 89 19.084 -41.519 -1.778 1.00 0.09 H \nATOM 1423 HB2 LEU A 89 17.066 -43.771 -1.449 1.00 0.05 H \nATOM 1424 HB3 LEU A 89 17.318 -42.438 -0.271 1.00 0.05 H \nATOM 1425 HG LEU A 89 16.513 -41.973 -3.149 1.00 -0.04 H \nATOM 1426 HD21 LEU A 89 17.459 -39.989 -1.974 1.00 0.10 H \nATOM 1427 HD22 LEU A 89 15.700 -39.772 -2.265 1.00 0.10 H \nATOM 1428 HD23 LEU A 89 16.292 -40.211 -0.627 1.00 0.10 H \nATOM 1429 HD11 LEU A 89 14.725 -42.359 -0.701 1.00 0.10 H \nATOM 1430 HD12 LEU A 89 14.179 -41.776 -2.309 1.00 0.10 H \nATOM 1431 HD13 LEU A 89 14.837 -43.438 -2.133 1.00 0.10 H \nATOM 1432 H LEU A 89 18.181 -43.442 -3.659 1.00 0.27 H \nATOM 1433 N ILE A 90 19.747 -44.657 -0.937 1.00 -0.42 N \nATOM 1434 CA ILE A 90 20.590 -45.455 -0.072 1.00 -0.06 C \nATOM 1435 C ILE A 90 22.070 -45.194 -0.316 1.00 0.60 C \nATOM 1436 O ILE A 90 22.849 -45.042 0.623 1.00 -0.57 O \nATOM 1437 CB ILE A 90 20.331 -46.959 -0.287 1.00 0.13 C \nATOM 1438 CG1 ILE A 90 18.925 -47.324 0.204 1.00 -0.04 C \nATOM 1439 CG2 ILE A 90 21.403 -47.775 0.399 1.00 -0.32 C \nATOM 1440 CD1 ILE A 90 18.540 -48.778 -0.100 1.00 -0.07 C \nATOM 1441 HA ILE A 90 20.353 -45.197 0.971 1.00 0.09 H \nATOM 1442 HB ILE A 90 20.381 -47.170 -1.365 1.00 0.02 H \nATOM 1443 HG12 ILE A 90 18.884 -47.171 1.293 1.00 0.02 H \nATOM 1444 HG13 ILE A 90 18.199 -46.660 -0.287 1.00 0.02 H \nATOM 1445 HD11 ILE A 90 19.258 -49.456 0.385 1.00 0.02 H \nATOM 1446 HD12 ILE A 90 17.529 -48.978 0.285 1.00 0.02 H \nATOM 1447 HD13 ILE A 90 18.557 -48.942 -1.188 1.00 0.02 H \nATOM 1448 HG21 ILE A 90 21.402 -47.551 1.476 1.00 0.09 H \nATOM 1449 HG22 ILE A 90 21.202 -48.846 0.247 1.00 0.09 H \nATOM 1450 HG23 ILE A 90 22.385 -47.522 -0.027 1.00 0.09 H \nATOM 1451 H ILE A 90 19.177 -45.108 -1.624 1.00 0.27 H \nATOM 1452 N ASN A 91 22.460 -45.153 -1.583 1.00 -0.42 N \nATOM 1453 CA ASN A 91 23.877 -45.058 -1.915 1.00 0.01 C \nATOM 1454 C ASN A 91 24.451 -43.663 -1.723 1.00 0.60 C \nATOM 1455 O ASN A 91 25.598 -43.512 -1.319 1.00 -0.57 O \nATOM 1456 CB ASN A 91 24.136 -45.563 -3.335 1.00 -0.20 C \nATOM 1457 CG ASN A 91 24.137 -47.082 -3.423 1.00 0.71 C \nATOM 1458 OD1 ASN A 91 24.199 -47.776 -2.406 1.00 -0.59 O \nATOM 1459 ND2 ASN A 91 24.082 -47.605 -4.643 1.00 -0.92 N \nATOM 1460 HA ASN A 91 24.414 -45.724 -1.224 1.00 0.10 H \nATOM 1461 HB2 ASN A 91 23.350 -45.172 -3.997 1.00 0.08 H \nATOM 1462 HB3 ASN A 91 25.115 -45.190 -3.669 1.00 0.08 H \nATOM 1463 HD22 ASN A 91 24.080 -48.598 -4.762 1.00 0.42 H \nATOM 1464 HD21 ASN A 91 24.043 -47.006 -5.443 1.00 0.42 H \nATOM 1465 H ASN A 91 21.779 -45.187 -2.314 1.00 0.27 H \nATOM 1466 N ASN A 92 23.643 -42.644 -1.985 1.00 -0.42 N \nATOM 1467 CA ASN A 92 24.140 -41.267 -1.978 1.00 0.01 C \nATOM 1468 C ASN A 92 23.827 -40.450 -0.721 1.00 0.60 C \nATOM 1469 O ASN A 92 24.417 -39.389 -0.510 1.00 -0.57 O \nATOM 1470 CB ASN A 92 23.642 -40.523 -3.216 1.00 -0.20 C \nATOM 1471 CG ASN A 92 24.291 -41.009 -4.480 1.00 0.71 C \nATOM 1472 OD1 ASN A 92 25.416 -40.626 -4.792 1.00 -0.59 O \nATOM 1473 ND2 ASN A 92 23.592 -41.859 -5.223 1.00 -0.92 N \nATOM 1474 HA ASN A 92 25.236 -41.331 -2.045 1.00 0.10 H \nATOM 1475 HB2 ASN A 92 22.555 -40.667 -3.300 1.00 0.08 H \nATOM 1476 HB3 ASN A 92 23.862 -39.452 -3.096 1.00 0.08 H \nATOM 1477 HD22 ASN A 92 23.978 -42.213 -6.075 1.00 0.42 H \nATOM 1478 HD21 ASN A 92 22.679 -42.145 -4.931 1.00 0.42 H \nATOM 1479 H ASN A 92 22.680 -42.819 -2.190 1.00 0.27 H \nATOM 1480 N LEU A 93 22.904 -40.934 0.105 1.00 -0.42 N \nATOM 1481 CA LEU A 93 22.514 -40.214 1.319 1.00 -0.05 C \nATOM 1482 C LEU A 93 22.866 -40.971 2.589 1.00 0.60 C \nATOM 1483 O LEU A 93 22.026 -41.101 3.486 1.00 -0.57 O \nATOM 1484 CB LEU A 93 21.006 -39.918 1.335 1.00 -0.11 C \nATOM 1485 CG LEU A 93 20.475 -38.800 0.452 1.00 0.35 C \nATOM 1486 CD1 LEU A 93 18.959 -38.604 0.678 1.00 -0.41 C \nATOM 1487 CD2 LEU A 93 21.254 -37.489 0.685 1.00 -0.41 C \nATOM 1488 HA LEU A 93 23.057 -39.257 1.327 1.00 0.09 H \nATOM 1489 HB2 LEU A 93 20.491 -40.842 1.033 1.00 0.05 H \nATOM 1490 HB3 LEU A 93 20.735 -39.669 2.372 1.00 0.05 H \nATOM 1491 HG LEU A 93 20.624 -39.097 -0.597 1.00 -0.04 H \nATOM 1492 HD21 LEU A 93 22.319 -37.650 0.460 1.00 0.10 H \nATOM 1493 HD22 LEU A 93 20.855 -36.703 0.027 1.00 0.10 H \nATOM 1494 HD23 LEU A 93 21.144 -37.179 1.735 1.00 0.10 H \nATOM 1495 HD11 LEU A 93 18.775 -38.355 1.733 1.00 0.10 H \nATOM 1496 HD12 LEU A 93 18.596 -37.786 0.039 1.00 0.10 H \nATOM 1497 HD13 LEU A 93 18.427 -39.532 0.422 1.00 0.10 H \nATOM 1498 H LEU A 93 22.467 -41.808 -0.107 1.00 0.27 H \nATOM 1499 N GLY A 94 24.088 -41.486 2.678 1.00 -0.42 N \nATOM 1500 CA GLY A 94 24.511 -42.054 3.942 1.00 -0.03 C \nATOM 1501 C GLY A 94 25.443 -43.244 3.977 1.00 0.60 C \nATOM 1502 O GLY A 94 26.340 -43.284 4.820 1.00 -0.57 O \nATOM 1503 HA3 GLY A 94 25.010 -41.247 4.499 1.00 0.07 H \nATOM 1504 HA2 GLY A 94 23.596 -42.355 4.474 1.00 0.07 H \nATOM 1505 H GLY A 94 24.703 -41.482 1.889 1.00 0.27 H \nATOM 1506 N THR A 95 25.234 -44.221 3.096 1.00 -0.42 N \nATOM 1507 CA THR A 95 25.979 -45.480 3.185 1.00 -0.04 C \nATOM 1508 C THR A 95 27.375 -45.388 2.582 1.00 0.60 C \nATOM 1509 O THR A 95 28.222 -46.244 2.828 1.00 -0.57 O \nATOM 1510 CB THR A 95 25.224 -46.676 2.549 1.00 0.37 C \nATOM 1511 OG1 THR A 95 24.946 -46.407 1.171 1.00 -0.68 O \nATOM 1512 CG2 THR A 95 23.929 -46.946 3.283 1.00 -0.24 C \nATOM 1513 HA THR A 95 26.098 -45.700 4.256 1.00 0.10 H \nATOM 1514 HB THR A 95 25.862 -47.570 2.616 1.00 0.00 H \nATOM 1515 HG1 THR A 95 24.484 -47.145 0.791 1.00 0.41 H \nATOM 1516 HG23 THR A 95 24.076 -47.772 3.994 1.00 0.06 H \nATOM 1517 HG21 THR A 95 23.622 -46.042 3.830 1.00 0.06 H \nATOM 1518 HG22 THR A 95 23.147 -47.220 2.559 1.00 0.06 H \nATOM 1519 H THR A 95 24.562 -44.094 2.366 1.00 0.27 H \nATOM 1520 N ILE A 96 27.614 -44.348 1.795 1.00 -0.42 N \nATOM 1521 CA ILE A 96 28.932 -44.133 1.220 1.00 -0.06 C \nATOM 1522 C ILE A 96 29.370 -42.686 1.439 1.00 0.60 C \nATOM 1523 O ILE A 96 28.789 -41.762 0.867 1.00 -0.57 O \nATOM 1524 CB ILE A 96 28.947 -44.468 -0.284 1.00 0.13 C \nATOM 1525 CG1 ILE A 96 28.413 -45.886 -0.516 1.00 -0.04 C \nATOM 1526 CG2 ILE A 96 30.351 -44.306 -0.856 1.00 -0.32 C \nATOM 1527 CD1 ILE A 96 28.418 -46.320 -1.974 1.00 -0.07 C \nATOM 1528 HA ILE A 96 29.645 -44.797 1.730 1.00 0.09 H \nATOM 1529 HB ILE A 96 28.282 -43.761 -0.803 1.00 0.02 H \nATOM 1530 HG12 ILE A 96 29.037 -46.588 0.056 1.00 0.02 H \nATOM 1531 HG13 ILE A 96 27.378 -45.930 -0.146 1.00 0.02 H \nATOM 1532 HD11 ILE A 96 29.446 -46.284 -2.364 1.00 0.02 H \nATOM 1533 HD12 ILE A 96 28.032 -47.347 -2.052 1.00 0.02 H \nATOM 1534 HD13 ILE A 96 27.780 -45.642 -2.560 1.00 0.02 H \nATOM 1535 HG21 ILE A 96 31.043 -44.977 -0.326 1.00 0.09 H \nATOM 1536 HG22 ILE A 96 30.342 -44.559 -1.926 1.00 0.09 H \nATOM 1537 HG23 ILE A 96 30.681 -43.264 -0.728 1.00 0.09 H \nATOM 1538 H ILE A 96 26.877 -43.702 1.594 1.00 0.27 H \nATOM 1539 N ALA A 97 30.390 -42.496 2.270 1.00 -0.42 N \nATOM 1540 CA ALA A 97 30.895 -41.156 2.573 1.00 0.03 C \nATOM 1541 C ALA A 97 31.231 -40.386 1.307 1.00 0.60 C \nATOM 1542 O ALA A 97 31.947 -40.878 0.438 1.00 -0.57 O \nATOM 1543 CB ALA A 97 32.115 -41.231 3.479 1.00 -0.18 C \nATOM 1544 HA ALA A 97 30.104 -40.608 3.106 1.00 0.08 H \nATOM 1545 HB1 ALA A 97 32.476 -40.214 3.693 1.00 0.06 H \nATOM 1546 HB2 ALA A 97 31.842 -41.729 4.421 1.00 0.06 H \nATOM 1547 HB3 ALA A 97 32.909 -41.804 2.978 1.00 0.06 H \nATOM 1548 H ALA A 97 30.823 -43.289 2.699 1.00 0.27 H \nATOM 1549 N ASN A 98 30.720 -39.167 1.209 1.00 -0.42 N \nATOM 1550 CA ASN A 98 31.022 -38.332 0.059 1.00 0.01 C \nATOM 1551 C ASN A 98 32.507 -37.992 -0.055 1.00 0.60 C \nATOM 1552 O ASN A 98 33.244 -37.964 0.939 1.00 -0.57 O \nATOM 1553 CB ASN A 98 30.177 -37.062 0.082 1.00 -0.20 C \nATOM 1554 CG ASN A 98 28.700 -37.352 -0.090 1.00 0.71 C \nATOM 1555 OD1 ASN A 98 28.081 -38.005 0.755 1.00 -0.59 O \nATOM 1556 ND2 ASN A 98 28.126 -36.868 -1.187 1.00 -0.92 N \nATOM 1557 HA ASN A 98 30.747 -38.902 -0.841 1.00 0.10 H \nATOM 1558 HB2 ASN A 98 30.328 -36.554 1.046 1.00 0.08 H \nATOM 1559 HB3 ASN A 98 30.506 -36.403 -0.735 1.00 0.08 H \nATOM 1560 HD22 ASN A 98 27.153 -37.028 -1.354 1.00 0.42 H \nATOM 1561 HD21 ASN A 98 28.667 -36.344 -1.845 1.00 0.42 H \nATOM 1562 H ASN A 98 30.122 -38.820 1.932 1.00 0.27 H \nATOM 1563 N SER A 99 32.929 -37.734 -1.286 1.00 -0.42 N \nATOM 1564 CA SER A 99 34.315 -37.427 -1.591 1.00 -0.02 C \nATOM 1565 C SER A 99 34.915 -36.328 -0.712 1.00 0.60 C \nATOM 1566 O SER A 99 36.129 -36.238 -0.590 1.00 -0.57 O \nATOM 1567 CB SER A 99 34.453 -37.062 -3.075 1.00 0.21 C \nATOM 1568 OG SER A 99 33.323 -36.338 -3.540 1.00 -0.65 O \nATOM 1569 HA SER A 99 34.899 -38.341 -1.411 1.00 0.08 H \nATOM 1570 HB2 SER A 99 35.353 -36.444 -3.209 1.00 0.04 H \nATOM 1571 HB3 SER A 99 34.552 -37.986 -3.663 1.00 0.04 H \nATOM 1572 HG SER A 99 33.438 -36.127 -4.459 1.00 0.43 H \nATOM 1573 H SER A 99 32.266 -37.752 -2.034 1.00 0.27 H \nATOM 1574 N GLY A 100 34.076 -35.501 -0.095 1.00 -0.42 N \nATOM 1575 CA GLY A 100 34.576 -34.356 0.648 1.00 -0.03 C \nATOM 1576 C GLY A 100 34.242 -34.320 2.130 1.00 0.60 C \nATOM 1577 O GLY A 100 34.459 -33.302 2.792 1.00 -0.57 O \nATOM 1578 HA3 GLY A 100 35.672 -34.345 0.551 1.00 0.07 H \nATOM 1579 HA2 GLY A 100 34.158 -33.449 0.188 1.00 0.07 H \nATOM 1580 H GLY A 100 33.091 -35.668 -0.143 1.00 0.27 H \nATOM 1581 N THR A 101 33.737 -35.426 2.670 1.00 -0.42 N \nATOM 1582 CA THR A 101 33.243 -35.401 4.049 1.00 -0.04 C \nATOM 1583 C THR A 101 34.341 -35.104 5.071 1.00 0.60 C \nATOM 1584 O THR A 101 34.258 -34.131 5.829 1.00 -0.57 O \nATOM 1585 CB THR A 101 32.544 -36.713 4.444 1.00 0.37 C \nATOM 1586 OG1 THR A 101 31.489 -36.989 3.513 1.00 -0.68 O \nATOM 1587 CG2 THR A 101 31.963 -36.598 5.869 1.00 -0.24 C \nATOM 1588 HA THR A 101 32.501 -34.592 4.110 1.00 0.10 H \nATOM 1589 HB THR A 101 33.275 -37.534 4.418 1.00 0.00 H \nATOM 1590 HG1 THR A 101 31.056 -37.799 3.756 1.00 0.41 H \nATOM 1591 HG23 THR A 101 32.653 -37.068 6.585 1.00 0.06 H \nATOM 1592 HG21 THR A 101 31.833 -35.537 6.127 1.00 0.06 H \nATOM 1593 HG22 THR A 101 30.989 -37.108 5.910 1.00 0.06 H \nATOM 1594 H THR A 101 33.695 -36.271 2.137 1.00 0.27 H \nATOM 1595 N LYS A 102 35.361 -35.951 5.092 1.00 -0.35 N \nATOM 1596 CA LYS A 102 36.467 -35.779 6.026 1.00 -0.24 C \nATOM 1597 C LYS A 102 37.158 -34.428 5.832 1.00 0.73 C \nATOM 1598 O LYS A 102 37.518 -33.763 6.800 1.00 -0.59 O \nATOM 1599 CB LYS A 102 37.479 -36.918 5.875 1.00 -0.01 C \nATOM 1600 CG LYS A 102 38.622 -36.871 6.873 1.00 0.02 C \nATOM 1601 CD LYS A 102 39.745 -37.829 6.487 1.00 -0.05 C \nATOM 1602 CE LYS A 102 39.262 -39.275 6.417 1.00 -0.01 C \nATOM 1603 NZ LYS A 102 40.382 -40.235 6.178 1.00 -0.39 N \nATOM 1604 HA LYS A 102 36.060 -35.812 7.047 1.00 0.14 H \nATOM 1605 HB2 LYS A 102 36.947 -37.872 6.005 1.00 0.04 H \nATOM 1606 HB3 LYS A 102 37.904 -36.870 4.861 1.00 0.04 H \nATOM 1607 HG2 LYS A 102 39.023 -35.847 6.909 1.00 0.01 H \nATOM 1608 HG3 LYS A 102 38.240 -37.150 7.866 1.00 0.01 H \nATOM 1609 HD2 LYS A 102 40.138 -37.537 5.502 1.00 0.06 H \nATOM 1610 HD3 LYS A 102 40.546 -37.758 7.237 1.00 0.06 H \nATOM 1611 HE2 LYS A 102 38.773 -39.531 7.368 1.00 0.11 H \nATOM 1612 HE3 LYS A 102 38.536 -39.366 5.596 1.00 0.11 H \nATOM 1613 HZ1 LYS A 102 41.055 -40.158 6.924 1.00 0.34 H \nATOM 1614 HZ2 LYS A 102 40.019 -41.175 6.149 1.00 0.34 H \nATOM 1615 HZ3 LYS A 102 40.827 -40.020 5.300 1.00 0.34 H \nATOM 1616 H LYS A 102 35.372 -36.722 4.455 1.00 0.27 H \nATOM 1617 N ALA A 103 37.341 -34.030 4.577 1.00 -0.42 N \nATOM 1618 CA ALA A 103 38.042 -32.793 4.267 1.00 0.03 C \nATOM 1619 C ALA A 103 37.284 -31.558 4.752 1.00 0.60 C \nATOM 1620 O ALA A 103 37.897 -30.619 5.248 1.00 -0.57 O \nATOM 1621 CB ALA A 103 38.351 -32.702 2.775 1.00 -0.18 C \nATOM 1622 HA ALA A 103 39.002 -32.818 4.803 1.00 0.08 H \nATOM 1623 HB1 ALA A 103 38.880 -31.760 2.567 1.00 0.06 H \nATOM 1624 HB2 ALA A 103 38.984 -33.551 2.479 1.00 0.06 H \nATOM 1625 HB3 ALA A 103 37.411 -32.729 2.204 1.00 0.06 H \nATOM 1626 H ALA A 103 36.989 -34.593 3.829 1.00 0.27 H \nATOM 1627 N PHE A 104 35.957 -31.549 4.601 1.00 -0.42 N \nATOM 1628 CA PHE A 104 35.160 -30.460 5.136 1.00 -0.00 C \nATOM 1629 C PHE A 104 35.302 -30.367 6.656 1.00 0.60 C \nATOM 1630 O PHE A 104 35.517 -29.282 7.203 1.00 -0.57 O \nATOM 1631 CB PHE A 104 33.672 -30.594 4.765 1.00 -0.03 C \nATOM 1632 CG PHE A 104 32.804 -29.558 5.416 1.00 0.01 C \nATOM 1633 CD1 PHE A 104 32.918 -28.219 5.058 1.00 -0.13 C \nATOM 1634 CD2 PHE A 104 31.888 -29.908 6.400 1.00 -0.13 C \nATOM 1635 CE1 PHE A 104 32.130 -27.257 5.665 1.00 -0.17 C \nATOM 1636 CE2 PHE A 104 31.105 -28.946 7.012 1.00 -0.17 C \nATOM 1637 CZ PHE A 104 31.220 -27.626 6.639 1.00 -0.11 C \nATOM 1638 HA PHE A 104 35.537 -29.524 4.698 1.00 0.10 H \nATOM 1639 HB2 PHE A 104 33.574 -30.497 3.674 1.00 0.03 H \nATOM 1640 HB3 PHE A 104 33.322 -31.589 5.077 1.00 0.03 H \nATOM 1641 HD2 PHE A 104 31.786 -30.947 6.692 1.00 0.13 H \nATOM 1642 HE2 PHE A 104 30.401 -29.232 7.785 1.00 0.14 H \nATOM 1643 HZ PHE A 104 30.596 -26.874 7.109 1.00 0.13 H \nATOM 1644 HE1 PHE A 104 32.226 -26.216 5.378 1.00 0.14 H \nATOM 1645 HD1 PHE A 104 33.631 -27.926 4.296 1.00 0.13 H \nATOM 1646 H PHE A 104 35.508 -32.299 4.115 1.00 0.27 H \nATOM 1647 N MET A 105 35.168 -31.503 7.337 1.00 -0.42 N \nATOM 1648 CA MET A 105 35.362 -31.552 8.784 1.00 -0.02 C \nATOM 1649 C MET A 105 36.750 -31.047 9.186 1.00 0.60 C \nATOM 1650 O MET A 105 36.888 -30.275 10.141 1.00 -0.57 O \nATOM 1651 CB MET A 105 35.112 -32.979 9.320 1.00 0.03 C \nATOM 1652 CG MET A 105 33.629 -33.400 9.257 1.00 0.00 C \nATOM 1653 SD MET A 105 33.307 -34.996 10.055 1.00 -0.27 S \nATOM 1654 CE MET A 105 34.378 -36.065 9.114 1.00 -0.05 C \nATOM 1655 HA MET A 105 34.619 -30.884 9.244 1.00 0.09 H \nATOM 1656 HB2 MET A 105 35.702 -33.687 8.719 1.00 0.02 H \nATOM 1657 HB3 MET A 105 35.444 -33.022 10.368 1.00 0.02 H \nATOM 1658 HG2 MET A 105 33.025 -32.630 9.759 1.00 0.04 H \nATOM 1659 HG3 MET A 105 33.330 -33.470 8.201 1.00 0.04 H \nATOM 1660 HE1 MET A 105 35.417 -35.718 9.208 1.00 0.07 H \nATOM 1661 HE2 MET A 105 34.299 -37.093 9.497 1.00 0.07 H \nATOM 1662 HE3 MET A 105 34.079 -36.044 8.056 1.00 0.07 H \nATOM 1663 H MET A 105 34.929 -32.341 6.847 1.00 0.27 H \nATOM 1664 N GLU A 106 37.778 -31.479 8.463 1.00 -0.52 N \nATOM 1665 CA GLU A 106 39.129 -30.990 8.729 1.00 0.04 C \nATOM 1666 C GLU A 106 39.135 -29.472 8.566 1.00 0.54 C \nATOM 1667 O GLU A 106 39.665 -28.741 9.398 1.00 -0.58 O \nATOM 1668 CB GLU A 106 40.148 -31.633 7.784 1.00 0.06 C \nATOM 1669 CG GLU A 106 40.456 -33.102 8.073 1.00 0.01 C \nATOM 1670 CD GLU A 106 41.376 -33.731 7.031 1.00 0.81 C \nATOM 1671 OE1 GLU A 106 41.664 -33.070 6.007 1.00 -0.82 O \nATOM 1672 OE2 GLU A 106 41.803 -34.890 7.236 1.00 -0.82 O \nATOM 1673 HA GLU A 106 39.403 -31.242 9.764 1.00 0.11 H \nATOM 1674 HB2 GLU A 106 39.756 -31.561 6.759 1.00 -0.02 H \nATOM 1675 HB3 GLU A 106 41.088 -31.066 7.858 1.00 -0.02 H \nATOM 1676 HG2 GLU A 106 40.941 -33.172 9.058 1.00 -0.04 H \nATOM 1677 HG3 GLU A 106 39.510 -33.662 8.090 1.00 -0.04 H \nATOM 1678 H GLU A 106 37.626 -32.144 7.732 1.00 0.29 H \nATOM 1679 N ALA A 107 38.513 -29.002 7.492 1.00 -0.42 N \nATOM 1680 CA ALA A 107 38.502 -27.581 7.200 1.00 0.03 C \nATOM 1681 C ALA A 107 37.743 -26.810 8.281 1.00 0.60 C \nATOM 1682 O ALA A 107 38.181 -25.747 8.721 1.00 -0.57 O \nATOM 1683 CB ALA A 107 37.905 -27.333 5.838 1.00 -0.18 C \nATOM 1684 HA ALA A 107 39.542 -27.223 7.190 1.00 0.08 H \nATOM 1685 HB1 ALA A 107 37.903 -26.253 5.630 1.00 0.06 H \nATOM 1686 HB2 ALA A 107 38.504 -27.852 5.075 1.00 0.06 H \nATOM 1687 HB3 ALA A 107 36.873 -27.713 5.815 1.00 0.06 H \nATOM 1688 H ALA A 107 38.046 -29.636 6.876 1.00 0.27 H \nATOM 1689 N LEU A 108 36.608 -27.357 8.708 1.00 -0.42 N \nATOM 1690 CA LEU A 108 35.796 -26.752 9.758 1.00 -0.05 C \nATOM 1691 C LEU A 108 36.575 -26.526 11.041 1.00 0.60 C \nATOM 1692 O LEU A 108 36.492 -25.463 11.654 1.00 -0.57 O \nATOM 1693 CB LEU A 108 34.613 -27.654 10.082 1.00 -0.11 C \nATOM 1694 CG LEU A 108 33.229 -27.215 9.653 1.00 0.35 C \nATOM 1695 CD1 LEU A 108 32.211 -28.006 10.470 1.00 -0.41 C \nATOM 1696 CD2 LEU A 108 33.040 -25.718 9.869 1.00 -0.41 C \nATOM 1697 HA LEU A 108 35.425 -25.782 9.394 1.00 0.09 H \nATOM 1698 HB2 LEU A 108 34.807 -28.627 9.606 1.00 0.05 H \nATOM 1699 HB3 LEU A 108 34.590 -27.778 11.175 1.00 0.05 H \nATOM 1700 HG LEU A 108 33.092 -27.438 8.585 1.00 -0.04 H \nATOM 1701 HD21 LEU A 108 33.791 -25.166 9.286 1.00 0.10 H \nATOM 1702 HD22 LEU A 108 32.032 -25.424 9.540 1.00 0.10 H \nATOM 1703 HD23 LEU A 108 33.160 -25.484 10.937 1.00 0.10 H \nATOM 1704 HD11 LEU A 108 32.367 -27.809 11.541 1.00 0.10 H \nATOM 1705 HD12 LEU A 108 31.194 -27.699 10.185 1.00 0.10 H \nATOM 1706 HD13 LEU A 108 32.338 -29.081 10.273 1.00 0.10 H \nATOM 1707 H LEU A 108 36.300 -28.214 8.294 1.00 0.27 H \nATOM 1708 N SER A 109 37.326 -27.539 11.452 1.00 -0.42 N \nATOM 1709 CA SER A 109 38.054 -27.471 12.701 1.00 -0.02 C \nATOM 1710 C SER A 109 39.237 -26.522 12.589 1.00 0.60 C \nATOM 1711 O SER A 109 39.832 -26.145 13.592 1.00 -0.57 O \nATOM 1712 CB SER A 109 38.545 -28.858 13.096 1.00 0.21 C \nATOM 1713 OG SER A 109 39.657 -29.238 12.304 1.00 -0.65 O \nATOM 1714 HA SER A 109 37.376 -27.098 13.483 1.00 0.08 H \nATOM 1715 HB2 SER A 109 38.842 -28.848 14.155 1.00 0.04 H \nATOM 1716 HB3 SER A 109 37.732 -29.584 12.950 1.00 0.04 H \nATOM 1717 HG SER A 109 39.949 -30.104 12.563 1.00 0.43 H \nATOM 1718 H SER A 109 37.390 -28.363 10.890 1.00 0.27 H \nATOM 1719 N ALA A 110 39.588 -26.149 11.362 1.00 -0.42 N \nATOM 1720 CA ALA A 110 40.710 -25.238 11.141 1.00 0.03 C \nATOM 1721 C ALA A 110 40.262 -23.779 11.117 1.00 0.60 C \nATOM 1722 O ALA A 110 41.088 -22.872 11.126 1.00 -0.57 O \nATOM 1723 CB ALA A 110 41.438 -25.585 9.857 1.00 -0.18 C \nATOM 1724 HA ALA A 110 41.414 -25.362 11.977 1.00 0.08 H \nATOM 1725 HB1 ALA A 110 42.277 -24.888 9.711 1.00 0.06 H \nATOM 1726 HB2 ALA A 110 41.823 -26.614 9.920 1.00 0.06 H \nATOM 1727 HB3 ALA A 110 40.743 -25.505 9.008 1.00 0.06 H \nATOM 1728 H ALA A 110 39.076 -26.497 10.577 1.00 0.27 H \nATOM 1729 N GLY A 111 38.954 -23.557 11.083 1.00 -0.42 N \nATOM 1730 CA GLY A 111 38.421 -22.208 11.128 1.00 -0.03 C \nATOM 1731 C GLY A 111 37.511 -21.876 9.966 1.00 0.60 C \nATOM 1732 O GLY A 111 37.007 -20.766 9.870 1.00 -0.57 O \nATOM 1733 HA3 GLY A 111 37.850 -22.091 12.061 1.00 0.07 H \nATOM 1734 HA2 GLY A 111 39.264 -21.501 11.122 1.00 0.07 H \nATOM 1735 H GLY A 111 38.325 -24.332 11.025 1.00 0.27 H \nATOM 1736 N ALA A 112 37.276 -22.842 9.084 1.00 -0.42 N \nATOM 1737 CA ALA A 112 36.462 -22.581 7.904 1.00 0.03 C \nATOM 1738 C ALA A 112 34.999 -22.283 8.244 1.00 0.60 C \nATOM 1739 O ALA A 112 34.428 -22.908 9.132 1.00 -0.57 O \nATOM 1740 CB ALA A 112 36.562 -23.746 6.924 1.00 -0.18 C \nATOM 1741 HA ALA A 112 36.873 -21.688 7.410 1.00 0.08 H \nATOM 1742 HB1 ALA A 112 35.943 -23.535 6.039 1.00 0.06 H \nATOM 1743 HB2 ALA A 112 37.610 -23.877 6.616 1.00 0.06 H \nATOM 1744 HB3 ALA A 112 36.205 -24.666 7.410 1.00 0.06 H \nATOM 1745 H ALA A 112 37.660 -23.753 9.231 1.00 0.27 H \nATOM 1746 N ASP A 113 34.412 -21.309 7.545 1.00 -0.52 N \nATOM 1747 CA ASP A 113 32.984 -20.987 7.648 1.00 0.04 C \nATOM 1748 C ASP A 113 32.156 -22.205 7.327 1.00 0.54 C \nATOM 1749 O ASP A 113 32.430 -22.875 6.344 1.00 -0.58 O \nATOM 1750 CB ASP A 113 32.593 -19.946 6.599 1.00 -0.03 C \nATOM 1751 CG ASP A 113 33.017 -18.549 6.963 1.00 0.80 C \nATOM 1752 OD1 ASP A 113 33.739 -18.387 7.964 1.00 -0.80 O \nATOM 1753 OD2 ASP A 113 32.631 -17.617 6.229 1.00 -0.80 O \nATOM 1754 HA ASP A 113 32.759 -20.620 8.660 1.00 0.09 H \nATOM 1755 HB2 ASP A 113 33.066 -20.217 5.644 1.00 -0.01 H \nATOM 1756 HB3 ASP A 113 31.499 -19.960 6.483 1.00 -0.01 H \nATOM 1757 H ASP A 113 34.975 -20.770 6.918 1.00 0.29 H \nATOM 1758 N VAL A 114 31.117 -22.472 8.107 1.00 -0.42 N \nATOM 1759 CA VAL A 114 30.241 -23.584 7.779 1.00 -0.09 C \nATOM 1760 C VAL A 114 29.681 -23.393 6.373 1.00 0.60 C \nATOM 1761 O VAL A 114 29.369 -24.360 5.674 1.00 -0.57 O \nATOM 1762 CB VAL A 114 29.104 -23.724 8.802 1.00 0.30 C \nATOM 1763 CG1 VAL A 114 28.202 -24.888 8.430 1.00 -0.32 C \nATOM 1764 CG2 VAL A 114 29.687 -23.926 10.192 1.00 -0.32 C \nATOM 1765 HA VAL A 114 30.834 -24.510 7.797 1.00 0.10 H \nATOM 1766 HB VAL A 114 28.507 -22.800 8.799 1.00 -0.03 H \nATOM 1767 HG11 VAL A 114 28.792 -25.816 8.406 1.00 0.08 H \nATOM 1768 HG12 VAL A 114 27.399 -24.983 9.176 1.00 0.08 H \nATOM 1769 HG13 VAL A 114 27.762 -24.708 7.438 1.00 0.08 H \nATOM 1770 HG21 VAL A 114 30.320 -23.065 10.453 1.00 0.08 H \nATOM 1771 HG22 VAL A 114 28.870 -24.016 10.923 1.00 0.08 H \nATOM 1772 HG23 VAL A 114 30.293 -24.844 10.206 1.00 0.08 H \nATOM 1773 H VAL A 114 30.938 -21.912 8.916 1.00 0.27 H \nATOM 1774 N SER A 115 29.568 -22.139 5.949 1.00 -0.42 N \nATOM 1775 CA SER A 115 28.979 -21.843 4.646 1.00 -0.02 C \nATOM 1776 C SER A 115 29.798 -22.385 3.480 1.00 0.60 C \nATOM 1777 O SER A 115 29.300 -22.446 2.356 1.00 -0.57 O \nATOM 1778 CB SER A 115 28.778 -20.330 4.466 1.00 0.21 C \nATOM 1779 OG SER A 115 30.034 -19.668 4.459 1.00 -0.65 O \nATOM 1780 HA SER A 115 27.991 -22.326 4.614 1.00 0.08 H \nATOM 1781 HB2 SER A 115 28.263 -20.142 3.513 1.00 0.04 H \nATOM 1782 HB3 SER A 115 28.167 -19.943 5.295 1.00 0.04 H \nATOM 1783 HG SER A 115 29.899 -18.734 4.347 1.00 0.43 H \nATOM 1784 H SER A 115 29.890 -21.390 6.528 1.00 0.27 H \nATOM 1785 N MET A 116 31.056 -22.757 3.731 1.00 -0.42 N \nATOM 1786 CA MET A 116 31.864 -23.423 2.708 1.00 -0.02 C \nATOM 1787 C MET A 116 31.379 -24.840 2.397 1.00 0.60 C \nATOM 1788 O MET A 116 31.823 -25.464 1.426 1.00 -0.57 O \nATOM 1789 CB MET A 116 33.343 -23.487 3.145 1.00 0.03 C \nATOM 1790 CG MET A 116 34.058 -22.160 3.025 1.00 0.00 C \nATOM 1791 SD MET A 116 35.839 -22.389 3.182 1.00 -0.27 S \nATOM 1792 CE MET A 116 36.166 -23.517 1.824 1.00 -0.05 C \nATOM 1793 HA MET A 116 31.796 -22.828 1.785 1.00 0.09 H \nATOM 1794 HB2 MET A 116 33.383 -23.812 4.195 1.00 0.02 H \nATOM 1795 HB3 MET A 116 33.863 -24.222 2.513 1.00 0.02 H \nATOM 1796 HG2 MET A 116 33.835 -21.716 2.044 1.00 0.04 H \nATOM 1797 HG3 MET A 116 33.708 -21.486 3.821 1.00 0.04 H \nATOM 1798 HE1 MET A 116 35.858 -23.050 0.877 1.00 0.07 H \nATOM 1799 HE2 MET A 116 37.242 -23.745 1.787 1.00 0.07 H \nATOM 1800 HE3 MET A 116 35.599 -24.447 1.976 1.00 0.07 H \nATOM 1801 H MET A 116 31.452 -22.578 4.632 1.00 0.27 H \nATOM 1802 N ILE A 117 30.475 -25.348 3.225 1.00 -0.42 N \nATOM 1803 CA ILE A 117 30.041 -26.746 3.137 1.00 -0.06 C \nATOM 1804 C ILE A 117 29.685 -27.184 1.709 1.00 0.60 C \nATOM 1805 O ILE A 117 29.943 -28.322 1.315 1.00 -0.57 O \nATOM 1806 CB ILE A 117 28.851 -27.012 4.091 1.00 0.13 C \nATOM 1807 CG1 ILE A 117 28.625 -28.515 4.283 1.00 -0.04 C \nATOM 1808 CG2 ILE A 117 27.600 -26.329 3.581 1.00 -0.32 C \nATOM 1809 CD1 ILE A 117 27.600 -28.825 5.361 1.00 -0.07 C \nATOM 1810 HA ILE A 117 30.884 -27.369 3.469 1.00 0.09 H \nATOM 1811 HB ILE A 117 29.098 -26.580 5.072 1.00 0.02 H \nATOM 1812 HG12 ILE A 117 28.274 -28.942 3.332 1.00 0.02 H \nATOM 1813 HG13 ILE A 117 29.581 -28.981 4.563 1.00 0.02 H \nATOM 1814 HD11 ILE A 117 26.637 -28.364 5.095 1.00 0.02 H \nATOM 1815 HD12 ILE A 117 27.474 -29.915 5.445 1.00 0.02 H \nATOM 1816 HD13 ILE A 117 27.947 -28.421 6.324 1.00 0.02 H \nATOM 1817 HG21 ILE A 117 27.357 -26.710 2.578 1.00 0.09 H \nATOM 1818 HG22 ILE A 117 26.764 -26.537 4.265 1.00 0.09 H \nATOM 1819 HG23 ILE A 117 27.770 -25.243 3.529 1.00 0.09 H \nATOM 1820 H ILE A 117 30.078 -24.760 3.930 1.00 0.27 H \nATOM 1821 N GLY A 118 29.102 -26.275 0.936 1.00 -0.42 N \nATOM 1822 CA GLY A 118 28.682 -26.569 -0.425 1.00 -0.03 C \nATOM 1823 C GLY A 118 29.838 -26.803 -1.379 1.00 0.60 C \nATOM 1824 O GLY A 118 29.729 -27.597 -2.306 1.00 -0.57 O \nATOM 1825 HA3 GLY A 118 28.056 -27.473 -0.408 1.00 0.07 H \nATOM 1826 HA2 GLY A 118 28.090 -25.720 -0.798 1.00 0.07 H \nATOM 1827 H GLY A 118 28.947 -25.357 1.302 1.00 0.27 H \nATOM 1828 N GLN A 119 30.954 -26.118 -1.145 1.00 -0.42 N \nATOM 1829 CA GLN A 119 32.161 -26.322 -1.951 1.00 -0.00 C \nATOM 1830 C GLN A 119 32.822 -27.696 -1.726 1.00 0.60 C \nATOM 1831 O GLN A 119 33.649 -28.140 -2.531 1.00 -0.57 O \nATOM 1832 CB GLN A 119 33.138 -25.168 -1.739 1.00 -0.00 C \nATOM 1833 CG GLN A 119 32.587 -23.856 -2.320 1.00 -0.06 C \nATOM 1834 CD GLN A 119 33.277 -22.621 -1.793 1.00 0.70 C \nATOM 1835 OE1 GLN A 119 32.749 -21.928 -0.922 1.00 -0.61 O \nATOM 1836 NE2 GLN A 119 34.452 -22.324 -2.329 1.00 -0.94 N \nATOM 1837 HA GLN A 119 31.850 -26.294 -3.006 1.00 0.09 H \nATOM 1838 HB2 GLN A 119 33.310 -25.038 -0.660 1.00 0.02 H \nATOM 1839 HB3 GLN A 119 34.090 -25.408 -2.236 1.00 0.02 H \nATOM 1840 HG2 GLN A 119 32.709 -23.882 -3.413 1.00 0.04 H \nATOM 1841 HG3 GLN A 119 31.517 -23.789 -2.072 1.00 0.04 H \nATOM 1842 HE22 GLN A 119 34.954 -21.517 -2.018 1.00 0.43 H \nATOM 1843 HE21 GLN A 119 34.837 -22.907 -3.045 1.00 0.43 H \nATOM 1844 H GLN A 119 30.970 -25.449 -0.402 1.00 0.27 H \nATOM 1845 N PHE A 120 32.432 -28.367 -0.645 1.00 -0.42 N \nATOM 1846 CA PHE A 120 32.932 -29.709 -0.349 1.00 -0.00 C \nATOM 1847 C PHE A 120 31.982 -30.820 -0.789 1.00 0.60 C \nATOM 1848 O PHE A 120 32.268 -32.006 -0.606 1.00 -0.57 O \nATOM 1849 CB PHE A 120 33.282 -29.843 1.146 1.00 -0.03 C \nATOM 1850 CG PHE A 120 34.549 -29.123 1.525 1.00 0.01 C \nATOM 1851 CD1 PHE A 120 34.536 -27.752 1.768 1.00 -0.13 C \nATOM 1852 CD2 PHE A 120 35.751 -29.799 1.593 1.00 -0.13 C \nATOM 1853 CE1 PHE A 120 35.690 -27.078 2.092 1.00 -0.17 C \nATOM 1854 CE2 PHE A 120 36.906 -29.129 1.920 1.00 -0.17 C \nATOM 1855 CZ PHE A 120 36.875 -27.764 2.174 1.00 -0.11 C \nATOM 1856 HA PHE A 120 33.863 -29.839 -0.920 1.00 0.10 H \nATOM 1857 HB2 PHE A 120 32.453 -29.427 1.738 1.00 0.03 H \nATOM 1858 HB3 PHE A 120 33.402 -30.910 1.383 1.00 0.03 H \nATOM 1859 HD2 PHE A 120 35.784 -30.863 1.388 1.00 0.13 H \nATOM 1860 HE2 PHE A 120 37.844 -29.668 1.980 1.00 0.14 H \nATOM 1861 HZ PHE A 120 37.787 -27.241 2.437 1.00 0.13 H \nATOM 1862 HE1 PHE A 120 35.663 -26.011 2.281 1.00 0.14 H \nATOM 1863 HD1 PHE A 120 33.601 -27.207 1.701 1.00 0.13 H \nATOM 1864 H PHE A 120 31.779 -27.942 -0.018 1.00 0.27 H \nATOM 1865 N GLY A 121 30.854 -30.428 -1.370 1.00 -0.42 N \nATOM 1866 CA GLY A 121 29.877 -31.373 -1.871 1.00 -0.03 C \nATOM 1867 C GLY A 121 29.119 -32.114 -0.787 1.00 0.60 C \nATOM 1868 O GLY A 121 28.641 -33.226 -1.007 1.00 -0.57 O \nATOM 1869 HA3 GLY A 121 29.150 -30.824 -2.487 1.00 0.07 H \nATOM 1870 HA2 GLY A 121 30.400 -32.113 -2.494 1.00 0.07 H \nATOM 1871 H GLY A 121 30.673 -29.449 -1.465 1.00 0.27 H \nATOM 1872 N VAL A 122 28.999 -31.514 0.390 1.00 -0.42 N \nATOM 1873 CA VAL A 122 28.176 -32.130 1.423 1.00 -0.09 C \nATOM 1874 C VAL A 122 27.161 -31.169 2.048 1.00 0.60 C \nATOM 1875 O VAL A 122 26.774 -31.313 3.213 1.00 -0.57 O \nATOM 1876 CB VAL A 122 29.044 -32.793 2.515 1.00 0.30 C \nATOM 1877 CG1 VAL A 122 29.775 -33.983 1.940 1.00 -0.32 C \nATOM 1878 CG2 VAL A 122 30.006 -31.792 3.099 1.00 -0.32 C \nATOM 1879 HA VAL A 122 27.600 -32.929 0.934 1.00 0.10 H \nATOM 1880 HB VAL A 122 28.383 -33.148 3.320 1.00 -0.03 H \nATOM 1881 HG11 VAL A 122 30.414 -33.654 1.108 1.00 0.08 H \nATOM 1882 HG12 VAL A 122 30.398 -34.443 2.721 1.00 0.08 H \nATOM 1883 HG13 VAL A 122 29.045 -34.719 1.573 1.00 0.08 H \nATOM 1884 HG21 VAL A 122 29.443 -30.954 3.536 1.00 0.08 H \nATOM 1885 HG22 VAL A 122 30.609 -32.276 3.881 1.00 0.08 H \nATOM 1886 HG23 VAL A 122 30.669 -31.415 2.306 1.00 0.08 H \nATOM 1887 H VAL A 122 29.468 -30.649 0.566 1.00 0.27 H \nATOM 1888 N GLY A 123 26.723 -30.191 1.264 1.00 -0.42 N \nATOM 1889 CA GLY A 123 25.825 -29.160 1.758 1.00 -0.03 C \nATOM 1890 C GLY A 123 24.434 -29.656 2.150 1.00 0.60 C \nATOM 1891 O GLY A 123 23.699 -28.970 2.859 1.00 -0.57 O \nATOM 1892 HA3 GLY A 123 26.287 -28.700 2.644 1.00 0.07 H \nATOM 1893 HA2 GLY A 123 25.708 -28.402 0.970 1.00 0.07 H \nATOM 1894 H GLY A 123 27.018 -30.163 0.309 1.00 0.27 H \nATOM 1895 N PHE A 124 24.072 -30.861 1.723 1.00 -0.42 N \nATOM 1896 CA PHE A 124 22.763 -31.395 2.098 1.00 -0.00 C \nATOM 1897 C PHE A 124 22.686 -31.435 3.613 1.00 0.60 C \nATOM 1898 O PHE A 124 21.638 -31.197 4.218 1.00 -0.57 O \nATOM 1899 CB PHE A 124 22.585 -32.817 1.546 1.00 -0.03 C \nATOM 1900 CG PHE A 124 21.489 -33.593 2.216 1.00 0.01 C \nATOM 1901 CD1 PHE A 124 20.158 -33.406 1.848 1.00 -0.13 C \nATOM 1902 CD2 PHE A 124 21.784 -34.516 3.204 1.00 -0.13 C \nATOM 1903 CE1 PHE A 124 19.140 -34.128 2.457 1.00 -0.17 C \nATOM 1904 CE2 PHE A 124 20.770 -35.245 3.824 1.00 -0.17 C \nATOM 1905 CZ PHE A 124 19.442 -35.052 3.444 1.00 -0.11 C \nATOM 1906 HA PHE A 124 21.970 -30.745 1.699 1.00 0.10 H \nATOM 1907 HB2 PHE A 124 22.354 -32.746 0.473 1.00 0.03 H \nATOM 1908 HB3 PHE A 124 23.530 -33.363 1.682 1.00 0.03 H \nATOM 1909 HD2 PHE A 124 22.815 -34.674 3.499 1.00 0.13 H \nATOM 1910 HE2 PHE A 124 21.014 -35.961 4.601 1.00 0.14 H \nATOM 1911 HZ PHE A 124 18.651 -35.622 3.918 1.00 0.13 H \nATOM 1912 HE1 PHE A 124 18.110 -33.969 2.160 1.00 0.14 H \nATOM 1913 HD1 PHE A 124 19.914 -32.686 1.075 1.00 0.13 H \nATOM 1914 H PHE A 124 24.690 -31.399 1.149 1.00 0.27 H \nATOM 1915 N TYR A 125 23.822 -31.718 4.239 1.00 -0.42 N \nATOM 1916 CA TYR A 125 23.819 -32.000 5.669 1.00 -0.00 C \nATOM 1917 C TYR A 125 23.696 -30.699 6.473 1.00 0.60 C \nATOM 1918 O TYR A 125 23.521 -30.729 7.694 1.00 -0.57 O \nATOM 1919 CB TYR A 125 25.067 -32.810 6.059 1.00 -0.02 C \nATOM 1920 CG TYR A 125 25.030 -34.225 5.475 1.00 -0.00 C \nATOM 1921 CD1 TYR A 125 24.328 -35.231 6.112 1.00 -0.19 C \nATOM 1922 CD2 TYR A 125 25.650 -34.525 4.270 1.00 -0.19 C \nATOM 1923 CE1 TYR A 125 24.250 -36.509 5.575 1.00 -0.23 C \nATOM 1924 CE2 TYR A 125 25.580 -35.801 3.725 1.00 -0.23 C \nATOM 1925 CZ TYR A 125 24.883 -36.785 4.385 1.00 0.32 C \nATOM 1926 OH TYR A 125 24.812 -38.055 3.854 1.00 -0.56 O \nATOM 1927 HA TYR A 125 22.936 -32.617 5.893 1.00 0.09 H \nATOM 1928 HB3 TYR A 125 25.961 -32.292 5.681 1.00 0.03 H \nATOM 1929 HB2 TYR A 125 25.119 -32.878 7.156 1.00 0.03 H \nATOM 1930 HD2 TYR A 125 26.198 -33.751 3.745 1.00 0.17 H \nATOM 1931 HE2 TYR A 125 26.072 -36.020 2.784 1.00 0.17 H \nATOM 1932 HE1 TYR A 125 23.694 -37.284 6.090 1.00 0.17 H \nATOM 1933 HD1 TYR A 125 23.828 -35.018 7.050 1.00 0.17 H \nATOM 1934 HH TYR A 125 24.297 -38.610 4.428 1.00 0.40 H \nATOM 1935 H TYR A 125 24.682 -31.738 3.728 1.00 0.27 H \nATOM 1936 N SER A 126 23.753 -29.564 5.786 1.00 -0.42 N \nATOM 1937 CA SER A 126 23.588 -28.283 6.466 1.00 -0.02 C \nATOM 1938 C SER A 126 22.183 -28.110 7.013 1.00 0.60 C \nATOM 1939 O SER A 126 21.954 -27.220 7.819 1.00 -0.57 O \nATOM 1940 CB SER A 126 23.916 -27.103 5.543 1.00 0.21 C \nATOM 1941 OG SER A 126 22.964 -26.952 4.503 1.00 -0.65 O \nATOM 1942 HA SER A 126 24.290 -28.262 7.312 1.00 0.08 H \nATOM 1943 HB2 SER A 126 23.935 -26.180 6.142 1.00 0.04 H \nATOM 1944 HB3 SER A 126 24.906 -27.270 5.094 1.00 0.04 H \nATOM 1945 HG SER A 126 23.205 -26.212 3.958 1.00 0.43 H \nATOM 1946 H SER A 126 23.910 -29.587 4.799 1.00 0.27 H \nATOM 1947 N LEU A 127 21.244 -28.947 6.576 1.00 -0.42 N \nATOM 1948 CA LEU A 127 19.850 -28.826 7.044 1.00 -0.05 C \nATOM 1949 C LEU A 127 19.812 -29.125 8.540 1.00 0.60 C \nATOM 1950 O LEU A 127 18.883 -28.751 9.245 1.00 -0.57 O \nATOM 1951 CB LEU A 127 18.948 -29.778 6.271 1.00 -0.11 C \nATOM 1952 CG LEU A 127 19.195 -31.278 6.478 1.00 0.35 C \nATOM 1953 CD1 LEU A 127 18.417 -31.784 7.694 1.00 -0.41 C \nATOM 1954 CD2 LEU A 127 18.794 -32.035 5.225 1.00 -0.41 C \nATOM 1955 HA LEU A 127 19.501 -27.797 6.876 1.00 0.09 H \nATOM 1956 HB2 LEU A 127 17.909 -29.567 6.566 1.00 0.05 H \nATOM 1957 HB3 LEU A 127 19.076 -29.563 5.200 1.00 0.05 H \nATOM 1958 HG LEU A 127 20.268 -31.439 6.659 1.00 -0.04 H \nATOM 1959 HD21 LEU A 127 19.386 -31.672 4.372 1.00 0.10 H \nATOM 1960 HD22 LEU A 127 18.981 -33.109 5.370 1.00 0.10 H \nATOM 1961 HD23 LEU A 127 17.725 -31.873 5.025 1.00 0.10 H \nATOM 1962 HD11 LEU A 127 17.342 -31.607 7.541 1.00 0.10 H \nATOM 1963 HD12 LEU A 127 18.597 -32.862 7.822 1.00 0.10 H \nATOM 1964 HD13 LEU A 127 18.753 -31.247 8.593 1.00 0.10 H \nATOM 1965 H LEU A 127 21.486 -29.665 5.924 1.00 0.27 H \nATOM 1966 N PHE A 128 20.861 -29.771 9.039 1.00 -0.42 N \nATOM 1967 CA PHE A 128 20.886 -30.103 10.450 1.00 -0.00 C \nATOM 1968 C PHE A 128 21.233 -28.912 11.342 1.00 0.60 C \nATOM 1969 O PHE A 128 21.221 -29.023 12.566 1.00 -0.57 O \nATOM 1970 CB PHE A 128 21.787 -31.299 10.717 1.00 -0.03 C \nATOM 1971 CG PHE A 128 21.179 -32.611 10.313 1.00 0.01 C \nATOM 1972 CD1 PHE A 128 20.122 -33.145 11.025 1.00 -0.13 C \nATOM 1973 CD2 PHE A 128 21.674 -33.314 9.232 1.00 -0.13 C \nATOM 1974 CE1 PHE A 128 19.570 -34.360 10.665 1.00 -0.17 C \nATOM 1975 CE2 PHE A 128 21.123 -34.530 8.866 1.00 -0.17 C \nATOM 1976 CZ PHE A 128 20.070 -35.049 9.584 1.00 -0.11 C \nATOM 1977 HA PHE A 128 19.864 -30.407 10.720 1.00 0.10 H \nATOM 1978 HB2 PHE A 128 22.723 -31.162 10.156 1.00 0.03 H \nATOM 1979 HB3 PHE A 128 22.008 -31.335 11.794 1.00 0.03 H \nATOM 1980 HD2 PHE A 128 22.503 -32.909 8.664 1.00 0.13 H \nATOM 1981 HE2 PHE A 128 21.520 -35.072 8.016 1.00 0.14 H \nATOM 1982 HZ PHE A 128 19.635 -36.000 9.298 1.00 0.13 H \nATOM 1983 HE1 PHE A 128 18.743 -34.770 11.234 1.00 0.14 H \nATOM 1984 HD1 PHE A 128 19.721 -32.605 11.875 1.00 0.13 H \nATOM 1985 H PHE A 128 21.626 -30.026 8.447 1.00 0.27 H \nATOM 1986 N LEU A 129 21.505 -27.763 10.728 1.00 -0.42 N \nATOM 1987 CA LEU A 129 21.662 -26.525 11.495 1.00 -0.05 C \nATOM 1988 C LEU A 129 20.327 -26.134 12.125 1.00 0.60 C \nATOM 1989 O LEU A 129 20.267 -25.741 13.289 1.00 -0.57 O \nATOM 1990 CB LEU A 129 22.172 -25.396 10.589 1.00 -0.11 C \nATOM 1991 CG LEU A 129 23.619 -25.629 10.108 1.00 0.35 C \nATOM 1992 CD1 LEU A 129 24.015 -24.667 9.001 1.00 -0.41 C \nATOM 1993 CD2 LEU A 129 24.575 -25.511 11.275 1.00 -0.41 C \nATOM 1994 HA LEU A 129 22.397 -26.695 12.296 1.00 0.09 H \nATOM 1995 HB2 LEU A 129 21.515 -25.326 9.709 1.00 0.05 H \nATOM 1996 HB3 LEU A 129 22.135 -24.450 11.150 1.00 0.05 H \nATOM 1997 HG LEU A 129 23.685 -26.652 9.708 1.00 -0.04 H \nATOM 1998 HD21 LEU A 129 24.314 -26.257 12.040 1.00 0.10 H \nATOM 1999 HD22 LEU A 129 25.603 -25.688 10.926 1.00 0.10 H \nATOM 2000 HD23 LEU A 129 24.503 -24.502 11.707 1.00 0.10 H \nATOM 2001 HD11 LEU A 129 23.929 -23.633 9.366 1.00 0.10 H \nATOM 2002 HD12 LEU A 129 25.054 -24.864 8.699 1.00 0.10 H \nATOM 2003 HD13 LEU A 129 23.349 -24.808 8.137 1.00 0.10 H \nATOM 2004 H LEU A 129 21.603 -27.745 9.733 1.00 0.27 H \nATOM 2005 N VAL A 130 19.251 -26.258 11.352 1.00 -0.42 N \nATOM 2006 CA VAL A 130 17.940 -25.803 11.804 1.00 -0.09 C \nATOM 2007 C VAL A 130 16.930 -26.906 12.093 1.00 0.60 C \nATOM 2008 O VAL A 130 15.858 -26.627 12.630 1.00 -0.57 O \nATOM 2009 CB VAL A 130 17.310 -24.860 10.775 1.00 0.30 C \nATOM 2010 CG1 VAL A 130 18.200 -23.618 10.578 1.00 -0.32 C \nATOM 2011 CG2 VAL A 130 17.090 -25.604 9.456 1.00 -0.32 C \nATOM 2012 HA VAL A 130 18.099 -25.245 12.738 1.00 0.10 H \nATOM 2013 HB VAL A 130 16.332 -24.528 11.154 1.00 -0.03 H \nATOM 2014 HG11 VAL A 130 19.195 -23.932 10.230 1.00 0.08 H \nATOM 2015 HG12 VAL A 130 17.742 -22.954 9.830 1.00 0.08 H \nATOM 2016 HG13 VAL A 130 18.298 -23.082 11.533 1.00 0.08 H \nATOM 2017 HG21 VAL A 130 16.427 -26.465 9.627 1.00 0.08 H \nATOM 2018 HG22 VAL A 130 16.628 -24.925 8.724 1.00 0.08 H \nATOM 2019 HG23 VAL A 130 18.057 -25.957 9.069 1.00 0.08 H \nATOM 2020 H VAL A 130 19.342 -26.670 10.445 1.00 0.27 H \nATOM 2021 N ALA A 131 17.253 -28.150 11.738 1.00 -0.42 N \nATOM 2022 CA ALA A 131 16.291 -29.238 11.900 1.00 0.03 C \nATOM 2023 C ALA A 131 16.913 -30.419 12.630 1.00 0.60 C \nATOM 2024 O ALA A 131 18.097 -30.705 12.469 1.00 -0.57 O \nATOM 2025 CB ALA A 131 15.747 -29.679 10.529 1.00 -0.18 C \nATOM 2026 HA ALA A 131 15.450 -28.866 12.503 1.00 0.08 H \nATOM 2027 HB1 ALA A 131 15.025 -30.497 10.667 1.00 0.06 H \nATOM 2028 HB2 ALA A 131 15.248 -28.828 10.042 1.00 0.06 H \nATOM 2029 HB3 ALA A 131 16.579 -30.026 9.899 1.00 0.06 H \nATOM 2030 H ALA A 131 18.159 -28.340 11.359 1.00 0.27 H \nATOM 2031 N ASP A 132 16.124 -31.107 13.443 1.00 -0.52 N \nATOM 2032 CA ASP A 132 16.653 -32.262 14.158 1.00 0.04 C \nATOM 2033 C ASP A 132 16.148 -33.557 13.539 1.00 0.54 C \nATOM 2034 O ASP A 132 16.433 -34.649 14.018 1.00 -0.58 O \nATOM 2035 CB ASP A 132 16.299 -32.185 15.643 1.00 -0.03 C \nATOM 2036 CG ASP A 132 14.807 -32.078 15.880 1.00 0.80 C \nATOM 2037 OD1 ASP A 132 14.066 -31.791 14.918 1.00 -0.80 O \nATOM 2038 OD2 ASP A 132 14.373 -32.277 17.033 1.00 -0.80 O \nATOM 2039 HA ASP A 132 17.749 -32.247 14.068 1.00 0.09 H \nATOM 2040 HB2 ASP A 132 16.671 -33.092 16.142 1.00 -0.01 H \nATOM 2041 HB3 ASP A 132 16.789 -31.301 16.077 1.00 -0.01 H \nATOM 2042 H ASP A 132 15.170 -30.835 13.565 1.00 0.29 H \nATOM 2043 N ARG A 133 15.400 -33.426 12.454 1.00 -0.35 N \nATOM 2044 CA ARG A 133 14.825 -34.585 11.782 1.00 -0.26 C \nATOM 2045 C ARG A 133 14.440 -34.166 10.373 1.00 0.73 C \nATOM 2046 O ARG A 133 14.105 -33.011 10.138 1.00 -0.59 O \nATOM 2047 CB ARG A 133 13.613 -35.097 12.561 1.00 -0.00 C \nATOM 2048 CG ARG A 133 12.862 -36.251 11.938 1.00 0.04 C \nATOM 2049 CD ARG A 133 11.561 -36.504 12.720 1.00 0.05 C \nATOM 2050 NE ARG A 133 10.672 -37.445 12.045 1.00 -0.53 N \nATOM 2051 CZ ARG A 133 9.398 -37.642 12.377 1.00 0.81 C \nATOM 2052 NH1 ARG A 133 8.857 -36.954 13.377 1.00 -0.86 N \nATOM 2053 NH2 ARG A 133 8.661 -38.528 11.708 1.00 -0.86 N \nATOM 2054 HA ARG A 133 15.576 -35.387 11.728 1.00 0.16 H \nATOM 2055 HB2 ARG A 133 13.963 -35.420 13.553 1.00 0.03 H \nATOM 2056 HB3 ARG A 133 12.909 -34.260 12.675 1.00 0.03 H \nATOM 2057 HG2 ARG A 133 12.619 -36.008 10.893 1.00 0.03 H \nATOM 2058 HG3 ARG A 133 13.489 -37.154 11.968 1.00 0.03 H \nATOM 2059 HD2 ARG A 133 11.818 -36.911 13.709 1.00 0.07 H \nATOM 2060 HD3 ARG A 133 11.033 -35.547 12.843 1.00 0.07 H \nATOM 2061 HE ARG A 133 11.055 -37.992 11.261 1.00 0.35 H \nATOM 2062 HH12 ARG A 133 7.871 -37.107 13.633 1.00 0.45 H \nATOM 2063 HH11 ARG A 133 9.423 -36.268 13.896 1.00 0.45 H \nATOM 2064 HH22 ARG A 133 7.676 -38.678 11.967 1.00 0.45 H \nATOM 2065 HH21 ARG A 133 9.077 -39.062 10.932 1.00 0.45 H \nATOM 2066 H ARG A 133 15.226 -32.512 12.088 1.00 0.27 H \nATOM 2067 N VAL A 134 14.507 -35.105 9.440 1.00 -0.42 N \nATOM 2068 CA VAL A 134 14.301 -34.789 8.036 1.00 -0.09 C \nATOM 2069 C VAL A 134 13.768 -36.004 7.294 1.00 0.60 C \nATOM 2070 O VAL A 134 14.176 -37.138 7.547 1.00 -0.57 O \nATOM 2071 CB VAL A 134 15.606 -34.306 7.363 1.00 0.30 C \nATOM 2072 CG1 VAL A 134 16.753 -35.299 7.611 1.00 -0.32 C \nATOM 2073 CG2 VAL A 134 15.390 -34.077 5.862 1.00 -0.32 C \nATOM 2074 HA VAL A 134 13.557 -33.982 7.970 1.00 0.10 H \nATOM 2075 HB VAL A 134 15.887 -33.344 7.817 1.00 -0.03 H \nATOM 2076 HG11 VAL A 134 16.480 -36.284 7.204 1.00 0.08 H \nATOM 2077 HG12 VAL A 134 17.665 -34.937 7.114 1.00 0.08 H \nATOM 2078 HG13 VAL A 134 16.935 -35.386 8.692 1.00 0.08 H \nATOM 2079 HG21 VAL A 134 14.604 -33.321 5.716 1.00 0.08 H \nATOM 2080 HG22 VAL A 134 16.327 -33.725 5.406 1.00 0.08 H \nATOM 2081 HG23 VAL A 134 15.084 -35.021 5.387 1.00 0.08 H \nATOM 2082 H VAL A 134 14.703 -36.049 9.707 1.00 0.27 H \nATOM 2083 N GLN A 135 12.810 -35.765 6.407 1.00 -0.42 N \nATOM 2084 CA GLN A 135 12.392 -36.784 5.463 1.00 -0.00 C \nATOM 2085 C GLN A 135 12.714 -36.266 4.075 1.00 0.60 C \nATOM 2086 O GLN A 135 12.490 -35.081 3.766 1.00 -0.57 O \nATOM 2087 CB GLN A 135 10.890 -37.080 5.597 1.00 -0.00 C \nATOM 2088 CG GLN A 135 10.519 -37.890 6.843 1.00 -0.06 C \nATOM 2089 CD GLN A 135 9.013 -37.909 7.111 1.00 0.70 C \nATOM 2090 OE1 GLN A 135 8.220 -37.421 6.306 1.00 -0.61 O \nATOM 2091 NE2 GLN A 135 8.622 -38.461 8.253 1.00 -0.94 N \nATOM 2092 HA GLN A 135 12.954 -37.711 5.650 1.00 0.09 H \nATOM 2093 HB2 GLN A 135 10.351 -36.122 5.635 1.00 0.02 H \nATOM 2094 HB3 GLN A 135 10.569 -37.645 4.710 1.00 0.02 H \nATOM 2095 HG2 GLN A 135 10.865 -38.925 6.705 1.00 0.04 H \nATOM 2096 HG3 GLN A 135 11.025 -37.447 7.714 1.00 0.04 H \nATOM 2097 HE22 GLN A 135 7.649 -38.502 8.482 1.00 0.43 H \nATOM 2098 HE21 GLN A 135 9.300 -38.836 8.885 1.00 0.43 H \nATOM 2099 H GLN A 135 12.369 -34.868 6.389 1.00 0.27 H \nATOM 2100 N VAL A 136 13.281 -37.141 3.256 1.00 -0.42 N \nATOM 2101 CA VAL A 136 13.559 -36.829 1.862 1.00 -0.09 C \nATOM 2102 C VAL A 136 12.629 -37.733 1.082 1.00 0.60 C \nATOM 2103 O VAL A 136 12.711 -38.973 1.171 1.00 -0.57 O \nATOM 2104 CB VAL A 136 15.063 -37.048 1.500 1.00 0.30 C \nATOM 2105 CG1 VAL A 136 15.293 -37.045 -0.004 1.00 -0.32 C \nATOM 2106 CG2 VAL A 136 15.905 -35.989 2.140 1.00 -0.32 C \nATOM 2107 HA VAL A 136 13.308 -35.777 1.659 1.00 0.10 H \nATOM 2108 HB VAL A 136 15.371 -38.028 1.894 1.00 -0.03 H \nATOM 2109 HG11 VAL A 136 14.967 -36.082 -0.423 1.00 0.08 H \nATOM 2110 HG12 VAL A 136 16.363 -37.192 -0.212 1.00 0.08 H \nATOM 2111 HG13 VAL A 136 14.715 -37.860 -0.465 1.00 0.08 H \nATOM 2112 HG21 VAL A 136 15.778 -36.030 3.232 1.00 0.08 H \nATOM 2113 HG22 VAL A 136 16.962 -36.158 1.887 1.00 0.08 H \nATOM 2114 HG23 VAL A 136 15.594 -35.001 1.771 1.00 0.08 H \nATOM 2115 H VAL A 136 13.526 -38.045 3.608 1.00 0.27 H \nATOM 2116 N ILE A 137 11.677 -37.106 0.406 1.00 -0.42 N \nATOM 2117 CA ILE A 137 10.638 -37.819 -0.317 1.00 -0.06 C \nATOM 2118 C ILE A 137 10.906 -37.618 -1.786 1.00 0.60 C \nATOM 2119 O ILE A 137 10.972 -36.472 -2.257 1.00 -0.57 O \nATOM 2120 CB ILE A 137 9.265 -37.227 0.020 1.00 0.13 C \nATOM 2121 CG1 ILE A 137 9.030 -37.313 1.527 1.00 -0.04 C \nATOM 2122 CG2 ILE A 137 8.170 -37.941 -0.766 1.00 -0.32 C \nATOM 2123 CD1 ILE A 137 7.955 -36.406 2.045 1.00 -0.07 C \nATOM 2124 HA ILE A 137 10.660 -38.889 -0.062 1.00 0.09 H \nATOM 2125 HB ILE A 137 9.259 -36.166 -0.271 1.00 0.02 H \nATOM 2126 HG12 ILE A 137 8.752 -38.349 1.772 1.00 0.02 H \nATOM 2127 HG13 ILE A 137 9.971 -37.055 2.036 1.00 0.02 H \nATOM 2128 HD11 ILE A 137 7.002 -36.648 1.552 1.00 0.02 H \nATOM 2129 HD12 ILE A 137 7.851 -36.544 3.131 1.00 0.02 H \nATOM 2130 HD13 ILE A 137 8.223 -35.361 1.832 1.00 0.02 H \nATOM 2131 HG21 ILE A 137 8.178 -39.012 -0.516 1.00 0.09 H \nATOM 2132 HG22 ILE A 137 7.192 -37.511 -0.505 1.00 0.09 H \nATOM 2133 HG23 ILE A 137 8.350 -37.814 -1.844 1.00 0.09 H \nATOM 2134 H ILE A 137 11.674 -36.106 0.393 1.00 0.27 H \nATOM 2135 N SER A 138 11.060 -38.709 -2.525 1.00 -0.42 N \nATOM 2136 CA SER A 138 11.582 -38.563 -3.873 1.00 -0.02 C \nATOM 2137 C SER A 138 10.970 -39.527 -4.875 1.00 0.60 C \nATOM 2138 O SER A 138 10.746 -40.704 -4.580 1.00 -0.57 O \nATOM 2139 CB SER A 138 13.112 -38.683 -3.857 1.00 0.21 C \nATOM 2140 OG SER A 138 13.688 -38.219 -5.078 1.00 -0.65 O \nATOM 2141 HA SER A 138 11.330 -37.547 -4.210 1.00 0.08 H \nATOM 2142 HB2 SER A 138 13.509 -38.083 -3.025 1.00 0.04 H \nATOM 2143 HB3 SER A 138 13.386 -39.738 -3.711 1.00 0.04 H \nATOM 2144 HG SER A 138 14.633 -38.307 -5.036 1.00 0.43 H \nATOM 2145 H SER A 138 10.822 -39.610 -2.163 1.00 0.27 H \nATOM 2146 N LYS A 139 10.712 -39.003 -6.070 1.00 -0.35 N \nATOM 2147 CA LYS A 139 10.163 -39.779 -7.166 1.00 -0.24 C \nATOM 2148 C LYS A 139 10.996 -39.535 -8.422 1.00 0.73 C \nATOM 2149 O LYS A 139 11.072 -38.415 -8.946 1.00 -0.59 O \nATOM 2150 CB LYS A 139 8.704 -39.400 -7.397 1.00 -0.01 C \nATOM 2151 CG LYS A 139 8.057 -40.075 -8.593 1.00 0.02 C \nATOM 2152 CD LYS A 139 7.847 -41.578 -8.378 1.00 -0.05 C \nATOM 2153 CE LYS A 139 7.223 -42.236 -9.611 1.00 -0.01 C \nATOM 2154 NZ LYS A 139 8.133 -42.204 -10.807 1.00 -0.39 N \nATOM 2155 HA LYS A 139 10.213 -40.847 -6.909 1.00 0.14 H \nATOM 2156 HB2 LYS A 139 8.132 -39.673 -6.498 1.00 0.04 H \nATOM 2157 HB3 LYS A 139 8.652 -38.312 -7.548 1.00 0.04 H \nATOM 2158 HG2 LYS A 139 7.080 -39.605 -8.777 1.00 0.01 H \nATOM 2159 HG3 LYS A 139 8.704 -39.932 -9.471 1.00 0.01 H \nATOM 2160 HD2 LYS A 139 8.819 -42.050 -8.174 1.00 0.06 H \nATOM 2161 HD3 LYS A 139 7.179 -41.727 -7.516 1.00 0.06 H \nATOM 2162 HE2 LYS A 139 6.992 -43.285 -9.372 1.00 0.11 H \nATOM 2163 HE3 LYS A 139 6.293 -41.704 -9.862 1.00 0.11 H \nATOM 2164 HZ1 LYS A 139 8.991 -42.687 -10.590 1.00 0.34 H \nATOM 2165 HZ2 LYS A 139 7.680 -42.656 -11.586 1.00 0.34 H \nATOM 2166 HZ3 LYS A 139 8.338 -41.247 -11.047 1.00 0.34 H \nATOM 2167 H LYS A 139 10.905 -38.033 -6.219 1.00 0.27 H \nATOM 2168 N SER A 140 11.670 -40.582 -8.870 1.00 -0.42 N \nATOM 2169 CA SER A 140 12.440 -40.521 -10.097 1.00 -0.02 C \nATOM 2170 C SER A 140 11.586 -41.226 -11.131 1.00 0.60 C \nATOM 2171 O SER A 140 10.851 -42.144 -10.786 1.00 -0.57 O \nATOM 2172 CB SER A 140 13.794 -41.224 -9.904 1.00 0.21 C \nATOM 2173 OG SER A 140 14.299 -41.757 -11.119 1.00 -0.65 O \nATOM 2174 HA SER A 140 12.613 -39.476 -10.394 1.00 0.08 H \nATOM 2175 HB2 SER A 140 14.518 -40.496 -9.508 1.00 0.04 H \nATOM 2176 HB3 SER A 140 13.668 -42.045 -9.183 1.00 0.04 H \nATOM 2177 HG SER A 140 15.133 -42.181 -10.956 1.00 0.43 H \nATOM 2178 H SER A 140 11.648 -41.436 -8.350 1.00 0.27 H \nATOM 2179 N ASN A 141 11.641 -40.778 -12.383 1.00 -0.42 N \nATOM 2180 CA ASN A 141 10.934 -41.463 -13.457 1.00 0.01 C \nATOM 2181 C ASN A 141 11.276 -42.941 -13.490 1.00 0.60 C \nATOM 2182 O ASN A 141 10.551 -43.741 -14.072 1.00 -0.57 O \nATOM 2183 CB ASN A 141 11.269 -40.842 -14.817 1.00 -0.20 C \nATOM 2184 CG ASN A 141 10.623 -39.484 -15.014 1.00 0.71 C \nATOM 2185 OD1 ASN A 141 9.720 -39.092 -14.262 1.00 -0.59 O \nATOM 2186 ND2 ASN A 141 11.059 -38.770 -16.047 1.00 -0.92 N \nATOM 2187 HA ASN A 141 9.854 -41.358 -13.279 1.00 0.10 H \nATOM 2188 HB2 ASN A 141 12.360 -40.727 -14.892 1.00 0.08 H \nATOM 2189 HB3 ASN A 141 10.916 -41.518 -15.609 1.00 0.08 H \nATOM 2190 HD22 ASN A 141 10.672 -37.866 -16.229 1.00 0.42 H \nATOM 2191 HD21 ASN A 141 11.774 -39.137 -16.642 1.00 0.42 H \nATOM 2192 H ASN A 141 12.176 -39.959 -12.590 1.00 0.27 H \nATOM 2193 N ASP A 142 12.399 -43.295 -12.879 1.00 -0.52 N \nATOM 2194 CA ASP A 142 12.886 -44.663 -12.951 1.00 0.04 C \nATOM 2195 C ASP A 142 12.433 -45.545 -11.786 1.00 0.54 C \nATOM 2196 O ASP A 142 12.702 -46.740 -11.782 1.00 -0.58 O \nATOM 2197 CB ASP A 142 14.414 -44.673 -13.058 1.00 -0.03 C \nATOM 2198 CG ASP A 142 14.909 -44.080 -14.359 1.00 0.80 C \nATOM 2199 OD1 ASP A 142 14.184 -44.185 -15.366 1.00 -0.80 O \nATOM 2200 OD2 ASP A 142 16.028 -43.520 -14.381 1.00 -0.80 O \nATOM 2201 HA ASP A 142 12.478 -45.106 -13.872 1.00 0.09 H \nATOM 2202 HB2 ASP A 142 14.830 -44.089 -12.224 1.00 -0.01 H \nATOM 2203 HB3 ASP A 142 14.765 -45.713 -12.988 1.00 -0.01 H \nATOM 2204 H ASP A 142 12.917 -42.613 -12.363 1.00 0.29 H \nATOM 2205 N ASP A 143 11.751 -44.978 -10.795 1.00 -0.52 N \nATOM 2206 CA ASP A 143 11.372 -45.780 -9.622 1.00 0.04 C \nATOM 2207 C ASP A 143 10.024 -45.367 -9.032 1.00 0.54 C \nATOM 2208 O ASP A 143 9.357 -44.467 -9.540 1.00 -0.58 O \nATOM 2209 CB ASP A 143 12.456 -45.684 -8.538 1.00 -0.03 C \nATOM 2210 CG ASP A 143 12.631 -46.985 -7.747 1.00 0.80 C \nATOM 2211 OD1 ASP A 143 11.717 -47.836 -7.767 1.00 -0.80 O \nATOM 2212 OD2 ASP A 143 13.693 -47.150 -7.101 1.00 -0.80 O \nATOM 2213 HA ASP A 143 11.294 -46.829 -9.944 1.00 0.09 H \nATOM 2214 HB2 ASP A 143 13.413 -45.436 -9.021 1.00 -0.01 H \nATOM 2215 HB3 ASP A 143 12.180 -44.882 -7.837 1.00 -0.01 H \nATOM 2216 H ASP A 143 11.497 -44.012 -10.847 1.00 0.29 H \nATOM 2217 N GLU A 144 9.638 -46.037 -7.952 1.00 -0.52 N \nATOM 2218 CA GLU A 144 8.467 -45.658 -7.175 1.00 0.04 C \nATOM 2219 C GLU A 144 8.861 -44.519 -6.238 1.00 0.54 C \nATOM 2220 O GLU A 144 10.049 -44.241 -6.062 1.00 -0.58 O \nATOM 2221 CB GLU A 144 7.998 -46.847 -6.341 1.00 0.06 C \nATOM 2222 CG GLU A 144 7.680 -48.105 -7.153 1.00 0.01 C \nATOM 2223 CD GLU A 144 6.421 -47.949 -7.980 1.00 0.81 C \nATOM 2224 OE1 GLU A 144 5.315 -48.050 -7.409 1.00 -0.82 O \nATOM 2225 OE2 GLU A 144 6.535 -47.714 -9.200 1.00 -0.82 O \nATOM 2226 HA GLU A 144 7.660 -45.332 -7.847 1.00 0.11 H \nATOM 2227 HB2 GLU A 144 8.791 -47.095 -5.620 1.00 -0.02 H \nATOM 2228 HB3 GLU A 144 7.089 -46.549 -5.799 1.00 -0.02 H \nATOM 2229 HG2 GLU A 144 8.523 -48.314 -7.828 1.00 -0.04 H \nATOM 2230 HG3 GLU A 144 7.547 -48.949 -6.461 1.00 -0.04 H \nATOM 2231 H GLU A 144 10.172 -46.831 -7.662 1.00 0.29 H \nATOM 2232 N GLN A 145 7.874 -43.881 -5.618 1.00 -0.42 N \nATOM 2233 CA GLN A 145 8.148 -42.831 -4.633 1.00 -0.00 C \nATOM 2234 C GLN A 145 8.648 -43.472 -3.330 1.00 0.60 C \nATOM 2235 O GLN A 145 8.073 -44.446 -2.863 1.00 -0.57 O \nATOM 2236 CB GLN A 145 6.887 -41.989 -4.391 1.00 -0.00 C \nATOM 2237 CG GLN A 145 7.139 -40.640 -3.709 1.00 -0.06 C \nATOM 2238 CD GLN A 145 5.939 -39.677 -3.783 1.00 0.70 C \nATOM 2239 OE1 GLN A 145 5.448 -39.343 -4.863 1.00 -0.61 O \nATOM 2240 NE2 GLN A 145 5.479 -39.227 -2.626 1.00 -0.94 N \nATOM 2241 HA GLN A 145 8.937 -42.172 -5.026 1.00 0.09 H \nATOM 2242 HB2 GLN A 145 6.411 -41.797 -5.364 1.00 0.02 H \nATOM 2243 HB3 GLN A 145 6.203 -42.571 -3.756 1.00 0.02 H \nATOM 2244 HG2 GLN A 145 7.372 -40.824 -2.650 1.00 0.04 H \nATOM 2245 HG3 GLN A 145 8.001 -40.160 -4.196 1.00 0.04 H \nATOM 2246 HE22 GLN A 145 4.701 -38.598 -2.607 1.00 0.43 H \nATOM 2247 HE21 GLN A 145 5.909 -39.516 -1.771 1.00 0.43 H \nATOM 2248 H GLN A 145 6.926 -44.122 -5.827 1.00 0.27 H \nATOM 2249 N TYR A 146 9.722 -42.934 -2.756 1.00 -0.42 N \nATOM 2250 CA TYR A 146 10.305 -43.485 -1.524 1.00 -0.00 C \nATOM 2251 C TYR A 146 10.540 -42.403 -0.492 1.00 0.60 C \nATOM 2252 O TYR A 146 10.690 -41.235 -0.851 1.00 -0.57 O \nATOM 2253 CB TYR A 146 11.630 -44.199 -1.815 1.00 -0.02 C \nATOM 2254 CG TYR A 146 11.438 -45.613 -2.337 1.00 -0.00 C \nATOM 2255 CD1 TYR A 146 11.263 -45.856 -3.696 1.00 -0.19 C \nATOM 2256 CD2 TYR A 146 11.409 -46.692 -1.465 1.00 -0.19 C \nATOM 2257 CE1 TYR A 146 11.064 -47.139 -4.178 1.00 -0.23 C \nATOM 2258 CE2 TYR A 146 11.217 -47.982 -1.930 1.00 -0.23 C \nATOM 2259 CZ TYR A 146 11.045 -48.200 -3.284 1.00 0.32 C \nATOM 2260 OH TYR A 146 10.860 -49.479 -3.746 1.00 -0.56 O \nATOM 2261 HA TYR A 146 9.597 -44.216 -1.108 1.00 0.09 H \nATOM 2262 HB3 TYR A 146 12.183 -43.619 -2.568 1.00 0.03 H \nATOM 2263 HB2 TYR A 146 12.216 -44.245 -0.885 1.00 0.03 H \nATOM 2264 HD2 TYR A 146 11.539 -46.522 -0.402 1.00 0.17 H \nATOM 2265 HE2 TYR A 146 11.202 -48.815 -1.237 1.00 0.17 H \nATOM 2266 HE1 TYR A 146 10.925 -47.312 -5.239 1.00 0.17 H \nATOM 2267 HD1 TYR A 146 11.283 -45.025 -4.391 1.00 0.17 H \nATOM 2268 HH TYR A 146 10.759 -49.463 -4.690 1.00 0.40 H \nATOM 2269 H TYR A 146 10.145 -42.131 -3.176 1.00 0.27 H \nATOM 2270 N ILE A 147 10.573 -42.794 0.780 1.00 -0.42 N \nATOM 2271 CA ILE A 147 10.869 -41.866 1.867 1.00 -0.06 C \nATOM 2272 C ILE A 147 12.178 -42.256 2.552 1.00 0.60 C \nATOM 2273 O ILE A 147 12.338 -43.382 3.059 1.00 -0.57 O \nATOM 2274 CB ILE A 147 9.743 -41.831 2.922 1.00 0.13 C \nATOM 2275 CG1 ILE A 147 8.380 -41.621 2.251 1.00 -0.04 C \nATOM 2276 CG2 ILE A 147 10.002 -40.717 3.955 1.00 -0.32 C \nATOM 2277 CD1 ILE A 147 7.219 -42.079 3.090 1.00 -0.07 C \nATOM 2278 HA ILE A 147 10.978 -40.858 1.439 1.00 0.09 H \nATOM 2279 HB ILE A 147 9.729 -42.798 3.447 1.00 0.02 H \nATOM 2280 HG12 ILE A 147 8.257 -40.548 2.043 1.00 0.02 H \nATOM 2281 HG13 ILE A 147 8.368 -42.182 1.305 1.00 0.02 H \nATOM 2282 HD11 ILE A 147 7.214 -41.527 4.042 1.00 0.02 H \nATOM 2283 HD12 ILE A 147 6.279 -41.888 2.551 1.00 0.02 H \nATOM 2284 HD13 ILE A 147 7.314 -43.156 3.291 1.00 0.02 H \nATOM 2285 HG21 ILE A 147 10.051 -39.745 3.442 1.00 0.09 H \nATOM 2286 HG22 ILE A 147 9.185 -40.702 4.691 1.00 0.09 H \nATOM 2287 HG23 ILE A 147 10.955 -40.909 4.470 1.00 0.09 H \nATOM 2288 H ILE A 147 10.389 -43.753 0.997 1.00 0.27 H \nATOM 2289 N TRP A 148 13.122 -41.328 2.554 1.00 -0.42 N \nATOM 2290 CA TRP A 148 14.366 -41.520 3.277 1.00 -0.03 C \nATOM 2291 C TRP A 148 14.241 -40.676 4.538 1.00 0.60 C \nATOM 2292 O TRP A 148 13.819 -39.516 4.477 1.00 -0.57 O \nATOM 2293 CB TRP A 148 15.546 -41.113 2.391 1.00 -0.01 C \nATOM 2294 CG TRP A 148 16.933 -41.069 3.046 1.00 -0.14 C \nATOM 2295 CD1 TRP A 148 17.915 -42.016 2.949 1.00 -0.16 C \nATOM 2296 CD2 TRP A 148 17.483 -40.007 3.851 1.00 0.12 C \nATOM 2297 NE1 TRP A 148 19.033 -41.618 3.643 1.00 -0.34 N \nATOM 2298 CE2 TRP A 148 18.798 -40.391 4.203 1.00 0.14 C \nATOM 2299 CE3 TRP A 148 16.995 -38.773 4.302 1.00 -0.24 C \nATOM 2300 CZ2 TRP A 148 19.628 -39.585 4.994 1.00 -0.26 C \nATOM 2301 CZ3 TRP A 148 17.824 -37.970 5.085 1.00 -0.20 C \nATOM 2302 CH2 TRP A 148 19.129 -38.380 5.419 1.00 -0.11 C \nATOM 2303 HA TRP A 148 14.484 -42.578 3.555 1.00 0.11 H \nATOM 2304 HB2 TRP A 148 15.596 -41.829 1.557 1.00 0.03 H \nATOM 2305 HB3 TRP A 148 15.334 -40.108 1.998 1.00 0.03 H \nATOM 2306 HE1 TRP A 148 19.907 -42.156 3.728 1.00 0.34 H \nATOM 2307 HD1 TRP A 148 17.824 -42.952 2.400 1.00 0.21 H \nATOM 2308 HZ2 TRP A 148 20.629 -39.903 5.261 1.00 0.16 H \nATOM 2309 HH2 TRP A 148 19.752 -37.731 6.024 1.00 0.14 H \nATOM 2310 HZ3 TRP A 148 17.458 -37.014 5.442 1.00 0.14 H \nATOM 2311 HE3 TRP A 148 15.992 -38.449 4.047 1.00 0.17 H \nATOM 2312 H TRP A 148 12.975 -40.478 2.048 1.00 0.27 H \nATOM 2313 N GLU A 149 14.557 -41.257 5.690 1.00 -0.52 N \nATOM 2314 CA GLU A 149 14.374 -40.520 6.939 1.00 0.04 C \nATOM 2315 C GLU A 149 15.567 -40.634 7.895 1.00 0.54 C \nATOM 2316 O GLU A 149 16.161 -41.707 8.054 1.00 -0.58 O \nATOM 2317 CB GLU A 149 13.062 -40.940 7.630 1.00 0.06 C \nATOM 2318 CG GLU A 149 12.809 -40.245 8.958 1.00 0.01 C \nATOM 2319 CD GLU A 149 11.351 -40.346 9.425 1.00 0.81 C \nATOM 2320 OE1 GLU A 149 10.611 -41.193 8.904 1.00 -0.82 O \nATOM 2321 OE2 GLU A 149 10.936 -39.560 10.298 1.00 -0.82 O \nATOM 2322 HA GLU A 149 14.280 -39.457 6.673 1.00 0.11 H \nATOM 2323 HB2 GLU A 149 12.226 -40.708 6.954 1.00 -0.02 H \nATOM 2324 HB3 GLU A 149 13.098 -42.025 7.809 1.00 -0.02 H \nATOM 2325 HG2 GLU A 149 13.453 -40.705 9.722 1.00 -0.04 H \nATOM 2326 HG3 GLU A 149 13.069 -39.182 8.851 1.00 -0.04 H \nATOM 2327 H GLU A 149 14.917 -42.190 5.703 1.00 0.29 H \nATOM 2328 N SER A 150 15.908 -39.509 8.522 1.00 -0.42 N \nATOM 2329 CA SER A 150 17.018 -39.445 9.456 1.00 -0.02 C \nATOM 2330 C SER A 150 16.767 -38.454 10.587 1.00 0.60 C \nATOM 2331 O SER A 150 16.186 -37.387 10.371 1.00 -0.57 O \nATOM 2332 CB SER A 150 18.301 -39.041 8.721 1.00 0.21 C \nATOM 2333 OG SER A 150 19.355 -38.829 9.644 1.00 -0.65 O \nATOM 2334 HA SER A 150 17.157 -40.445 9.893 1.00 0.08 H \nATOM 2335 HB2 SER A 150 18.586 -39.842 8.023 1.00 0.04 H \nATOM 2336 HB3 SER A 150 18.120 -38.113 8.159 1.00 0.04 H \nATOM 2337 HG SER A 150 20.142 -38.580 9.174 1.00 0.43 H \nATOM 2338 H SER A 150 15.380 -38.679 8.343 1.00 0.27 H \nATOM 2339 N ASN A 151 17.203 -38.817 11.793 1.00 -0.42 N \nATOM 2340 CA ASN A 151 17.227 -37.887 12.921 1.00 0.01 C \nATOM 2341 C ASN A 151 18.650 -37.632 13.421 1.00 0.60 C \nATOM 2342 O ASN A 151 18.875 -37.477 14.619 1.00 -0.57 O \nATOM 2343 CB ASN A 151 16.342 -38.381 14.069 1.00 -0.20 C \nATOM 2344 CG ASN A 151 16.775 -39.735 14.607 1.00 0.71 C \nATOM 2345 OD1 ASN A 151 17.794 -40.296 14.192 1.00 -0.59 O \nATOM 2346 ND2 ASN A 151 16.001 -40.263 15.544 1.00 -0.92 N \nATOM 2347 HA ASN A 151 16.819 -36.928 12.569 1.00 0.10 H \nATOM 2348 HB2 ASN A 151 16.386 -37.647 14.887 1.00 0.08 H \nATOM 2349 HB3 ASN A 151 15.307 -38.462 13.705 1.00 0.08 H \nATOM 2350 HD22 ASN A 151 16.231 -41.152 15.940 1.00 0.42 H \nATOM 2351 HD21 ASN A 151 15.187 -39.772 15.856 1.00 0.42 H \nATOM 2352 H ASN A 151 17.524 -39.754 11.931 1.00 0.27 H \nATOM 2353 N ALA A 152 19.599 -37.594 12.493 1.00 -0.42 N \nATOM 2354 CA ALA A 152 21.005 -37.339 12.810 1.00 0.03 C \nATOM 2355 C ALA A 152 21.633 -38.499 13.572 1.00 0.60 C \nATOM 2356 O ALA A 152 22.819 -38.465 13.904 1.00 -0.57 O \nATOM 2357 CB ALA A 152 21.165 -36.032 13.583 1.00 -0.18 C \nATOM 2358 HA ALA A 152 21.546 -37.234 11.858 1.00 0.08 H \nATOM 2359 HB1 ALA A 152 22.229 -35.866 13.807 1.00 0.06 H \nATOM 2360 HB2 ALA A 152 20.784 -35.198 12.976 1.00 0.06 H \nATOM 2361 HB3 ALA A 152 20.597 -36.090 14.523 1.00 0.06 H \nATOM 2362 H ALA A 152 19.343 -37.746 11.538 1.00 0.27 H \nATOM 2363 N GLY A 153 20.832 -39.525 13.845 1.00 -0.42 N \nATOM 2364 CA GLY A 153 21.332 -40.733 14.470 1.00 -0.03 C \nATOM 2365 C GLY A 153 22.318 -41.428 13.554 1.00 0.60 C \nATOM 2366 O GLY A 153 22.650 -40.915 12.483 1.00 -0.57 O \nATOM 2367 HA3 GLY A 153 21.834 -40.473 15.413 1.00 0.07 H \nATOM 2368 HA2 GLY A 153 20.490 -41.410 14.677 1.00 0.07 H \nATOM 2369 H GLY A 153 19.861 -39.461 13.613 1.00 0.27 H \nATOM 2370 N GLY A 154 22.784 -42.600 13.969 1.00 -0.42 N \nATOM 2371 CA GLY A 154 23.760 -43.345 13.195 1.00 -0.03 C \nATOM 2372 C GLY A 154 23.148 -44.210 12.110 1.00 0.60 C \nATOM 2373 O GLY A 154 23.864 -44.910 11.393 1.00 -0.57 O \nATOM 2374 HA3 GLY A 154 24.447 -42.629 12.721 1.00 0.07 H \nATOM 2375 HA2 GLY A 154 24.323 -43.995 13.880 1.00 0.07 H \nATOM 2376 H GLY A 154 22.455 -42.978 14.834 1.00 0.27 H \nATOM 2377 N SER A 155 21.824 -44.171 11.984 1.00 -0.42 N \nATOM 2378 CA SER A 155 21.148 -44.959 10.958 1.00 -0.02 C \nATOM 2379 C SER A 155 19.979 -44.207 10.331 1.00 0.60 C \nATOM 2380 O SER A 155 19.413 -43.299 10.937 1.00 -0.57 O \nATOM 2381 CB SER A 155 20.686 -46.318 11.514 1.00 0.21 C \nATOM 2382 OG SER A 155 19.585 -46.188 12.394 1.00 -0.65 O \nATOM 2383 HA SER A 155 21.879 -45.156 10.160 1.00 0.08 H \nATOM 2384 HB2 SER A 155 20.393 -46.964 10.673 1.00 0.04 H \nATOM 2385 HB3 SER A 155 21.522 -46.781 12.058 1.00 0.04 H \nATOM 2386 HG SER A 155 19.332 -47.046 12.714 1.00 0.43 H \nATOM 2387 H SER A 155 21.286 -43.595 12.599 1.00 0.27 H \nATOM 2388 N PHE A 156 19.636 -44.585 9.104 1.00 -0.42 N \nATOM 2389 CA PHE A 156 18.493 -44.007 8.417 1.00 -0.00 C \nATOM 2390 C PHE A 156 17.544 -45.088 7.896 1.00 0.60 C \nATOM 2391 O PHE A 156 17.937 -46.241 7.740 1.00 -0.57 O \nATOM 2392 CB PHE A 156 18.951 -43.074 7.291 1.00 -0.03 C \nATOM 2393 CG PHE A 156 19.713 -43.754 6.184 1.00 0.01 C \nATOM 2394 CD1 PHE A 156 19.050 -44.266 5.079 1.00 -0.13 C \nATOM 2395 CD2 PHE A 156 21.104 -43.835 6.224 1.00 -0.13 C \nATOM 2396 CE1 PHE A 156 19.759 -44.859 4.032 1.00 -0.17 C \nATOM 2397 CE2 PHE A 156 21.819 -44.436 5.189 1.00 -0.17 C \nATOM 2398 CZ PHE A 156 21.148 -44.946 4.093 1.00 -0.11 C \nATOM 2399 HA PHE A 156 17.936 -43.401 9.147 1.00 0.10 H \nATOM 2400 HB2 PHE A 156 18.060 -42.601 6.854 1.00 0.03 H \nATOM 2401 HB3 PHE A 156 19.599 -42.300 7.729 1.00 0.03 H \nATOM 2402 HD2 PHE A 156 21.638 -43.424 7.073 1.00 0.13 H \nATOM 2403 HE2 PHE A 156 22.900 -44.503 5.243 1.00 0.14 H \nATOM 2404 HZ PHE A 156 21.700 -45.412 3.285 1.00 0.13 H \nATOM 2405 HE1 PHE A 156 19.229 -45.252 3.172 1.00 0.14 H \nATOM 2406 HD1 PHE A 156 17.969 -44.205 5.027 1.00 0.13 H \nATOM 2407 H PHE A 156 20.179 -45.286 8.641 1.00 0.27 H \nATOM 2408 N THR A 157 16.294 -44.717 7.640 1.00 -0.42 N \nATOM 2409 CA THR A 157 15.330 -45.667 7.099 1.00 -0.04 C \nATOM 2410 C THR A 157 14.900 -45.293 5.689 1.00 0.60 C \nATOM 2411 O THR A 157 14.856 -44.114 5.334 1.00 -0.57 O \nATOM 2412 CB THR A 157 14.066 -45.753 7.964 1.00 0.37 C \nATOM 2413 OG1 THR A 157 13.335 -44.528 7.856 1.00 -0.68 O \nATOM 2414 CG2 THR A 157 14.423 -46.020 9.426 1.00 -0.24 C \nATOM 2415 HA THR A 157 15.808 -46.657 7.072 1.00 0.10 H \nATOM 2416 HB THR A 157 13.439 -46.579 7.597 1.00 0.00 H \nATOM 2417 HG1 THR A 157 12.552 -44.579 8.391 1.00 0.41 H \nATOM 2418 HG23 THR A 157 14.310 -47.093 9.641 1.00 0.06 H \nATOM 2419 HG21 THR A 157 15.464 -45.717 9.610 1.00 0.06 H \nATOM 2420 HG22 THR A 157 13.752 -45.442 10.079 1.00 0.06 H \nATOM 2421 H THR A 157 16.011 -43.775 7.821 1.00 0.27 H \nATOM 2422 N VAL A 158 14.577 -46.302 4.887 1.00 -0.42 N \nATOM 2423 CA VAL A 158 14.019 -46.064 3.566 1.00 -0.09 C \nATOM 2424 C VAL A 158 12.774 -46.908 3.391 1.00 0.60 C \nATOM 2425 O VAL A 158 12.795 -48.138 3.595 1.00 -0.57 O \nATOM 2426 CB VAL A 158 15.024 -46.370 2.432 1.00 0.30 C \nATOM 2427 CG1 VAL A 158 14.414 -46.021 1.074 1.00 -0.32 C \nATOM 2428 CG2 VAL A 158 16.314 -45.598 2.638 1.00 -0.32 C \nATOM 2429 HA VAL A 158 13.739 -45.002 3.497 1.00 0.10 H \nATOM 2430 HB VAL A 158 15.253 -47.446 2.449 1.00 -0.03 H \nATOM 2431 HG11 VAL A 158 14.151 -44.953 1.054 1.00 0.08 H \nATOM 2432 HG12 VAL A 158 15.143 -46.234 0.279 1.00 0.08 H \nATOM 2433 HG13 VAL A 158 13.509 -46.625 0.913 1.00 0.08 H \nATOM 2434 HG21 VAL A 158 16.759 -45.878 3.604 1.00 0.08 H \nATOM 2435 HG22 VAL A 158 17.018 -45.837 1.827 1.00 0.08 H \nATOM 2436 HG23 VAL A 158 16.101 -44.519 2.632 1.00 0.08 H \nATOM 2437 H VAL A 158 14.720 -47.242 5.198 1.00 0.27 H \nATOM 2438 N THR A 159 11.693 -46.247 2.998 1.00 -0.42 N \nATOM 2439 CA THR A 159 10.366 -46.853 2.994 1.00 -0.04 C \nATOM 2440 C THR A 159 9.611 -46.504 1.728 1.00 0.60 C \nATOM 2441 O THR A 159 9.628 -45.357 1.300 1.00 -0.57 O \nATOM 2442 CB THR A 159 9.577 -46.345 4.187 1.00 0.37 C \nATOM 2443 OG1 THR A 159 10.381 -46.474 5.364 1.00 -0.68 O \nATOM 2444 CG2 THR A 159 8.273 -47.104 4.352 1.00 -0.24 C \nATOM 2445 HA THR A 159 10.471 -47.946 3.062 1.00 0.10 H \nATOM 2446 HB THR A 159 9.343 -45.282 4.029 1.00 0.00 H \nATOM 2447 HG1 THR A 159 9.894 -46.158 6.116 1.00 0.41 H \nATOM 2448 HG23 THR A 159 7.451 -46.520 3.912 1.00 0.06 H \nATOM 2449 HG21 THR A 159 8.347 -48.075 3.841 1.00 0.06 H \nATOM 2450 HG22 THR A 159 8.076 -47.266 5.422 1.00 0.06 H \nATOM 2451 H THR A 159 11.791 -45.300 2.694 1.00 0.27 H \nATOM 2452 N LEU A 160 8.968 -47.491 1.108 1.00 -0.42 N \nATOM 2453 CA LEU A 160 8.125 -47.221 -0.054 1.00 -0.05 C \nATOM 2454 C LEU A 160 6.967 -46.297 0.359 1.00 0.60 C \nATOM 2455 O LEU A 160 6.307 -46.545 1.362 1.00 -0.57 O \nATOM 2456 CB LEU A 160 7.565 -48.524 -0.612 1.00 -0.11 C \nATOM 2457 CG LEU A 160 6.743 -48.372 -1.886 1.00 0.35 C \nATOM 2458 CD1 LEU A 160 7.676 -48.346 -3.081 1.00 -0.41 C \nATOM 2459 CD2 LEU A 160 5.736 -49.521 -2.006 1.00 -0.41 C \nATOM 2460 HA LEU A 160 8.727 -46.725 -0.830 1.00 0.09 H \nATOM 2461 HB2 LEU A 160 8.410 -49.195 -0.828 1.00 0.05 H \nATOM 2462 HB3 LEU A 160 6.923 -48.978 0.157 1.00 0.05 H \nATOM 2463 HG LEU A 160 6.190 -47.422 -1.845 1.00 -0.04 H \nATOM 2464 HD21 LEU A 160 5.067 -49.515 -1.133 1.00 0.10 H \nATOM 2465 HD22 LEU A 160 5.143 -49.394 -2.923 1.00 0.10 H \nATOM 2466 HD23 LEU A 160 6.276 -50.479 -2.048 1.00 0.10 H \nATOM 2467 HD11 LEU A 160 8.255 -49.281 -3.115 1.00 0.10 H \nATOM 2468 HD12 LEU A 160 7.087 -48.247 -4.004 1.00 0.10 H \nATOM 2469 HD13 LEU A 160 8.363 -47.492 -2.991 1.00 0.10 H \nATOM 2470 H LEU A 160 9.063 -48.429 1.442 1.00 0.27 H \nATOM 2471 N ASP A 161 6.709 -45.247 -0.418 1.00 -0.52 N \nATOM 2472 CA ASP A 161 5.831 -44.167 0.036 1.00 0.04 C \nATOM 2473 C ASP A 161 4.347 -44.399 -0.259 1.00 0.54 C \nATOM 2474 O ASP A 161 3.911 -44.368 -1.408 1.00 -0.58 O \nATOM 2475 CB ASP A 161 6.284 -42.819 -0.547 1.00 -0.03 C \nATOM 2476 CG ASP A 161 5.526 -41.637 0.041 1.00 0.80 C \nATOM 2477 OD1 ASP A 161 4.377 -41.826 0.490 1.00 -0.80 O \nATOM 2478 OD2 ASP A 161 6.079 -40.511 0.035 1.00 -0.80 O \nATOM 2479 HA ASP A 161 5.935 -44.109 1.130 1.00 0.09 H \nATOM 2480 HB2 ASP A 161 7.356 -42.688 -0.338 1.00 -0.01 H \nATOM 2481 HB3 ASP A 161 6.122 -42.834 -1.635 1.00 -0.01 H \nATOM 2482 H ASP A 161 7.122 -45.195 -1.327 1.00 0.29 H \nATOM 2483 N GLU A 162 3.577 -44.623 0.793 1.00 -0.52 N \nATOM 2484 CA GLU A 162 2.142 -44.819 0.648 1.00 0.04 C \nATOM 2485 C GLU A 162 1.373 -43.844 1.542 1.00 0.54 C \nATOM 2486 O GLU A 162 0.214 -44.085 1.887 1.00 -0.58 O \nATOM 2487 CB GLU A 162 1.762 -46.296 0.933 1.00 0.06 C \nATOM 2488 CG GLU A 162 2.194 -47.231 -0.196 1.00 0.01 C \nATOM 2489 CD GLU A 162 1.925 -48.705 0.093 1.00 0.81 C \nATOM 2490 OE1 GLU A 162 1.670 -49.051 1.264 1.00 -0.82 O \nATOM 2491 OE2 GLU A 162 1.969 -49.514 -0.863 1.00 -0.82 O \nATOM 2492 HA GLU A 162 1.872 -44.600 -0.396 1.00 0.11 H \nATOM 2493 HB2 GLU A 162 2.253 -46.615 1.864 1.00 -0.02 H \nATOM 2494 HB3 GLU A 162 0.671 -46.365 1.052 1.00 -0.02 H \nATOM 2495 HG2 GLU A 162 1.647 -46.950 -1.108 1.00 -0.04 H \nATOM 2496 HG3 GLU A 162 3.274 -47.101 -0.361 1.00 -0.04 H \nATOM 2497 H GLU A 162 3.988 -44.658 1.704 1.00 0.29 H \nATOM 2498 N VAL A 163 2.011 -42.728 1.892 1.00 -0.42 N \nATOM 2499 CA VAL A 163 1.422 -41.802 2.852 1.00 -0.09 C \nATOM 2500 C VAL A 163 1.500 -40.320 2.453 1.00 0.60 C \nATOM 2501 O VAL A 163 0.798 -39.498 3.025 1.00 -0.57 O \nATOM 2502 CB VAL A 163 2.062 -41.978 4.239 1.00 0.30 C \nATOM 2503 CG1 VAL A 163 1.855 -43.411 4.744 1.00 -0.32 C \nATOM 2504 CG2 VAL A 163 3.555 -41.645 4.174 1.00 -0.32 C \nATOM 2505 HA VAL A 163 0.356 -42.061 2.933 1.00 0.10 H \nATOM 2506 HB VAL A 163 1.577 -41.285 4.942 1.00 -0.03 H \nATOM 2507 HG11 VAL A 163 2.312 -44.119 4.037 1.00 0.08 H \nATOM 2508 HG12 VAL A 163 2.327 -43.524 5.731 1.00 0.08 H \nATOM 2509 HG13 VAL A 163 0.778 -43.619 4.826 1.00 0.08 H \nATOM 2510 HG21 VAL A 163 3.685 -40.606 3.836 1.00 0.08 H \nATOM 2511 HG22 VAL A 163 4.001 -41.764 5.172 1.00 0.08 H \nATOM 2512 HG23 VAL A 163 4.052 -42.326 3.467 1.00 0.08 H \nATOM 2513 H VAL A 163 2.904 -42.523 1.492 1.00 0.27 H \nATOM 2514 N ASN A 164 2.353 -39.975 1.496 1.00 -0.42 N \nATOM 2515 CA ASN A 164 2.488 -38.573 1.082 1.00 0.01 C \nATOM 2516 C ASN A 164 1.824 -38.276 -0.257 1.00 0.60 C \nATOM 2517 O ASN A 164 1.525 -39.179 -1.019 1.00 -0.57 O \nATOM 2518 CB ASN A 164 3.971 -38.173 1.018 1.00 -0.20 C \nATOM 2519 CG ASN A 164 4.662 -38.299 2.356 1.00 0.71 C \nATOM 2520 OD1 ASN A 164 4.238 -37.691 3.333 1.00 -0.59 O \nATOM 2521 ND2 ASN A 164 5.721 -39.107 2.413 1.00 -0.92 N \nATOM 2522 HA ASN A 164 1.996 -37.953 1.845 1.00 0.10 H \nATOM 2523 HB2 ASN A 164 4.482 -38.825 0.294 1.00 0.08 H \nATOM 2524 HB3 ASN A 164 4.040 -37.128 0.682 1.00 0.08 H \nATOM 2525 HD22 ASN A 164 6.214 -39.225 3.275 1.00 0.42 H \nATOM 2526 HD21 ASN A 164 6.022 -39.595 1.594 1.00 0.42 H \nATOM 2527 H ASN A 164 2.909 -40.678 1.052 1.00 0.27 H \nATOM 2528 N GLU A 165 1.599 -36.998 -0.549 1.00 -0.52 N \nATOM 2529 CA GLU A 165 1.066 -36.619 -1.854 1.00 0.04 C \nATOM 2530 C GLU A 165 2.000 -37.144 -2.929 1.00 0.54 C \nATOM 2531 O GLU A 165 3.232 -37.157 -2.743 1.00 -0.58 O \nATOM 2532 CB GLU A 165 0.977 -35.082 -1.964 1.00 0.06 C \nATOM 2533 CG GLU A 165 2.349 -34.398 -1.829 1.00 0.01 C \nATOM 2534 CD GLU A 165 2.300 -32.882 -2.026 1.00 0.81 C \nATOM 2535 OE1 GLU A 165 1.631 -32.414 -2.977 1.00 -0.82 O \nATOM 2536 OE2 GLU A 165 2.929 -32.159 -1.222 1.00 -0.82 O \nATOM 2537 HA GLU A 165 0.065 -37.055 -1.985 1.00 0.11 H \nATOM 2538 HB2 GLU A 165 0.549 -34.823 -2.944 1.00 -0.02 H \nATOM 2539 HB3 GLU A 165 0.318 -34.709 -1.166 1.00 -0.02 H \nATOM 2540 HG2 GLU A 165 2.743 -34.605 -0.823 1.00 -0.04 H \nATOM 2541 HG3 GLU A 165 3.026 -34.825 -2.584 1.00 -0.04 H \nATOM 2542 H GLU A 165 1.796 -36.291 0.131 1.00 0.29 H \nATOM 2543 N ARG A 166 1.445 -37.586 -4.054 1.00 -0.35 N \nATOM 2544 CA ARG A 166 2.285 -37.951 -5.198 1.00 -0.26 C \nATOM 2545 C ARG A 166 3.002 -36.731 -5.763 1.00 0.73 C \nATOM 2546 O ARG A 166 2.382 -35.695 -6.009 1.00 -0.59 O \nATOM 2547 CB ARG A 166 1.457 -38.579 -6.317 1.00 -0.00 C \nATOM 2548 CG ARG A 166 0.587 -39.743 -5.888 1.00 0.04 C \nATOM 2549 CD ARG A 166 1.442 -40.897 -5.391 1.00 0.05 C \nATOM 2550 NE ARG A 166 1.752 -40.770 -3.972 1.00 -0.53 N \nATOM 2551 CZ ARG A 166 2.385 -41.698 -3.262 1.00 0.81 C \nATOM 2552 NH1 ARG A 166 2.777 -42.821 -3.851 1.00 -0.86 N \nATOM 2553 NH2 ARG A 166 2.601 -41.516 -1.961 1.00 -0.86 N \nATOM 2554 HA ARG A 166 3.035 -38.680 -4.858 1.00 0.16 H \nATOM 2555 HB2 ARG A 166 0.804 -37.800 -6.737 1.00 0.03 H \nATOM 2556 HB3 ARG A 166 2.148 -38.937 -7.094 1.00 0.03 H \nATOM 2557 HG2 ARG A 166 -0.082 -39.415 -5.079 1.00 0.03 H \nATOM 2558 HG3 ARG A 166 -0.013 -40.081 -6.746 1.00 0.03 H \nATOM 2559 HD2 ARG A 166 0.898 -41.839 -5.554 1.00 0.07 H \nATOM 2560 HD3 ARG A 166 2.383 -40.914 -5.961 1.00 0.07 H \nATOM 2561 HE ARG A 166 1.462 -39.907 -3.490 1.00 0.35 H \nATOM 2562 HH12 ARG A 166 3.268 -43.544 -3.306 1.00 0.45 H \nATOM 2563 HH11 ARG A 166 2.590 -42.969 -4.853 1.00 0.45 H \nATOM 2564 HH22 ARG A 166 3.092 -42.238 -1.415 1.00 0.45 H \nATOM 2565 HH21 ARG A 166 2.277 -40.653 -1.501 1.00 0.45 H \nATOM 2566 H ARG A 166 0.451 -37.670 -4.119 1.00 0.27 H \nATOM 2567 N ILE A 167 4.320 -36.845 -5.838 1.00 -0.42 N \nATOM 2568 CA ILE A 167 5.094 -35.913 -6.614 1.00 -0.06 C \nATOM 2569 C ILE A 167 5.393 -36.599 -7.939 1.00 0.60 C \nATOM 2570 O ILE A 167 6.247 -37.476 -8.048 1.00 -0.57 O \nATOM 2571 CB ILE A 167 6.375 -35.433 -5.895 1.00 0.13 C \nATOM 2572 CG1 ILE A 167 7.432 -36.536 -5.851 1.00 -0.04 C \nATOM 2573 CG2 ILE A 167 6.040 -34.925 -4.494 1.00 -0.32 C \nATOM 2574 CD1 ILE A 167 8.666 -36.155 -5.074 1.00 -0.07 C \nATOM 2575 HA ILE A 167 4.476 -35.024 -6.810 1.00 0.09 H \nATOM 2576 HB ILE A 167 6.791 -34.592 -6.469 1.00 0.02 H \nATOM 2577 HG12 ILE A 167 6.987 -37.426 -5.383 1.00 0.02 H \nATOM 2578 HG13 ILE A 167 7.730 -36.774 -6.883 1.00 0.02 H \nATOM 2579 HD11 ILE A 167 8.387 -35.913 -4.038 1.00 0.02 H \nATOM 2580 HD12 ILE A 167 9.375 -36.996 -5.076 1.00 0.02 H \nATOM 2581 HD13 ILE A 167 9.137 -35.277 -5.541 1.00 0.02 H \nATOM 2582 HG21 ILE A 167 5.574 -35.734 -3.912 1.00 0.09 H \nATOM 2583 HG22 ILE A 167 6.962 -34.597 -3.993 1.00 0.09 H \nATOM 2584 HG23 ILE A 167 5.342 -34.078 -4.568 1.00 0.09 H \nATOM 2585 H ILE A 167 4.781 -37.586 -5.350 1.00 0.27 H \nATOM 2586 N GLY A 168 4.565 -36.258 -8.906 1.00 -0.42 N \nATOM 2587 CA GLY A 168 4.886 -36.332 -10.324 1.00 -0.03 C \nATOM 2588 C GLY A 168 6.325 -36.744 -10.587 1.00 0.60 C \nATOM 2589 O GLY A 168 6.578 -37.834 -11.095 1.00 -0.57 O \nATOM 2590 HA3 GLY A 168 4.219 -37.068 -10.796 1.00 0.07 H \nATOM 2591 HA2 GLY A 168 4.717 -35.342 -10.774 1.00 0.07 H \nATOM 2592 H GLY A 168 3.657 -35.927 -8.649 1.00 0.27 H \nATOM 2593 N ARG A 169 7.264 -35.871 -10.233 1.00 -0.35 N \nATOM 2594 CA ARG A 169 8.699 -36.148 -10.359 1.00 -0.26 C \nATOM 2595 C ARG A 169 9.452 -35.138 -9.509 1.00 0.73 C \nATOM 2596 O ARG A 169 9.131 -33.947 -9.522 1.00 -0.59 O \nATOM 2597 CB ARG A 169 9.179 -36.017 -11.809 1.00 -0.00 C \nATOM 2598 CG ARG A 169 10.659 -36.358 -12.020 1.00 0.04 C \nATOM 2599 CD ARG A 169 11.169 -35.817 -13.337 1.00 0.05 C \nATOM 2600 NE ARG A 169 11.055 -34.364 -13.361 1.00 -0.53 N \nATOM 2601 CZ ARG A 169 10.293 -33.687 -14.207 1.00 0.81 C \nATOM 2602 NH1 ARG A 169 9.584 -34.337 -15.130 1.00 -0.86 N \nATOM 2603 NH2 ARG A 169 10.254 -32.357 -14.136 1.00 -0.86 N \nATOM 2604 HA ARG A 169 8.905 -37.167 -10.001 1.00 0.16 H \nATOM 2605 HB2 ARG A 169 8.578 -36.694 -12.433 1.00 0.03 H \nATOM 2606 HB3 ARG A 169 9.016 -34.979 -12.133 1.00 0.03 H \nATOM 2607 HG2 ARG A 169 11.248 -35.919 -11.201 1.00 0.03 H \nATOM 2608 HG3 ARG A 169 10.779 -37.451 -12.012 1.00 0.03 H \nATOM 2609 HD2 ARG A 169 12.224 -36.101 -13.463 1.00 0.07 H \nATOM 2610 HD3 ARG A 169 10.575 -36.242 -14.159 1.00 0.07 H \nATOM 2611 HE ARG A 169 11.604 -33.828 -12.674 1.00 0.35 H \nATOM 2612 HH12 ARG A 169 8.991 -33.812 -15.788 1.00 0.45 H \nATOM 2613 HH11 ARG A 169 9.629 -35.365 -15.185 1.00 0.45 H \nATOM 2614 HH22 ARG A 169 9.664 -31.823 -14.790 1.00 0.45 H \nATOM 2615 HH21 ARG A 169 10.814 -31.862 -13.427 1.00 0.45 H \nATOM 2616 H ARG A 169 6.979 -34.986 -9.864 1.00 0.27 H \nATOM 2617 N GLY A 170 10.469 -35.593 -8.790 1.00 -0.42 N \nATOM 2618 CA GLY A 170 11.292 -34.658 -8.047 1.00 -0.03 C \nATOM 2619 C GLY A 170 11.477 -35.043 -6.600 1.00 0.60 C \nATOM 2620 O GLY A 170 11.393 -36.222 -6.246 1.00 -0.57 O \nATOM 2621 HA3 GLY A 170 12.282 -34.609 -8.524 1.00 0.07 H \nATOM 2622 HA2 GLY A 170 10.816 -33.667 -8.086 1.00 0.07 H \nATOM 2623 H GLY A 170 10.667 -36.573 -8.760 1.00 0.27 H \nATOM 2624 N THR A 171 11.691 -34.041 -5.756 1.00 -0.42 N \nATOM 2625 CA THR A 171 12.107 -34.307 -4.389 1.00 -0.04 C \nATOM 2626 C THR A 171 11.545 -33.282 -3.431 1.00 0.60 C \nATOM 2627 O THR A 171 11.513 -32.087 -3.731 1.00 -0.57 O \nATOM 2628 CB THR A 171 13.664 -34.335 -4.274 1.00 0.37 C \nATOM 2629 OG1 THR A 171 14.183 -35.371 -5.117 1.00 -0.68 O \nATOM 2630 CG2 THR A 171 14.095 -34.608 -2.831 1.00 -0.24 C \nATOM 2631 HA THR A 171 11.720 -35.296 -4.102 1.00 0.10 H \nATOM 2632 HB THR A 171 14.067 -33.363 -4.595 1.00 0.00 H \nATOM 2633 HG1 THR A 171 15.130 -35.390 -5.049 1.00 0.41 H \nATOM 2634 HG23 THR A 171 14.350 -33.658 -2.339 1.00 0.06 H \nATOM 2635 HG21 THR A 171 13.271 -35.093 -2.288 1.00 0.06 H \nATOM 2636 HG22 THR A 171 14.974 -35.269 -2.830 1.00 0.06 H \nATOM 2637 H THR A 171 11.565 -33.097 -6.063 1.00 0.27 H \nATOM 2638 N ILE A 172 11.070 -33.771 -2.290 1.00 -0.42 N \nATOM 2639 CA ILE A 172 10.686 -32.918 -1.182 1.00 -0.06 C \nATOM 2640 C ILE A 172 11.646 -33.131 -0.019 1.00 0.60 C \nATOM 2641 O ILE A 172 11.893 -34.267 0.429 1.00 -0.57 O \nATOM 2642 CB ILE A 172 9.256 -33.173 -0.690 1.00 0.13 C \nATOM 2643 CG1 ILE A 172 8.251 -32.897 -1.803 1.00 -0.04 C \nATOM 2644 CG2 ILE A 172 8.943 -32.282 0.519 1.00 -0.32 C \nATOM 2645 CD1 ILE A 172 6.786 -33.067 -1.379 1.00 -0.07 C \nATOM 2646 HA ILE A 172 10.754 -31.872 -1.516 1.00 0.09 H \nATOM 2647 HB ILE A 172 9.170 -34.227 -0.387 1.00 0.02 H \nATOM 2648 HG12 ILE A 172 8.393 -31.862 -2.148 1.00 0.02 H \nATOM 2649 HG13 ILE A 172 8.454 -33.591 -2.632 1.00 0.02 H \nATOM 2650 HD11 ILE A 172 6.562 -32.379 -0.551 1.00 0.02 H \nATOM 2651 HD12 ILE A 172 6.129 -32.841 -2.232 1.00 0.02 H \nATOM 2652 HD13 ILE A 172 6.617 -34.103 -1.051 1.00 0.02 H \nATOM 2653 HG21 ILE A 172 9.051 -31.225 0.233 1.00 0.09 H \nATOM 2654 HG22 ILE A 172 7.912 -32.468 0.854 1.00 0.09 H \nATOM 2655 HG23 ILE A 172 9.642 -32.514 1.336 1.00 0.09 H \nATOM 2656 H ILE A 172 10.974 -34.762 -2.192 1.00 0.27 H \nATOM 2657 N LEU A 173 12.224 -32.033 0.441 1.00 -0.42 N \nATOM 2658 CA LEU A 173 12.943 -32.072 1.689 1.00 -0.05 C \nATOM 2659 C LEU A 173 11.997 -31.557 2.752 1.00 0.60 C \nATOM 2660 O LEU A 173 11.661 -30.372 2.766 1.00 -0.57 O \nATOM 2661 CB LEU A 173 14.179 -31.194 1.625 1.00 -0.11 C \nATOM 2662 CG LEU A 173 15.425 -31.988 1.256 1.00 0.35 C \nATOM 2663 CD1 LEU A 173 15.355 -32.406 -0.212 1.00 -0.41 C \nATOM 2664 CD2 LEU A 173 16.666 -31.208 1.541 1.00 -0.41 C \nATOM 2665 HA LEU A 173 13.242 -33.105 1.918 1.00 0.09 H \nATOM 2666 HB2 LEU A 173 14.020 -30.411 0.869 1.00 0.05 H \nATOM 2667 HB3 LEU A 173 14.334 -30.727 2.609 1.00 0.05 H \nATOM 2668 HG LEU A 173 15.448 -32.899 1.872 1.00 -0.04 H \nATOM 2669 HD21 LEU A 173 16.704 -30.957 2.611 1.00 0.10 H \nATOM 2670 HD22 LEU A 173 17.547 -31.810 1.274 1.00 0.10 H \nATOM 2671 HD23 LEU A 173 16.662 -30.282 0.947 1.00 0.10 H \nATOM 2672 HD11 LEU A 173 15.283 -31.510 -0.846 1.00 0.10 H \nATOM 2673 HD12 LEU A 173 16.262 -32.970 -0.476 1.00 0.10 H \nATOM 2674 HD13 LEU A 173 14.470 -33.039 -0.371 1.00 0.10 H \nATOM 2675 H LEU A 173 12.162 -31.179 -0.076 1.00 0.27 H \nATOM 2676 N ARG A 174 11.601 -32.451 3.640 1.00 -0.35 N \nATOM 2677 CA ARG A 174 10.689 -32.132 4.725 1.00 -0.26 C \nATOM 2678 C ARG A 174 11.476 -32.009 6.026 1.00 0.73 C \nATOM 2679 O ARG A 174 11.880 -33.011 6.620 1.00 -0.59 O \nATOM 2680 CB ARG A 174 9.556 -33.176 4.829 1.00 -0.00 C \nATOM 2681 CG ARG A 174 8.655 -32.978 6.056 1.00 0.04 C \nATOM 2682 CD ARG A 174 7.491 -33.970 6.117 1.00 0.05 C \nATOM 2683 NE ARG A 174 6.584 -33.861 4.977 1.00 -0.53 N \nATOM 2684 CZ ARG A 174 5.799 -34.841 4.534 1.00 0.81 C \nATOM 2685 NH1 ARG A 174 5.811 -36.051 5.109 1.00 -0.86 N \nATOM 2686 NH2 ARG A 174 5.017 -34.620 3.483 1.00 -0.86 N \nATOM 2687 HA ARG A 174 10.227 -31.157 4.512 1.00 0.16 H \nATOM 2688 HB2 ARG A 174 8.934 -33.106 3.925 1.00 0.03 H \nATOM 2689 HB3 ARG A 174 10.008 -34.177 4.887 1.00 0.03 H \nATOM 2690 HG2 ARG A 174 9.267 -33.101 6.962 1.00 0.03 H \nATOM 2691 HG3 ARG A 174 8.244 -31.958 6.027 1.00 0.03 H \nATOM 2692 HD2 ARG A 174 7.902 -34.990 6.141 1.00 0.07 H \nATOM 2693 HD3 ARG A 174 6.919 -33.783 7.038 1.00 0.07 H \nATOM 2694 HE ARG A 174 6.549 -32.960 4.479 1.00 0.35 H \nATOM 2695 HH12 ARG A 174 5.197 -36.797 4.752 1.00 0.45 H \nATOM 2696 HH11 ARG A 174 6.435 -36.235 5.908 1.00 0.45 H \nATOM 2697 HH22 ARG A 174 4.405 -35.369 3.130 1.00 0.45 H \nATOM 2698 HH21 ARG A 174 5.023 -33.699 3.021 1.00 0.45 H \nATOM 2699 H ARG A 174 11.944 -33.387 3.562 1.00 0.27 H \nATOM 2700 N LEU A 175 11.693 -30.763 6.444 1.00 -0.42 N \nATOM 2701 CA LEU A 175 12.489 -30.431 7.621 1.00 -0.05 C \nATOM 2702 C LEU A 175 11.603 -30.236 8.839 1.00 0.60 C \nATOM 2703 O LEU A 175 10.674 -29.431 8.819 1.00 -0.57 O \nATOM 2704 CB LEU A 175 13.271 -29.134 7.404 1.00 -0.11 C \nATOM 2705 CG LEU A 175 14.188 -29.032 6.178 1.00 0.35 C \nATOM 2706 CD1 LEU A 175 15.089 -27.817 6.313 1.00 -0.41 C \nATOM 2707 CD2 LEU A 175 15.028 -30.277 6.007 1.00 -0.41 C \nATOM 2708 HA LEU A 175 13.194 -31.253 7.812 1.00 0.09 H \nATOM 2709 HB2 LEU A 175 12.536 -28.319 7.329 1.00 0.05 H \nATOM 2710 HB3 LEU A 175 13.899 -28.980 8.294 1.00 0.05 H \nATOM 2711 HG LEU A 175 13.560 -28.910 5.283 1.00 -0.04 H \nATOM 2712 HD21 LEU A 175 14.370 -31.150 5.887 1.00 0.10 H \nATOM 2713 HD22 LEU A 175 15.663 -30.171 5.115 1.00 0.10 H \nATOM 2714 HD23 LEU A 175 15.663 -30.416 6.895 1.00 0.10 H \nATOM 2715 HD11 LEU A 175 15.696 -27.910 7.226 1.00 0.10 H \nATOM 2716 HD12 LEU A 175 15.752 -27.753 5.437 1.00 0.10 H \nATOM 2717 HD13 LEU A 175 14.472 -26.908 6.373 1.00 0.10 H \nATOM 2718 H LEU A 175 11.288 -30.013 5.922 1.00 0.27 H \nATOM 2719 N PHE A 176 11.915 -30.975 9.897 1.00 -0.42 N \nATOM 2720 CA PHE A 176 11.248 -30.823 11.186 1.00 -0.00 C \nATOM 2721 C PHE A 176 12.109 -29.901 12.015 1.00 0.60 C \nATOM 2722 O PHE A 176 13.097 -30.319 12.620 1.00 -0.57 O \nATOM 2723 CB PHE A 176 11.064 -32.188 11.843 1.00 -0.03 C \nATOM 2724 CG PHE A 176 10.134 -33.089 11.080 1.00 0.01 C \nATOM 2725 CD1 PHE A 176 10.593 -33.830 10.005 1.00 -0.13 C \nATOM 2726 CD2 PHE A 176 8.788 -33.156 11.411 1.00 -0.13 C \nATOM 2727 CE1 PHE A 176 9.737 -34.654 9.292 1.00 -0.17 C \nATOM 2728 CE2 PHE A 176 7.924 -33.975 10.704 1.00 -0.17 C \nATOM 2729 CZ PHE A 176 8.393 -34.721 9.640 1.00 -0.11 C \nATOM 2730 HA PHE A 176 10.258 -30.365 11.042 1.00 0.10 H \nATOM 2731 HB2 PHE A 176 12.046 -32.678 11.914 1.00 0.03 H \nATOM 2732 HB3 PHE A 176 10.656 -32.038 12.853 1.00 0.03 H \nATOM 2733 HD2 PHE A 176 8.408 -32.560 12.233 1.00 0.13 H \nATOM 2734 HE2 PHE A 176 6.879 -34.031 10.986 1.00 0.14 H \nATOM 2735 HZ PHE A 176 7.716 -35.355 9.079 1.00 0.13 H \nATOM 2736 HE1 PHE A 176 10.114 -35.245 8.465 1.00 0.14 H \nATOM 2737 HD1 PHE A 176 11.636 -33.765 9.717 1.00 0.13 H \nATOM 2738 H PHE A 176 12.635 -31.663 9.807 1.00 0.27 H \nATOM 2739 N LEU A 177 11.747 -28.623 11.982 1.00 -0.42 N \nATOM 2740 CA LEU A 177 12.538 -27.564 12.584 1.00 -0.05 C \nATOM 2741 C LEU A 177 12.682 -27.710 14.091 1.00 0.60 C \nATOM 2742 O LEU A 177 11.742 -28.112 14.775 1.00 -0.57 O \nATOM 2743 CB LEU A 177 11.904 -26.206 12.267 1.00 -0.11 C \nATOM 2744 CG LEU A 177 11.784 -25.833 10.788 1.00 0.35 C \nATOM 2745 CD1 LEU A 177 11.166 -24.447 10.654 1.00 -0.41 C \nATOM 2746 CD2 LEU A 177 13.157 -25.884 10.092 1.00 -0.41 C \nATOM 2747 HA LEU A 177 13.544 -27.597 12.140 1.00 0.09 H \nATOM 2748 HB2 LEU A 177 10.891 -26.203 12.695 1.00 0.05 H \nATOM 2749 HB3 LEU A 177 12.512 -25.432 12.758 1.00 0.05 H \nATOM 2750 HG LEU A 177 11.121 -26.561 10.298 1.00 -0.04 H \nATOM 2751 HD21 LEU A 177 13.573 -26.899 10.176 1.00 0.10 H \nATOM 2752 HD22 LEU A 177 13.040 -25.622 9.030 1.00 0.10 H \nATOM 2753 HD23 LEU A 177 13.839 -25.167 10.573 1.00 0.10 H \nATOM 2754 HD11 LEU A 177 11.798 -23.712 11.173 1.00 0.10 H \nATOM 2755 HD12 LEU A 177 11.092 -24.180 9.589 1.00 0.10 H \nATOM 2756 HD13 LEU A 177 10.162 -24.448 11.103 1.00 0.10 H \nATOM 2757 H LEU A 177 10.893 -28.380 11.523 1.00 0.27 H \nATOM 2758 N LYS A 178 13.872 -27.370 14.592 1.00 -0.35 N \nATOM 2759 CA LYS A 178 14.138 -27.266 16.025 1.00 -0.24 C \nATOM 2760 C LYS A 178 13.291 -26.153 16.631 1.00 0.73 C \nATOM 2761 O LYS A 178 12.902 -25.223 15.937 1.00 -0.59 O \nATOM 2762 CB LYS A 178 15.621 -26.953 16.255 1.00 -0.01 C \nATOM 2763 CG LYS A 178 16.587 -28.058 15.840 1.00 0.02 C \nATOM 2764 CD LYS A 178 18.038 -27.524 15.784 1.00 -0.05 C \nATOM 2765 CE LYS A 178 19.038 -28.597 15.384 1.00 -0.01 C \nATOM 2766 NZ LYS A 178 20.447 -28.077 15.288 1.00 -0.39 N \nATOM 2767 HA LYS A 178 13.887 -28.221 16.511 1.00 0.14 H \nATOM 2768 HB2 LYS A 178 15.871 -26.048 15.682 1.00 0.04 H \nATOM 2769 HB3 LYS A 178 15.766 -26.759 17.328 1.00 0.04 H \nATOM 2770 HG2 LYS A 178 16.532 -28.879 16.570 1.00 0.01 H \nATOM 2771 HG3 LYS A 178 16.302 -28.432 14.846 1.00 0.01 H \nATOM 2772 HD2 LYS A 178 18.085 -26.706 15.050 1.00 0.06 H \nATOM 2773 HD3 LYS A 178 18.311 -27.140 16.778 1.00 0.06 H \nATOM 2774 HE2 LYS A 178 19.011 -29.400 16.135 1.00 0.11 H \nATOM 2775 HE3 LYS A 178 18.746 -29.002 14.404 1.00 0.11 H \nATOM 2776 HZ1 LYS A 178 20.728 -27.702 16.180 1.00 0.34 H \nATOM 2777 HZ2 LYS A 178 21.066 -28.830 15.030 1.00 0.34 H \nATOM 2778 HZ3 LYS A 178 20.491 -27.352 14.589 1.00 0.34 H \nATOM 2779 H LYS A 178 14.618 -27.177 13.955 1.00 0.27 H \nATOM 2780 N ASP A 179 13.009 -26.244 17.924 1.00 -0.52 N \nATOM 2781 CA ASP A 179 12.167 -25.250 18.590 1.00 0.04 C \nATOM 2782 C ASP A 179 12.717 -23.822 18.539 1.00 0.54 C \nATOM 2783 O ASP A 179 11.953 -22.863 18.600 1.00 -0.58 O \nATOM 2784 CB ASP A 179 11.903 -25.650 20.042 1.00 -0.03 C \nATOM 2785 CG ASP A 179 10.875 -26.752 20.162 1.00 0.80 C \nATOM 2786 OD1 ASP A 179 10.103 -26.946 19.200 1.00 -0.80 O \nATOM 2787 OD2 ASP A 179 10.833 -27.420 21.217 1.00 -0.80 O \nATOM 2788 HA ASP A 179 11.202 -25.243 18.062 1.00 0.09 H \nATOM 2789 HB2 ASP A 179 12.846 -25.997 20.489 1.00 -0.01 H \nATOM 2790 HB3 ASP A 179 11.540 -24.768 20.590 1.00 -0.01 H \nATOM 2791 H ASP A 179 13.379 -27.007 18.454 1.00 0.29 H \nATOM 2792 N ASP A 180 14.035 -23.678 18.426 1.00 -0.52 N \nATOM 2793 CA ASP A 180 14.648 -22.351 18.418 1.00 0.04 C \nATOM 2794 C ASP A 180 14.823 -21.753 17.017 1.00 0.54 C \nATOM 2795 O ASP A 180 15.279 -20.619 16.870 1.00 -0.58 O \nATOM 2796 CB ASP A 180 15.980 -22.353 19.188 1.00 -0.03 C \nATOM 2797 CG ASP A 180 17.000 -23.310 18.601 1.00 0.80 C \nATOM 2798 OD1 ASP A 180 16.623 -24.445 18.246 1.00 -0.80 O \nATOM 2799 OD2 ASP A 180 18.186 -22.926 18.500 1.00 -0.80 O \nATOM 2800 HA ASP A 180 13.961 -21.685 18.960 1.00 0.09 H \nATOM 2801 HB2 ASP A 180 16.399 -21.336 19.166 1.00 -0.01 H \nATOM 2802 HB3 ASP A 180 15.783 -22.646 20.230 1.00 -0.01 H \nATOM 2803 H ASP A 180 14.614 -24.489 18.345 1.00 0.29 H \nATOM 2804 N GLN A 181 14.411 -22.496 15.994 1.00 -0.42 N \nATOM 2805 CA GLN A 181 14.632 -22.085 14.614 1.00 -0.00 C \nATOM 2806 C GLN A 181 13.327 -21.972 13.834 1.00 0.60 C \nATOM 2807 O GLN A 181 13.307 -22.205 12.623 1.00 -0.57 O \nATOM 2808 CB GLN A 181 15.552 -23.093 13.912 1.00 -0.00 C \nATOM 2809 CG GLN A 181 16.884 -23.314 14.620 1.00 -0.06 C \nATOM 2810 CD GLN A 181 17.827 -22.126 14.508 1.00 0.70 C \nATOM 2811 OE1 GLN A 181 17.794 -21.381 13.529 1.00 -0.61 O \nATOM 2812 NE2 GLN A 181 18.685 -21.952 15.516 1.00 -0.94 N \nATOM 2813 HA GLN A 181 15.121 -21.100 14.620 1.00 0.09 H \nATOM 2814 HB2 GLN A 181 15.027 -24.058 13.853 1.00 0.02 H \nATOM 2815 HB3 GLN A 181 15.757 -22.725 12.896 1.00 0.02 H \nATOM 2816 HG2 GLN A 181 16.686 -23.504 15.685 1.00 0.04 H \nATOM 2817 HG3 GLN A 181 17.374 -24.193 14.176 1.00 0.04 H \nATOM 2818 HE22 GLN A 181 19.330 -21.188 15.498 1.00 0.43 H \nATOM 2819 HE21 GLN A 181 18.683 -22.586 16.289 1.00 0.43 H \nATOM 2820 H GLN A 181 13.938 -23.358 16.176 1.00 0.27 H \nATOM 2821 N LEU A 182 12.245 -21.617 14.528 1.00 -0.42 N \nATOM 2822 CA LEU A 182 10.915 -21.563 13.918 1.00 -0.05 C \nATOM 2823 C LEU A 182 10.709 -20.292 13.104 1.00 0.60 C \nATOM 2824 O LEU A 182 9.667 -20.112 12.472 1.00 -0.57 O \nATOM 2825 CB LEU A 182 9.822 -21.682 14.983 1.00 -0.11 C \nATOM 2826 CG LEU A 182 9.789 -22.988 15.769 1.00 0.35 C \nATOM 2827 CD1 LEU A 182 8.531 -23.073 16.618 1.00 -0.41 C \nATOM 2828 CD2 LEU A 182 9.859 -24.159 14.809 1.00 -0.41 C \nATOM 2829 HA LEU A 182 10.824 -22.421 13.235 1.00 0.09 H \nATOM 2830 HB2 LEU A 182 9.962 -20.861 15.702 1.00 0.05 H \nATOM 2831 HB3 LEU A 182 8.850 -21.568 14.481 1.00 0.05 H \nATOM 2832 HG LEU A 182 10.664 -23.022 16.435 1.00 -0.04 H \nATOM 2833 HD21 LEU A 182 10.788 -24.098 14.223 1.00 0.10 H \nATOM 2834 HD22 LEU A 182 9.845 -25.101 15.378 1.00 0.10 H \nATOM 2835 HD23 LEU A 182 8.994 -24.128 14.130 1.00 0.10 H \nATOM 2836 HD11 LEU A 182 7.645 -23.017 15.968 1.00 0.10 H \nATOM 2837 HD12 LEU A 182 8.523 -24.026 17.167 1.00 0.10 H \nATOM 2838 HD13 LEU A 182 8.514 -22.237 17.333 1.00 0.10 H \nATOM 2839 H LEU A 182 12.345 -21.380 15.494 1.00 0.27 H \nATOM 2840 N GLU A 183 11.706 -19.416 13.126 1.00 -0.52 N \nATOM 2841 CA GLU A 183 11.668 -18.193 12.341 1.00 0.04 C \nATOM 2842 C GLU A 183 11.611 -18.511 10.853 1.00 0.54 C \nATOM 2843 O GLU A 183 11.175 -17.684 10.050 1.00 -0.58 O \nATOM 2844 CB GLU A 183 12.887 -17.322 12.644 1.00 0.06 C \nATOM 2845 CG GLU A 183 14.200 -17.829 12.059 1.00 0.01 C \nATOM 2846 CD GLU A 183 15.425 -17.191 12.705 1.00 0.81 C \nATOM 2847 OE1 GLU A 183 15.566 -17.309 13.939 1.00 -0.82 O \nATOM 2848 OE2 GLU A 183 16.252 -16.585 11.983 1.00 -0.82 O \nATOM 2849 HA GLU A 183 10.761 -17.633 12.614 1.00 0.11 H \nATOM 2850 HB2 GLU A 183 12.698 -16.317 12.239 1.00 -0.02 H \nATOM 2851 HB3 GLU A 183 13.001 -17.261 13.736 1.00 -0.02 H \nATOM 2852 HG2 GLU A 183 14.253 -18.918 12.207 1.00 -0.04 H \nATOM 2853 HG3 GLU A 183 14.214 -17.604 10.982 1.00 -0.04 H \nATOM 2854 H GLU A 183 12.505 -19.602 13.698 1.00 0.29 H \nATOM 2855 N TYR A 184 12.050 -19.711 10.484 1.00 -0.42 N \nATOM 2856 CA TYR A 184 12.089 -20.079 9.075 1.00 -0.00 C \nATOM 2857 C TYR A 184 10.732 -20.589 8.580 1.00 0.60 C \nATOM 2858 O TYR A 184 10.620 -21.080 7.458 1.00 -0.57 O \nATOM 2859 CB TYR A 184 13.221 -21.072 8.787 1.00 -0.02 C \nATOM 2860 CG TYR A 184 14.575 -20.469 9.081 1.00 -0.00 C \nATOM 2861 CD1 TYR A 184 15.100 -19.472 8.265 1.00 -0.19 C \nATOM 2862 CD2 TYR A 184 15.309 -20.868 10.187 1.00 -0.19 C \nATOM 2863 CE1 TYR A 184 16.331 -18.892 8.541 1.00 -0.23 C \nATOM 2864 CE2 TYR A 184 16.541 -20.308 10.467 1.00 -0.23 C \nATOM 2865 CZ TYR A 184 17.044 -19.313 9.643 1.00 0.32 C \nATOM 2866 OH TYR A 184 18.266 -18.736 9.922 1.00 -0.56 O \nATOM 2867 HA TYR A 184 12.313 -19.163 8.508 1.00 0.09 H \nATOM 2868 HB3 TYR A 184 13.083 -21.964 9.416 1.00 0.03 H \nATOM 2869 HB2 TYR A 184 13.181 -21.361 7.727 1.00 0.03 H \nATOM 2870 HD2 TYR A 184 14.910 -21.633 10.844 1.00 0.17 H \nATOM 2871 HE2 TYR A 184 17.111 -20.645 11.326 1.00 0.17 H \nATOM 2872 HE1 TYR A 184 16.727 -18.116 7.896 1.00 0.17 H \nATOM 2873 HD1 TYR A 184 14.538 -19.142 7.399 1.00 0.17 H \nATOM 2874 HH TYR A 184 18.462 -18.077 9.266 1.00 0.40 H \nATOM 2875 H TYR A 184 12.355 -20.364 11.177 1.00 0.27 H \nATOM 2876 N LEU A 185 9.712 -20.467 9.421 1.00 -0.42 N \nATOM 2877 CA LEU A 185 8.337 -20.691 8.987 1.00 -0.05 C \nATOM 2878 C LEU A 185 7.727 -19.377 8.480 1.00 0.60 C \nATOM 2879 O LEU A 185 6.679 -19.377 7.830 1.00 -0.57 O \nATOM 2880 CB LEU A 185 7.487 -21.251 10.137 1.00 -0.11 C \nATOM 2881 CG LEU A 185 7.893 -22.628 10.677 1.00 0.35 C \nATOM 2882 CD1 LEU A 185 7.021 -23.033 11.848 1.00 -0.41 C \nATOM 2883 CD2 LEU A 185 7.845 -23.681 9.574 1.00 -0.41 C \nATOM 2884 HA LEU A 185 8.342 -21.421 8.164 1.00 0.09 H \nATOM 2885 HB2 LEU A 185 7.539 -20.536 10.971 1.00 0.05 H \nATOM 2886 HB3 LEU A 185 6.449 -21.324 9.781 1.00 0.05 H \nATOM 2887 HG LEU A 185 8.931 -22.559 11.035 1.00 -0.04 H \nATOM 2888 HD21 LEU A 185 8.530 -23.394 8.763 1.00 0.10 H \nATOM 2889 HD22 LEU A 185 8.150 -24.655 9.984 1.00 0.10 H \nATOM 2890 HD23 LEU A 185 6.820 -23.753 9.180 1.00 0.10 H \nATOM 2891 HD11 LEU A 185 5.969 -23.068 11.527 1.00 0.10 H \nATOM 2892 HD12 LEU A 185 7.328 -24.026 12.207 1.00 0.10 H \nATOM 2893 HD13 LEU A 185 7.133 -22.299 12.660 1.00 0.10 H \nATOM 2894 H LEU A 185 9.890 -20.216 10.373 1.00 0.27 H \nATOM 2895 N GLU A 186 8.406 -18.266 8.764 1.00 -0.52 N \nATOM 2896 CA GLU A 186 7.869 -16.925 8.498 1.00 0.04 C \nATOM 2897 C GLU A 186 8.158 -16.418 7.088 1.00 0.54 C \nATOM 2898 O GLU A 186 9.293 -16.428 6.631 1.00 -0.58 O \nATOM 2899 CB GLU A 186 8.416 -15.925 9.514 1.00 0.06 C \nATOM 2900 CG GLU A 186 8.217 -16.330 10.968 1.00 0.01 C \nATOM 2901 CD GLU A 186 8.845 -15.336 11.933 1.00 0.81 C \nATOM 2902 OE1 GLU A 186 9.291 -14.262 11.471 1.00 -0.82 O \nATOM 2903 OE2 GLU A 186 8.902 -15.630 13.148 1.00 -0.82 O \nATOM 2904 HA GLU A 186 6.777 -16.977 8.617 1.00 0.11 H \nATOM 2905 HB2 GLU A 186 9.495 -15.808 9.334 1.00 -0.02 H \nATOM 2906 HB3 GLU A 186 7.911 -14.961 9.354 1.00 -0.02 H \nATOM 2907 HG2 GLU A 186 7.138 -16.391 11.174 1.00 -0.04 H \nATOM 2908 HG3 GLU A 186 8.677 -17.317 11.127 1.00 -0.04 H \nATOM 2909 H GLU A 186 9.315 -18.348 9.173 1.00 0.29 H \nATOM 2910 N GLU A 187 7.112 -15.955 6.415 1.00 -0.52 N \nATOM 2911 CA GLU A 187 7.204 -15.498 5.032 1.00 0.04 C \nATOM 2912 C GLU A 187 8.282 -14.448 4.811 1.00 0.54 C \nATOM 2913 O GLU A 187 9.075 -14.544 3.874 1.00 -0.58 O \nATOM 2914 CB GLU A 187 5.845 -14.946 4.573 1.00 0.06 C \nATOM 2915 CG GLU A 187 5.912 -14.080 3.315 1.00 0.01 C \nATOM 2916 CD GLU A 187 4.529 -13.657 2.813 1.00 0.81 C \nATOM 2917 OE1 GLU A 187 3.595 -13.557 3.638 1.00 -0.82 O \nATOM 2918 OE2 GLU A 187 4.386 -13.424 1.593 1.00 -0.82 O \nATOM 2919 HA GLU A 187 7.454 -16.369 4.409 1.00 0.11 H \nATOM 2920 HB2 GLU A 187 5.178 -15.797 4.371 1.00 -0.02 H \nATOM 2921 HB3 GLU A 187 5.427 -14.338 5.388 1.00 -0.02 H \nATOM 2922 HG2 GLU A 187 6.496 -13.176 3.541 1.00 -0.04 H \nATOM 2923 HG3 GLU A 187 6.415 -14.652 2.521 1.00 -0.04 H \nATOM 2924 H GLU A 187 6.225 -15.918 6.874 1.00 0.29 H \nATOM 2925 N LYS A 188 8.296 -13.436 5.673 1.00 -0.35 N \nATOM 2926 CA LYS A 188 9.252 -12.345 5.562 1.00 -0.24 C \nATOM 2927 C LYS A 188 10.695 -12.842 5.684 1.00 0.73 C \nATOM 2928 O LYS A 188 11.566 -12.483 4.888 1.00 -0.59 O \nATOM 2929 CB LYS A 188 8.957 -11.289 6.635 1.00 -0.01 C \nATOM 2930 CG LYS A 188 9.758 -10.005 6.490 1.00 0.02 C \nATOM 2931 CD LYS A 188 9.215 -8.914 7.410 1.00 -0.05 C \nATOM 2932 CE LYS A 188 9.994 -7.620 7.246 1.00 -0.01 C \nATOM 2933 NZ LYS A 188 11.437 -7.813 7.561 1.00 -0.39 N \nATOM 2934 HA LYS A 188 9.132 -11.881 4.572 1.00 0.14 H \nATOM 2935 HB2 LYS A 188 7.888 -11.035 6.583 1.00 0.04 H \nATOM 2936 HB3 LYS A 188 9.183 -11.726 7.619 1.00 0.04 H \nATOM 2937 HG2 LYS A 188 10.808 -10.205 6.750 1.00 0.01 H \nATOM 2938 HG3 LYS A 188 9.698 -9.659 5.448 1.00 0.01 H \nATOM 2939 HD2 LYS A 188 8.159 -8.731 7.165 1.00 0.06 H \nATOM 2940 HD3 LYS A 188 9.296 -9.252 8.454 1.00 0.06 H \nATOM 2941 HE2 LYS A 188 9.897 -7.273 6.207 1.00 0.11 H \nATOM 2942 HE3 LYS A 188 9.577 -6.862 7.926 1.00 0.11 H \nATOM 2943 HZ1 LYS A 188 11.825 -8.510 6.945 1.00 0.34 H \nATOM 2944 HZ2 LYS A 188 11.928 -6.942 7.434 1.00 0.34 H \nATOM 2945 HZ3 LYS A 188 11.534 -8.118 8.517 1.00 0.34 H \nATOM 2946 H LYS A 188 7.630 -13.424 6.419 1.00 0.27 H \nATOM 2947 N ARG A 189 10.942 -13.673 6.688 1.00 -0.35 N \nATOM 2948 CA ARG A 189 12.271 -14.226 6.909 1.00 -0.26 C \nATOM 2949 C ARG A 189 12.736 -15.093 5.725 1.00 0.73 C \nATOM 2950 O ARG A 189 13.863 -14.963 5.242 1.00 -0.59 O \nATOM 2951 CB ARG A 189 12.289 -15.024 8.216 1.00 -0.00 C \nATOM 2952 CG ARG A 189 13.655 -15.622 8.559 1.00 0.04 C \nATOM 2953 CD ARG A 189 14.658 -14.533 8.914 1.00 0.05 C \nATOM 2954 NE ARG A 189 15.950 -15.077 9.332 1.00 -0.53 N \nATOM 2955 CZ ARG A 189 17.110 -14.777 8.752 1.00 0.81 C \nATOM 2956 NH1 ARG A 189 17.144 -13.934 7.731 1.00 -0.86 N \nATOM 2957 NH2 ARG A 189 18.238 -15.322 9.189 1.00 -0.86 N \nATOM 2958 HA ARG A 189 12.976 -13.388 7.009 1.00 0.16 H \nATOM 2959 HB2 ARG A 189 11.989 -14.354 9.035 1.00 0.03 H \nATOM 2960 HB3 ARG A 189 11.563 -15.846 8.130 1.00 0.03 H \nATOM 2961 HG2 ARG A 189 13.544 -16.302 9.417 1.00 0.03 H \nATOM 2962 HG3 ARG A 189 14.029 -16.185 7.691 1.00 0.03 H \nATOM 2963 HD2 ARG A 189 14.813 -13.894 8.032 1.00 0.07 H \nATOM 2964 HD3 ARG A 189 14.247 -13.929 9.736 1.00 0.07 H \nATOM 2965 HE ARG A 189 15.963 -15.734 10.125 1.00 0.35 H \nATOM 2966 HH12 ARG A 189 18.043 -13.703 7.283 1.00 0.45 H \nATOM 2967 HH11 ARG A 189 16.272 -13.509 7.385 1.00 0.45 H \nATOM 2968 HH22 ARG A 189 19.133 -15.086 8.737 1.00 0.45 H \nATOM 2969 HH21 ARG A 189 18.219 -15.981 9.981 1.00 0.45 H \nATOM 2970 H ARG A 189 10.199 -13.926 7.307 1.00 0.27 H \nATOM 2971 N ILE A 190 11.864 -15.977 5.253 1.00 -0.42 N \nATOM 2972 CA ILE A 190 12.187 -16.797 4.082 1.00 -0.06 C \nATOM 2973 C ILE A 190 12.542 -15.946 2.866 1.00 0.60 C \nATOM 2974 O ILE A 190 13.591 -16.132 2.239 1.00 -0.57 O \nATOM 2975 CB ILE A 190 11.024 -17.750 3.711 1.00 0.13 C \nATOM 2976 CG1 ILE A 190 10.780 -18.745 4.850 1.00 -0.04 C \nATOM 2977 CG2 ILE A 190 11.329 -18.453 2.387 1.00 -0.32 C \nATOM 2978 CD1 ILE A 190 9.634 -19.719 4.620 1.00 -0.07 C \nATOM 2979 HA ILE A 190 13.064 -17.410 4.338 1.00 0.09 H \nATOM 2980 HB ILE A 190 10.110 -17.152 3.578 1.00 0.02 H \nATOM 2981 HG12 ILE A 190 11.700 -19.330 4.995 1.00 0.02 H \nATOM 2982 HG13 ILE A 190 10.562 -18.171 5.763 1.00 0.02 H \nATOM 2983 HD11 ILE A 190 9.831 -20.309 3.713 1.00 0.02 H \nATOM 2984 HD12 ILE A 190 9.547 -20.394 5.484 1.00 0.02 H \nATOM 2985 HD13 ILE A 190 8.696 -19.158 4.497 1.00 0.02 H \nATOM 2986 HG21 ILE A 190 12.263 -19.027 2.483 1.00 0.09 H \nATOM 2987 HG22 ILE A 190 10.504 -19.135 2.135 1.00 0.09 H \nATOM 2988 HG23 ILE A 190 11.440 -17.703 1.590 1.00 0.09 H \nATOM 2989 H ILE A 190 10.977 -16.084 5.702 1.00 0.27 H \nATOM 2990 N LYS A 191 11.669 -15.000 2.535 1.00 -0.35 N \nATOM 2991 CA LYS A 191 11.927 -14.112 1.406 1.00 -0.24 C \nATOM 2992 C LYS A 191 13.306 -13.471 1.499 1.00 0.73 C \nATOM 2993 O LYS A 191 14.039 -13.402 0.514 1.00 -0.59 O \nATOM 2994 CB LYS A 191 10.862 -13.028 1.303 1.00 -0.01 C \nATOM 2995 CG LYS A 191 9.496 -13.514 0.847 1.00 0.02 C \nATOM 2996 CD LYS A 191 8.705 -12.332 0.292 1.00 -0.05 C \nATOM 2997 CE LYS A 191 7.328 -12.740 -0.202 1.00 -0.01 C \nATOM 2998 NZ LYS A 191 6.562 -11.561 -0.703 1.00 -0.39 N \nATOM 2999 HA LYS A 191 11.892 -14.716 0.488 1.00 0.14 H \nATOM 3000 HB2 LYS A 191 10.747 -12.567 2.295 1.00 0.04 H \nATOM 3001 HB3 LYS A 191 11.213 -12.272 0.585 1.00 0.04 H \nATOM 3002 HG2 LYS A 191 9.619 -14.276 0.063 1.00 0.01 H \nATOM 3003 HG3 LYS A 191 8.956 -13.950 1.701 1.00 0.01 H \nATOM 3004 HD2 LYS A 191 8.587 -11.581 1.087 1.00 0.06 H \nATOM 3005 HD3 LYS A 191 9.266 -11.894 -0.547 1.00 0.06 H \nATOM 3006 HE2 LYS A 191 7.441 -13.468 -1.019 1.00 0.11 H \nATOM 3007 HE3 LYS A 191 6.772 -13.203 0.627 1.00 0.11 H \nATOM 3008 HZ1 LYS A 191 7.068 -11.128 -1.460 1.00 0.34 H \nATOM 3009 HZ2 LYS A 191 5.658 -11.863 -1.032 1.00 0.34 H \nATOM 3010 HZ3 LYS A 191 6.442 -10.896 0.045 1.00 0.34 H \nATOM 3011 H LYS A 191 10.827 -14.896 3.065 1.00 0.27 H \nATOM 3012 N GLU A 192 13.644 -12.995 2.689 1.00 -0.52 N \nATOM 3013 CA GLU A 192 14.908 -12.301 2.924 1.00 0.04 C \nATOM 3014 C GLU A 192 16.144 -13.184 2.732 1.00 0.54 C \nATOM 3015 O GLU A 192 17.165 -12.748 2.179 1.00 -0.58 O \nATOM 3016 CB GLU A 192 14.894 -11.700 4.330 1.00 0.06 C \nATOM 3017 CG GLU A 192 16.254 -11.352 4.873 1.00 0.01 C \nATOM 3018 CD GLU A 192 16.205 -11.020 6.347 1.00 0.81 C \nATOM 3019 OE1 GLU A 192 15.089 -11.005 6.917 1.00 -0.82 O \nATOM 3020 OE2 GLU A 192 17.282 -10.775 6.931 1.00 -0.82 O \nATOM 3021 HA GLU A 192 14.976 -11.478 2.197 1.00 0.11 H \nATOM 3022 HB2 GLU A 192 14.289 -10.782 4.305 1.00 -0.02 H \nATOM 3023 HB3 GLU A 192 14.428 -12.428 5.010 1.00 -0.02 H \nATOM 3024 HG2 GLU A 192 16.926 -12.210 4.724 1.00 -0.04 H \nATOM 3025 HG3 GLU A 192 16.643 -10.481 4.325 1.00 -0.04 H \nATOM 3026 H GLU A 192 13.011 -13.115 3.454 1.00 0.29 H \nATOM 3027 N VAL A 193 16.067 -14.425 3.211 1.00 -0.42 N \nATOM 3028 CA VAL A 193 17.159 -15.363 3.027 1.00 -0.09 C \nATOM 3029 C VAL A 193 17.353 -15.694 1.548 1.00 0.60 C \nATOM 3030 O VAL A 193 18.476 -15.816 1.056 1.00 -0.57 O \nATOM 3031 CB VAL A 193 16.924 -16.653 3.827 1.00 0.30 C \nATOM 3032 CG1 VAL A 193 17.987 -17.680 3.491 1.00 -0.32 C \nATOM 3033 CG2 VAL A 193 16.899 -16.339 5.323 1.00 -0.32 C \nATOM 3034 HA VAL A 193 18.080 -14.890 3.398 1.00 0.10 H \nATOM 3035 HB VAL A 193 15.945 -17.067 3.545 1.00 -0.03 H \nATOM 3036 HG11 VAL A 193 18.980 -17.273 3.733 1.00 0.08 H \nATOM 3037 HG12 VAL A 193 17.813 -18.594 4.078 1.00 0.08 H \nATOM 3038 HG13 VAL A 193 17.940 -17.919 2.418 1.00 0.08 H \nATOM 3039 HG21 VAL A 193 16.094 -15.620 5.533 1.00 0.08 H \nATOM 3040 HG22 VAL A 193 16.720 -17.265 5.889 1.00 0.08 H \nATOM 3041 HG23 VAL A 193 17.865 -15.907 5.623 1.00 0.08 H \nATOM 3042 H VAL A 193 15.246 -14.714 3.704 1.00 0.27 H \nATOM 3043 N ILE A 194 16.251 -15.830 0.831 1.00 -0.42 N \nATOM 3044 CA ILE A 194 16.338 -16.151 -0.587 1.00 -0.06 C \nATOM 3045 C ILE A 194 16.998 -15.031 -1.367 1.00 0.60 C \nATOM 3046 O ILE A 194 17.903 -15.270 -2.158 1.00 -0.57 O \nATOM 3047 CB ILE A 194 14.949 -16.439 -1.175 1.00 0.13 C \nATOM 3048 CG1 ILE A 194 14.480 -17.822 -0.737 1.00 -0.04 C \nATOM 3049 CG2 ILE A 194 14.980 -16.368 -2.690 1.00 -0.32 C \nATOM 3050 CD1 ILE A 194 13.021 -18.073 -1.041 1.00 -0.07 C \nATOM 3051 HA ILE A 194 16.954 -17.056 -0.694 1.00 0.09 H \nATOM 3052 HB ILE A 194 14.242 -15.685 -0.799 1.00 0.02 H \nATOM 3053 HG12 ILE A 194 15.083 -18.579 -1.260 1.00 0.02 H \nATOM 3054 HG13 ILE A 194 14.634 -17.917 0.348 1.00 0.02 H \nATOM 3055 HD11 ILE A 194 12.851 -17.980 -2.124 1.00 0.02 H \nATOM 3056 HD12 ILE A 194 12.747 -19.086 -0.712 1.00 0.02 H \nATOM 3057 HD13 ILE A 194 12.403 -17.335 -0.508 1.00 0.02 H \nATOM 3058 HG21 ILE A 194 15.698 -17.106 -3.077 1.00 0.09 H \nATOM 3059 HG22 ILE A 194 13.978 -16.587 -3.088 1.00 0.09 H \nATOM 3060 HG23 ILE A 194 15.286 -15.359 -3.004 1.00 0.09 H \nATOM 3061 H ILE A 194 15.357 -15.712 1.263 1.00 0.27 H \nATOM 3062 N LYS A 195 16.551 -13.800 -1.134 1.00 -0.35 N \nATOM 3063 CA LYS A 195 17.086 -12.654 -1.860 1.00 -0.24 C \nATOM 3064 C LYS A 195 18.580 -12.452 -1.588 1.00 0.73 C \nATOM 3065 O LYS A 195 19.337 -12.057 -2.478 1.00 -0.59 O \nATOM 3066 CB LYS A 195 16.290 -11.387 -1.526 1.00 -0.01 C \nATOM 3067 CG LYS A 195 14.812 -11.470 -1.893 1.00 0.02 C \nATOM 3068 CD LYS A 195 14.052 -10.235 -1.415 1.00 -0.05 C \nATOM 3069 CE LYS A 195 12.546 -10.374 -1.613 1.00 -0.01 C \nATOM 3070 NZ LYS A 195 12.169 -10.428 -3.051 1.00 -0.39 N \nATOM 3071 HA LYS A 195 16.968 -12.854 -2.935 1.00 0.14 H \nATOM 3072 HB2 LYS A 195 16.368 -11.204 -0.444 1.00 0.04 H \nATOM 3073 HB3 LYS A 195 16.736 -10.544 -2.074 1.00 0.04 H \nATOM 3074 HG2 LYS A 195 14.718 -11.548 -2.986 1.00 0.01 H \nATOM 3075 HG3 LYS A 195 14.376 -12.364 -1.423 1.00 0.01 H \nATOM 3076 HD2 LYS A 195 14.256 -10.085 -0.345 1.00 0.06 H \nATOM 3077 HD3 LYS A 195 14.405 -9.361 -1.981 1.00 0.06 H \nATOM 3078 HE2 LYS A 195 12.209 -11.300 -1.124 1.00 0.11 H \nATOM 3079 HE3 LYS A 195 12.047 -9.511 -1.149 1.00 0.11 H \nATOM 3080 HZ1 LYS A 195 12.623 -11.215 -3.488 1.00 0.34 H \nATOM 3081 HZ2 LYS A 195 11.169 -10.529 -3.133 1.00 0.34 H \nATOM 3082 HZ3 LYS A 195 12.459 -9.577 -3.507 1.00 0.34 H \nATOM 3083 H LYS A 195 15.836 -13.658 -0.449 1.00 0.27 H \nATOM 3084 N ARG A 196 19.007 -12.761 -0.369 1.00 -0.35 N \nATOM 3085 CA ARG A 196 20.392 -12.527 0.039 1.00 -0.26 C \nATOM 3086 C ARG A 196 21.405 -13.541 -0.504 1.00 0.73 C \nATOM 3087 O ARG A 196 22.538 -13.186 -0.834 1.00 -0.59 O \nATOM 3088 CB ARG A 196 20.477 -12.477 1.565 1.00 -0.00 C \nATOM 3089 CG ARG A 196 21.796 -11.948 2.099 1.00 0.04 C \nATOM 3090 CD ARG A 196 21.605 -11.279 3.457 1.00 0.05 C \nATOM 3091 NE ARG A 196 20.886 -12.135 4.400 1.00 -0.53 N \nATOM 3092 CZ ARG A 196 20.243 -11.696 5.480 1.00 0.81 C \nATOM 3093 NH1 ARG A 196 20.215 -10.400 5.766 1.00 -0.86 N \nATOM 3094 NH2 ARG A 196 19.618 -12.556 6.273 1.00 -0.86 N \nATOM 3095 HA ARG A 196 20.682 -11.541 -0.352 1.00 0.16 H \nATOM 3096 HB2 ARG A 196 19.670 -11.827 1.934 1.00 0.03 H \nATOM 3097 HB3 ARG A 196 20.333 -13.497 1.952 1.00 0.03 H \nATOM 3098 HG2 ARG A 196 22.503 -12.784 2.206 1.00 0.03 H \nATOM 3099 HG3 ARG A 196 22.203 -11.213 1.389 1.00 0.03 H \nATOM 3100 HD2 ARG A 196 22.594 -11.042 3.877 1.00 0.07 H \nATOM 3101 HD3 ARG A 196 21.034 -10.349 3.316 1.00 0.07 H \nATOM 3102 HE ARG A 196 20.876 -13.148 4.216 1.00 0.35 H \nATOM 3103 HH12 ARG A 196 19.715 -10.068 6.603 1.00 0.45 H \nATOM 3104 HH11 ARG A 196 20.693 -9.726 5.151 1.00 0.45 H \nATOM 3105 HH22 ARG A 196 19.120 -12.218 7.109 1.00 0.45 H \nATOM 3106 HH21 ARG A 196 19.630 -13.562 6.053 1.00 0.45 H \nATOM 3107 H ARG A 196 18.367 -13.163 0.285 1.00 0.27 H \nATOM 3108 N HIS A 197 21.004 -14.805 -0.594 1.00 -0.42 N \nATOM 3109 CA HIS A 197 21.958 -15.860 -0.922 1.00 0.02 C \nATOM 3110 C HIS A 197 21.647 -16.591 -2.223 1.00 0.60 C \nATOM 3111 O HIS A 197 22.495 -17.310 -2.746 1.00 -0.57 O \nATOM 3112 CB HIS A 197 22.058 -16.868 0.228 1.00 -0.05 C \nATOM 3113 CG HIS A 197 22.575 -16.280 1.508 1.00 -0.03 C \nATOM 3114 ND1 HIS A 197 23.888 -15.902 1.677 1.00 -0.38 N \nATOM 3115 CD2 HIS A 197 21.952 -16.018 2.681 1.00 0.13 C \nATOM 3116 CE1 HIS A 197 24.054 -15.422 2.898 1.00 0.21 C \nATOM 3117 NE2 HIS A 197 22.894 -15.483 3.529 1.00 -0.57 N \nATOM 3118 HA HIS A 197 22.942 -15.383 -1.042 1.00 0.09 H \nATOM 3119 HB2 HIS A 197 21.055 -17.280 0.416 1.00 0.04 H \nATOM 3120 HB3 HIS A 197 22.735 -17.678 -0.079 1.00 0.04 H \nATOM 3121 HD2 HIS A 197 20.903 -16.197 2.910 1.00 0.11 H \nATOM 3122 HE1 HIS A 197 24.986 -15.042 3.313 1.00 0.14 H \nATOM 3123 HD1 HIS A 197 24.626 -15.981 0.963 1.00 0.36 H \nATOM 3124 H HIS A 197 20.044 -15.034 -0.436 1.00 0.27 H \nATOM 3125 N SER A 198 20.437 -16.414 -2.744 1.00 -0.42 N \nATOM 3126 CA SER A 198 20.036 -17.124 -3.951 1.00 -0.02 C \nATOM 3127 C SER A 198 19.540 -16.223 -5.081 1.00 0.60 C \nATOM 3128 O SER A 198 18.473 -16.473 -5.644 1.00 -0.57 O \nATOM 3129 CB SER A 198 18.966 -18.174 -3.617 1.00 0.21 C \nATOM 3130 OG SER A 198 19.396 -19.045 -2.577 1.00 -0.65 O \nATOM 3131 HA SER A 198 20.925 -17.652 -4.325 1.00 0.08 H \nATOM 3132 HB2 SER A 198 18.048 -17.659 -3.296 1.00 0.04 H \nATOM 3133 HB3 SER A 198 18.756 -18.769 -4.518 1.00 0.04 H \nATOM 3134 HG SER A 198 18.714 -19.681 -2.394 1.00 0.43 H \nATOM 3135 H SER A 198 19.795 -15.787 -2.303 1.00 0.27 H \nATOM 3136 N GLU A 199 20.322 -15.206 -5.442 1.00 -0.52 N \nATOM 3137 CA GLU A 199 19.899 -14.255 -6.473 1.00 0.04 C \nATOM 3138 C GLU A 199 19.878 -14.844 -7.886 1.00 0.54 C \nATOM 3139 O GLU A 199 19.030 -14.483 -8.707 1.00 -0.58 O \nATOM 3140 CB GLU A 199 20.779 -12.995 -6.466 1.00 0.06 C \nATOM 3141 CG GLU A 199 20.350 -11.963 -7.512 1.00 0.01 C \nATOM 3142 CD GLU A 199 21.294 -10.773 -7.625 1.00 0.81 C \nATOM 3143 OE1 GLU A 199 22.190 -10.624 -6.765 1.00 -0.82 O \nATOM 3144 OE2 GLU A 199 21.136 -9.982 -8.582 1.00 -0.82 O \nATOM 3145 HA GLU A 199 18.871 -13.951 -6.228 1.00 0.11 H \nATOM 3146 HB2 GLU A 199 20.720 -12.531 -5.470 1.00 -0.02 H \nATOM 3147 HB3 GLU A 199 21.818 -13.292 -6.671 1.00 -0.02 H \nATOM 3148 HG2 GLU A 199 20.302 -12.461 -8.491 1.00 -0.04 H \nATOM 3149 HG3 GLU A 199 19.352 -11.589 -7.241 1.00 -0.04 H \nATOM 3150 H GLU A 199 21.212 -15.090 -5.002 1.00 0.29 H \nATOM 3151 N PHE A 200 20.819 -15.741 -8.166 1.00 -0.42 N \nATOM 3152 CA PHE A 200 21.023 -16.229 -9.526 1.00 -0.00 C \nATOM 3153 C PHE A 200 20.579 -17.679 -9.678 1.00 0.60 C \nATOM 3154 O PHE A 200 21.397 -18.572 -9.833 1.00 -0.57 O \nATOM 3155 CB PHE A 200 22.490 -16.077 -9.931 1.00 -0.03 C \nATOM 3156 CG PHE A 200 22.937 -14.649 -10.023 1.00 0.01 C \nATOM 3157 CD1 PHE A 200 22.489 -13.844 -11.053 1.00 -0.13 C \nATOM 3158 CD2 PHE A 200 23.783 -14.110 -9.074 1.00 -0.13 C \nATOM 3159 CE1 PHE A 200 22.872 -12.517 -11.138 1.00 -0.17 C \nATOM 3160 CE2 PHE A 200 24.186 -12.781 -9.159 1.00 -0.17 C \nATOM 3161 CZ PHE A 200 23.728 -11.988 -10.191 1.00 -0.11 C \nATOM 3162 HA PHE A 200 20.412 -15.614 -10.203 1.00 0.10 H \nATOM 3163 HB2 PHE A 200 23.113 -16.590 -9.184 1.00 0.03 H \nATOM 3164 HB3 PHE A 200 22.631 -16.551 -10.914 1.00 0.03 H \nATOM 3165 HD2 PHE A 200 24.136 -14.727 -8.256 1.00 0.13 H \nATOM 3166 HE2 PHE A 200 24.859 -12.369 -8.415 1.00 0.14 H \nATOM 3167 HZ PHE A 200 24.039 -10.952 -10.259 1.00 0.13 H \nATOM 3168 HE1 PHE A 200 22.502 -11.895 -11.945 1.00 0.14 H \nATOM 3169 HD1 PHE A 200 21.828 -14.258 -11.806 1.00 0.13 H \nATOM 3170 H PHE A 200 21.399 -16.088 -7.429 1.00 0.27 H \nATOM 3171 N VAL A 201 19.272 -17.888 -9.621 1.00 -0.42 N \nATOM 3172 CA VAL A 201 18.701 -19.209 -9.799 1.00 -0.09 C \nATOM 3173 C VAL A 201 17.840 -19.146 -11.047 1.00 0.60 C \nATOM 3174 O VAL A 201 17.056 -18.209 -11.222 1.00 -0.57 O \nATOM 3175 CB VAL A 201 17.906 -19.649 -8.552 1.00 0.30 C \nATOM 3176 CG1 VAL A 201 17.150 -20.939 -8.813 1.00 -0.32 C \nATOM 3177 CG2 VAL A 201 18.871 -19.821 -7.372 1.00 -0.32 C \nATOM 3178 HA VAL A 201 19.511 -19.935 -9.960 1.00 0.10 H \nATOM 3179 HB VAL A 201 17.178 -18.863 -8.303 1.00 -0.03 H \nATOM 3180 HG11 VAL A 201 17.862 -21.733 -9.085 1.00 0.08 H \nATOM 3181 HG12 VAL A 201 16.602 -21.233 -7.906 1.00 0.08 H \nATOM 3182 HG13 VAL A 201 16.438 -20.786 -9.638 1.00 0.08 H \nATOM 3183 HG21 VAL A 201 19.384 -18.868 -7.176 1.00 0.08 H \nATOM 3184 HG22 VAL A 201 18.307 -20.125 -6.478 1.00 0.08 H \nATOM 3185 HG23 VAL A 201 19.615 -20.594 -7.616 1.00 0.08 H \nATOM 3186 H VAL A 201 18.663 -17.114 -9.451 1.00 0.27 H \nATOM 3187 N ALA A 202 18.009 -20.130 -11.925 1.00 -0.42 N \nATOM 3188 CA ALA A 202 17.380 -20.085 -13.246 1.00 0.03 C \nATOM 3189 C ALA A 202 15.904 -20.482 -13.227 1.00 0.60 C \nATOM 3190 O ALA A 202 15.188 -20.281 -14.210 1.00 -0.57 O \nATOM 3191 CB ALA A 202 18.151 -20.960 -14.234 1.00 -0.18 C \nATOM 3192 HA ALA A 202 17.435 -19.045 -13.600 1.00 0.08 H \nATOM 3193 HB1 ALA A 202 17.666 -20.915 -15.220 1.00 0.06 H \nATOM 3194 HB2 ALA A 202 19.185 -20.595 -14.317 1.00 0.06 H \nATOM 3195 HB3 ALA A 202 18.157 -22.000 -13.876 1.00 0.06 H \nATOM 3196 H ALA A 202 18.576 -20.916 -11.678 1.00 0.27 H \nATOM 3197 N TYR A 203 15.454 -21.046 -12.112 1.00 -0.42 N \nATOM 3198 CA TYR A 203 14.081 -21.532 -12.012 1.00 -0.00 C \nATOM 3199 C TYR A 203 13.250 -20.664 -11.099 1.00 0.60 C \nATOM 3200 O TYR A 203 13.772 -20.030 -10.188 1.00 -0.57 O \nATOM 3201 CB TYR A 203 14.075 -22.989 -11.529 1.00 -0.02 C \nATOM 3202 CG TYR A 203 15.019 -23.822 -12.346 1.00 -0.00 C \nATOM 3203 CD1 TYR A 203 14.623 -24.345 -13.565 1.00 -0.19 C \nATOM 3204 CD2 TYR A 203 16.329 -24.037 -11.928 1.00 -0.19 C \nATOM 3205 CE1 TYR A 203 15.495 -25.083 -14.337 1.00 -0.23 C \nATOM 3206 CE2 TYR A 203 17.214 -24.771 -12.700 1.00 -0.23 C \nATOM 3207 CZ TYR A 203 16.787 -25.292 -13.904 1.00 0.32 C \nATOM 3208 OH TYR A 203 17.646 -26.023 -14.680 1.00 -0.56 O \nATOM 3209 HA TYR A 203 13.631 -21.498 -13.015 1.00 0.09 H \nATOM 3210 HB3 TYR A 203 14.385 -23.021 -10.474 1.00 0.03 H \nATOM 3211 HB2 TYR A 203 13.058 -23.397 -11.625 1.00 0.03 H \nATOM 3212 HD2 TYR A 203 16.662 -23.623 -10.983 1.00 0.17 H \nATOM 3213 HE2 TYR A 203 18.231 -24.934 -12.362 1.00 0.17 H \nATOM 3214 HE1 TYR A 203 15.165 -25.498 -15.283 1.00 0.17 H \nATOM 3215 HD1 TYR A 203 13.613 -24.172 -13.918 1.00 0.17 H \nATOM 3216 HH TYR A 203 17.198 -26.305 -15.469 1.00 0.40 H \nATOM 3217 H TYR A 203 16.066 -21.139 -11.327 1.00 0.27 H \nATOM 3218 N PRO A 204 11.933 -20.634 -11.339 1.00 -0.25 N \nATOM 3219 CA PRO A 204 11.085 -19.872 -10.432 1.00 -0.03 C \nATOM 3220 C PRO A 204 11.166 -20.446 -9.036 1.00 0.59 C \nATOM 3221 O PRO A 204 11.164 -21.666 -8.848 1.00 -0.57 O \nATOM 3222 CB PRO A 204 9.673 -20.056 -11.020 1.00 -0.01 C \nATOM 3223 CG PRO A 204 9.761 -21.239 -11.924 1.00 0.02 C \nATOM 3224 CD PRO A 204 11.177 -21.290 -12.418 1.00 0.02 C \nATOM 3225 HA PRO A 204 11.372 -18.810 -10.415 1.00 0.06 H \nATOM 3226 HD3 PRO A 204 11.284 -20.741 -13.365 1.00 0.04 H \nATOM 3227 HD2 PRO A 204 11.509 -22.329 -12.557 1.00 0.04 H \nATOM 3228 HG3 PRO A 204 9.067 -21.124 -12.770 1.00 0.02 H \nATOM 3229 HG2 PRO A 204 9.517 -22.159 -11.372 1.00 0.02 H \nATOM 3230 HB2 PRO A 204 8.945 -20.241 -10.217 1.00 0.03 H \nATOM 3231 HB3 PRO A 204 9.375 -19.162 -11.587 1.00 0.03 H \nATOM 3232 N ILE A 205 11.261 -19.569 -8.052 1.00 -0.42 N \nATOM 3233 CA ILE A 205 11.170 -20.017 -6.676 1.00 -0.06 C \nATOM 3234 C ILE A 205 9.801 -19.607 -6.128 1.00 0.60 C \nATOM 3235 O ILE A 205 9.491 -18.414 -6.038 1.00 -0.57 O \nATOM 3236 CB ILE A 205 12.305 -19.440 -5.832 1.00 0.13 C \nATOM 3237 CG1 ILE A 205 13.642 -19.907 -6.407 1.00 -0.04 C \nATOM 3238 CG2 ILE A 205 12.182 -19.903 -4.397 1.00 -0.32 C \nATOM 3239 CD1 ILE A 205 14.870 -19.468 -5.586 1.00 -0.07 C \nATOM 3240 HA ILE A 205 11.247 -21.114 -6.653 1.00 0.09 H \nATOM 3241 HB ILE A 205 12.257 -18.341 -5.862 1.00 0.02 H \nATOM 3242 HG12 ILE A 205 13.633 -21.006 -6.453 1.00 0.02 H \nATOM 3243 HG13 ILE A 205 13.742 -19.498 -7.423 1.00 0.02 H \nATOM 3244 HD11 ILE A 205 14.791 -19.869 -4.565 1.00 0.02 H \nATOM 3245 HD12 ILE A 205 15.785 -19.852 -6.061 1.00 0.02 H \nATOM 3246 HD13 ILE A 205 14.911 -18.369 -5.546 1.00 0.02 H \nATOM 3247 HG21 ILE A 205 12.221 -21.002 -4.362 1.00 0.09 H \nATOM 3248 HG22 ILE A 205 13.011 -19.488 -3.805 1.00 0.09 H \nATOM 3249 HG23 ILE A 205 11.225 -19.556 -3.981 1.00 0.09 H \nATOM 3250 H ILE A 205 11.395 -18.599 -8.256 1.00 0.27 H \nATOM 3251 N GLN A 206 8.967 -20.598 -5.821 1.00 -0.42 N \nATOM 3252 CA GLN A 206 7.625 -20.330 -5.299 1.00 -0.00 C \nATOM 3253 C GLN A 206 7.510 -20.462 -3.778 1.00 0.60 C \nATOM 3254 O GLN A 206 8.048 -21.396 -3.186 1.00 -0.57 O \nATOM 3255 CB GLN A 206 6.618 -21.237 -5.977 1.00 -0.00 C \nATOM 3256 CG GLN A 206 6.532 -21.061 -7.470 1.00 -0.06 C \nATOM 3257 CD GLN A 206 5.948 -22.278 -8.134 1.00 0.70 C \nATOM 3258 OE1 GLN A 206 5.810 -23.328 -7.510 1.00 -0.61 O \nATOM 3259 NE2 GLN A 206 5.601 -22.150 -9.409 1.00 -0.94 N \nATOM 3260 HA GLN A 206 7.376 -19.290 -5.556 1.00 0.09 H \nATOM 3261 HB2 GLN A 206 6.899 -22.280 -5.769 1.00 0.02 H \nATOM 3262 HB3 GLN A 206 5.626 -21.032 -5.548 1.00 0.02 H \nATOM 3263 HG2 GLN A 206 5.895 -20.192 -7.692 1.00 0.04 H \nATOM 3264 HG3 GLN A 206 7.542 -20.886 -7.868 1.00 0.04 H \nATOM 3265 HE22 GLN A 206 5.208 -22.927 -9.901 1.00 0.43 H \nATOM 3266 HE21 GLN A 206 5.733 -21.277 -9.878 1.00 0.43 H \nATOM 3267 H GLN A 206 9.263 -21.545 -5.949 1.00 0.27 H \nATOM 3268 N LEU A 207 6.824 -19.506 -3.152 1.00 -0.42 N \nATOM 3269 CA LEU A 207 6.557 -19.553 -1.720 1.00 -0.05 C \nATOM 3270 C LEU A 207 5.059 -19.755 -1.483 1.00 0.60 C \nATOM 3271 O LEU A 207 4.248 -18.990 -1.995 1.00 -0.57 O \nATOM 3272 CB LEU A 207 7.012 -18.269 -1.039 1.00 -0.11 C \nATOM 3273 CG LEU A 207 6.909 -18.267 0.490 1.00 0.35 C \nATOM 3274 CD1 LEU A 207 7.735 -19.396 1.142 1.00 -0.41 C \nATOM 3275 CD2 LEU A 207 7.331 -16.927 1.031 1.00 -0.41 C \nATOM 3276 HA LEU A 207 7.107 -20.400 -1.284 1.00 0.09 H \nATOM 3277 HB2 LEU A 207 8.064 -18.095 -1.309 1.00 0.05 H \nATOM 3278 HB3 LEU A 207 6.394 -17.444 -1.422 1.00 0.05 H \nATOM 3279 HG LEU A 207 5.854 -18.428 0.756 1.00 -0.04 H \nATOM 3280 HD21 LEU A 207 6.682 -16.143 0.615 1.00 0.10 H \nATOM 3281 HD22 LEU A 207 7.244 -16.930 2.128 1.00 0.10 H \nATOM 3282 HD23 LEU A 207 8.375 -16.729 0.746 1.00 0.10 H \nATOM 3283 HD11 LEU A 207 8.794 -19.282 0.867 1.00 0.10 H \nATOM 3284 HD12 LEU A 207 7.633 -19.340 2.236 1.00 0.10 H \nATOM 3285 HD13 LEU A 207 7.367 -20.371 0.788 1.00 0.10 H \nATOM 3286 H LEU A 207 6.481 -18.731 -3.682 1.00 0.27 H \nATOM 3287 N VAL A 208 4.707 -20.797 -0.727 1.00 -0.42 N \nATOM 3288 CA VAL A 208 3.307 -21.122 -0.437 1.00 -0.09 C \nATOM 3289 C VAL A 208 2.904 -20.510 0.889 1.00 0.60 C \nATOM 3290 O VAL A 208 3.408 -20.901 1.937 1.00 -0.57 O \nATOM 3291 CB VAL A 208 3.076 -22.685 -0.411 1.00 0.30 C \nATOM 3292 CG1 VAL A 208 1.594 -23.000 -0.143 1.00 -0.32 C \nATOM 3293 CG2 VAL A 208 3.491 -23.276 -1.727 1.00 -0.32 C \nATOM 3294 HA VAL A 208 2.677 -20.691 -1.230 1.00 0.10 H \nATOM 3295 HB VAL A 208 3.687 -23.125 0.391 1.00 -0.03 H \nATOM 3296 HG11 VAL A 208 0.975 -22.550 -0.933 1.00 0.08 H \nATOM 3297 HG12 VAL A 208 1.446 -24.090 -0.138 1.00 0.08 H \nATOM 3298 HG13 VAL A 208 1.302 -22.586 0.833 1.00 0.08 H \nATOM 3299 HG21 VAL A 208 4.554 -23.058 -1.908 1.00 0.08 H \nATOM 3300 HG22 VAL A 208 3.339 -24.365 -1.704 1.00 0.08 H \nATOM 3301 HG23 VAL A 208 2.884 -22.838 -2.533 1.00 0.08 H \nATOM 3302 H VAL A 208 5.425 -21.378 -0.344 1.00 0.27 H \nATOM 3303 N VAL A 209 1.996 -19.540 0.835 1.00 -0.42 N \nATOM 3304 CA VAL A 209 1.605 -18.779 2.009 1.00 -0.09 C \nATOM 3305 C VAL A 209 0.144 -19.061 2.336 1.00 0.60 C \nATOM 3306 O VAL A 209 -0.721 -19.024 1.465 1.00 -0.57 O \nATOM 3307 CB VAL A 209 1.811 -17.260 1.789 1.00 0.30 C \nATOM 3308 CG1 VAL A 209 1.425 -16.474 3.034 1.00 -0.32 C \nATOM 3309 CG2 VAL A 209 3.262 -16.968 1.405 1.00 -0.32 C \nATOM 3310 HA VAL A 209 2.228 -19.098 2.858 1.00 0.10 H \nATOM 3311 HB VAL A 209 1.161 -16.939 0.962 1.00 -0.03 H \nATOM 3312 HG11 VAL A 209 2.043 -16.804 3.882 1.00 0.08 H \nATOM 3313 HG12 VAL A 209 1.590 -15.401 2.856 1.00 0.08 H \nATOM 3314 HG13 VAL A 209 0.364 -16.649 3.264 1.00 0.08 H \nATOM 3315 HG21 VAL A 209 3.513 -17.509 0.481 1.00 0.08 H \nATOM 3316 HG22 VAL A 209 3.388 -15.887 1.243 1.00 0.08 H \nATOM 3317 HG23 VAL A 209 3.929 -17.297 2.215 1.00 0.08 H \nATOM 3318 H VAL A 209 1.568 -19.327 -0.043 1.00 0.27 H \nATOM 3319 N THR A 210 -0.112 -19.333 3.603 1.00 -0.42 N \nATOM 3320 CA THR A 210 -1.427 -19.730 4.061 1.00 -0.04 C \nATOM 3321 C THR A 210 -2.007 -18.634 4.935 1.00 0.60 C \nATOM 3322 O THR A 210 -1.555 -18.429 6.055 1.00 -0.57 O \nATOM 3323 CB THR A 210 -1.322 -21.018 4.881 1.00 0.37 C \nATOM 3324 OG1 THR A 210 -0.702 -22.028 4.080 1.00 -0.68 O \nATOM 3325 CG2 THR A 210 -2.703 -21.474 5.342 1.00 -0.24 C \nATOM 3326 HA THR A 210 -2.083 -19.898 3.194 1.00 0.10 H \nATOM 3327 HB THR A 210 -0.698 -20.829 5.767 1.00 0.00 H \nATOM 3328 HG1 THR A 210 -0.633 -22.832 4.582 1.00 0.41 H \nATOM 3329 HG23 THR A 210 -2.868 -21.151 6.380 1.00 0.06 H \nATOM 3330 HG21 THR A 210 -3.472 -21.029 4.693 1.00 0.06 H \nATOM 3331 HG22 THR A 210 -2.765 -22.571 5.285 1.00 0.06 H \nATOM 3332 H THR A 210 0.629 -19.262 4.270 1.00 0.27 H \nATOM 3333 N LYS A 211 -3.003 -17.927 4.418 1.00 -0.35 N \nATOM 3334 CA LYS A 211 -3.578 -16.805 5.140 1.00 -0.24 C \nATOM 3335 C LYS A 211 -5.079 -16.953 5.428 1.00 0.73 C \nATOM 3336 O LYS A 211 -5.857 -17.384 4.577 1.00 -0.59 O \nATOM 3337 CB LYS A 211 -3.297 -15.497 4.390 1.00 -0.01 C \nATOM 3338 CG LYS A 211 -3.724 -15.491 2.922 1.00 0.02 C \nATOM 3339 CD LYS A 211 -3.498 -14.122 2.277 1.00 -0.05 C \nATOM 3340 CE LYS A 211 -4.211 -13.017 3.057 1.00 -0.01 C \nATOM 3341 NZ LYS A 211 -3.999 -11.659 2.475 1.00 -0.39 N \nATOM 3342 HA LYS A 211 -3.068 -16.750 6.113 1.00 0.14 H \nATOM 3343 HB2 LYS A 211 -3.833 -14.686 4.905 1.00 0.04 H \nATOM 3344 HB3 LYS A 211 -2.215 -15.305 4.432 1.00 0.04 H \nATOM 3345 HG2 LYS A 211 -3.137 -16.244 2.376 1.00 0.01 H \nATOM 3346 HG3 LYS A 211 -4.793 -15.743 2.860 1.00 0.01 H \nATOM 3347 HD2 LYS A 211 -2.419 -13.908 2.258 1.00 0.06 H \nATOM 3348 HD3 LYS A 211 -3.886 -14.142 1.248 1.00 0.06 H \nATOM 3349 HE2 LYS A 211 -5.290 -13.232 3.061 1.00 0.11 H \nATOM 3350 HE3 LYS A 211 -3.833 -13.018 4.090 1.00 0.11 H \nATOM 3351 HZ1 LYS A 211 -4.340 -11.643 1.527 1.00 0.34 H \nATOM 3352 HZ2 LYS A 211 -4.498 -10.977 3.024 1.00 0.34 H \nATOM 3353 HZ3 LYS A 211 -3.015 -11.440 2.482 1.00 0.34 H \nATOM 3354 H LYS A 211 -3.364 -18.170 3.517 1.00 0.27 H \nATOM 3355 N GLU A 212 -5.478 -16.575 6.637 1.00 -0.52 N \nATOM 3356 CA GLU A 212 -6.878 -16.586 7.014 1.00 0.04 C \nATOM 3357 C GLU A 212 -7.636 -15.485 6.279 1.00 0.54 C \nATOM 3358 O GLU A 212 -7.148 -14.366 6.147 1.00 -0.58 O \nATOM 3359 CB GLU A 212 -7.020 -16.421 8.527 1.00 0.06 C \nATOM 3360 CG GLU A 212 -8.455 -16.515 9.025 1.00 0.01 C \nATOM 3361 CD GLU A 212 -8.539 -16.535 10.541 1.00 0.81 C \nATOM 3362 OE1 GLU A 212 -7.542 -16.938 11.184 1.00 -0.82 O \nATOM 3363 OE2 GLU A 212 -9.597 -16.143 11.082 1.00 -0.82 O \nATOM 3364 HA GLU A 212 -7.309 -17.556 6.727 1.00 0.11 H \nATOM 3365 HB2 GLU A 212 -6.430 -17.209 9.018 1.00 -0.02 H \nATOM 3366 HB3 GLU A 212 -6.620 -15.435 8.807 1.00 -0.02 H \nATOM 3367 HG2 GLU A 212 -9.017 -15.646 8.651 1.00 -0.04 H \nATOM 3368 HG3 GLU A 212 -8.905 -17.439 8.634 1.00 -0.04 H \nATOM 3369 H GLU A 212 -4.796 -16.275 7.304 1.00 0.29 H \nATOM 3370 N VAL A 213 -8.827 -15.809 5.789 1.00 -0.42 N \nATOM 3371 CA VAL A 213 -9.653 -14.834 5.090 1.00 -0.09 C \nATOM 3372 C VAL A 213 -10.439 -14.015 6.099 1.00 0.60 C \nATOM 3373 O VAL A 213 -11.065 -14.570 7.005 1.00 -0.57 O \nATOM 3374 CB VAL A 213 -10.640 -15.509 4.124 1.00 0.30 C \nATOM 3375 CG1 VAL A 213 -11.458 -14.455 3.381 1.00 -0.32 C \nATOM 3376 CG2 VAL A 213 -9.908 -16.432 3.152 1.00 -0.32 C \nATOM 3377 HA VAL A 213 -8.996 -14.165 4.515 1.00 0.10 H \nATOM 3378 HB VAL A 213 -11.334 -16.123 4.717 1.00 -0.03 H \nATOM 3379 HG11 VAL A 213 -10.782 -13.797 2.815 1.00 0.08 H \nATOM 3380 HG12 VAL A 213 -12.152 -14.952 2.687 1.00 0.08 H \nATOM 3381 HG13 VAL A 213 -12.030 -13.857 4.106 1.00 0.08 H \nATOM 3382 HG21 VAL A 213 -9.369 -17.206 3.717 1.00 0.08 H \nATOM 3383 HG22 VAL A 213 -10.637 -16.909 2.480 1.00 0.08 H \nATOM 3384 HG23 VAL A 213 -9.191 -15.845 2.558 1.00 0.08 H \nATOM 3385 H VAL A 213 -9.164 -16.744 5.902 1.00 0.27 H \nATOM 3386 N GLU A 214 -10.409 -12.696 5.944 1.00 -0.52 N \nATOM 3387 CA GLU A 214 -11.162 -11.807 6.830 1.00 0.04 C \nATOM 3388 C GLU A 214 -12.484 -11.377 6.194 1.00 0.54 C \nATOM 3389 O GLU A 214 -13.520 -12.021 6.378 1.00 -0.58 O \nATOM 3390 CB GLU A 214 -10.331 -10.569 7.194 1.00 0.06 C \nATOM 3391 CG GLU A 214 -8.996 -10.873 7.870 1.00 0.01 C \nATOM 3392 CD GLU A 214 -9.154 -11.425 9.277 1.00 0.81 C \nATOM 3393 OE1 GLU A 214 -9.540 -10.652 10.180 1.00 -0.82 O \nATOM 3394 OE2 GLU A 214 -8.892 -12.631 9.482 1.00 -0.82 O \nATOM 3395 HA GLU A 214 -11.387 -12.358 7.755 1.00 0.11 H \nATOM 3396 HB2 GLU A 214 -10.127 -10.009 6.269 1.00 -0.02 H \nATOM 3397 HB3 GLU A 214 -10.927 -9.945 7.877 1.00 -0.02 H \nATOM 3398 HG2 GLU A 214 -8.456 -11.613 7.262 1.00 -0.04 H \nATOM 3399 HG3 GLU A 214 -8.410 -9.944 7.922 1.00 -0.04 H \nATOM 3400 H GLU A 214 -9.860 -12.302 5.206 1.00 0.29 H \nTER 3401 GLU A 214 \nMASTER 0 0 0 0 0 0 0 0 3400 1 0 17 \nEND \n" }, { "path": "data/2yge_protein.ply", "content": "ply\nformat ascii 1.0\ncomment Generated by PyMesh\nelement vertex 591\nproperty float x\nproperty float y\nproperty float z\nproperty float charge\nproperty float hbond\nproperty float hphob\nproperty float nx\nproperty float ny\nproperty float nz\nproperty float si\nelement face 1090\nproperty list uchar int vertex_indices\nend_header\n27.495 -32.732 -1.641 -1.14003 -0 -0.4 -0.87073 -0.00540566 -0.491731 -0.638649\n29.2055 -31.972 -3.345 -0.182295 0 -0.4 -0.367151 -0.291813 -0.883202 -0.656014\n20.587 -33.8625 -15.957 -0.0885333 -0.609065 -4.5 0.617057 -0.681176 -0.394005 0.493777\n33.5895 -39.7125 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-0.207887 -0.568593 -0.0210417\n34.0394 -38.0269 2.47875 -0.0514025 -0.265749 -3.52076 0.837631 -0.378138 0.39419 -0.999913\n22.7574 -27.5661 -5.28562 -0.729609 -0.728672 -1.18748 0.880345 -0.353704 -0.316047 0.579624\n29.2179 -27.5972 -3.40512 -2.66051 -0.0341644 -0.4 -0.380636 -0.0852287 -0.920789 -0.735293\n18.0315 -36.6893 -1.15325 -0.685345 0 2.84978 0.294526 0.953758 0.0600063 0.371003\n26.9256 -39.1958 -0.3995 -0.822476 0 -3.5 0.376995 -0.474947 -0.795173 0.999863\n23.1268 -27.8367 -7.47909 -0.736422 0 -3.5 0.839398 0.509071 0.190418 -0.267411\n22.7194 -31.2089 -7.49788 -2.24282 -0.295584 -3.5 0.193025 -0.367984 0.909576 -0.285448\n21.5525 -27.3856 -15.3791 -0.693387 0 -3.5 0.500903 0.349893 -0.791625 -0.999906\n19.6206 -37.436 -12.0376 -0.322506 0 4.5 0.716735 -0.590487 0.370966 -0.46434\n17.3795 -28.2157 -2.1735 -1.86763 -0.579642 3.8 -0.423425 -0.845159 0.326218 0.438974\n20.6004 -23.7036 -7.933 -0.365231 0 -0.8 0.81018 0.504172 -0.299031 0.324323\n19.3027 -33.9049 0.435625 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-11.5665 -0.521657 -0.210725 -0.187938 0.775759 -0.219991 -0.591441 -0.1575\n34.4225 -35.216 -3.39936 -0.596532 -0.35868 -0.8 0.20949 0.952484 -0.221108 -0.389479\n30.3365 -24.2931 -0.81 0.510423 0.0127437 -3.5 -0.478956 0.787146 -0.38859 0.999891\n29.1375 -43.2363 -1.82416 -0.407362 0 4.5 -0.0657853 0.630291 -0.773567 -0.217008\n14.656 -28.5345 -0.91075 -1.12072 0 4.47969 0.856867 -0.424215 -0.292952 0.999898\n18.081 -34.731 -9.399 0.024653 0 4.5 0.479545 -0.261607 0.837614 0.38633\n18.0212 -36.7242 -9.28094 -0.778785 0 4.5 0.804876 -0.00766175 0.593393 0.0289047\n19.9184 -38.5569 -5.46275 -0.660039 0 1.9 0.84075 0.450153 -0.300835 -0.0737763\n17.4595 -29.6953 -4.7425 -1.06986 0 1.8 -0.225433 -0.75862 0.61129 0.168156\n23.8274 -24.5795 -2.59234 -0.539308 0 -0.8 0.821584 0.570008 0.00952763 0.999847\n21.6557 -30.613 -4.3275 -0.407532 0 -3.5 0.332529 -0.867619 -0.369677 -0.137753\n17.8411 -33.6328 0.220188 -0.658811 0 2.96857 0.461882 -0.336301 -0.820711 0.470007\n34.3734 -35.1946 -2.23481 -0.0942971 0 -0.8 0.182207 0.81615 -0.548362 0.426264\n17.8114 -32.1509 -0.351938 -0.70123 0 3.67375 0.287084 0.0334202 -0.957322 0.0259455\n20.7784 -25.257 -9.53337 -1.04131 0 -0.8 0.957984 0.27077 -0.0946098 0.424224\n15.7898 -34.0822 -6.35175 -0.608006 0 -0.7 0.989128 0.0408992 0.141255 0.0469787\n16.3695 -34.556 -8.5875 0.991442 0.587155 -0.4 0.531609 -0.318893 0.784665 0.86737\n15.7568 -34.6285 -3.97625 -0.0107305 0 -0.7 0.897325 0.421534 -0.130832 0.484872\n18.5364 -29.7908 -3.98981 -0.161907 0 -1.67371 -0.679434 -0.682705 0.268854 0.507438\n16.8294 -38.9501 -13.8288 -0.115676 0 4.5 -0.496715 -0.862357 0.0980503 0.154348\n27.0919 -36.4219 -2.28981 -0.0150477 0.0154297 -3.5 -0.498183 0.227156 -0.836788 -0.517667\n21.6333 -39.9971 -4.13494 -0.378689 0 -3.5 0.149561 0.76119 -0.631048 0.411357\n28.4172 -40.1353 0.000625 -1.12394 -0.0607624 0.770609 -0.106635 -0.00710837 -0.994273 0.922255\n16.6406 -41.445 -15.8182 -0.358089 0 -3.9 0.0436334 -0.708878 0.70398 -0.999933\n19.118 -40.487 -9.359 -1.73597 -0.212633 -3.5 -0.0461153 0.76485 -0.642555 -0.0956324\n21.4339 -41.3273 -7.05681 -0.554081 0 -3.5 0.423978 0.857153 -0.292458 0.313777\n16.9725 -45.5505 -10.354 -0.233149 0 -0.7 0.277917 -0.787518 -0.550071 -0.999944\n24.246 -33.6217 -13.7048 0.186952 0 -4.5 0.685702 -0.278092 -0.672665 -0.639501\n27.7332 -41.7075 -0.520198 -0.841868 -0.816619 4.5 0.0840037 0.442044 -0.893051 0.999596\n3 501 507 580\n3 414 507 501\n3 580 507 219\n3 218 501 580\n3 507 414 572\n3 135 414 501\n3 219 507 105\n3 570 580 219\n3 501 218 386\n3 580 548 218\n3 572 414 27\n3 572 105 507\n3 27 414 135\n3 386 135 501\n3 219 105 45\n3 570 548 580\n3 219 338 570\n3 218 465 386\n3 548 94 218\n3 572 27 98\n3 105 572 129\n3 498 27 135\n3 135 386 498\n3 45 105 129\n3 51 219 45\n3 570 402 548\n3 338 219 54\n3 338 553 570\n3 465 218 377\n3 498 386 465\n3 464 94 548\n3 218 94 377\n3 98 27 95\n3 10 572 98\n3 482 129 572\n3 498 95 27\n3 45 129 449\n3 54 219 51\n3 45 329 51\n3 570 553 402\n3 402 198 548\n3 398 338 54\n3 553 338 320\n3 377 424 465\n3 316 498 465\n3 377 94 464\n3 548 499 464\n3 98 95 439\n3 572 10 361\n3 10 98 439\n3 482 384 129\n3 361 482 572\n3 498 34 95\n3 384 449 129\n3 449 329 45\n3 398 54 51\n3 51 329 254\n3 198 402 553\n3 198 364 548\n3 28 338 398\n3 338 28 320\n3 320 443 553\n3 377 417 424\n3 424 575 465\n3 498 316 284\n3 575 316 465\n3 417 377 464\n3 548 364 499\n3 464 499 196\n3 34 439 95\n3 361 10 36\n3 10 439 36\n3 384 482 175\n3 482 361 540\n3 355 34 498\n3 545 449 384\n3 14 329 449\n3 254 398 51\n3 254 329 165\n3 553 319 198\n3 198 319 364\n3 28 398 468\n3 320 28 192\n3 443 320 92\n3 47 553 443\n3 400 424 417\n3 575 424 400\n3 316 202 284\n3 355 498 284\n3 316 575 573\n3 464 196 417\n3 364 566 499\n3 499 566 196\n3 439 34 328\n3 530 361 36\n3 439 176 36\n3 482 351 175\n3 175 554 384\n3 361 530 540\n3 540 351 482\n3 34 355 328\n3 545 14 449\n3 545 384 554\n3 329 14 165\n3 309 398 254\n3 531 254 165\n3 47 319 553\n3 566 364 319\n3 468 398 346\n3 192 28 468\n3 320 192 79\n3 320 79 92\n3 92 559 443\n3 216 47 443\n3 385 400 417\n3 575 400 237\n3 550 202 316\n3 284 202 471\n3 355 284 260\n3 575 237 573\n3 316 573 550\n3 196 305 417\n3 566 305 196\n3 328 341 439\n3 176 530 36\n3 341 176 439\n3 351 544 175\n3 175 544 554\n3 169 540 530\n3 351 540 470\n3 328 355 393\n3 14 545 495\n3 554 49 545\n3 165 14 156\n3 309 346 398\n3 254 531 309\n3 187 531 165\n3 319 47 370\n3 370 566 319\n3 468 346 442\n3 79 192 468\n3 79 577 92\n3 92 577 559\n3 267 443 559\n3 47 216 370\n3 443 267 216\n3 385 237 400\n3 417 305 385\n3 202 550 217\n3 288 471 202\n3 471 260 284\n3 393 355 260\n3 573 237 473\n3 550 573 211\n3 566 370 305\n3 341 328 432\n3 247 530 176\n3 176 341 67\n3 351 20 544\n3 554 544 84\n3 50 540 169\n3 530 410 169\n3 540 50 470\n3 470 20 351\n3 474 328 393\n3 545 49 495\n3 14 495 156\n3 344 49 554\n3 156 478 165\n3 346 309 442\n3 309 531 442\n3 531 187 567\n3 478 187 165\n3 578 468 442\n3 468 577 79\n3 559 577 579\n3 559 395 267\n3 216 385 370\n3 267 225 216\n3 385 225 237\n3 370 385 305\n3 550 211 217\n3 217 288 202\n3 471 288 433\n3 321 260 471\n3 321 393 260\n3 395 473 237\n3 189 573 473\n3 573 310 211\n3 432 328 474\n3 341 432 67\n3 410 530 247\n3 67 247 176\n3 544 20 245\n3 404 84 544\n3 554 84 72\n3 169 107 50\n3 169 410 166\n3 470 50 97\n3 268 20 470\n3 474 393 555\n3 49 455 495\n3 156 495 457\n3 49 344 455\n3 344 554 113\n3 478 156 457\n3 442 531 567\n3 187 514 567\n3 187 478 514\n3 578 282 468\n3 567 578 442\n3 468 282 577\n3 579 577 441\n3 579 395 559\n3 395 225 267\n3 216 225 385\n3 237 225 395\n3 211 172 217\n3 288 217 333\n3 433 288 306\n3 471 433 522\n3 321 471 522\n3 393 321 178\n3 395 181 473\n3 189 310 573\n3 189 473 181\n3 172 211 310\n3 474 511 432\n3 432 138 67\n3 410 247 212\n3 138 247 67\n3 245 20 279\n3 544 245 404\n3 72 84 404\n3 554 72 113\n3 169 77 107\n3 50 107 97\n3 410 212 166\n3 169 166 77\n3 315 470 97\n3 20 268 452\n3 470 315 268\n3 393 178 555\n3 474 555 369\n3 455 131 495\n3 457 495 131\n3 455 344 403\n3 344 113 354\n3 478 457 502\n3 108 567 514\n3 272 514 478\n3 241 282 578\n3 578 567 568\n3 577 282 241\n3 441 577 241\n3 441 505 579\n3 579 181 395\n3 217 172 333\n3 333 281 288\n3 281 306 288\n3 433 306 252\n3 522 433 252\n3 321 522 513\n3 513 178 321\n3 257 310 189\n3 257 189 181\n3 240 172 310\n3 511 474 369\n3 138 432 511\n3 247 16 212\n3 247 138 12\n3 279 20 452\n3 245 279 389\n3 404 245 389\n3 72 404 489\n3 113 72 489\n3 157 107 77\n3 97 107 429\n3 166 212 77\n3 315 97 429\n3 268 430 452\n3 275 268 315\n3 555 178 337\n3 555 392 369\n3 455 102 131\n3 457 131 102\n3 403 344 354\n3 68 455 403\n3 248 354 113\n3 502 457 234\n3 502 272 478\n3 567 108 568\n3 58 108 514\n3 272 300 514\n3 578 46 241\n3 568 46 578\n3 241 491 441\n3 441 293 505\n3 181 579 505\n3 172 542 333\n3 281 333 405\n3 460 306 281\n3 252 306 117\n3 25 522 252\n3 513 522 205\n3 178 513 337\n3 310 257 240\n3 542 257 181\n3 542 172 240\n3 379 511 369\n3 138 511 119\n3 16 247 12\n3 212 16 193\n3 12 138 119\n3 160 279 452\n3 576 389 279\n3 404 389 209\n3 404 209 489\n3 248 113 489\n3 107 157 429\n3 145 157 77\n3 212 145 77\n3 83 315 429\n3 430 268 275\n3 452 430 549\n3 275 315 151\n3 555 337 560\n3 555 560 392\n3 43 369 392\n3 455 68 102\n3 457 102 340\n3 354 313 403\n3 403 313 68\n3 354 248 463\n3 457 340 234\n3 502 234 86\n3 114 272 502\n3 108 58 568\n3 300 58 514\n3 272 488 300\n3 241 46 491\n3 426 46 568\n3 441 491 242\n3 293 441 242\n3 293 210 505\n3 542 181 505\n3 283 333 542\n3 333 283 405\n3 460 281 405\n3 460 117 306\n3 252 117 453\n3 205 522 25\n3 25 252 458\n3 140 513 205\n3 513 493 337\n3 542 240 257\n3 511 379 119\n3 278 379 369\n3 193 16 12\n3 193 145 212\n3 12 119 193\n3 279 160 576\n3 549 160 452\n3 389 576 561\n3 389 503 209\n3 209 164 489\n3 248 489 6\n3 83 429 157\n3 145 571 157\n3 83 151 315\n3 445 430 275\n3 226 549 430\n3 151 116 275\n3 493 560 337\n3 392 560 446\n3 369 43 278\n3 43 392 0\n3 102 68 365\n3 340 102 365\n3 354 249 313\n3 365 68 313\n3 248 253 463\n3 354 463 130\n3 416 234 340\n3 416 86 234\n3 86 15 502\n3 114 488 272\n3 15 114 502\n3 568 58 407\n3 300 547 58\n3 547 300 488\n3 46 426 491\n3 568 42 426\n3 242 491 391\n3 293 242 532\n3 293 378 210\n3 505 210 542\n3 210 283 542\n3 524 405 283\n3 460 405 233\n3 534 117 460\n3 117 534 453\n3 458 252 453\n3 25 458 205\n3 493 513 140\n3 140 205 104\n3 119 379 70\n3 236 379 278\n3 308 145 193\n3 119 269 193\n3 576 160 549\n3 561 576 137\n3 503 389 561\n3 209 503 164\n3 164 467 489\n3 467 6 489\n3 253 248 6\n3 221 83 157\n3 571 145 318\n3 221 157 571\n3 151 83 221\n3 445 226 430\n3 116 445 275\n3 552 549 226\n3 116 151 221\n3 560 493 213\n3 446 560 381\n3 392 446 0\n3 397 278 43\n3 43 0 397\n3 340 365 428\n3 354 130 249\n3 313 249 360\n3 360 365 313\n3 463 253 96\n3 130 463 170\n3 416 340 428\n3 86 416 266\n3 15 86 266\n3 114 15 488\n3 407 58 547\n3 407 435 568\n3 488 472 547\n3 491 426 391\n3 568 435 42\n3 426 42 421\n3 532 242 391\n3 378 293 532\n3 283 210 378\n3 437 405 524\n3 283 378 524\n3 437 233 405\n3 233 534 460\n3 215 453 534\n3 453 194 458\n3 458 307 205\n3 140 104 493\n3 104 205 307\n3 379 485 70\n3 70 269 119\n3 379 236 521\n3 521 236 278\n3 145 308 318\n3 269 308 193\n3 552 576 549\n3 137 576 122\n3 208 561 137\n3 561 388 503\n3 388 164 503\n3 467 164 109\n3 467 253 6\n3 318 182 571\n3 289 221 571\n3 445 516 226\n3 445 116 287\n3 287 116 221\n3 493 133 213\n3 381 560 213\n3 381 183 446\n3 446 397 0\n3 278 397 504\n3 428 365 360\n3 115 249 130\n3 360 249 115\n3 420 96 253\n3 463 96 7\n3 520 170 463\n3 170 115 130\n3 416 428 589\n3 416 440 266\n3 488 15 266\n3 177 407 547\n3 427 435 407\n3 488 206 472\n3 56 547 472\n3 391 426 421\n3 558 42 435\n3 42 558 421\n3 186 532 391\n3 378 532 524\n3 437 524 569\n3 233 437 534\n3 215 44 453\n3 222 215 534\n3 453 44 194\n3 458 194 307\n3 104 133 493\n3 307 133 104\n3 485 379 521\n3 485 269 70\n3 521 278 504\n3 308 425 318\n3 269 150 308\n3 122 576 552\n3 246 561 208\n3 561 246 388\n3 109 164 388\n3 153 467 109\n3 253 467 38\n3 425 182 318\n3 571 182 438\n3 289 287 221\n3 438 289 571\n3 445 287 516\n3 483 213 133\n3 483 381 213\n3 483 183 381\n3 183 352 446\n3 397 446 347\n3 1 504 397\n3 428 360 17\n3 360 115 17\n3 96 420 517\n3 253 38 420\n3 517 7 96\n3 520 463 7\n3 520 115 170\n3 589 428 480\n3 416 589 440\n3 523 266 440\n3 523 488 266\n3 407 177 427\n3 142 177 547\n3 427 52 435\n3 22 206 488\n3 469 472 206\n3 142 547 56\n3 431 56 472\n3 421 186 391\n3 435 251 558\n3 558 85 421\n3 569 532 186\n3 532 569 524\n3 569 583 437\n3 437 222 534\n3 239 44 215\n3 222 345 215\n3 374 194 44\n3 74 307 194\n3 74 133 307\n3 521 541 485\n3 486 269 485\n3 521 504 123\n3 425 308 150\n3 269 486 150\n3 388 246 299\n3 109 388 59\n3 467 153 38\n3 109 59 153\n3 182 425 184\n3 490 438 182\n3 197 287 289\n3 24 289 438\n3 516 287 203\n3 74 483 133\n3 582 183 483\n3 582 352 183\n3 352 347 446\n3 397 347 1\n3 258 504 1\n3 480 428 17\n3 520 17 115\n3 232 517 420\n3 38 101 420\n3 7 517 520\n3 589 480 440\n3 440 408 523\n3 523 22 488\n3 427 177 142\n3 562 52 427\n3 435 52 251\n3 22 303 206\n3 431 472 469\n3 265 469 206\n3 56 343 142\n3 431 343 56\n3 421 31 186\n3 462 558 251\n3 586 85 558\n3 421 85 31\n3 31 569 186\n3 569 331 583\n3 437 583 222\n3 374 44 239\n3 239 215 304\n3 146 345 222\n3 215 345 304\n3 74 194 374\n3 541 521 123\n3 541 447 485\n3 485 447 486\n3 123 504 419\n3 150 510 425\n3 486 415 150\n3 388 299 297\n3 388 297 59\n3 153 101 38\n3 59 297 153\n3 184 425 510\n3 490 182 184\n3 490 24 438\n3 287 197 323\n3 24 197 289\n3 203 287 323\n3 374 483 74\n3 582 483 374\n3 136 352 582\n3 352 375 347\n3 1 347 356\n3 419 504 258\n3 1 356 258\n3 520 480 17\n3 228 517 232\n3 508 232 420\n3 101 179 420\n3 480 520 517\n3 440 480 48\n3 440 48 408\n3 2 523 408\n3 523 204 22\n3 427 142 343\n3 52 562 251\n3 562 427 451\n3 204 303 22\n3 206 303 265\n3 461 431 469\n3 469 265 409\n3 431 171 343\n3 558 462 317\n3 251 562 462\n3 85 586 262\n3 586 558 434\n3 31 85 262\n3 31 39 569\n3 39 331 569\n3 583 331 527\n3 583 146 222\n3 374 239 180\n3 304 444 239\n3 146 200 345\n3 304 345 200\n3 541 123 419\n3 541 454 447\n3 63 486 447\n3 510 150 496\n3 486 63 415\n3 496 150 415\n3 153 297 101\n3 582 374 149\n3 352 136 423\n3 75 136 582\n3 375 352 423\n3 537 347 375\n3 347 537 356\n3 356 419 258\n3 480 517 228\n3 191 228 232\n3 357 232 508\n3 508 420 179\n3 546 179 101\n3 480 228 48\n3 155 408 48\n3 204 523 2\n3 408 155 2\n3 451 427 343\n3 26 562 451\n3 303 204 11\n3 303 362 265\n3 431 461 326\n3 353 461 469\n3 362 409 265\n3 366 469 409\n3 431 326 171\n3 171 581 343\n3 317 462 494\n3 434 558 317\n3 562 152 462\n3 586 57 262\n3 368 586 434\n3 31 262 39\n3 331 39 587\n3 587 527 331\n3 527 556 583\n3 146 583 556\n3 239 444 180\n3 149 374 180\n3 444 304 71\n3 200 146 118\n3 200 380 304\n3 541 419 497\n3 454 541 311\n3 447 454 332\n3 63 447 332\n3 496 422 510\n3 415 63 564\n3 415 564 496\n3 546 101 297\n3 476 582 149\n3 136 261 423\n3 136 75 261\n3 582 476 75\n3 339 375 423\n3 339 537 375\n3 356 537 214\n3 419 356 387\n3 228 191 155\n3 232 357 191\n3 8 357 508\n3 508 179 546\n3 155 48 228\n3 204 2 535\n3 155 535 2\n3 343 581 451\n3 515 562 26\n3 26 451 466\n3 11 204 535\n3 362 303 11\n3 326 461 73\n3 461 353 73\n3 353 469 366\n3 362 536 409\n3 89 366 409\n3 394 171 326\n3 581 171 41\n3 462 152 494\n3 227 317 494\n3 434 317 227\n3 152 562 230\n3 57 586 302\n3 148 262 57\n3 368 69 586\n3 368 434 227\n3 262 587 39\n3 587 556 527\n3 556 118 146\n3 444 543 180\n3 149 180 476\n3 71 304 380\n3 256 444 71\n3 200 118 80\n3 380 200 80\n3 497 419 263\n3 497 311 541\n3 322 454 311\n3 332 454 322\n3 564 63 332\n3 159 422 496\n3 564 159 496\n3 261 373 423\n3 476 261 75\n3 55 339 423\n3 13 537 339\n3 76 214 537\n3 214 387 356\n3 263 419 387\n3 155 191 456\n3 191 357 456\n3 357 8 456\n3 508 231 8\n3 546 533 508\n3 450 535 155\n3 466 451 581\n3 562 515 230\n3 515 26 518\n3 518 26 466\n3 11 535 82\n3 362 11 82\n3 207 326 73\n3 353 207 73\n3 366 127 353\n3 362 82 536\n3 89 409 536\n3 127 366 89\n3 585 171 394\n3 326 207 394\n3 171 37 41\n3 121 581 41\n3 494 152 294\n3 167 227 494\n3 294 152 230\n3 586 60 302\n3 57 302 148\n3 587 262 148\n3 368 557 69\n3 586 69 60\n3 368 227 479\n3 556 587 5\n3 301 118 556\n3 543 444 277\n3 180 543 476\n3 298 71 380\n3 134 444 256\n3 229 256 71\n3 118 301 80\n3 80 298 380\n3 139 497 263\n3 497 139 311\n3 173 322 311\n3 4 564 332\n3 373 261 371\n3 312 423 373\n3 371 261 476\n3 339 55 13\n3 312 55 423\n3 13 481 537\n3 477 214 76\n3 76 537 270\n3 477 387 214\n3 387 132 263\n3 450 155 456\n3 231 508 533\n3 535 450 30\n3 581 121 466\n3 141 518 466\n3 82 535 342\n3 353 383 207\n3 353 127 383\n3 37 171 585\n3 394 154 585\n3 154 394 207\n3 41 37 33\n3 350 121 41\n3 294 9 494\n3 227 167 479\n3 167 494 280\n3 60 90 302\n3 292 148 302\n3 587 148 62\n3 368 91 557\n3 69 557 90\n3 60 69 90\n3 368 479 91\n3 459 5 587\n3 526 556 5\n3 301 556 526\n3 277 444 134\n3 277 584 543\n3 543 259 476\n3 229 71 298\n3 134 256 195\n3 256 229 195\n3 301 296 80\n3 80 296 298\n3 263 111 139\n3 311 139 173\n3 173 128 322\n3 373 371 348\n3 312 373 66\n3 476 259 371\n3 13 55 481\n3 481 55 312\n3 481 270 537\n3 76 112 477\n3 112 76 270\n3 132 387 477\n3 506 263 132\n3 450 456 273\n3 30 450 291\n3 535 30 342\n3 466 121 350\n3 466 350 141\n3 383 154 207\n3 33 350 41\n3 294 238 9\n3 494 9 99\n3 479 167 280\n3 280 494 99\n3 302 90 292\n3 62 148 292\n3 62 459 587\n3 557 91 448\n3 557 292 90\n3 448 91 479\n3 526 5 459\n3 526 325 301\n3 487 277 134\n3 584 277 590\n3 543 584 259\n3 296 229 298\n3 195 487 134\n3 229 436 195\n3 325 296 301\n3 111 263 506\n3 111 128 139\n3 128 173 139\n3 371 276 348\n3 373 348 143\n3 143 66 373\n3 110 312 66\n3 371 259 334\n3 100 481 312\n3 270 481 574\n3 477 112 285\n3 270 250 112\n3 162 132 477\n3 132 162 506\n3 19 450 273\n3 291 450 19\n3 342 30 291\n3 238 294 21\n3 238 363 9\n3 9 363 99\n3 18 479 280\n3 62 292 61\n3 40 459 62\n3 557 448 61\n3 61 292 557\n3 500 448 479\n3 324 526 459\n3 324 325 526\n3 590 277 487\n3 174 584 590\n3 259 584 334\n3 144 229 296\n3 487 195 126\n3 144 436 229\n3 195 436 126\n3 296 325 144\n3 111 506 64\n3 125 128 111\n3 371 334 276\n3 276 243 348\n3 143 348 243\n3 143 349 66\n3 312 110 100\n3 110 66 390\n3 481 100 563\n3 563 574 481\n3 399 270 574\n3 250 285 112\n3 162 477 285\n3 250 270 399\n3 506 162 53\n3 528 479 18\n3 280 588 18\n3 40 62 61\n3 459 40 199\n3 40 61 448\n3 448 500 413\n3 479 528 500\n3 199 324 459\n3 538 325 324\n3 88 590 487\n3 174 334 584\n3 590 88 174\n3 161 487 126\n3 144 538 436\n3 436 519 126\n3 325 538 144\n3 125 111 64\n3 276 334 223\n3 243 276 223\n3 143 243 396\n3 349 143 396\n3 66 349 390\n3 110 327 100\n3 295 110 390\n3 563 100 87\n3 574 563 551\n3 250 399 574\n3 335 285 250\n3 162 285 53\n3 235 528 18\n3 588 235 18\n3 40 413 199\n3 40 448 413\n3 500 220 413\n3 500 528 188\n3 199 78 324\n3 324 78 538\n3 565 88 487\n3 334 174 223\n3 88 565 174\n3 106 487 161\n3 519 161 126\n3 538 519 436\n3 223 93 243\n3 243 264 396\n3 286 349 396\n3 390 349 244\n3 295 327 110\n3 87 100 327\n3 295 390 525\n3 87 525 563\n3 551 563 124\n3 574 551 382\n3 382 250 574\n3 250 29 335\n3 413 512 199\n3 500 188 220\n3 413 220 271\n3 528 290 188\n3 512 78 199\n3 367 538 78\n3 565 487 106\n3 314 223 174\n3 565 314 174\n3 106 161 509\n3 161 519 336\n3 519 538 367\n3 223 163 93\n3 93 185 243\n3 3 264 243\n3 286 396 264\n3 349 286 32\n3 244 349 32\n3 390 244 35\n3 327 295 525\n3 525 87 327\n3 525 390 35\n3 330 563 525\n3 124 563 330\n3 250 382 29\n3 413 271 512\n3 188 271 220\n3 188 290 190\n3 512 367 78\n3 509 565 106\n3 163 223 314\n3 314 565 358\n3 336 509 161\n3 336 519 406\n3 367 147 519\n3 412 93 163\n3 185 3 243\n3 264 3 475\n3 264 372 286\n3 32 286 65\n3 244 32 65\n3 120 35 244\n3 330 525 35\n3 330 274 124\n3 271 484 512\n3 188 190 271\n3 190 290 103\n3 484 367 512\n3 565 509 358\n3 376 509 336\n3 147 406 519\n3 376 336 406\n3 367 224 147\n3 3 185 492\n3 492 475 3\n3 286 372 65\n3 244 65 120\n3 274 35 120\n3 274 330 35\n3 484 271 401\n3 401 271 190\n3 529 190 103\n3 367 484 81\n3 406 147 158\n3 224 367 81\n3 359 147 224\n3 475 492 201\n3 372 120 65\n3 274 120 372\n3 529 484 401\n3 529 401 190\n3 81 484 411\n3 147 359 158\n3 359 224 81\n3 201 492 418\n3 475 201 255\n3 484 529 411\n3 411 359 81\n3 418 539 201\n3 255 201 168\n3 168 201 539\n3 539 23 168\n" }, { "path": "data/4f2w_ligand.mol2", "content": "#\tName:\t\t\t4f2w_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:48:38 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:48:38 2018\n\n@MOLECULE\n4f2w_ligand\n 40 42 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 C2 3.0000 -21.9940 -10.8670 C.ar 1 TDI 0.4700 \n 2 C4 3.7900 -20.5980 -12.6010 C.ar 1 TDI 0.2560 \n 3 C5 4.0860 -21.7080 -13.3130 C.ar 1 TDI -0.1516 \n 4 C6 3.8820 -22.9550 -12.8060 C.ar 1 TDI 0.4100 \n 5 CS5 9.9710 -18.9300 -9.6870 C.3 1 TDI 0.2300 \n 6 S 8.3350 -19.3250 -9.1480 S.3 1 TDI -0.4600 \n 7 C5' 7.4080 -19.0750 -10.6940 C.3 1 TDI 0.2300 \n 8 C4' 6.9680 -17.5910 -10.8690 C.3 1 TDI 0.0000 \n 9 C1' 6.3450 -17.3770 -12.2170 C.3 1 TDI 0.5030 \n 10 N1' 4.8750 -17.3790 -11.9880 N.4 1 TDI -0.9590 \n 11 C10 3.9620 -18.0310 -12.9690 C.3 1 TDI 0.6840 \n 12 C9 4.1520 -19.5210 -13.3100 C.2 1 TDI -0.1810 \n 13 C8 4.6350 -19.9420 -14.4590 C.2 1 TDI -0.3016 \n 14 N7 4.6020 -21.2760 -14.4440 N.pl3 1 TDI 0.0332 \n 15 N6 4.1990 -24.0530 -13.5330 N.pl3 1 TDI -0.9000 \n 16 N1 3.3530 -23.1310 -11.5900 N.ar 1 TDI -0.6200 \n 17 N3 3.2180 -20.7410 -11.3970 N.ar 1 TDI -0.5660 \n 18 C2' 4.5940 -17.7120 -10.5840 C.3 1 TDI 0.5030 \n 19 C3' 5.8650 -17.1400 -9.9260 C.3 1 TDI 0.2800 \n 20 O3' 5.8470 -15.6990 -9.7680 O.3 1 TDI -0.6800 \n 21 H1 2.5526 -22.0952 -9.8848 H 1 TDI 0.1500 \n 22 H2 10.6702 -19.0358 -8.8444 H 1 TDI 0.0000 \n 23 H3 9.9954 -17.8940 -10.0559 H 1 TDI 0.0000 \n 24 H4 10.2658 -19.6144 -10.4961 H 1 TDI 0.0000 \n 25 H5 6.5120 -19.7130 -10.6795 H 1 TDI 0.0000 \n 26 H6 8.0471 -19.3596 -11.5428 H 1 TDI 0.0000 \n 27 H7 7.8537 -16.9509 -10.7429 H 1 TDI 0.0000 \n 28 H8 6.6270 -18.1894 -12.9029 H 1 TDI 0.0000 \n 29 H9 6.6658 -16.4131 -12.6388 H 1 TDI 0.0000 \n 30 H10 4.6252 -16.4061 -12.0719 H 1 TDI 0.4500 \n 31 H11 4.0552 -17.4729 -13.9123 H 1 TDI 0.0000 \n 32 H12 2.9402 -17.9206 -12.5770 H 1 TDI 0.0000 \n 33 H13 4.9959 -19.3160 -15.2738 H 1 TDI 0.1500 \n 34 H14 4.9332 -21.8813 -15.2087 H 1 TDI 0.2700 \n 35 H15 4.0414 -24.9927 -13.1419 H 1 TDI 0.4000 \n 36 H16 4.5976 -23.9482 -14.4769 H 1 TDI 0.4000 \n 37 H17 4.5054 -18.7975 -10.4298 H 1 TDI 0.0000 \n 38 H18 3.6836 -17.2142 -10.2187 H 1 TDI 0.0000 \n 39 H19 6.0056 -17.5907 -8.9325 H 1 TDI 0.0000 \n 40 H20 6.6563 -15.4163 -9.3584 H 1 TDI 0.4000 \n@BOND\n 1 1 16 ar \n 2 17 1 ar \n 3 2 3 ar \n 4 12 2 1 \n 5 2 17 ar \n 6 3 4 ar \n 7 3 14 1 \n 8 4 15 1 \n 9 4 16 ar \n 10 6 5 1 \n 11 7 6 1 \n 12 8 7 1 \n 13 9 8 1 \n 14 8 19 1 \n 15 10 9 1 \n 16 11 10 1 \n 17 10 18 1 \n 18 11 12 1 \n 19 12 13 2 \n 20 13 14 1 \n 21 18 19 1 \n 22 19 20 1 \n 23 1 21 1 \n 24 5 22 1 \n 25 5 23 1 \n 26 5 24 1 \n 27 7 25 1 \n 28 7 26 1 \n 29 8 27 1 \n 30 9 28 1 \n 31 9 29 1 \n 32 10 30 1 \n 33 11 31 1 \n 34 11 32 1 \n 35 13 33 1 \n 36 14 34 1 \n 37 15 35 1 \n 38 15 36 1 \n 39 18 37 1 \n 40 18 38 1 \n 41 19 39 1 \n 42 20 40 1 \n@SUBSTRUCTURE\n 1 TDI 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 5 CR 7 CR 8 CR 9 CR 11 CR 18 CR 19 CR 13 C5A 3 C5A 12 C5B 2 C5B \\\n1 CB 4 CB 21 HC 22 HC 23 HC 24 HC 25 HC 26 HC 27 HC 28 HC \\\n29 HC 31 HC 32 HC 33 HC 37 HC 38 HC 39 HC 34 HPYL 35 HNCC \\\n36 HNCC 30 HNR+ 40 HOR 20 OR 16 NPYD 17 NPYD 14 NPYL \\\n10 NR+ 15 NC=N 6 S\n" }, { "path": "data/4f2w_protein.pdb", "content": "HEADER 4F2W_PROTEIN \nCOMPND 4F2W_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 12-MAR-16 \nSEQRES 1 A 231 MET LYS ILE GLY ILE ILE GLY ALA MET GLU GLU GLU VAL \nSEQRES 2 A 231 THR LEU LEU ARG ASP LYS ILE ASP ASN ARG GLN THR ILE \nSEQRES 3 A 231 THR LEU GLY GLY CYS GLU ILE TYR THR GLY GLN LEU ASN \nSEQRES 4 A 231 GLY THR GLU VAL ALA LEU LEU LYS SER GLY ILE GLY LYS \nSEQRES 5 A 231 VAL ALA ALA ALA LEU GLY ALA THR LEU LEU LEU GLU HIS \nSEQRES 6 A 231 CYS LYS PRO ASP VAL ILE ILE ASN THR GLY SER ALA GLY \nSEQRES 7 A 231 GLY LEU ALA SER THR LEU LYS VAL GLY ASP ILE VAL VAL \nSEQRES 8 A 231 SER ASP GLU THR ARG TYR HIS ASP ALA ASP VAL THR ALA \nSEQRES 9 A 231 PHE GLY TYR GLU TYR GLY GLN LEU PRO GLY CYS PRO ALA \nSEQRES 10 A 231 GLY PHE LYS ALA ASP ASP LYS LEU ILE ALA ALA ALA GLU \nSEQRES 11 A 231 SER CYS ILE ARG GLU LEU ASN LEU ASN ALA VAL ARG GLY \nSEQRES 12 A 231 LEU ILE VAL SER GLY ASP ALA PHE ILE ASN GLY SER VAL \nSEQRES 13 A 231 GLY LEU ALA LYS ILE ARG HIS ASN PHE PRO ASP ALA VAL \nSEQRES 14 A 231 ALA VAL GLU MET GLU ALA THR ALA ILE ALA HIS VAL CYS \nSEQRES 15 A 231 HIS ASN PHE ASN VAL PRO PHE VAL VAL VAL ARG ALA ILE \nSEQRES 16 A 231 SER ASP VAL ALA ASP GLN GLN SER HIS LEU SER PHE ASP \nSEQRES 17 A 231 GLU PHE LEU ALA VAL ALA ALA LYS GLN SER THR LEU MET \nSEQRES 18 A 231 VAL GLU THR LEU VAL GLN LYS LEU ALA HIS \nSEQRES 1 B 237 LEU VAL PRO ARG GLY SER HIS MET LYS ILE GLY ILE ILE \nSEQRES 2 B 237 GLY ALA MET GLU GLU GLU VAL THR LEU LEU ARG ASP LYS \nSEQRES 3 B 237 ILE ASP ASN ARG GLN THR ILE THR LEU GLY GLY CYS GLU \nSEQRES 4 B 237 ILE TYR THR GLY GLN LEU ASN GLY THR GLU VAL ALA LEU \nSEQRES 5 B 237 LEU LYS SER GLY ILE GLY LYS VAL ALA ALA ALA LEU GLY \nSEQRES 6 B 237 ALA THR LEU LEU LEU GLU HIS CYS LYS PRO ASP VAL ILE \nSEQRES 7 B 237 ILE ASN THR GLY SER ALA GLY GLY LEU ALA SER THR LEU \nSEQRES 8 B 237 LYS VAL GLY ASP ILE VAL VAL SER ASP GLU THR ARG TYR \nSEQRES 9 B 237 HIS ASP ALA ASP VAL THR ALA PHE GLY TYR GLU TYR GLY \nSEQRES 10 B 237 GLN LEU PRO GLY CYS PRO ALA GLY PHE LYS ALA ASP ASP \nSEQRES 11 B 237 LYS LEU ILE ALA ALA ALA GLU SER CYS ILE ARG GLU LEU \nSEQRES 12 B 237 ASN LEU ASN ALA VAL ARG GLY LEU ILE VAL SER GLY ASP \nSEQRES 13 B 237 ALA PHE ILE ASN GLY SER VAL GLY LEU ALA LYS ILE ARG \nSEQRES 14 B 237 HIS ASN PHE PRO ASP ALA VAL ALA VAL GLU MET GLU ALA \nSEQRES 15 B 237 THR ALA ILE ALA HIS VAL CYS HIS ASN PHE ASN VAL PRO \nSEQRES 16 B 237 PHE VAL VAL VAL ARG ALA ILE SER ASP VAL ALA ASP GLN \nSEQRES 17 B 237 GLN SER HIS LEU SER PHE ASP GLU PHE LEU ALA VAL ALA \nSEQRES 18 B 237 ALA LYS GLN SER THR LEU MET VAL GLU THR LEU VAL GLN \nSEQRES 19 B 237 LYS LEU ALA \nATOM 1 N MET A 1 -6.701 9.518 -16.076 1.00 -0.82 N \nATOM 2 CA MET A 1 -6.771 8.111 -16.582 1.00 0.04 C \nATOM 3 C MET A 1 -5.494 7.334 -16.240 1.00 0.62 C \nATOM 4 O MET A 1 -4.464 7.540 -16.889 1.00 -0.50 O \nATOM 5 CB MET A 1 -6.984 8.146 -18.099 1.00 -0.15 C \nATOM 6 CG MET A 1 -6.844 6.818 -18.826 1.00 -0.05 C \nATOM 7 SD MET A 1 -7.701 5.455 -18.027 1.00 0.74 S \nATOM 8 CE MET A 1 -7.962 4.362 -19.422 1.00 -0.13 C \nATOM 9 HA MET A 1 -7.626 7.605 -16.110 1.00 0.05 H \nATOM 10 HB2 MET A 1 -7.999 8.527 -18.287 1.00 0.03 H \nATOM 11 HB3 MET A 1 -6.247 8.842 -18.526 1.00 0.03 H \nATOM 12 HG2 MET A 1 -7.250 6.935 -19.841 1.00 0.07 H \nATOM 13 HG3 MET A 1 -5.775 6.567 -18.886 1.00 0.07 H \nATOM 14 HE1 MET A 1 -6.991 4.088 -19.860 1.00 0.07 H \nATOM 15 HE2 MET A 1 -8.481 3.453 -19.084 1.00 0.07 H \nATOM 16 HE3 MET A 1 -8.575 4.874 -20.179 1.00 0.07 H \nATOM 17 H MET A 1 -5.881 9.839 -15.602 1.00 0.30 H \nATOM 18 HNCA MET A 1 -7.490 10.150 -16.215 1.00 0.30 H \nATOM 19 N LYS A 2 -5.537 6.437 -15.247 1.00 -0.35 N \nATOM 20 CA LYS A 2 -4.290 5.798 -14.784 1.00 -0.24 C \nATOM 21 C LYS A 2 -4.388 4.294 -14.633 1.00 0.73 C \nATOM 22 O LYS A 2 -5.266 3.791 -13.920 1.00 -0.59 O \nATOM 23 CB LYS A 2 -3.782 6.404 -13.475 1.00 -0.01 C \nATOM 24 CG LYS A 2 -2.328 6.043 -13.203 1.00 0.02 C \nATOM 25 CD LYS A 2 -1.898 6.360 -11.778 1.00 -0.05 C \nATOM 26 CE LYS A 2 -1.761 7.853 -11.527 1.00 -0.01 C \nATOM 27 NZ LYS A 2 -1.610 8.108 -10.061 1.00 -0.39 N \nATOM 28 HA LYS A 2 -3.532 5.997 -15.556 1.00 0.14 H \nATOM 29 HB2 LYS A 2 -3.871 7.499 -13.533 1.00 0.04 H \nATOM 30 HB3 LYS A 2 -4.401 6.029 -12.647 1.00 0.04 H \nATOM 31 HG2 LYS A 2 -2.195 4.965 -13.379 1.00 0.01 H \nATOM 32 HG3 LYS A 2 -1.690 6.609 -13.897 1.00 0.01 H \nATOM 33 HD2 LYS A 2 -2.649 5.954 -11.085 1.00 0.06 H \nATOM 34 HD3 LYS A 2 -0.926 5.880 -11.588 1.00 0.06 H \nATOM 35 HE2 LYS A 2 -0.875 8.233 -12.057 1.00 0.11 H \nATOM 36 HE3 LYS A 2 -2.659 8.370 -11.897 1.00 0.11 H \nATOM 37 HZ1 LYS A 2 -0.792 7.628 -9.719 1.00 0.34 H \nATOM 38 HZ2 LYS A 2 -1.510 9.098 -9.901 1.00 0.34 H \nATOM 39 HZ3 LYS A 2 -2.426 7.770 -9.575 1.00 0.34 H \nATOM 40 H LYS A 2 -6.410 6.201 -14.821 1.00 0.27 H \nATOM 41 N ILE A 3 -3.468 3.597 -15.302 1.00 -0.42 N \nATOM 42 CA ILE A 3 -3.533 2.157 -15.414 1.00 -0.06 C \nATOM 43 C ILE A 3 -2.438 1.545 -14.516 1.00 0.60 C \nATOM 44 O ILE A 3 -1.243 1.836 -14.686 1.00 -0.57 O \nATOM 45 CB ILE A 3 -3.350 1.663 -16.858 1.00 0.13 C \nATOM 46 CG1 ILE A 3 -4.277 2.386 -17.865 1.00 -0.04 C \nATOM 47 CG2 ILE A 3 -3.515 0.158 -16.919 1.00 -0.32 C \nATOM 48 CD1 ILE A 3 -5.681 1.860 -17.957 1.00 -0.07 C \nATOM 49 HA ILE A 3 -4.519 1.824 -15.058 1.00 0.09 H \nATOM 50 HB ILE A 3 -2.316 1.894 -17.153 1.00 0.02 H \nATOM 51 HG12 ILE A 3 -4.332 3.445 -17.572 1.00 0.02 H \nATOM 52 HG13 ILE A 3 -3.820 2.304 -18.862 1.00 0.02 H \nATOM 53 HD11 ILE A 3 -6.166 1.935 -16.973 1.00 0.02 H \nATOM 54 HD12 ILE A 3 -6.247 2.452 -18.691 1.00 0.02 H \nATOM 55 HD13 ILE A 3 -5.658 0.807 -18.275 1.00 0.02 H \nATOM 56 HG21 ILE A 3 -4.518 -0.116 -16.560 1.00 0.09 H \nATOM 57 HG22 ILE A 3 -3.392 -0.183 -17.958 1.00 0.09 H \nATOM 58 HG23 ILE A 3 -2.755 -0.320 -16.284 1.00 0.09 H \nATOM 59 H ILE A 3 -2.712 4.084 -15.738 1.00 0.27 H \nATOM 60 N GLY A 4 -2.856 0.685 -13.591 1.00 -0.42 N \nATOM 61 CA GLY A 4 -1.919 -0.060 -12.750 1.00 -0.03 C \nATOM 62 C GLY A 4 -1.534 -1.368 -13.402 1.00 0.60 C \nATOM 63 O GLY A 4 -2.380 -2.039 -14.034 1.00 -0.57 O \nATOM 64 HA3 GLY A 4 -1.014 0.546 -12.595 1.00 0.07 H \nATOM 65 HA2 GLY A 4 -2.392 -0.267 -11.779 1.00 0.07 H \nATOM 66 H GLY A 4 -3.838 0.544 -13.467 1.00 0.27 H \nATOM 67 N ILE A 5 -0.259 -1.729 -13.293 1.00 -0.42 N \nATOM 68 CA ILE A 5 0.247 -2.990 -13.878 1.00 -0.06 C \nATOM 69 C ILE A 5 1.089 -3.664 -12.799 1.00 0.60 C \nATOM 70 O ILE A 5 1.915 -3.024 -12.164 1.00 -0.57 O \nATOM 71 CB ILE A 5 1.104 -2.751 -15.156 1.00 0.13 C \nATOM 72 CG1 ILE A 5 0.344 -1.920 -16.224 1.00 -0.04 C \nATOM 73 CG2 ILE A 5 1.567 -4.064 -15.742 1.00 -0.32 C \nATOM 74 CD1 ILE A 5 1.252 -1.077 -17.103 1.00 -0.07 C \nATOM 75 HA ILE A 5 -0.604 -3.635 -14.142 1.00 0.09 H \nATOM 76 HB ILE A 5 1.995 -2.179 -14.858 1.00 0.02 H \nATOM 77 HG12 ILE A 5 -0.217 -2.613 -16.868 1.00 0.02 H \nATOM 78 HG13 ILE A 5 -0.358 -1.250 -15.707 1.00 0.02 H \nATOM 79 HD11 ILE A 5 1.962 -1.731 -17.630 1.00 0.02 H \nATOM 80 HD12 ILE A 5 0.645 -0.528 -17.838 1.00 0.02 H \nATOM 81 HD13 ILE A 5 1.807 -0.362 -16.478 1.00 0.02 H \nATOM 82 HG21 ILE A 5 0.692 -4.679 -16.000 1.00 0.09 H \nATOM 83 HG22 ILE A 5 2.161 -3.872 -16.648 1.00 0.09 H \nATOM 84 HG23 ILE A 5 2.185 -4.597 -15.004 1.00 0.09 H \nATOM 85 H ILE A 5 0.375 -1.132 -12.802 1.00 0.27 H \nATOM 86 N ILE A 6 0.847 -4.941 -12.555 1.00 -0.42 N \nATOM 87 CA ILE A 6 1.608 -5.696 -11.551 1.00 -0.06 C \nATOM 88 C ILE A 6 2.174 -6.965 -12.151 1.00 0.60 C \nATOM 89 O ILE A 6 1.461 -7.738 -12.810 1.00 -0.57 O \nATOM 90 CB ILE A 6 0.741 -6.110 -10.348 1.00 0.13 C \nATOM 91 CG1 ILE A 6 0.030 -4.905 -9.724 1.00 -0.04 C \nATOM 92 CG2 ILE A 6 1.614 -6.866 -9.331 1.00 -0.32 C \nATOM 93 CD1 ILE A 6 -1.156 -5.270 -8.858 1.00 -0.07 C \nATOM 94 HA ILE A 6 2.434 -5.062 -11.195 1.00 0.09 H \nATOM 95 HB ILE A 6 -0.035 -6.801 -10.708 1.00 0.02 H \nATOM 96 HG12 ILE A 6 0.756 -4.358 -9.104 1.00 0.02 H \nATOM 97 HG13 ILE A 6 -0.323 -4.253 -10.536 1.00 0.02 H \nATOM 98 HD11 ILE A 6 -0.824 -5.922 -8.037 1.00 0.02 H \nATOM 99 HD12 ILE A 6 -1.602 -4.355 -8.442 1.00 0.02 H \nATOM 100 HD13 ILE A 6 -1.905 -5.799 -9.466 1.00 0.02 H \nATOM 101 HG21 ILE A 6 2.436 -6.215 -8.998 1.00 0.09 H \nATOM 102 HG22 ILE A 6 1.001 -7.155 -8.465 1.00 0.09 H \nATOM 103 HG23 ILE A 6 2.029 -7.768 -9.804 1.00 0.09 H \nATOM 104 H ILE A 6 0.126 -5.406 -13.069 1.00 0.27 H \nATOM 105 N GLY A 7 3.475 -7.160 -11.924 1.00 -0.42 N \nATOM 106 CA GLY A 7 4.158 -8.390 -12.214 1.00 -0.03 C \nATOM 107 C GLY A 7 4.900 -8.838 -10.974 1.00 0.60 C \nATOM 108 O GLY A 7 5.262 -8.030 -10.110 1.00 -0.57 O \nATOM 109 HA3 GLY A 7 3.428 -9.159 -12.506 1.00 0.07 H \nATOM 110 HA2 GLY A 7 4.872 -8.232 -13.036 1.00 0.07 H \nATOM 111 H GLY A 7 4.004 -6.408 -11.530 1.00 0.27 H \nATOM 112 N ALA A 8 5.143 -10.129 -10.879 1.00 -0.42 N \nATOM 113 CA ALA A 8 5.790 -10.678 -9.685 1.00 0.03 C \nATOM 114 C ALA A 8 7.331 -10.526 -9.741 1.00 0.60 C \nATOM 115 O ALA A 8 7.948 -10.040 -8.803 1.00 -0.57 O \nATOM 116 CB ALA A 8 5.387 -12.144 -9.506 1.00 -0.18 C \nATOM 117 HA ALA A 8 5.429 -10.114 -8.812 1.00 0.08 H \nATOM 118 HB1 ALA A 8 5.875 -12.552 -8.608 1.00 0.06 H \nATOM 119 HB2 ALA A 8 4.295 -12.213 -9.393 1.00 0.06 H \nATOM 120 HB3 ALA A 8 5.701 -12.721 -10.388 1.00 0.06 H \nATOM 121 H ALA A 8 4.884 -10.739 -11.628 1.00 0.27 H \nATOM 122 N MET A 9 7.930 -10.915 -10.858 1.00 -0.42 N \nATOM 123 CA MET A 9 9.392 -10.981 -10.976 1.00 -0.02 C \nATOM 124 C MET A 9 9.919 -9.790 -11.745 1.00 0.60 C \nATOM 125 O MET A 9 9.234 -9.242 -12.606 1.00 -0.57 O \nATOM 126 CB MET A 9 9.817 -12.253 -11.713 1.00 0.03 C \nATOM 127 CG MET A 9 9.303 -13.553 -11.111 1.00 0.00 C \nATOM 128 SD MET A 9 9.586 -14.981 -12.180 1.00 -0.27 S \nATOM 129 CE MET A 9 11.338 -15.229 -11.848 1.00 -0.05 C \nATOM 130 HA MET A 9 9.829 -10.983 -9.967 1.00 0.09 H \nATOM 131 HB2 MET A 9 9.447 -12.187 -12.747 1.00 0.02 H \nATOM 132 HB3 MET A 9 10.916 -12.292 -11.719 1.00 0.02 H \nATOM 133 HG2 MET A 9 9.817 -13.724 -10.153 1.00 0.04 H \nATOM 134 HG3 MET A 9 8.222 -13.455 -10.935 1.00 0.04 H \nATOM 135 HE1 MET A 9 11.485 -15.415 -10.774 1.00 0.07 H \nATOM 136 HE2 MET A 9 11.701 -16.093 -12.423 1.00 0.07 H \nATOM 137 HE3 MET A 9 11.898 -14.330 -12.144 1.00 0.07 H \nATOM 138 H MET A 9 7.368 -11.171 -11.645 1.00 0.27 H \nATOM 139 N GLU A 10 11.176 -9.440 -11.498 1.00 -0.52 N \nATOM 140 CA GLU A 10 11.793 -8.352 -12.258 1.00 0.04 C \nATOM 141 C GLU A 10 11.831 -8.713 -13.750 1.00 0.54 C \nATOM 142 O GLU A 10 11.650 -7.857 -14.614 1.00 -0.58 O \nATOM 143 CB GLU A 10 13.179 -8.060 -11.723 1.00 0.06 C \nATOM 144 CG GLU A 10 13.795 -6.800 -12.298 1.00 0.01 C \nATOM 145 CD GLU A 10 15.173 -6.553 -11.750 1.00 0.81 C \nATOM 146 OE1 GLU A 10 15.541 -7.244 -10.781 1.00 -0.82 O \nATOM 147 OE2 GLU A 10 15.900 -5.689 -12.284 1.00 -0.82 O \nATOM 148 HA GLU A 10 11.179 -7.447 -12.137 1.00 0.11 H \nATOM 149 HB2 GLU A 10 13.114 -7.949 -10.631 1.00 -0.02 H \nATOM 150 HB3 GLU A 10 13.833 -8.910 -11.967 1.00 -0.02 H \nATOM 151 HG2 GLU A 10 13.859 -6.902 -13.391 1.00 -0.04 H \nATOM 152 HG3 GLU A 10 13.153 -5.943 -12.047 1.00 -0.04 H \nATOM 153 H GLU A 10 11.700 -9.919 -10.794 1.00 0.29 H \nATOM 154 N GLU A 11 12.010 -9.998 -14.034 1.00 -0.52 N \nATOM 155 CA GLU A 11 12.072 -10.483 -15.406 1.00 0.04 C \nATOM 156 C GLU A 11 10.750 -10.224 -16.131 1.00 0.54 C \nATOM 157 O GLU A 11 10.725 -9.963 -17.328 1.00 -0.58 O \nATOM 158 CB GLU A 11 12.411 -11.973 -15.431 1.00 0.06 C \nATOM 159 CG GLU A 11 13.820 -12.338 -14.923 1.00 0.01 C \nATOM 160 CD GLU A 11 14.031 -12.431 -13.390 1.00 0.81 C \nATOM 161 OE1 GLU A 11 13.135 -12.104 -12.577 1.00 -0.82 O \nATOM 162 OE2 GLU A 11 15.170 -12.819 -12.975 1.00 -0.82 O \nATOM 163 HA GLU A 11 12.869 -9.936 -15.932 1.00 0.11 H \nATOM 164 HB2 GLU A 11 11.677 -12.499 -14.803 1.00 -0.02 H \nATOM 165 HB3 GLU A 11 12.323 -12.324 -16.470 1.00 -0.02 H \nATOM 166 HG2 GLU A 11 14.080 -13.318 -15.351 1.00 -0.04 H \nATOM 167 HG3 GLU A 11 14.515 -11.575 -15.305 1.00 -0.04 H \nATOM 168 H GLU A 11 12.105 -10.652 -13.284 1.00 0.29 H \nATOM 169 N GLU A 12 9.657 -10.269 -15.388 1.00 -0.52 N \nATOM 170 CA GLU A 12 8.333 -10.062 -15.961 1.00 0.04 C \nATOM 171 C GLU A 12 8.061 -8.581 -16.224 1.00 0.54 C \nATOM 172 O GLU A 12 7.321 -8.260 -17.159 1.00 -0.58 O \nATOM 173 CB GLU A 12 7.263 -10.711 -15.068 1.00 0.06 C \nATOM 174 CG GLU A 12 7.428 -12.221 -14.993 1.00 0.01 C \nATOM 175 CD GLU A 12 6.523 -12.906 -13.982 1.00 0.81 C \nATOM 176 OE1 GLU A 12 6.356 -12.351 -12.869 1.00 -0.82 O \nATOM 177 OE2 GLU A 12 6.003 -14.010 -14.288 1.00 -0.82 O \nATOM 178 HA GLU A 12 8.306 -10.575 -16.934 1.00 0.11 H \nATOM 179 HB2 GLU A 12 7.345 -10.293 -14.054 1.00 -0.02 H \nATOM 180 HB3 GLU A 12 6.269 -10.482 -15.480 1.00 -0.02 H \nATOM 181 HG2 GLU A 12 7.211 -12.640 -15.987 1.00 -0.04 H \nATOM 182 HG3 GLU A 12 8.472 -12.439 -14.723 1.00 -0.04 H \nATOM 183 H GLU A 12 9.741 -10.450 -14.408 1.00 0.29 H \nATOM 184 N VAL A 13 8.700 -7.682 -15.463 1.00 -0.42 N \nATOM 185 CA VAL A 13 8.390 -6.248 -15.552 1.00 -0.09 C \nATOM 186 C VAL A 13 9.468 -5.421 -16.253 1.00 0.60 C \nATOM 187 O VAL A 13 9.243 -4.253 -16.567 1.00 -0.57 O \nATOM 188 CB VAL A 13 8.094 -5.629 -14.150 1.00 0.30 C \nATOM 189 CG1 VAL A 13 7.023 -6.439 -13.436 1.00 -0.32 C \nATOM 190 CG2 VAL A 13 9.331 -5.574 -13.276 1.00 -0.32 C \nATOM 191 HA VAL A 13 7.473 -6.161 -16.153 1.00 0.10 H \nATOM 192 HB VAL A 13 7.725 -4.603 -14.298 1.00 -0.03 H \nATOM 193 HG11 VAL A 13 7.367 -7.477 -13.316 1.00 0.08 H \nATOM 194 HG12 VAL A 13 6.830 -6.000 -12.446 1.00 0.08 H \nATOM 195 HG13 VAL A 13 6.097 -6.426 -14.029 1.00 0.08 H \nATOM 196 HG21 VAL A 13 10.103 -4.966 -13.771 1.00 0.08 H \nATOM 197 HG22 VAL A 13 9.075 -5.122 -12.306 1.00 0.08 H \nATOM 198 HG23 VAL A 13 9.713 -6.593 -13.117 1.00 0.08 H \nATOM 199 H VAL A 13 9.402 -7.993 -14.822 1.00 0.27 H \nATOM 200 N THR A 14 10.625 -6.016 -16.508 1.00 -0.42 N \nATOM 201 CA THR A 14 11.765 -5.225 -16.919 1.00 -0.04 C \nATOM 202 C THR A 14 11.594 -4.521 -18.282 1.00 0.60 C \nATOM 203 O THR A 14 11.993 -3.366 -18.416 1.00 -0.57 O \nATOM 204 CB THR A 14 13.058 -6.042 -16.896 1.00 0.37 C \nATOM 205 OG1 THR A 14 14.150 -5.156 -17.081 1.00 -0.68 O \nATOM 206 CG2 THR A 14 13.086 -7.051 -17.974 1.00 -0.24 C \nATOM 207 HA THR A 14 11.874 -4.429 -16.168 1.00 0.10 H \nATOM 208 HB THR A 14 13.149 -6.549 -15.924 1.00 0.00 H \nATOM 209 HG1 THR A 14 14.963 -5.648 -17.069 1.00 0.41 H \nATOM 210 HG23 THR A 14 12.790 -8.030 -17.568 1.00 0.06 H \nATOM 211 HG21 THR A 14 12.385 -6.757 -18.770 1.00 0.06 H \nATOM 212 HG22 THR A 14 14.103 -7.118 -18.387 1.00 0.06 H \nATOM 213 H THR A 14 10.710 -7.008 -16.417 1.00 0.27 H \nATOM 214 N LEU A 15 10.984 -5.214 -19.255 1.00 -0.42 N \nATOM 215 CA LEU A 15 10.718 -4.647 -20.576 1.00 -0.05 C \nATOM 216 C LEU A 15 9.773 -3.444 -20.475 1.00 0.60 C \nATOM 217 O LEU A 15 9.996 -2.407 -21.116 1.00 -0.57 O \nATOM 218 CB LEU A 15 10.116 -5.724 -21.502 1.00 -0.11 C \nATOM 219 CG LEU A 15 11.028 -6.855 -21.984 1.00 0.35 C \nATOM 220 CD1 LEU A 15 10.305 -7.889 -22.850 1.00 -0.41 C \nATOM 221 CD2 LEU A 15 12.209 -6.255 -22.732 1.00 -0.41 C \nATOM 222 HA LEU A 15 11.671 -4.306 -21.007 1.00 0.09 H \nATOM 223 HB2 LEU A 15 9.278 -6.188 -20.961 1.00 0.05 H \nATOM 224 HB3 LEU A 15 9.734 -5.209 -22.396 1.00 0.05 H \nATOM 225 HG LEU A 15 11.412 -7.379 -21.096 1.00 -0.04 H \nATOM 226 HD21 LEU A 15 12.763 -5.581 -22.062 1.00 0.10 H \nATOM 227 HD22 LEU A 15 12.875 -7.061 -23.073 1.00 0.10 H \nATOM 228 HD23 LEU A 15 11.843 -5.689 -23.602 1.00 0.10 H \nATOM 229 HD11 LEU A 15 9.882 -7.394 -23.736 1.00 0.10 H \nATOM 230 HD12 LEU A 15 11.018 -8.664 -23.169 1.00 0.10 H \nATOM 231 HD13 LEU A 15 9.495 -8.353 -22.268 1.00 0.10 H \nATOM 232 H LEU A 15 10.700 -6.155 -19.070 1.00 0.27 H \nATOM 233 N LEU A 16 8.712 -3.574 -19.672 1.00 -0.42 N \nATOM 234 CA LEU A 16 7.754 -2.484 -19.486 1.00 -0.05 C \nATOM 235 C LEU A 16 8.405 -1.303 -18.757 1.00 0.60 C \nATOM 236 O LEU A 16 8.228 -0.138 -19.135 1.00 -0.57 O \nATOM 237 CB LEU A 16 6.554 -2.971 -18.698 1.00 -0.11 C \nATOM 238 CG LEU A 16 5.626 -3.894 -19.496 1.00 0.35 C \nATOM 239 CD1 LEU A 16 4.638 -4.571 -18.566 1.00 -0.41 C \nATOM 240 CD2 LEU A 16 4.886 -3.099 -20.570 1.00 -0.41 C \nATOM 241 HA LEU A 16 7.414 -2.143 -20.475 1.00 0.09 H \nATOM 242 HB2 LEU A 16 6.917 -3.521 -17.817 1.00 0.05 H \nATOM 243 HB3 LEU A 16 5.975 -2.095 -18.371 1.00 0.05 H \nATOM 244 HG LEU A 16 6.235 -4.667 -19.987 1.00 -0.04 H \nATOM 245 HD21 LEU A 16 5.615 -2.633 -21.249 1.00 0.10 H \nATOM 246 HD22 LEU A 16 4.232 -3.775 -21.141 1.00 0.10 H \nATOM 247 HD23 LEU A 16 4.278 -2.316 -20.093 1.00 0.10 H \nATOM 248 HD11 LEU A 16 4.041 -3.807 -18.046 1.00 0.10 H \nATOM 249 HD12 LEU A 16 3.971 -5.222 -19.150 1.00 0.10 H \nATOM 250 HD13 LEU A 16 5.185 -5.175 -17.827 1.00 0.10 H \nATOM 251 H LEU A 16 8.570 -4.437 -19.187 1.00 0.27 H \nATOM 252 N ARG A 17 9.187 -1.615 -17.735 1.00 -0.35 N \nATOM 253 CA ARG A 17 9.888 -0.597 -16.945 1.00 -0.26 C \nATOM 254 C ARG A 17 10.785 0.291 -17.828 1.00 0.73 C \nATOM 255 O ARG A 17 10.769 1.524 -17.717 1.00 -0.59 O \nATOM 256 CB ARG A 17 10.727 -1.281 -15.854 1.00 -0.00 C \nATOM 257 CG ARG A 17 11.628 -0.353 -15.055 1.00 0.04 C \nATOM 258 CD ARG A 17 12.341 -1.103 -13.962 1.00 0.05 C \nATOM 259 NE ARG A 17 13.285 -2.063 -14.503 1.00 -0.53 N \nATOM 260 CZ ARG A 17 13.873 -3.048 -13.816 1.00 0.81 C \nATOM 261 NH1 ARG A 17 13.616 -3.265 -12.527 1.00 -0.86 N \nATOM 262 NH2 ARG A 17 14.715 -3.855 -14.441 1.00 -0.86 N \nATOM 263 HA ARG A 17 9.137 0.045 -16.461 1.00 0.16 H \nATOM 264 HB2 ARG A 17 10.037 -1.773 -15.153 1.00 0.03 H \nATOM 265 HB3 ARG A 17 11.361 -2.039 -16.337 1.00 0.03 H \nATOM 266 HG2 ARG A 17 12.373 0.094 -15.730 1.00 0.03 H \nATOM 267 HG3 ARG A 17 11.016 0.443 -14.605 1.00 0.03 H \nATOM 268 HD2 ARG A 17 12.884 -0.384 -13.331 1.00 0.07 H \nATOM 269 HD3 ARG A 17 11.598 -1.638 -13.352 1.00 0.07 H \nATOM 270 HE ARG A 17 13.522 -1.978 -15.502 1.00 0.35 H \nATOM 271 HH12 ARG A 17 14.088 -4.034 -12.030 1.00 0.45 H \nATOM 272 HH11 ARG A 17 12.945 -2.664 -12.027 1.00 0.45 H \nATOM 273 HH22 ARG A 17 15.176 -4.618 -13.925 1.00 0.45 H \nATOM 274 HH21 ARG A 17 14.910 -3.720 -15.443 1.00 0.45 H \nATOM 275 H ARG A 17 9.304 -2.578 -17.493 1.00 0.27 H \nATOM 276 N ASP A 18 11.568 -0.343 -18.698 1.00 -0.52 N \nATOM 277 CA ASP A 18 12.452 0.376 -19.621 1.00 0.04 C \nATOM 278 C ASP A 18 11.673 1.314 -20.570 1.00 0.54 C \nATOM 279 O ASP A 18 12.207 2.339 -20.995 1.00 -0.58 O \nATOM 280 CB ASP A 18 13.278 -0.609 -20.456 1.00 -0.03 C \nATOM 281 CG ASP A 18 14.307 -1.380 -19.622 1.00 0.80 C \nATOM 282 OD1 ASP A 18 14.418 -1.109 -18.396 1.00 -0.80 O \nATOM 283 OD2 ASP A 18 14.987 -2.277 -20.193 1.00 -0.80 O \nATOM 284 HA ASP A 18 13.141 0.989 -19.021 1.00 0.09 H \nATOM 285 HB2 ASP A 18 12.594 -1.331 -20.925 1.00 -0.01 H \nATOM 286 HB3 ASP A 18 13.810 -0.047 -21.238 1.00 -0.01 H \nATOM 287 H ASP A 18 11.553 -1.343 -18.723 1.00 0.29 H \nATOM 288 N LYS A 19 10.427 0.961 -20.886 1.00 -0.35 N \nATOM 289 CA LYS A 19 9.593 1.749 -21.798 1.00 -0.24 C \nATOM 290 C LYS A 19 8.921 2.970 -21.179 1.00 0.73 C \nATOM 291 O LYS A 19 8.404 3.827 -21.917 1.00 -0.59 O \nATOM 292 CB LYS A 19 8.535 0.854 -22.457 1.00 -0.01 C \nATOM 293 CG LYS A 19 9.142 -0.137 -23.424 1.00 0.02 C \nATOM 294 CD LYS A 19 8.143 -1.097 -24.064 1.00 -0.05 C \nATOM 295 CE LYS A 19 8.890 -2.239 -24.780 1.00 -0.01 C \nATOM 296 NZ LYS A 19 8.390 -2.548 -26.149 1.00 -0.39 N \nATOM 297 HA LYS A 19 10.258 2.122 -22.591 1.00 0.14 H \nATOM 298 HB2 LYS A 19 8.002 0.300 -21.671 1.00 0.04 H \nATOM 299 HB3 LYS A 19 7.824 1.491 -23.003 1.00 0.04 H \nATOM 300 HG2 LYS A 19 9.638 0.428 -24.227 1.00 0.01 H \nATOM 301 HG3 LYS A 19 9.889 -0.733 -22.880 1.00 0.01 H \nATOM 302 HD2 LYS A 19 7.494 -1.520 -23.283 1.00 0.06 H \nATOM 303 HD3 LYS A 19 7.529 -0.550 -24.794 1.00 0.06 H \nATOM 304 HE2 LYS A 19 9.951 -1.959 -24.858 1.00 0.11 H \nATOM 305 HE3 LYS A 19 8.795 -3.148 -24.167 1.00 0.11 H \nATOM 306 HZ1 LYS A 19 8.471 -1.728 -26.729 1.00 0.34 H \nATOM 307 HZ2 LYS A 19 8.937 -3.296 -26.546 1.00 0.34 H \nATOM 308 HZ3 LYS A 19 7.423 -2.829 -26.098 1.00 0.34 H \nATOM 309 H LYS A 19 10.047 0.127 -20.486 1.00 0.27 H \nATOM 310 N ILE A 20 8.934 3.088 -19.852 1.00 -0.42 N \nATOM 311 CA ILE A 20 8.245 4.201 -19.203 1.00 -0.06 C \nATOM 312 C ILE A 20 9.083 5.464 -19.313 1.00 0.60 C \nATOM 313 O ILE A 20 10.250 5.468 -18.922 1.00 -0.57 O \nATOM 314 CB ILE A 20 7.927 3.906 -17.725 1.00 0.13 C \nATOM 315 CG1 ILE A 20 6.917 2.755 -17.630 1.00 -0.04 C \nATOM 316 CG2 ILE A 20 7.343 5.127 -17.049 1.00 -0.32 C \nATOM 317 CD1 ILE A 20 6.735 2.198 -16.240 1.00 -0.07 C \nATOM 318 HA ILE A 20 7.294 4.367 -19.730 1.00 0.09 H \nATOM 319 HB ILE A 20 8.856 3.618 -17.210 1.00 0.02 H \nATOM 320 HG12 ILE A 20 5.942 3.123 -17.984 1.00 0.02 H \nATOM 321 HG13 ILE A 20 7.261 1.941 -18.284 1.00 0.02 H \nATOM 322 HD11 ILE A 20 6.388 2.996 -15.568 1.00 0.02 H \nATOM 323 HD12 ILE A 20 5.990 1.389 -16.264 1.00 0.02 H \nATOM 324 HD13 ILE A 20 7.694 1.803 -15.875 1.00 0.02 H \nATOM 325 HG21 ILE A 20 6.420 5.426 -17.567 1.00 0.09 H \nATOM 326 HG22 ILE A 20 7.115 4.891 -15.999 1.00 0.09 H \nATOM 327 HG23 ILE A 20 8.070 5.951 -17.089 1.00 0.09 H \nATOM 328 H ILE A 20 9.418 2.411 -19.297 1.00 0.27 H \nATOM 329 N ASP A 21 8.485 6.524 -19.847 1.00 -0.52 N \nATOM 330 CA ASP A 21 9.131 7.821 -19.936 1.00 0.04 C \nATOM 331 C ASP A 21 8.799 8.632 -18.700 1.00 0.54 C \nATOM 332 O ASP A 21 7.739 8.452 -18.070 1.00 -0.58 O \nATOM 333 CB ASP A 21 8.647 8.603 -21.160 1.00 -0.03 C \nATOM 334 CG ASP A 21 8.796 7.825 -22.440 1.00 0.80 C \nATOM 335 OD1 ASP A 21 9.917 7.741 -22.997 1.00 -0.80 O \nATOM 336 OD2 ASP A 21 7.773 7.282 -22.889 1.00 -0.80 O \nATOM 337 HA ASP A 21 10.219 7.676 -20.004 1.00 0.09 H \nATOM 338 HB2 ASP A 21 7.585 8.853 -21.021 1.00 -0.01 H \nATOM 339 HB3 ASP A 21 9.234 9.530 -21.241 1.00 -0.01 H \nATOM 340 H ASP A 21 7.555 6.424 -20.201 1.00 0.29 H \nATOM 341 N ASN A 22 9.711 9.547 -18.386 1.00 -0.42 N \nATOM 342 CA ASN A 22 9.636 10.384 -17.193 1.00 0.01 C \nATOM 343 C ASN A 22 9.505 9.521 -15.967 1.00 0.60 C \nATOM 344 O ASN A 22 8.764 9.828 -15.060 1.00 -0.57 O \nATOM 345 CB ASN A 22 8.508 11.401 -17.303 1.00 -0.20 C \nATOM 346 CG ASN A 22 8.732 12.373 -18.451 1.00 0.71 C \nATOM 347 OD1 ASN A 22 9.761 13.040 -18.495 1.00 -0.59 O \nATOM 348 ND2 ASN A 22 7.805 12.413 -19.407 1.00 -0.92 N \nATOM 349 HA ASN A 22 10.580 10.943 -17.111 1.00 0.10 H \nATOM 350 HB2 ASN A 22 7.561 10.866 -17.469 1.00 0.08 H \nATOM 351 HB3 ASN A 22 8.448 11.969 -16.363 1.00 0.08 H \nATOM 352 HD22 ASN A 22 7.911 13.037 -20.181 1.00 0.42 H \nATOM 353 HD21 ASN A 22 7.003 11.819 -19.351 1.00 0.42 H \nATOM 354 H ASN A 22 10.490 9.668 -19.001 1.00 0.27 H \nATOM 355 N ARG A 23 10.276 8.449 -15.937 1.00 -0.35 N \nATOM 356 CA ARG A 23 10.083 7.434 -14.907 1.00 -0.26 C \nATOM 357 C ARG A 23 10.556 7.894 -13.523 1.00 0.73 C \nATOM 358 O ARG A 23 11.651 8.446 -13.375 1.00 -0.59 O \nATOM 359 CB ARG A 23 10.778 6.134 -15.308 1.00 -0.00 C \nATOM 360 CG ARG A 23 10.460 4.977 -14.376 1.00 0.04 C \nATOM 361 CD ARG A 23 11.087 3.704 -14.887 1.00 0.05 C \nATOM 362 NE ARG A 23 12.523 3.692 -14.647 1.00 -0.53 N \nATOM 363 CZ ARG A 23 13.427 3.174 -15.475 1.00 0.81 C \nATOM 364 NH1 ARG A 23 13.069 2.629 -16.637 1.00 -0.86 N \nATOM 365 NH2 ARG A 23 14.711 3.207 -15.137 1.00 -0.86 N \nATOM 366 HA ARG A 23 9.004 7.234 -14.837 1.00 0.16 H \nATOM 367 HB2 ARG A 23 10.456 5.864 -16.324 1.00 0.03 H \nATOM 368 HB3 ARG A 23 11.865 6.301 -15.300 1.00 0.03 H \nATOM 369 HG2 ARG A 23 10.856 5.199 -13.374 1.00 0.03 H \nATOM 370 HG3 ARG A 23 9.369 4.846 -14.319 1.00 0.03 H \nATOM 371 HD2 ARG A 23 10.630 2.847 -14.372 1.00 0.07 H \nATOM 372 HD3 ARG A 23 10.903 3.622 -15.968 1.00 0.07 H \nATOM 373 HE ARG A 23 12.864 4.115 -13.772 1.00 0.35 H \nATOM 374 HH12 ARG A 23 13.785 2.234 -17.263 1.00 0.45 H \nATOM 375 HH11 ARG A 23 12.076 2.603 -16.909 1.00 0.45 H \nATOM 376 HH22 ARG A 23 15.420 2.809 -15.769 1.00 0.45 H \nATOM 377 HH21 ARG A 23 14.997 3.630 -14.243 1.00 0.45 H \nATOM 378 H ARG A 23 10.995 8.333 -16.623 1.00 0.27 H \nATOM 379 N GLN A 24 9.712 7.691 -12.513 1.00 -0.42 N \nATOM 380 CA GLN A 24 10.163 7.756 -11.124 1.00 -0.00 C \nATOM 381 C GLN A 24 9.917 6.406 -10.434 1.00 0.60 C \nATOM 382 O GLN A 24 9.042 5.633 -10.850 1.00 -0.57 O \nATOM 383 CB GLN A 24 9.469 8.892 -10.387 1.00 -0.00 C \nATOM 384 CG GLN A 24 9.594 10.230 -11.090 1.00 -0.06 C \nATOM 385 CD GLN A 24 8.888 11.325 -10.332 1.00 0.70 C \nATOM 386 OE1 GLN A 24 7.851 11.823 -10.767 1.00 -0.61 O \nATOM 387 NE2 GLN A 24 9.428 11.693 -9.182 1.00 -0.94 N \nATOM 388 HA GLN A 24 11.245 7.955 -11.118 1.00 0.09 H \nATOM 389 HB2 GLN A 24 8.401 8.646 -10.293 1.00 0.02 H \nATOM 390 HB3 GLN A 24 9.914 8.981 -9.385 1.00 0.02 H \nATOM 391 HG2 GLN A 24 10.660 10.488 -11.179 1.00 0.04 H \nATOM 392 HG3 GLN A 24 9.151 10.148 -12.094 1.00 0.04 H \nATOM 393 HE22 GLN A 24 9.001 12.415 -8.638 1.00 0.43 H \nATOM 394 HE21 GLN A 24 10.263 11.249 -8.857 1.00 0.43 H \nATOM 395 H GLN A 24 8.752 7.490 -12.708 1.00 0.27 H \nATOM 396 N THR A 25 10.708 6.134 -9.398 1.00 -0.42 N \nATOM 397 CA THR A 25 10.664 4.863 -8.651 1.00 -0.04 C \nATOM 398 C THR A 25 10.505 5.153 -7.169 1.00 0.60 C \nATOM 399 O THR A 25 11.129 6.072 -6.661 1.00 -0.57 O \nATOM 400 CB THR A 25 11.966 4.055 -8.811 1.00 0.37 C \nATOM 401 OG1 THR A 25 12.187 3.777 -10.190 1.00 -0.68 O \nATOM 402 CG2 THR A 25 11.900 2.730 -8.057 1.00 -0.24 C \nATOM 403 HA THR A 25 9.814 4.265 -9.011 1.00 0.10 H \nATOM 404 HB THR A 25 12.804 4.650 -8.418 1.00 0.00 H \nATOM 405 HG1 THR A 25 12.990 3.279 -10.288 1.00 0.41 H \nATOM 406 HG23 THR A 25 12.412 2.833 -7.089 1.00 0.06 H \nATOM 407 HG21 THR A 25 10.848 2.456 -7.888 1.00 0.06 H \nATOM 408 HG22 THR A 25 12.392 1.946 -8.650 1.00 0.06 H \nATOM 409 H THR A 25 11.367 6.829 -9.111 1.00 0.27 H \nATOM 410 N ILE A 26 9.645 4.376 -6.507 1.00 -0.42 N \nATOM 411 CA ILE A 26 9.455 4.386 -5.046 1.00 -0.06 C \nATOM 412 C ILE A 26 9.671 2.936 -4.564 1.00 0.60 C \nATOM 413 O ILE A 26 9.019 2.037 -5.067 1.00 -0.57 O \nATOM 414 CB ILE A 26 8.004 4.799 -4.666 1.00 0.13 C \nATOM 415 CG1 ILE A 26 7.631 6.167 -5.275 1.00 -0.04 C \nATOM 416 CG2 ILE A 26 7.842 4.846 -3.155 1.00 -0.32 C \nATOM 417 CD1 ILE A 26 6.331 6.174 -6.057 1.00 -0.07 C \nATOM 418 HA ILE A 26 10.176 5.069 -4.574 1.00 0.09 H \nATOM 419 HB ILE A 26 7.315 4.042 -5.068 1.00 0.02 H \nATOM 420 HG12 ILE A 26 7.543 6.895 -4.455 1.00 0.02 H \nATOM 421 HG13 ILE A 26 8.441 6.474 -5.953 1.00 0.02 H \nATOM 422 HD11 ILE A 26 5.504 5.873 -5.397 1.00 0.02 H \nATOM 423 HD12 ILE A 26 6.141 7.186 -6.444 1.00 0.02 H \nATOM 424 HD13 ILE A 26 6.405 5.468 -6.898 1.00 0.02 H \nATOM 425 HG21 ILE A 26 8.551 5.573 -2.733 1.00 0.09 H \nATOM 426 HG22 ILE A 26 6.814 5.149 -2.906 1.00 0.09 H \nATOM 427 HG23 ILE A 26 8.043 3.850 -2.734 1.00 0.09 H \nATOM 428 H ILE A 26 9.089 3.740 -7.042 1.00 0.27 H \nATOM 429 N THR A 27 10.586 2.713 -3.621 1.00 -0.42 N \nATOM 430 CA THR A 27 10.753 1.388 -3.023 1.00 -0.04 C \nATOM 431 C THR A 27 10.073 1.376 -1.671 1.00 0.60 C \nATOM 432 O THR A 27 10.403 2.182 -0.826 1.00 -0.57 O \nATOM 433 CB THR A 27 12.224 1.006 -2.867 1.00 0.37 C \nATOM 434 OG1 THR A 27 12.848 1.017 -4.150 1.00 -0.68 O \nATOM 435 CG2 THR A 27 12.357 -0.410 -2.283 1.00 -0.24 C \nATOM 436 HA THR A 27 10.269 0.646 -3.675 1.00 0.10 H \nATOM 437 HB THR A 27 12.721 1.728 -2.202 1.00 0.00 H \nATOM 438 HG1 THR A 27 13.763 0.780 -4.059 1.00 0.41 H \nATOM 439 HG23 THR A 27 12.543 -0.344 -1.201 1.00 0.06 H \nATOM 440 HG21 THR A 27 11.427 -0.969 -2.462 1.00 0.06 H \nATOM 441 HG22 THR A 27 13.196 -0.930 -2.769 1.00 0.06 H \nATOM 442 H THR A 27 11.170 3.466 -3.316 1.00 0.27 H \nATOM 443 N LEU A 28 9.101 0.497 -1.464 1.00 -0.42 N \nATOM 444 CA LEU A 28 8.391 0.495 -0.190 1.00 -0.05 C \nATOM 445 C LEU A 28 7.794 -0.851 0.181 1.00 0.60 C \nATOM 446 O LEU A 28 7.239 -1.554 -0.653 1.00 -0.57 O \nATOM 447 CB LEU A 28 7.315 1.585 -0.170 1.00 -0.11 C \nATOM 448 CG LEU A 28 5.947 1.318 -0.780 1.00 0.35 C \nATOM 449 CD1 LEU A 28 4.974 2.447 -0.431 1.00 -0.41 C \nATOM 450 CD2 LEU A 28 6.078 1.141 -2.289 1.00 -0.41 C \nATOM 451 HA LEU A 28 9.129 0.743 0.587 1.00 0.09 H \nATOM 452 HB2 LEU A 28 7.146 1.845 0.885 1.00 0.05 H \nATOM 453 HB3 LEU A 28 7.734 2.454 -0.699 1.00 0.05 H \nATOM 454 HG LEU A 28 5.553 0.383 -0.356 1.00 -0.04 H \nATOM 455 HD21 LEU A 28 6.751 0.297 -2.502 1.00 0.10 H \nATOM 456 HD22 LEU A 28 5.087 0.938 -2.722 1.00 0.10 H \nATOM 457 HD23 LEU A 28 6.490 2.060 -2.731 1.00 0.10 H \nATOM 458 HD11 LEU A 28 5.366 3.400 -0.815 1.00 0.10 H \nATOM 459 HD12 LEU A 28 3.995 2.242 -0.888 1.00 0.10 H \nATOM 460 HD13 LEU A 28 4.862 2.510 0.661 1.00 0.10 H \nATOM 461 H LEU A 28 8.857 -0.160 -2.177 1.00 0.27 H \nATOM 462 N GLY A 29 7.904 -1.203 1.451 1.00 -0.42 N \nATOM 463 CA GLY A 29 7.487 -2.520 1.903 1.00 -0.03 C \nATOM 464 C GLY A 29 8.134 -3.631 1.098 1.00 0.60 C \nATOM 465 O GLY A 29 7.508 -4.666 0.877 1.00 -0.57 O \nATOM 466 HA3 GLY A 29 7.768 -2.638 2.960 1.00 0.07 H \nATOM 467 HA2 GLY A 29 6.394 -2.600 1.803 1.00 0.07 H \nATOM 468 H GLY A 29 8.280 -0.553 2.111 1.00 0.27 H \nATOM 469 N GLY A 30 9.368 -3.403 0.633 1.00 -0.42 N \nATOM 470 CA GLY A 30 10.102 -4.400 -0.143 1.00 -0.03 C \nATOM 471 C GLY A 30 9.732 -4.470 -1.619 1.00 0.60 C \nATOM 472 O GLY A 30 10.337 -5.227 -2.374 1.00 -0.57 O \nATOM 473 HA3 GLY A 30 11.174 -4.166 -0.071 1.00 0.07 H \nATOM 474 HA2 GLY A 30 9.911 -5.387 0.303 1.00 0.07 H \nATOM 475 H GLY A 30 9.802 -2.522 0.823 1.00 0.27 H \nATOM 476 N CYS A 31 8.750 -3.681 -2.043 1.00 -0.42 N \nATOM 477 CA CYS A 31 8.266 -3.657 -3.426 1.00 0.02 C \nATOM 478 C CYS A 31 8.822 -2.430 -4.137 1.00 0.60 C \nATOM 479 O CYS A 31 9.258 -1.469 -3.490 1.00 -0.57 O \nATOM 480 CB CYS A 31 6.736 -3.543 -3.467 1.00 -0.12 C \nATOM 481 SG CYS A 31 5.805 -4.863 -2.672 1.00 -0.31 S \nATOM 482 HA CYS A 31 8.588 -4.574 -3.942 1.00 0.11 H \nATOM 483 HB2 CYS A 31 6.459 -2.598 -2.977 1.00 0.11 H \nATOM 484 HB3 CYS A 31 6.432 -3.511 -4.524 1.00 0.11 H \nATOM 485 HG CYS A 31 4.818 -4.680 -2.763 1.00 0.19 H \nATOM 486 H CYS A 31 8.317 -3.069 -1.381 1.00 0.27 H \nATOM 487 N GLU A 32 8.770 -2.438 -5.460 1.00 -0.52 N \nATOM 488 CA GLU A 32 9.168 -1.267 -6.219 1.00 0.04 C \nATOM 489 C GLU A 32 8.010 -0.828 -7.101 1.00 0.54 C \nATOM 490 O GLU A 32 7.370 -1.655 -7.742 1.00 -0.58 O \nATOM 491 CB GLU A 32 10.400 -1.575 -7.042 1.00 0.06 C \nATOM 492 CG GLU A 32 11.672 -1.542 -6.218 1.00 0.01 C \nATOM 493 CD GLU A 32 12.842 -2.157 -6.953 1.00 0.81 C \nATOM 494 OE1 GLU A 32 13.846 -2.484 -6.293 1.00 -0.82 O \nATOM 495 OE2 GLU A 32 12.755 -2.324 -8.191 1.00 -0.82 O \nATOM 496 HA GLU A 32 9.409 -0.452 -5.520 1.00 0.11 H \nATOM 497 HB2 GLU A 32 10.290 -2.578 -7.480 1.00 -0.02 H \nATOM 498 HB3 GLU A 32 10.482 -0.830 -7.847 1.00 -0.02 H \nATOM 499 HG2 GLU A 32 11.913 -0.496 -5.980 1.00 -0.04 H \nATOM 500 HG3 GLU A 32 11.505 -2.101 -5.286 1.00 -0.04 H \nATOM 501 H GLU A 32 8.454 -3.257 -5.940 1.00 0.29 H \nATOM 502 N ILE A 33 7.732 0.471 -7.087 1.00 -0.42 N \nATOM 503 CA ILE A 33 6.725 1.041 -7.952 1.00 -0.06 C \nATOM 504 C ILE A 33 7.400 2.041 -8.887 1.00 0.60 C \nATOM 505 O ILE A 33 8.172 2.902 -8.448 1.00 -0.57 O \nATOM 506 CB ILE A 33 5.581 1.739 -7.173 1.00 0.13 C \nATOM 507 CG1 ILE A 33 4.834 0.717 -6.292 1.00 -0.04 C \nATOM 508 CG2 ILE A 33 4.603 2.398 -8.137 1.00 -0.32 C \nATOM 509 CD1 ILE A 33 3.884 1.306 -5.271 1.00 -0.07 C \nATOM 510 HA ILE A 33 6.285 0.231 -8.552 1.00 0.09 H \nATOM 511 HB ILE A 33 6.017 2.514 -6.526 1.00 0.02 H \nATOM 512 HG12 ILE A 33 4.253 0.059 -6.955 1.00 0.02 H \nATOM 513 HG13 ILE A 33 5.585 0.122 -5.752 1.00 0.02 H \nATOM 514 HD11 ILE A 33 3.116 1.903 -5.786 1.00 0.02 H \nATOM 515 HD12 ILE A 33 3.401 0.494 -4.708 1.00 0.02 H \nATOM 516 HD13 ILE A 33 4.445 1.950 -4.577 1.00 0.02 H \nATOM 517 HG21 ILE A 33 4.177 1.635 -8.806 1.00 0.09 H \nATOM 518 HG22 ILE A 33 3.794 2.879 -7.567 1.00 0.09 H \nATOM 519 HG23 ILE A 33 5.131 3.156 -8.734 1.00 0.09 H \nATOM 520 H ILE A 33 8.233 1.070 -6.462 1.00 0.27 H \nATOM 521 N TYR A 34 7.075 1.908 -10.169 1.00 -0.42 N \nATOM 522 CA TYR A 34 7.546 2.804 -11.203 1.00 -0.00 C \nATOM 523 C TYR A 34 6.353 3.587 -11.751 1.00 0.60 C \nATOM 524 O TYR A 34 5.315 3.011 -12.058 1.00 -0.57 O \nATOM 525 CB TYR A 34 8.196 1.990 -12.322 1.00 -0.02 C \nATOM 526 CG TYR A 34 9.286 1.074 -11.817 1.00 -0.00 C \nATOM 527 CD1 TYR A 34 9.053 -0.281 -11.601 1.00 -0.19 C \nATOM 528 CD2 TYR A 34 10.539 1.583 -11.509 1.00 -0.19 C \nATOM 529 CE1 TYR A 34 10.054 -1.111 -11.109 1.00 -0.23 C \nATOM 530 CE2 TYR A 34 11.548 0.765 -11.026 1.00 -0.23 C \nATOM 531 CZ TYR A 34 11.300 -0.570 -10.825 1.00 0.32 C \nATOM 532 OH TYR A 34 12.330 -1.345 -10.359 1.00 -0.56 O \nATOM 533 HA TYR A 34 8.284 3.502 -10.782 1.00 0.09 H \nATOM 534 HB3 TYR A 34 7.421 1.380 -12.810 1.00 0.03 H \nATOM 535 HB2 TYR A 34 8.631 2.685 -13.055 1.00 0.03 H \nATOM 536 HD2 TYR A 34 10.733 2.640 -11.649 1.00 0.17 H \nATOM 537 HE2 TYR A 34 12.527 1.177 -10.808 1.00 0.17 H \nATOM 538 HE1 TYR A 34 9.864 -2.166 -10.949 1.00 0.17 H \nATOM 539 HD1 TYR A 34 8.076 -0.696 -11.820 1.00 0.17 H \nATOM 540 HH TYR A 34 12.033 -2.242 -10.264 1.00 0.40 H \nATOM 541 H TYR A 34 6.476 1.152 -10.432 1.00 0.27 H \nATOM 542 N THR A 35 6.510 4.899 -11.843 1.00 -0.42 N \nATOM 543 CA THR A 35 5.486 5.801 -12.371 1.00 -0.04 C \nATOM 544 C THR A 35 6.021 6.543 -13.599 1.00 0.60 C \nATOM 545 O THR A 35 7.237 6.722 -13.745 1.00 -0.57 O \nATOM 546 CB THR A 35 5.032 6.820 -11.285 1.00 0.37 C \nATOM 547 OG1 THR A 35 6.129 7.659 -10.921 1.00 -0.68 O \nATOM 548 CG2 THR A 35 4.529 6.068 -10.014 1.00 -0.24 C \nATOM 549 HA THR A 35 4.615 5.202 -12.674 1.00 0.10 H \nATOM 550 HB THR A 35 4.217 7.438 -11.689 1.00 0.00 H \nATOM 551 HG1 THR A 35 5.847 8.279 -10.258 1.00 0.41 H \nATOM 552 HG23 THR A 35 3.431 6.012 -10.032 1.00 0.06 H \nATOM 553 HG21 THR A 35 4.947 5.051 -10.000 1.00 0.06 H \nATOM 554 HG22 THR A 35 4.854 6.611 -9.114 1.00 0.06 H \nATOM 555 H THR A 35 7.375 5.294 -11.535 1.00 0.27 H \nATOM 556 N GLY A 36 5.113 6.958 -14.477 1.00 -0.42 N \nATOM 557 CA GLY A 36 5.468 7.709 -15.673 1.00 -0.03 C \nATOM 558 C GLY A 36 4.468 7.446 -16.767 1.00 0.60 C \nATOM 559 O GLY A 36 3.334 7.061 -16.491 1.00 -0.57 O \nATOM 560 HA3 GLY A 36 5.476 8.784 -15.438 1.00 0.07 H \nATOM 561 HA2 GLY A 36 6.468 7.400 -16.013 1.00 0.07 H \nATOM 562 H GLY A 36 4.150 6.746 -14.310 1.00 0.27 H \nATOM 563 N GLN A 37 4.889 7.631 -18.015 1.00 -0.42 N \nATOM 564 CA GLN A 37 4.012 7.398 -19.137 1.00 -0.00 C \nATOM 565 C GLN A 37 4.531 6.255 -19.985 1.00 0.60 C \nATOM 566 O GLN A 37 5.720 6.168 -20.260 1.00 -0.57 O \nATOM 567 CB GLN A 37 3.829 8.671 -19.971 1.00 -0.00 C \nATOM 568 CG GLN A 37 3.339 9.869 -19.166 1.00 -0.06 C \nATOM 569 CD GLN A 37 4.463 10.677 -18.517 1.00 0.70 C \nATOM 570 OE1 GLN A 37 5.527 10.843 -19.094 1.00 -0.61 O \nATOM 571 NE2 GLN A 37 4.213 11.203 -17.317 1.00 -0.94 N \nATOM 572 HA GLN A 37 3.026 7.109 -18.744 1.00 0.09 H \nATOM 573 HB2 GLN A 37 4.797 8.931 -20.425 1.00 0.02 H \nATOM 574 HB3 GLN A 37 3.096 8.463 -20.765 1.00 0.02 H \nATOM 575 HG2 GLN A 37 2.778 10.534 -19.840 1.00 0.04 H \nATOM 576 HG3 GLN A 37 2.671 9.504 -18.372 1.00 0.04 H \nATOM 577 HE22 GLN A 37 4.916 11.740 -16.850 1.00 0.43 H \nATOM 578 HE21 GLN A 37 3.323 11.060 -16.884 1.00 0.43 H \nATOM 579 H GLN A 37 5.827 7.936 -18.178 1.00 0.27 H \nATOM 580 N LEU A 38 3.635 5.349 -20.333 1.00 -0.42 N \nATOM 581 CA LEU A 38 3.937 4.240 -21.221 1.00 -0.05 C \nATOM 582 C LEU A 38 3.177 4.538 -22.511 1.00 0.60 C \nATOM 583 O LEU A 38 1.958 4.564 -22.509 1.00 -0.57 O \nATOM 584 CB LEU A 38 3.497 2.908 -20.605 1.00 -0.11 C \nATOM 585 CG LEU A 38 3.531 1.650 -21.484 1.00 0.35 C \nATOM 586 CD1 LEU A 38 4.910 1.387 -22.041 1.00 -0.41 C \nATOM 587 CD2 LEU A 38 3.054 0.441 -20.681 1.00 -0.41 C \nATOM 588 HA LEU A 38 5.018 4.200 -21.422 1.00 0.09 H \nATOM 589 HB2 LEU A 38 4.150 2.718 -19.740 1.00 0.05 H \nATOM 590 HB3 LEU A 38 2.460 3.036 -20.260 1.00 0.05 H \nATOM 591 HG LEU A 38 2.843 1.803 -22.329 1.00 -0.04 H \nATOM 592 HD21 LEU A 38 2.028 0.618 -20.326 1.00 0.10 H \nATOM 593 HD22 LEU A 38 3.071 -0.454 -21.320 1.00 0.10 H \nATOM 594 HD23 LEU A 38 3.719 0.288 -19.818 1.00 0.10 H \nATOM 595 HD11 LEU A 38 5.622 1.257 -21.212 1.00 0.10 H \nATOM 596 HD12 LEU A 38 4.890 0.474 -22.654 1.00 0.10 H \nATOM 597 HD13 LEU A 38 5.223 2.239 -22.662 1.00 0.10 H \nATOM 598 H LEU A 38 2.707 5.430 -19.969 1.00 0.27 H \nATOM 599 N ASN A 39 3.936 4.826 -23.576 1.00 -0.42 N \nATOM 600 CA ASN A 39 3.411 5.278 -24.878 1.00 0.01 C \nATOM 601 C ASN A 39 2.331 6.322 -24.755 1.00 0.60 C \nATOM 602 O ASN A 39 1.303 6.243 -25.416 1.00 -0.57 O \nATOM 603 CB ASN A 39 2.944 4.080 -25.717 1.00 -0.20 C \nATOM 604 CG ASN A 39 4.077 3.096 -25.974 1.00 0.71 C \nATOM 605 OD1 ASN A 39 5.164 3.494 -26.409 1.00 -0.59 O \nATOM 606 ND2 ASN A 39 3.861 1.828 -25.648 1.00 -0.92 N \nATOM 607 HA ASN A 39 4.247 5.748 -25.416 1.00 0.10 H \nATOM 608 HB2 ASN A 39 2.137 3.561 -25.179 1.00 0.08 H \nATOM 609 HB3 ASN A 39 2.565 4.447 -26.682 1.00 0.08 H \nATOM 610 HD22 ASN A 39 4.575 1.144 -25.798 1.00 0.42 H \nATOM 611 HD21 ASN A 39 2.984 1.556 -25.252 1.00 0.42 H \nATOM 612 H ASN A 39 4.927 4.728 -23.482 1.00 0.27 H \nATOM 613 N GLY A 40 2.601 7.307 -23.911 1.00 -0.42 N \nATOM 614 CA GLY A 40 1.700 8.419 -23.667 1.00 -0.03 C \nATOM 615 C GLY A 40 0.526 8.152 -22.742 1.00 0.60 C \nATOM 616 O GLY A 40 -0.458 8.884 -22.792 1.00 -0.57 O \nATOM 617 HA3 GLY A 40 2.291 9.237 -23.229 1.00 0.07 H \nATOM 618 HA2 GLY A 40 1.294 8.739 -24.638 1.00 0.07 H \nATOM 619 H GLY A 40 3.470 7.283 -23.417 1.00 0.27 H \nATOM 620 N THR A 41 0.611 7.120 -21.896 1.00 -0.42 N \nATOM 621 CA THR A 41 -0.449 6.823 -20.927 1.00 -0.04 C \nATOM 622 C THR A 41 0.151 6.754 -19.527 1.00 0.60 C \nATOM 623 O THR A 41 1.155 6.062 -19.299 1.00 -0.57 O \nATOM 624 CB THR A 41 -1.119 5.460 -21.221 1.00 0.37 C \nATOM 625 OG1 THR A 41 -1.508 5.385 -22.606 1.00 -0.68 O \nATOM 626 CG2 THR A 41 -2.332 5.230 -20.316 1.00 -0.24 C \nATOM 627 HA THR A 41 -1.207 7.619 -20.969 1.00 0.10 H \nATOM 628 HB THR A 41 -0.385 4.665 -21.022 1.00 0.00 H \nATOM 629 HG1 THR A 41 -1.918 4.545 -22.775 1.00 0.41 H \nATOM 630 HG23 THR A 41 -2.042 4.591 -19.469 1.00 0.06 H \nATOM 631 HG21 THR A 41 -2.696 6.197 -19.938 1.00 0.06 H \nATOM 632 HG22 THR A 41 -3.130 4.737 -20.891 1.00 0.06 H \nATOM 633 H THR A 41 1.421 6.534 -21.925 1.00 0.27 H \nATOM 634 N GLU A 42 -0.474 7.444 -18.582 1.00 -0.52 N \nATOM 635 CA GLU A 42 0.025 7.441 -17.222 1.00 0.04 C \nATOM 636 C GLU A 42 -0.157 6.014 -16.648 1.00 0.54 C \nATOM 637 O GLU A 42 -1.244 5.439 -16.717 1.00 -0.58 O \nATOM 638 CB GLU A 42 -0.691 8.520 -16.395 1.00 0.06 C \nATOM 639 CG GLU A 42 -0.110 8.791 -15.009 1.00 0.01 C \nATOM 640 CD GLU A 42 1.358 9.235 -14.991 1.00 0.81 C \nATOM 641 OE1 GLU A 42 1.826 9.878 -15.955 1.00 -0.82 O \nATOM 642 OE2 GLU A 42 2.063 8.952 -13.983 1.00 -0.82 O \nATOM 643 HA GLU A 42 1.099 7.677 -17.233 1.00 0.11 H \nATOM 644 HB2 GLU A 42 -0.656 9.460 -16.965 1.00 -0.02 H \nATOM 645 HB3 GLU A 42 -1.738 8.207 -16.267 1.00 -0.02 H \nATOM 646 HG2 GLU A 42 -0.711 9.583 -14.537 1.00 -0.04 H \nATOM 647 HG3 GLU A 42 -0.193 7.867 -14.419 1.00 -0.04 H \nATOM 648 H GLU A 42 -1.294 7.969 -18.810 1.00 0.29 H \nATOM 649 N VAL A 43 0.934 5.434 -16.163 1.00 -0.42 N \nATOM 650 CA VAL A 43 0.915 4.103 -15.544 1.00 -0.09 C \nATOM 651 C VAL A 43 1.575 4.102 -14.184 1.00 0.60 C \nATOM 652 O VAL A 43 2.299 4.997 -13.846 1.00 -0.57 O \nATOM 653 CB VAL A 43 1.599 2.998 -16.413 1.00 0.30 C \nATOM 654 CG1 VAL A 43 0.855 2.826 -17.732 1.00 -0.32 C \nATOM 655 CG2 VAL A 43 3.092 3.261 -16.651 1.00 -0.32 C \nATOM 656 HA VAL A 43 -0.141 3.823 -15.413 1.00 0.10 H \nATOM 657 HB VAL A 43 1.521 2.051 -15.859 1.00 -0.03 H \nATOM 658 HG11 VAL A 43 0.857 3.779 -18.281 1.00 0.08 H \nATOM 659 HG12 VAL A 43 1.353 2.054 -18.336 1.00 0.08 H \nATOM 660 HG13 VAL A 43 -0.183 2.521 -17.531 1.00 0.08 H \nATOM 661 HG21 VAL A 43 3.615 3.308 -15.684 1.00 0.08 H \nATOM 662 HG22 VAL A 43 3.516 2.447 -17.257 1.00 0.08 H \nATOM 663 HG23 VAL A 43 3.216 4.216 -17.182 1.00 0.08 H \nATOM 664 H VAL A 43 1.804 5.923 -16.222 1.00 0.27 H \nATOM 665 N ALA A 44 1.281 3.059 -13.416 1.00 -0.42 N \nATOM 666 CA ALA A 44 1.994 2.732 -12.197 1.00 0.03 C \nATOM 667 C ALA A 44 2.320 1.232 -12.284 1.00 0.60 C \nATOM 668 O ALA A 44 1.434 0.409 -12.232 1.00 -0.57 O \nATOM 669 CB ALA A 44 1.138 3.039 -10.970 1.00 -0.18 C \nATOM 670 HA ALA A 44 2.925 3.315 -12.138 1.00 0.08 H \nATOM 671 HB1 ALA A 44 1.698 2.783 -10.059 1.00 0.06 H \nATOM 672 HB2 ALA A 44 0.886 4.110 -10.957 1.00 0.06 H \nATOM 673 HB3 ALA A 44 0.213 2.445 -11.010 1.00 0.06 H \nATOM 674 H ALA A 44 0.525 2.466 -13.694 1.00 0.27 H \nATOM 675 N LEU A 45 3.591 0.907 -12.387 1.00 -0.42 N \nATOM 676 CA LEU A 45 4.047 -0.454 -12.584 1.00 -0.05 C \nATOM 677 C LEU A 45 4.604 -0.935 -11.253 1.00 0.60 C \nATOM 678 O LEU A 45 5.527 -0.302 -10.702 1.00 -0.57 O \nATOM 679 CB LEU A 45 5.108 -0.475 -13.657 1.00 -0.11 C \nATOM 680 CG LEU A 45 5.823 -1.783 -13.913 1.00 0.35 C \nATOM 681 CD1 LEU A 45 4.833 -2.848 -14.339 1.00 -0.41 C \nATOM 682 CD2 LEU A 45 6.885 -1.566 -14.970 1.00 -0.41 C \nATOM 683 HA LEU A 45 3.207 -1.095 -12.890 1.00 0.09 H \nATOM 684 HB2 LEU A 45 4.628 -0.173 -14.600 1.00 0.05 H \nATOM 685 HB3 LEU A 45 5.871 0.267 -13.379 1.00 0.05 H \nATOM 686 HG LEU A 45 6.311 -2.112 -12.984 1.00 -0.04 H \nATOM 687 HD21 LEU A 45 7.599 -0.805 -14.622 1.00 0.10 H \nATOM 688 HD22 LEU A 45 7.417 -2.511 -15.155 1.00 0.10 H \nATOM 689 HD23 LEU A 45 6.411 -1.224 -15.902 1.00 0.10 H \nATOM 690 HD11 LEU A 45 4.318 -2.525 -15.256 1.00 0.10 H \nATOM 691 HD12 LEU A 45 5.368 -3.790 -14.531 1.00 0.10 H \nATOM 692 HD13 LEU A 45 4.094 -3.003 -13.539 1.00 0.10 H \nATOM 693 H LEU A 45 4.275 1.634 -12.326 1.00 0.27 H \nATOM 694 N LEU A 46 4.030 -2.014 -10.730 1.00 -0.42 N \nATOM 695 CA LEU A 46 4.491 -2.628 -9.484 1.00 -0.05 C \nATOM 696 C LEU A 46 5.238 -3.946 -9.738 1.00 0.60 C \nATOM 697 O LEU A 46 4.752 -4.824 -10.443 1.00 -0.57 O \nATOM 698 CB LEU A 46 3.317 -2.914 -8.561 1.00 -0.11 C \nATOM 699 CG LEU A 46 3.640 -3.650 -7.252 1.00 0.35 C \nATOM 700 CD1 LEU A 46 4.063 -2.631 -6.217 1.00 -0.41 C \nATOM 701 CD2 LEU A 46 2.410 -4.401 -6.786 1.00 -0.41 C \nATOM 702 HA LEU A 46 5.175 -1.925 -8.986 1.00 0.09 H \nATOM 703 HB2 LEU A 46 2.856 -1.951 -8.298 1.00 0.05 H \nATOM 704 HB3 LEU A 46 2.594 -3.527 -9.119 1.00 0.05 H \nATOM 705 HG LEU A 46 4.460 -4.363 -7.420 1.00 -0.04 H \nATOM 706 HD21 LEU A 46 2.106 -5.122 -7.559 1.00 0.10 H \nATOM 707 HD22 LEU A 46 2.640 -4.938 -5.854 1.00 0.10 H \nATOM 708 HD23 LEU A 46 1.591 -3.688 -6.606 1.00 0.10 H \nATOM 709 HD11 LEU A 46 3.248 -1.909 -6.059 1.00 0.10 H \nATOM 710 HD12 LEU A 46 4.288 -3.142 -5.270 1.00 0.10 H \nATOM 711 HD13 LEU A 46 4.960 -2.101 -6.570 1.00 0.10 H \nATOM 712 H LEU A 46 3.252 -2.423 -11.207 1.00 0.27 H \nATOM 713 N LYS A 47 6.423 -4.064 -9.158 1.00 -0.35 N \nATOM 714 CA LYS A 47 7.112 -5.360 -9.010 1.00 -0.24 C \nATOM 715 C LYS A 47 6.879 -5.871 -7.576 1.00 0.73 C \nATOM 716 O LYS A 47 7.419 -5.319 -6.639 1.00 -0.59 O \nATOM 717 CB LYS A 47 8.604 -5.224 -9.274 1.00 -0.01 C \nATOM 718 CG LYS A 47 9.336 -6.542 -9.080 1.00 0.02 C \nATOM 719 CD LYS A 47 10.838 -6.379 -9.117 1.00 -0.05 C \nATOM 720 CE LYS A 47 11.435 -5.858 -7.817 1.00 -0.01 C \nATOM 721 NZ LYS A 47 12.872 -5.558 -8.131 1.00 -0.39 N \nATOM 722 HA LYS A 47 6.688 -6.078 -9.728 1.00 0.14 H \nATOM 723 HB2 LYS A 47 8.752 -4.884 -10.309 1.00 0.04 H \nATOM 724 HB3 LYS A 47 9.022 -4.480 -8.580 1.00 0.04 H \nATOM 725 HG2 LYS A 47 9.051 -6.964 -8.105 1.00 0.01 H \nATOM 726 HG3 LYS A 47 9.036 -7.234 -9.881 1.00 0.01 H \nATOM 727 HD2 LYS A 47 11.287 -7.359 -9.336 1.00 0.06 H \nATOM 728 HD3 LYS A 47 11.090 -5.672 -9.921 1.00 0.06 H \nATOM 729 HE2 LYS A 47 10.913 -4.946 -7.492 1.00 0.11 H \nATOM 730 HE3 LYS A 47 11.365 -6.621 -7.028 1.00 0.11 H \nATOM 731 HZ1 LYS A 47 12.919 -4.873 -8.869 1.00 0.34 H \nATOM 732 HZ2 LYS A 47 13.328 -5.197 -7.308 1.00 0.34 H \nATOM 733 HZ3 LYS A 47 13.335 -6.403 -8.428 1.00 0.34 H \nATOM 734 H LYS A 47 6.869 -3.241 -8.806 1.00 0.27 H \nATOM 735 N SER A 48 6.073 -6.911 -7.429 1.00 -0.42 N \nATOM 736 CA SER A 48 5.525 -7.322 -6.128 1.00 -0.02 C \nATOM 737 C SER A 48 6.386 -8.355 -5.411 1.00 0.60 C \nATOM 738 O SER A 48 6.446 -8.398 -4.181 1.00 -0.57 O \nATOM 739 CB SER A 48 4.118 -7.897 -6.330 1.00 0.21 C \nATOM 740 OG SER A 48 4.143 -9.143 -7.047 1.00 -0.65 O \nATOM 741 HA SER A 48 5.457 -6.430 -5.489 1.00 0.08 H \nATOM 742 HB2 SER A 48 3.658 -8.063 -5.345 1.00 0.04 H \nATOM 743 HB3 SER A 48 3.516 -7.172 -6.898 1.00 0.04 H \nATOM 744 HG SER A 48 3.256 -9.466 -7.152 1.00 0.43 H \nATOM 745 H SER A 48 5.826 -7.441 -8.240 1.00 0.27 H \nATOM 746 N GLY A 49 7.077 -9.189 -6.163 1.00 -0.42 N \nATOM 747 CA GLY A 49 7.632 -10.395 -5.576 1.00 -0.03 C \nATOM 748 C GLY A 49 6.642 -11.531 -5.738 1.00 0.60 C \nATOM 749 O GLY A 49 5.458 -11.327 -6.067 1.00 -0.57 O \nATOM 750 HA3 GLY A 49 8.573 -10.652 -6.084 1.00 0.07 H \nATOM 751 HA2 GLY A 49 7.827 -10.227 -4.507 1.00 0.07 H \nATOM 752 H GLY A 49 7.218 -8.992 -7.133 1.00 0.27 H \nATOM 753 N ILE A 50 7.117 -12.724 -5.435 1.00 -0.42 N \nATOM 754 CA ILE A 50 6.465 -13.955 -5.826 1.00 -0.06 C \nATOM 755 C ILE A 50 5.528 -14.435 -4.729 1.00 0.60 C \nATOM 756 O ILE A 50 5.866 -14.446 -3.520 1.00 -0.57 O \nATOM 757 CB ILE A 50 7.533 -15.055 -6.178 1.00 0.13 C \nATOM 758 CG1 ILE A 50 8.271 -14.687 -7.469 1.00 -0.04 C \nATOM 759 CG2 ILE A 50 6.918 -16.456 -6.294 1.00 -0.32 C \nATOM 760 CD1 ILE A 50 9.453 -15.568 -7.789 1.00 -0.07 C \nATOM 761 HA ILE A 50 5.866 -13.757 -6.727 1.00 0.09 H \nATOM 762 HB ILE A 50 8.268 -15.080 -5.360 1.00 0.02 H \nATOM 763 HG12 ILE A 50 7.557 -14.754 -8.303 1.00 0.02 H \nATOM 764 HG13 ILE A 50 8.630 -13.651 -7.376 1.00 0.02 H \nATOM 765 HD11 ILE A 50 9.117 -16.610 -7.890 1.00 0.02 H \nATOM 766 HD12 ILE A 50 9.912 -15.238 -8.733 1.00 0.02 H \nATOM 767 HD13 ILE A 50 10.192 -15.498 -6.978 1.00 0.02 H \nATOM 768 HG21 ILE A 50 6.149 -16.455 -7.081 1.00 0.09 H \nATOM 769 HG22 ILE A 50 7.704 -17.181 -6.550 1.00 0.09 H \nATOM 770 HG23 ILE A 50 6.460 -16.736 -5.334 1.00 0.09 H \nATOM 771 H ILE A 50 7.967 -12.780 -4.911 1.00 0.27 H \nATOM 772 N GLY A 51 4.347 -14.854 -5.136 1.00 -0.42 N \nATOM 773 CA GLY A 51 3.420 -15.482 -4.208 1.00 -0.03 C \nATOM 774 C GLY A 51 2.236 -14.625 -3.781 1.00 0.60 C \nATOM 775 O GLY A 51 2.166 -13.451 -4.063 1.00 -0.57 O \nATOM 776 HA3 GLY A 51 3.025 -16.390 -4.686 1.00 0.07 H \nATOM 777 HA2 GLY A 51 3.982 -15.758 -3.303 1.00 0.07 H \nATOM 778 H GLY A 51 4.085 -14.739 -6.094 1.00 0.27 H \nATOM 779 N LYS A 52 1.298 -15.274 -3.108 1.00 -0.35 N \nATOM 780 CA LYS A 52 0.024 -14.678 -2.780 1.00 -0.24 C \nATOM 781 C LYS A 52 0.165 -13.457 -1.868 1.00 0.73 C \nATOM 782 O LYS A 52 -0.435 -12.434 -2.106 1.00 -0.59 O \nATOM 783 CB LYS A 52 -0.866 -15.737 -2.116 1.00 -0.01 C \nATOM 784 CG LYS A 52 -1.453 -16.700 -3.128 1.00 0.02 C \nATOM 785 CD LYS A 52 -1.828 -18.048 -2.541 1.00 -0.05 C \nATOM 786 CE LYS A 52 -2.928 -17.938 -1.533 1.00 -0.01 C \nATOM 787 NZ LYS A 52 -3.485 -19.286 -1.249 1.00 -0.39 N \nATOM 788 HA LYS A 52 -0.454 -14.351 -3.715 1.00 0.14 H \nATOM 789 HB2 LYS A 52 -0.263 -16.306 -1.393 1.00 0.04 H \nATOM 790 HB3 LYS A 52 -1.688 -15.230 -1.589 1.00 0.04 H \nATOM 791 HG2 LYS A 52 -2.358 -16.244 -3.557 1.00 0.01 H \nATOM 792 HG3 LYS A 52 -0.711 -16.862 -3.924 1.00 0.01 H \nATOM 793 HD2 LYS A 52 -2.158 -18.710 -3.355 1.00 0.06 H \nATOM 794 HD3 LYS A 52 -0.942 -18.481 -2.053 1.00 0.06 H \nATOM 795 HE2 LYS A 52 -2.530 -17.504 -0.604 1.00 0.11 H \nATOM 796 HE3 LYS A 52 -3.724 -17.290 -1.929 1.00 0.11 H \nATOM 797 HZ1 LYS A 52 -2.755 -19.883 -0.894 1.00 0.34 H \nATOM 798 HZ2 LYS A 52 -4.219 -19.208 -0.563 1.00 0.34 H \nATOM 799 HZ3 LYS A 52 -3.859 -19.681 -2.098 1.00 0.34 H \nATOM 800 H LYS A 52 1.479 -16.213 -2.816 1.00 0.27 H \nATOM 801 N VAL A 53 0.980 -13.573 -0.835 1.00 -0.42 N \nATOM 802 CA VAL A 53 1.093 -12.494 0.179 1.00 -0.09 C \nATOM 803 C VAL A 53 1.871 -11.324 -0.400 1.00 0.60 C \nATOM 804 O VAL A 53 1.447 -10.185 -0.252 1.00 -0.57 O \nATOM 805 CB VAL A 53 1.762 -12.997 1.482 1.00 0.30 C \nATOM 806 CG1 VAL A 53 2.170 -11.849 2.398 1.00 -0.32 C \nATOM 807 CG2 VAL A 53 0.773 -13.857 2.245 1.00 -0.32 C \nATOM 808 HA VAL A 53 0.079 -12.149 0.428 1.00 0.10 H \nATOM 809 HB VAL A 53 2.652 -13.589 1.222 1.00 -0.03 H \nATOM 810 HG11 VAL A 53 1.281 -11.260 2.666 1.00 0.08 H \nATOM 811 HG12 VAL A 53 2.630 -12.254 3.311 1.00 0.08 H \nATOM 812 HG13 VAL A 53 2.894 -11.205 1.878 1.00 0.08 H \nATOM 813 HG21 VAL A 53 0.471 -14.710 1.620 1.00 0.08 H \nATOM 814 HG22 VAL A 53 1.244 -14.227 3.168 1.00 0.08 H \nATOM 815 HG23 VAL A 53 -0.113 -13.258 2.501 1.00 0.08 H \nATOM 816 H VAL A 53 1.530 -14.402 -0.734 1.00 0.27 H \nATOM 817 N ALA A 54 3.004 -11.593 -1.018 1.00 -0.42 N \nATOM 818 CA ALA A 54 3.794 -10.548 -1.700 1.00 0.03 C \nATOM 819 C ALA A 54 2.890 -9.763 -2.684 1.00 0.60 C \nATOM 820 O ALA A 54 2.894 -8.553 -2.711 1.00 -0.57 O \nATOM 821 CB ALA A 54 4.941 -11.170 -2.459 1.00 -0.18 C \nATOM 822 HA ALA A 54 4.196 -9.854 -0.947 1.00 0.08 H \nATOM 823 HB1 ALA A 54 5.520 -10.381 -2.961 1.00 0.06 H \nATOM 824 HB2 ALA A 54 5.593 -11.713 -1.759 1.00 0.06 H \nATOM 825 HB3 ALA A 54 4.547 -11.870 -3.210 1.00 0.06 H \nATOM 826 H ALA A 54 3.339 -12.535 -1.025 1.00 0.27 H \nATOM 827 N ALA A 55 2.125 -10.481 -3.493 1.00 -0.42 N \nATOM 828 CA ALA A 55 1.183 -9.841 -4.428 1.00 0.03 C \nATOM 829 C ALA A 55 0.070 -9.080 -3.711 1.00 0.60 C \nATOM 830 O ALA A 55 -0.306 -8.008 -4.167 1.00 -0.57 O \nATOM 831 CB ALA A 55 0.597 -10.863 -5.416 1.00 -0.18 C \nATOM 832 HA ALA A 55 1.756 -9.106 -5.013 1.00 0.08 H \nATOM 833 HB1 ALA A 55 -0.100 -10.355 -6.098 1.00 0.06 H \nATOM 834 HB2 ALA A 55 1.412 -11.320 -5.997 1.00 0.06 H \nATOM 835 HB3 ALA A 55 0.061 -11.645 -4.859 1.00 0.06 H \nATOM 836 H ALA A 55 2.188 -11.479 -3.469 1.00 0.27 H \nATOM 837 N ALA A 56 -0.453 -9.599 -2.588 1.00 -0.42 N \nATOM 838 CA ALA A 56 -1.503 -8.895 -1.873 1.00 0.03 C \nATOM 839 C ALA A 56 -0.937 -7.594 -1.255 1.00 0.60 C \nATOM 840 O ALA A 56 -1.572 -6.524 -1.306 1.00 -0.57 O \nATOM 841 CB ALA A 56 -2.087 -9.785 -0.783 1.00 -0.18 C \nATOM 842 HA ALA A 56 -2.302 -8.633 -2.582 1.00 0.08 H \nATOM 843 HB1 ALA A 56 -2.880 -9.240 -0.250 1.00 0.06 H \nATOM 844 HB2 ALA A 56 -2.509 -10.693 -1.238 1.00 0.06 H \nATOM 845 HB3 ALA A 56 -1.294 -10.064 -0.074 1.00 0.06 H \nATOM 846 H ALA A 56 -0.117 -10.475 -2.242 1.00 0.27 H \nATOM 847 N LEU A 57 0.271 -7.692 -0.692 1.00 -0.42 N \nATOM 848 CA LEU A 57 0.956 -6.539 -0.111 1.00 -0.05 C \nATOM 849 C LEU A 57 1.172 -5.476 -1.189 1.00 0.60 C \nATOM 850 O LEU A 57 0.770 -4.320 -1.034 1.00 -0.57 O \nATOM 851 CB LEU A 57 2.294 -6.967 0.496 1.00 -0.11 C \nATOM 852 CG LEU A 57 3.353 -5.877 0.669 1.00 0.35 C \nATOM 853 CD1 LEU A 57 2.858 -4.809 1.618 1.00 -0.41 C \nATOM 854 CD2 LEU A 57 4.652 -6.472 1.154 1.00 -0.41 C \nATOM 855 HA LEU A 57 0.327 -6.115 0.685 1.00 0.09 H \nATOM 856 HB2 LEU A 57 2.088 -7.392 1.490 1.00 0.05 H \nATOM 857 HB3 LEU A 57 2.721 -7.745 -0.154 1.00 0.05 H \nATOM 858 HG LEU A 57 3.533 -5.411 -0.311 1.00 -0.04 H \nATOM 859 HD21 LEU A 57 5.009 -7.216 0.426 1.00 0.10 H \nATOM 860 HD22 LEU A 57 5.403 -5.675 1.262 1.00 0.10 H \nATOM 861 HD23 LEU A 57 4.491 -6.959 2.127 1.00 0.10 H \nATOM 862 HD11 LEU A 57 2.634 -5.262 2.595 1.00 0.10 H \nATOM 863 HD12 LEU A 57 3.634 -4.039 1.740 1.00 0.10 H \nATOM 864 HD13 LEU A 57 1.946 -4.350 1.209 1.00 0.10 H \nATOM 865 H LEU A 57 0.722 -8.584 -0.667 1.00 0.27 H \nATOM 866 N GLY A 58 1.817 -5.873 -2.284 1.00 -0.42 N \nATOM 867 CA GLY A 58 2.041 -4.989 -3.417 1.00 -0.03 C \nATOM 868 C GLY A 58 0.781 -4.330 -3.970 1.00 0.60 C \nATOM 869 O GLY A 58 0.793 -3.134 -4.251 1.00 -0.57 O \nATOM 870 HA3 GLY A 58 2.733 -4.194 -3.100 1.00 0.07 H \nATOM 871 HA2 GLY A 58 2.503 -5.577 -4.224 1.00 0.07 H \nATOM 872 H GLY A 58 2.159 -6.812 -2.329 1.00 0.27 H \nATOM 873 N ALA A 59 -0.293 -5.095 -4.168 1.00 -0.42 N \nATOM 874 CA ALA A 59 -1.495 -4.553 -4.775 1.00 0.03 C \nATOM 875 C ALA A 59 -2.090 -3.524 -3.848 1.00 0.60 C \nATOM 876 O ALA A 59 -2.591 -2.504 -4.297 1.00 -0.57 O \nATOM 877 CB ALA A 59 -2.529 -5.639 -5.019 1.00 -0.18 C \nATOM 878 HA ALA A 59 -1.233 -4.081 -5.733 1.00 0.08 H \nATOM 879 HB1 ALA A 59 -3.425 -5.196 -5.478 1.00 0.06 H \nATOM 880 HB2 ALA A 59 -2.109 -6.400 -5.693 1.00 0.06 H \nATOM 881 HB3 ALA A 59 -2.801 -6.108 -4.062 1.00 0.06 H \nATOM 882 H ALA A 59 -0.270 -6.057 -3.894 1.00 0.27 H \nATOM 883 N THR A 60 -2.074 -3.831 -2.558 1.00 -0.42 N \nATOM 884 CA THR A 60 -2.563 -2.878 -1.536 1.00 -0.04 C \nATOM 885 C THR A 60 -1.788 -1.556 -1.547 1.00 0.60 C \nATOM 886 O THR A 60 -2.403 -0.460 -1.447 1.00 -0.57 O \nATOM 887 CB THR A 60 -2.517 -3.493 -0.137 1.00 0.37 C \nATOM 888 OG1 THR A 60 -3.277 -4.702 -0.146 1.00 -0.68 O \nATOM 889 CG2 THR A 60 -3.141 -2.502 0.893 1.00 -0.24 C \nATOM 890 HA THR A 60 -3.613 -2.652 -1.773 1.00 0.10 H \nATOM 891 HB THR A 60 -1.475 -3.708 0.141 1.00 0.00 H \nATOM 892 HG1 THR A 60 -3.257 -5.095 0.719 1.00 0.41 H \nATOM 893 HG23 THR A 60 -2.338 -1.949 1.403 1.00 0.06 H \nATOM 894 HG21 THR A 60 -3.798 -1.793 0.368 1.00 0.06 H \nATOM 895 HG22 THR A 60 -3.727 -3.065 1.634 1.00 0.06 H \nATOM 896 H THR A 60 -1.725 -4.723 -2.270 1.00 0.27 H \nATOM 897 N LEU A 61 -0.458 -1.644 -1.687 1.00 -0.42 N \nATOM 898 CA LEU A 61 0.383 -0.459 -1.758 1.00 -0.05 C \nATOM 899 C LEU A 61 0.146 0.369 -3.022 1.00 0.60 C \nATOM 900 O LEU A 61 0.155 1.613 -2.972 1.00 -0.57 O \nATOM 901 CB LEU A 61 1.866 -0.806 -1.747 1.00 -0.11 C \nATOM 902 CG LEU A 61 2.366 -1.407 -0.453 1.00 0.35 C \nATOM 903 CD1 LEU A 61 3.790 -1.836 -0.701 1.00 -0.41 C \nATOM 904 CD2 LEU A 61 2.281 -0.414 0.701 1.00 -0.41 C \nATOM 905 HA LEU A 61 0.156 0.163 -0.880 1.00 0.09 H \nATOM 906 HB2 LEU A 61 2.055 -1.528 -2.555 1.00 0.05 H \nATOM 907 HB3 LEU A 61 2.435 0.116 -1.939 1.00 0.05 H \nATOM 908 HG LEU A 61 1.757 -2.287 -0.200 1.00 -0.04 H \nATOM 909 HD21 LEU A 61 1.236 -0.099 0.837 1.00 0.10 H \nATOM 910 HD22 LEU A 61 2.643 -0.892 1.623 1.00 0.10 H \nATOM 911 HD23 LEU A 61 2.903 0.465 0.475 1.00 0.10 H \nATOM 912 HD11 LEU A 61 4.390 -0.963 -0.996 1.00 0.10 H \nATOM 913 HD12 LEU A 61 4.207 -2.273 0.218 1.00 0.10 H \nATOM 914 HD13 LEU A 61 3.812 -2.585 -1.506 1.00 0.10 H \nATOM 915 H LEU A 61 -0.033 -2.547 -1.744 1.00 0.27 H \nATOM 916 N LEU A 62 -0.035 -0.318 -4.149 1.00 -0.42 N \nATOM 917 CA LEU A 62 -0.296 0.342 -5.404 1.00 -0.05 C \nATOM 918 C LEU A 62 -1.590 1.146 -5.317 1.00 0.60 C \nATOM 919 O LEU A 62 -1.693 2.294 -5.809 1.00 -0.57 O \nATOM 920 CB LEU A 62 -0.412 -0.714 -6.519 1.00 -0.11 C \nATOM 921 CG LEU A 62 -0.478 -0.222 -7.953 1.00 0.35 C \nATOM 922 CD1 LEU A 62 0.787 0.510 -8.371 1.00 -0.41 C \nATOM 923 CD2 LEU A 62 -0.695 -1.409 -8.883 1.00 -0.41 C \nATOM 924 HA LEU A 62 0.536 1.023 -5.634 1.00 0.09 H \nATOM 925 HB2 LEU A 62 0.464 -1.374 -6.438 1.00 0.05 H \nATOM 926 HB3 LEU A 62 -1.327 -1.294 -6.328 1.00 0.05 H \nATOM 927 HG LEU A 62 -1.329 0.469 -8.046 1.00 -0.04 H \nATOM 928 HD21 LEU A 62 -1.633 -1.918 -8.616 1.00 0.10 H \nATOM 929 HD22 LEU A 62 -0.754 -1.054 -9.923 1.00 0.10 H \nATOM 930 HD23 LEU A 62 0.145 -2.112 -8.782 1.00 0.10 H \nATOM 931 HD11 LEU A 62 1.650 -0.165 -8.273 1.00 0.10 H \nATOM 932 HD12 LEU A 62 0.693 0.836 -9.417 1.00 0.10 H \nATOM 933 HD13 LEU A 62 0.933 1.388 -7.725 1.00 0.10 H \nATOM 934 H LEU A 62 0.011 -1.317 -4.124 1.00 0.27 H \nATOM 935 N LEU A 63 -2.591 0.538 -4.695 1.00 -0.42 N \nATOM 936 CA LEU A 63 -3.885 1.157 -4.624 1.00 -0.05 C \nATOM 937 C LEU A 63 -3.845 2.397 -3.728 1.00 0.60 C \nATOM 938 O LEU A 63 -4.262 3.503 -4.126 1.00 -0.57 O \nATOM 939 CB LEU A 63 -4.927 0.137 -4.155 1.00 -0.11 C \nATOM 940 CG LEU A 63 -5.378 -0.844 -5.239 1.00 0.35 C \nATOM 941 CD1 LEU A 63 -6.269 -1.948 -4.731 1.00 -0.41 C \nATOM 942 CD2 LEU A 63 -6.113 -0.086 -6.315 1.00 -0.41 C \nATOM 943 HA LEU A 63 -4.165 1.484 -5.636 1.00 0.09 H \nATOM 944 HB2 LEU A 63 -4.494 -0.441 -3.325 1.00 0.05 H \nATOM 945 HB3 LEU A 63 -5.811 0.686 -3.798 1.00 0.05 H \nATOM 946 HG LEU A 63 -4.479 -1.305 -5.675 1.00 -0.04 H \nATOM 947 HD21 LEU A 63 -5.447 0.676 -6.747 1.00 0.10 H \nATOM 948 HD22 LEU A 63 -6.431 -0.784 -7.103 1.00 0.10 H \nATOM 949 HD23 LEU A 63 -6.997 0.404 -5.880 1.00 0.10 H \nATOM 950 HD11 LEU A 63 -7.172 -1.512 -4.279 1.00 0.10 H \nATOM 951 HD12 LEU A 63 -6.557 -2.601 -5.568 1.00 0.10 H \nATOM 952 HD13 LEU A 63 -5.729 -2.537 -3.975 1.00 0.10 H \nATOM 953 H LEU A 63 -2.444 -0.357 -4.273 1.00 0.27 H \nATOM 954 N GLU A 64 -3.311 2.227 -2.539 1.00 -0.52 N \nATOM 955 CA GLU A 64 -3.297 3.320 -1.587 1.00 0.04 C \nATOM 956 C GLU A 64 -2.382 4.494 -2.029 1.00 0.54 C \nATOM 957 O GLU A 64 -2.720 5.648 -1.770 1.00 -0.58 O \nATOM 958 CB GLU A 64 -2.959 2.805 -0.190 1.00 0.06 C \nATOM 959 CG GLU A 64 -4.039 1.862 0.353 1.00 0.01 C \nATOM 960 CD GLU A 64 -5.304 2.595 0.833 1.00 0.81 C \nATOM 961 OE1 GLU A 64 -5.177 3.371 1.800 1.00 -0.82 O \nATOM 962 OE2 GLU A 64 -6.420 2.400 0.272 1.00 -0.82 O \nATOM 963 HA GLU A 64 -4.321 3.721 -1.543 1.00 0.11 H \nATOM 964 HB2 GLU A 64 -2.003 2.262 -0.233 1.00 -0.02 H \nATOM 965 HB3 GLU A 64 -2.863 3.663 0.491 1.00 -0.02 H \nATOM 966 HG2 GLU A 64 -4.324 1.161 -0.446 1.00 -0.04 H \nATOM 967 HG3 GLU A 64 -3.618 1.301 1.200 1.00 -0.04 H \nATOM 968 H GLU A 64 -2.914 1.343 -2.291 1.00 0.29 H \nATOM 969 N HIS A 65 -1.290 4.218 -2.742 1.00 -0.42 N \nATOM 970 CA HIS A 65 -0.352 5.281 -3.128 1.00 0.02 C \nATOM 971 C HIS A 65 -0.534 5.887 -4.525 1.00 0.60 C \nATOM 972 O HIS A 65 -0.149 7.035 -4.766 1.00 -0.57 O \nATOM 973 CB HIS A 65 1.072 4.760 -2.990 1.00 -0.05 C \nATOM 974 CG HIS A 65 1.480 4.541 -1.571 1.00 -0.03 C \nATOM 975 ND1 HIS A 65 1.935 5.564 -0.764 1.00 -0.38 N \nATOM 976 CD2 HIS A 65 1.465 3.428 -0.796 1.00 0.13 C \nATOM 977 CE1 HIS A 65 2.199 5.086 0.441 1.00 0.21 C \nATOM 978 NE2 HIS A 65 1.926 3.791 0.447 1.00 -0.57 N \nATOM 979 HA HIS A 65 -0.489 6.101 -2.408 1.00 0.09 H \nATOM 980 HB2 HIS A 65 1.149 3.804 -3.528 1.00 0.04 H \nATOM 981 HB3 HIS A 65 1.758 5.491 -3.443 1.00 0.04 H \nATOM 982 HD2 HIS A 65 1.147 2.432 -1.102 1.00 0.11 H \nATOM 983 HE1 HIS A 65 2.577 5.661 1.285 1.00 0.14 H \nATOM 984 HD1 HIS A 65 2.051 6.545 -1.054 1.00 0.36 H \nATOM 985 H HIS A 65 -1.107 3.274 -3.018 1.00 0.27 H \nATOM 986 N CYS A 66 -1.063 5.105 -5.457 1.00 -0.42 N \nATOM 987 CA CYS A 66 -1.142 5.524 -6.844 1.00 0.02 C \nATOM 988 C CYS A 66 -2.577 5.612 -7.358 1.00 0.60 C \nATOM 989 O CYS A 66 -2.831 6.242 -8.376 1.00 -0.57 O \nATOM 990 CB CYS A 66 -0.331 4.572 -7.717 1.00 -0.12 C \nATOM 991 SG CYS A 66 1.434 4.461 -7.301 1.00 -0.31 S \nATOM 992 HA CYS A 66 -0.697 6.527 -6.918 1.00 0.11 H \nATOM 993 HB2 CYS A 66 -0.768 3.567 -7.622 1.00 0.11 H \nATOM 994 HB3 CYS A 66 -0.415 4.911 -8.760 1.00 0.11 H \nATOM 995 HG CYS A 66 1.887 3.813 -7.926 1.00 0.19 H \nATOM 996 H CYS A 66 -1.416 4.206 -5.198 1.00 0.27 H \nATOM 997 N LYS A 67 -3.506 4.976 -6.667 1.00 -0.35 N \nATOM 998 CA LYS A 67 -4.920 5.018 -7.044 1.00 -0.24 C \nATOM 999 C LYS A 67 -5.187 4.806 -8.531 1.00 0.73 C \nATOM 1000 O LYS A 67 -5.826 5.617 -9.158 1.00 -0.59 O \nATOM 1001 CB LYS A 67 -5.553 6.337 -6.583 1.00 -0.01 C \nATOM 1002 CG LYS A 67 -5.856 6.408 -5.092 1.00 0.02 C \nATOM 1003 CD LYS A 67 -5.001 7.448 -4.390 1.00 -0.05 C \nATOM 1004 CE LYS A 67 -5.618 7.846 -3.048 1.00 -0.01 C \nATOM 1005 NZ LYS A 67 -5.462 6.768 -2.028 1.00 -0.39 N \nATOM 1006 HA LYS A 67 -5.419 4.198 -6.507 1.00 0.14 H \nATOM 1007 HB2 LYS A 67 -4.861 7.155 -6.832 1.00 0.04 H \nATOM 1008 HB3 LYS A 67 -6.496 6.475 -7.132 1.00 0.04 H \nATOM 1009 HG2 LYS A 67 -6.916 6.669 -4.956 1.00 0.01 H \nATOM 1010 HG3 LYS A 67 -5.660 5.424 -4.642 1.00 0.01 H \nATOM 1011 HD2 LYS A 67 -3.998 7.032 -4.216 1.00 0.06 H \nATOM 1012 HD3 LYS A 67 -4.922 8.340 -5.029 1.00 0.06 H \nATOM 1013 HE2 LYS A 67 -5.121 8.757 -2.683 1.00 0.11 H \nATOM 1014 HE3 LYS A 67 -6.690 8.047 -3.194 1.00 0.11 H \nATOM 1015 HZ1 LYS A 67 -4.482 6.574 -1.891 1.00 0.34 H \nATOM 1016 HZ2 LYS A 67 -5.870 7.068 -1.157 1.00 0.34 H \nATOM 1017 HZ3 LYS A 67 -5.928 5.933 -2.348 1.00 0.34 H \nATOM 1018 H LYS A 67 -3.235 4.449 -5.861 1.00 0.27 H \nATOM 1019 N PRO A 68 -4.724 3.695 -9.101 1.00 -0.25 N \nATOM 1020 CA PRO A 68 -5.058 3.435 -10.521 1.00 -0.03 C \nATOM 1021 C PRO A 68 -6.538 3.144 -10.732 1.00 0.59 C \nATOM 1022 O PRO A 68 -7.228 2.720 -9.802 1.00 -0.57 O \nATOM 1023 CB PRO A 68 -4.210 2.204 -10.861 1.00 -0.01 C \nATOM 1024 CG PRO A 68 -4.069 1.498 -9.549 1.00 0.02 C \nATOM 1025 CD PRO A 68 -3.949 2.594 -8.514 1.00 0.02 C \nATOM 1026 HA PRO A 68 -4.770 4.293 -11.146 1.00 0.06 H \nATOM 1027 HD3 PRO A 68 -2.898 2.885 -8.368 1.00 0.04 H \nATOM 1028 HD2 PRO A 68 -4.379 2.277 -7.552 1.00 0.04 H \nATOM 1029 HG3 PRO A 68 -3.169 0.866 -9.547 1.00 0.02 H \nATOM 1030 HG2 PRO A 68 -4.954 0.876 -9.350 1.00 0.02 H \nATOM 1031 HB2 PRO A 68 -4.722 1.566 -11.597 1.00 0.03 H \nATOM 1032 HB3 PRO A 68 -3.227 2.501 -11.254 1.00 0.03 H \nATOM 1033 N ASP A 69 -7.020 3.389 -11.946 1.00 -0.52 N \nATOM 1034 CA ASP A 69 -8.427 3.196 -12.300 1.00 0.04 C \nATOM 1035 C ASP A 69 -8.699 1.728 -12.653 1.00 0.54 C \nATOM 1036 O ASP A 69 -9.813 1.244 -12.491 1.00 -0.58 O \nATOM 1037 CB ASP A 69 -8.807 4.081 -13.504 1.00 -0.03 C \nATOM 1038 CG ASP A 69 -8.578 5.566 -13.236 1.00 0.80 C \nATOM 1039 OD1 ASP A 69 -7.915 6.237 -14.065 1.00 -0.80 O \nATOM 1040 OD2 ASP A 69 -9.036 6.057 -12.195 1.00 -0.80 O \nATOM 1041 HA ASP A 69 -9.049 3.478 -11.438 1.00 0.09 H \nATOM 1042 HB2 ASP A 69 -8.197 3.781 -14.369 1.00 -0.01 H \nATOM 1043 HB3 ASP A 69 -9.871 3.925 -13.734 1.00 -0.01 H \nATOM 1044 H ASP A 69 -6.392 3.721 -12.650 1.00 0.29 H \nATOM 1045 N VAL A 70 -7.689 1.046 -13.187 1.00 -0.42 N \nATOM 1046 CA VAL A 70 -7.765 -0.399 -13.434 1.00 -0.09 C \nATOM 1047 C VAL A 70 -6.428 -1.060 -13.080 1.00 0.60 C \nATOM 1048 O VAL A 70 -5.390 -0.392 -13.042 1.00 -0.57 O \nATOM 1049 CB VAL A 70 -8.114 -0.720 -14.891 1.00 0.30 C \nATOM 1050 CG1 VAL A 70 -9.371 0.014 -15.311 1.00 -0.32 C \nATOM 1051 CG2 VAL A 70 -6.965 -0.390 -15.828 1.00 -0.32 C \nATOM 1052 HA VAL A 70 -8.551 -0.818 -12.788 1.00 0.10 H \nATOM 1053 HB VAL A 70 -8.309 -1.800 -14.962 1.00 -0.03 H \nATOM 1054 HG11 VAL A 70 -9.216 1.098 -15.203 1.00 0.08 H \nATOM 1055 HG12 VAL A 70 -9.599 -0.221 -16.361 1.00 0.08 H \nATOM 1056 HG13 VAL A 70 -10.210 -0.302 -14.674 1.00 0.08 H \nATOM 1057 HG21 VAL A 70 -6.077 -0.972 -15.539 1.00 0.08 H \nATOM 1058 HG22 VAL A 70 -7.249 -0.643 -16.860 1.00 0.08 H \nATOM 1059 HG23 VAL A 70 -6.736 0.684 -15.764 1.00 0.08 H \nATOM 1060 H VAL A 70 -6.850 1.534 -13.428 1.00 0.27 H \nATOM 1061 N ILE A 71 -6.466 -2.357 -12.804 1.00 -0.42 N \nATOM 1062 CA ILE A 71 -5.259 -3.149 -12.648 1.00 -0.06 C \nATOM 1063 C ILE A 71 -5.220 -4.342 -13.628 1.00 0.60 C \nATOM 1064 O ILE A 71 -6.174 -5.101 -13.748 1.00 -0.57 O \nATOM 1065 CB ILE A 71 -5.080 -3.607 -11.183 1.00 0.13 C \nATOM 1066 CG1 ILE A 71 -4.682 -2.386 -10.334 1.00 -0.04 C \nATOM 1067 CG2 ILE A 71 -3.990 -4.650 -11.082 1.00 -0.32 C \nATOM 1068 CD1 ILE A 71 -4.727 -2.609 -8.847 1.00 -0.07 C \nATOM 1069 HA ILE A 71 -4.407 -2.498 -12.895 1.00 0.09 H \nATOM 1070 HB ILE A 71 -6.026 -4.028 -10.811 1.00 0.02 H \nATOM 1071 HG12 ILE A 71 -3.655 -2.100 -10.606 1.00 0.02 H \nATOM 1072 HG13 ILE A 71 -5.369 -1.562 -10.577 1.00 0.02 H \nATOM 1073 HD11 ILE A 71 -4.044 -3.428 -8.578 1.00 0.02 H \nATOM 1074 HD12 ILE A 71 -4.418 -1.689 -8.329 1.00 0.02 H \nATOM 1075 HD13 ILE A 71 -5.752 -2.873 -8.547 1.00 0.02 H \nATOM 1076 HG21 ILE A 71 -3.043 -4.228 -11.451 1.00 0.09 H \nATOM 1077 HG22 ILE A 71 -3.871 -4.955 -10.032 1.00 0.09 H \nATOM 1078 HG23 ILE A 71 -4.263 -5.525 -11.690 1.00 0.09 H \nATOM 1079 H ILE A 71 -7.355 -2.804 -12.700 1.00 0.27 H \nATOM 1080 N ILE A 72 -4.086 -4.468 -14.302 1.00 -0.42 N \nATOM 1081 CA ILE A 72 -3.729 -5.571 -15.187 1.00 -0.06 C \nATOM 1082 C ILE A 72 -2.583 -6.324 -14.492 1.00 0.60 C \nATOM 1083 O ILE A 72 -1.536 -5.722 -14.130 1.00 -0.57 O \nATOM 1084 CB ILE A 72 -3.214 -5.041 -16.538 1.00 0.13 C \nATOM 1085 CG1 ILE A 72 -4.264 -4.127 -17.178 1.00 -0.04 C \nATOM 1086 CG2 ILE A 72 -2.813 -6.183 -17.472 1.00 -0.32 C \nATOM 1087 CD1 ILE A 72 -3.673 -3.314 -18.305 1.00 -0.07 C \nATOM 1088 HA ILE A 72 -4.594 -6.232 -15.346 1.00 0.09 H \nATOM 1089 HB ILE A 72 -2.314 -4.438 -16.345 1.00 0.02 H \nATOM 1090 HG12 ILE A 72 -5.083 -4.745 -17.574 1.00 0.02 H \nATOM 1091 HG13 ILE A 72 -4.658 -3.443 -16.412 1.00 0.02 H \nATOM 1092 HD11 ILE A 72 -3.272 -3.991 -19.074 1.00 0.02 H \nATOM 1093 HD12 ILE A 72 -4.454 -2.678 -18.747 1.00 0.02 H \nATOM 1094 HD13 ILE A 72 -2.863 -2.681 -17.915 1.00 0.02 H \nATOM 1095 HG21 ILE A 72 -3.683 -6.832 -17.652 1.00 0.09 H \nATOM 1096 HG22 ILE A 72 -2.461 -5.768 -18.428 1.00 0.09 H \nATOM 1097 HG23 ILE A 72 -2.007 -6.770 -17.008 1.00 0.09 H \nATOM 1098 H ILE A 72 -3.411 -3.738 -14.194 1.00 0.27 H \nATOM 1099 N ASN A 73 -2.793 -7.618 -14.271 1.00 -0.42 N \nATOM 1100 CA ASN A 73 -1.723 -8.490 -13.806 1.00 0.01 C \nATOM 1101 C ASN A 73 -1.089 -9.142 -15.025 1.00 0.60 C \nATOM 1102 O ASN A 73 -1.793 -9.787 -15.813 1.00 -0.57 O \nATOM 1103 CB ASN A 73 -2.283 -9.519 -12.854 1.00 -0.20 C \nATOM 1104 CG ASN A 73 -1.297 -10.605 -12.492 1.00 0.71 C \nATOM 1105 OD1 ASN A 73 -1.683 -11.767 -12.361 1.00 -0.59 O \nATOM 1106 ND2 ASN A 73 -0.025 -10.233 -12.263 1.00 -0.92 N \nATOM 1107 HA ASN A 73 -0.964 -7.894 -13.279 1.00 0.10 H \nATOM 1108 HB2 ASN A 73 -2.592 -9.007 -11.931 1.00 0.08 H \nATOM 1109 HB3 ASN A 73 -3.160 -9.988 -13.324 1.00 0.08 H \nATOM 1110 HD22 ASN A 73 0.661 -10.919 -12.021 1.00 0.42 H \nATOM 1111 HD21 ASN A 73 0.235 -9.270 -12.335 1.00 0.42 H \nATOM 1112 H ASN A 73 -3.704 -8.000 -14.427 1.00 0.27 H \nATOM 1113 N THR A 74 0.225 -8.941 -15.182 1.00 -0.42 N \nATOM 1114 CA THR A 74 0.992 -9.503 -16.277 1.00 -0.04 C \nATOM 1115 C THR A 74 2.051 -10.510 -15.799 1.00 0.60 C \nATOM 1116 O THR A 74 2.257 -10.703 -14.597 1.00 -0.57 O \nATOM 1117 CB THR A 74 1.670 -8.403 -17.116 1.00 0.37 C \nATOM 1118 OG1 THR A 74 2.252 -9.004 -18.271 1.00 -0.68 O \nATOM 1119 CG2 THR A 74 2.754 -7.637 -16.351 1.00 -0.24 C \nATOM 1120 HA THR A 74 0.288 -10.041 -16.929 1.00 0.10 H \nATOM 1121 HB THR A 74 0.899 -7.685 -17.432 1.00 0.00 H \nATOM 1122 HG1 THR A 74 2.674 -8.335 -18.797 1.00 0.41 H \nATOM 1123 HG23 THR A 74 2.338 -6.691 -15.974 1.00 0.06 H \nATOM 1124 HG21 THR A 74 3.106 -8.246 -15.505 1.00 0.06 H \nATOM 1125 HG22 THR A 74 3.597 -7.424 -17.025 1.00 0.06 H \nATOM 1126 H THR A 74 0.702 -8.374 -14.510 1.00 0.27 H \nATOM 1127 N GLY A 75 2.678 -11.175 -16.762 1.00 -0.42 N \nATOM 1128 CA GLY A 75 3.738 -12.124 -16.478 1.00 -0.03 C \nATOM 1129 C GLY A 75 3.550 -13.441 -17.186 1.00 0.60 C \nATOM 1130 O GLY A 75 2.848 -13.538 -18.205 1.00 -0.57 O \nATOM 1131 HA3 GLY A 75 4.696 -11.687 -16.798 1.00 0.07 H \nATOM 1132 HA2 GLY A 75 3.763 -12.309 -15.394 1.00 0.07 H \nATOM 1133 H GLY A 75 2.411 -11.017 -17.713 1.00 0.27 H \nATOM 1134 N SER A 76 4.183 -14.451 -16.595 1.00 -0.42 N \nATOM 1135 CA SER A 76 4.197 -15.785 -17.108 1.00 -0.02 C \nATOM 1136 C SER A 76 3.119 -16.626 -16.419 1.00 0.60 C \nATOM 1137 O SER A 76 2.479 -16.188 -15.463 1.00 -0.57 O \nATOM 1138 CB SER A 76 5.589 -16.388 -16.934 1.00 0.21 C \nATOM 1139 OG SER A 76 5.864 -16.643 -15.566 1.00 -0.65 O \nATOM 1140 HA SER A 76 3.969 -15.750 -18.183 1.00 0.08 H \nATOM 1141 HB2 SER A 76 5.645 -17.333 -17.495 1.00 0.04 H \nATOM 1142 HB3 SER A 76 6.338 -15.684 -17.326 1.00 0.04 H \nATOM 1143 HG SER A 76 6.733 -17.017 -15.482 1.00 0.43 H \nATOM 1144 H SER A 76 4.676 -14.267 -15.745 1.00 0.27 H \nATOM 1145 N ALA A 77 2.913 -17.823 -16.936 1.00 -0.42 N \nATOM 1146 CA ALA A 77 1.948 -18.792 -16.375 1.00 0.03 C \nATOM 1147 C ALA A 77 2.227 -20.206 -16.844 1.00 0.60 C \nATOM 1148 O ALA A 77 2.790 -20.425 -17.923 1.00 -0.57 O \nATOM 1149 CB ALA A 77 0.511 -18.396 -16.746 1.00 -0.18 C \nATOM 1150 HA ALA A 77 2.043 -18.770 -15.279 1.00 0.08 H \nATOM 1151 HB1 ALA A 77 -0.192 -19.127 -16.321 1.00 0.06 H \nATOM 1152 HB2 ALA A 77 0.290 -17.397 -16.342 1.00 0.06 H \nATOM 1153 HB3 ALA A 77 0.406 -18.380 -17.841 1.00 0.06 H \nATOM 1154 H ALA A 77 3.435 -18.087 -17.747 1.00 0.27 H \nATOM 1155 N GLY A 78 1.852 -21.162 -16.010 1.00 -0.42 N \nATOM 1156 CA GLY A 78 1.805 -22.554 -16.363 1.00 -0.03 C \nATOM 1157 C GLY A 78 0.530 -22.840 -17.131 1.00 0.60 C \nATOM 1158 O GLY A 78 -0.574 -22.605 -16.649 1.00 -0.57 O \nATOM 1159 HA3 GLY A 78 2.674 -22.802 -16.990 1.00 0.07 H \nATOM 1160 HA2 GLY A 78 1.826 -23.165 -15.448 1.00 0.07 H \nATOM 1161 H GLY A 78 1.586 -20.901 -15.082 1.00 0.27 H \nATOM 1162 N GLY A 79 0.669 -23.389 -18.321 1.00 -0.42 N \nATOM 1163 CA GLY A 79 -0.497 -23.722 -19.145 1.00 -0.03 C \nATOM 1164 C GLY A 79 -1.128 -25.024 -18.726 1.00 0.60 C \nATOM 1165 O GLY A 79 -0.438 -25.991 -18.461 1.00 -0.57 O \nATOM 1166 HA3 GLY A 79 -1.242 -22.918 -19.048 1.00 0.07 H \nATOM 1167 HA2 GLY A 79 -0.179 -23.803 -20.195 1.00 0.07 H \nATOM 1168 H GLY A 79 1.587 -23.582 -18.668 1.00 0.27 H \nATOM 1169 N LEU A 80 -2.452 -25.045 -18.657 1.00 -0.42 N \nATOM 1170 CA LEU A 80 -3.193 -26.239 -18.256 1.00 -0.05 C \nATOM 1171 C LEU A 80 -4.085 -26.734 -19.387 1.00 0.60 C \nATOM 1172 O LEU A 80 -4.285 -27.924 -19.489 1.00 -0.57 O \nATOM 1173 CB LEU A 80 -4.066 -25.979 -17.020 1.00 -0.11 C \nATOM 1174 CG LEU A 80 -3.332 -25.672 -15.699 1.00 0.35 C \nATOM 1175 CD1 LEU A 80 -4.288 -25.246 -14.620 1.00 -0.41 C \nATOM 1176 CD2 LEU A 80 -2.528 -26.859 -15.193 1.00 -0.41 C \nATOM 1177 HA LEU A 80 -2.465 -27.026 -18.011 1.00 0.09 H \nATOM 1178 HB2 LEU A 80 -4.715 -25.121 -17.247 1.00 0.05 H \nATOM 1179 HB3 LEU A 80 -4.685 -26.874 -16.856 1.00 0.05 H \nATOM 1180 HG LEU A 80 -2.635 -24.843 -15.891 1.00 -0.04 H \nATOM 1181 HD21 LEU A 80 -1.781 -27.144 -15.948 1.00 0.10 H \nATOM 1182 HD22 LEU A 80 -2.018 -26.585 -14.258 1.00 0.10 H \nATOM 1183 HD23 LEU A 80 -3.204 -27.707 -15.007 1.00 0.10 H \nATOM 1184 HD11 LEU A 80 -5.020 -26.047 -14.442 1.00 0.10 H \nATOM 1185 HD12 LEU A 80 -3.730 -25.046 -13.693 1.00 0.10 H \nATOM 1186 HD13 LEU A 80 -4.814 -24.333 -14.935 1.00 0.10 H \nATOM 1187 H LEU A 80 -2.961 -24.215 -18.887 1.00 0.27 H \nATOM 1188 N ALA A 81 -4.612 -25.819 -20.203 1.00 -0.42 N \nATOM 1189 CA ALA A 81 -5.533 -26.180 -21.293 1.00 0.03 C \nATOM 1190 C ALA A 81 -4.701 -26.780 -22.405 1.00 0.60 C \nATOM 1191 O ALA A 81 -3.615 -26.262 -22.723 1.00 -0.57 O \nATOM 1192 CB ALA A 81 -6.281 -24.961 -21.781 1.00 -0.18 C \nATOM 1193 HA ALA A 81 -6.259 -26.924 -20.933 1.00 0.08 H \nATOM 1194 HB1 ALA A 81 -6.963 -25.250 -22.594 1.00 0.06 H \nATOM 1195 HB2 ALA A 81 -6.861 -24.530 -20.952 1.00 0.06 H \nATOM 1196 HB3 ALA A 81 -5.563 -24.215 -22.153 1.00 0.06 H \nATOM 1197 H ALA A 81 -4.374 -24.857 -20.070 1.00 0.27 H \nATOM 1198 N SER A 82 -5.193 -27.859 -23.002 1.00 -0.42 N \nATOM 1199 CA SER A 82 -4.329 -28.703 -23.850 1.00 -0.02 C \nATOM 1200 C SER A 82 -3.859 -28.032 -25.133 1.00 0.60 C \nATOM 1201 O SER A 82 -2.805 -28.375 -25.667 1.00 -0.57 O \nATOM 1202 CB SER A 82 -4.996 -30.040 -24.165 1.00 0.21 C \nATOM 1203 OG SER A 82 -6.224 -29.846 -24.836 1.00 -0.65 O \nATOM 1204 HA SER A 82 -3.427 -28.919 -23.259 1.00 0.08 H \nATOM 1205 HB2 SER A 82 -4.327 -30.635 -24.804 1.00 0.04 H \nATOM 1206 HB3 SER A 82 -5.181 -30.580 -23.225 1.00 0.04 H \nATOM 1207 HG SER A 82 -6.620 -30.689 -25.021 1.00 0.43 H \nATOM 1208 H SER A 82 -6.155 -28.101 -22.876 1.00 0.27 H \nATOM 1209 N THR A 83 -4.603 -27.058 -25.613 1.00 -0.42 N \nATOM 1210 CA THR A 83 -4.207 -26.353 -26.821 1.00 -0.04 C \nATOM 1211 C THR A 83 -3.003 -25.394 -26.650 1.00 0.60 C \nATOM 1212 O THR A 83 -2.415 -24.942 -27.640 1.00 -0.57 O \nATOM 1213 CB THR A 83 -5.415 -25.585 -27.357 1.00 0.37 C \nATOM 1214 OG1 THR A 83 -5.183 -25.204 -28.712 1.00 -0.68 O \nATOM 1215 CG2 THR A 83 -5.721 -24.364 -26.494 1.00 -0.24 C \nATOM 1216 HA THR A 83 -3.917 -27.110 -27.565 1.00 0.10 H \nATOM 1217 HB THR A 83 -6.289 -26.252 -27.329 1.00 0.00 H \nATOM 1218 HG1 THR A 83 -5.936 -24.727 -29.040 1.00 0.41 H \nATOM 1219 HG23 THR A 83 -6.534 -24.605 -25.794 1.00 0.06 H \nATOM 1220 HG21 THR A 83 -4.822 -24.080 -25.928 1.00 0.06 H \nATOM 1221 HG22 THR A 83 -6.028 -23.527 -27.139 1.00 0.06 H \nATOM 1222 H THR A 83 -5.447 -26.801 -25.143 1.00 0.27 H \nATOM 1223 N LEU A 84 -2.644 -25.068 -25.406 1.00 -0.42 N \nATOM 1224 CA LEU A 84 -1.640 -24.033 -25.168 1.00 -0.05 C \nATOM 1225 C LEU A 84 -0.231 -24.493 -25.472 1.00 0.60 C \nATOM 1226 O LEU A 84 0.178 -25.578 -25.084 1.00 -0.57 O \nATOM 1227 CB LEU A 84 -1.678 -23.565 -23.688 1.00 -0.11 C \nATOM 1228 CG LEU A 84 -2.955 -22.827 -23.272 1.00 0.35 C \nATOM 1229 CD1 LEU A 84 -2.986 -22.545 -21.768 1.00 -0.41 C \nATOM 1230 CD2 LEU A 84 -3.089 -21.552 -24.085 1.00 -0.41 C \nATOM 1231 HA LEU A 84 -1.875 -23.178 -25.819 1.00 0.09 H \nATOM 1232 HB2 LEU A 84 -1.573 -24.453 -23.047 1.00 0.05 H \nATOM 1233 HB3 LEU A 84 -0.825 -22.890 -23.522 1.00 0.05 H \nATOM 1234 HG LEU A 84 -3.814 -23.473 -23.507 1.00 -0.04 H \nATOM 1235 HD21 LEU A 84 -3.132 -21.802 -25.155 1.00 0.10 H \nATOM 1236 HD22 LEU A 84 -4.011 -21.027 -23.794 1.00 0.10 H \nATOM 1237 HD23 LEU A 84 -2.222 -20.903 -23.895 1.00 0.10 H \nATOM 1238 HD11 LEU A 84 -2.117 -21.930 -21.492 1.00 0.10 H \nATOM 1239 HD12 LEU A 84 -3.911 -22.007 -21.515 1.00 0.10 H \nATOM 1240 HD13 LEU A 84 -2.952 -23.496 -21.216 1.00 0.10 H \nATOM 1241 H LEU A 84 -3.066 -25.536 -24.630 1.00 0.27 H \nATOM 1242 N LYS A 85 0.529 -23.633 -26.116 1.00 -0.35 N \nATOM 1243 CA LYS A 85 1.958 -23.838 -26.266 1.00 -0.24 C \nATOM 1244 C LYS A 85 2.697 -22.640 -25.670 1.00 0.73 C \nATOM 1245 O LYS A 85 2.097 -21.580 -25.450 1.00 -0.59 O \nATOM 1246 CB LYS A 85 2.319 -24.061 -27.744 1.00 -0.01 C \nATOM 1247 CG LYS A 85 1.447 -25.122 -28.422 1.00 0.02 C \nATOM 1248 CD LYS A 85 2.241 -26.105 -29.254 1.00 -0.05 C \nATOM 1249 CE LYS A 85 1.324 -27.167 -29.863 1.00 -0.01 C \nATOM 1250 NZ LYS A 85 2.040 -28.410 -29.984 1.00 -0.39 N \nATOM 1251 HA LYS A 85 2.246 -24.739 -25.704 1.00 0.14 H \nATOM 1252 HB2 LYS A 85 2.195 -23.110 -28.282 1.00 0.04 H \nATOM 1253 HB3 LYS A 85 3.370 -24.381 -27.803 1.00 0.04 H \nATOM 1254 HG2 LYS A 85 0.907 -25.680 -27.643 1.00 0.01 H \nATOM 1255 HG3 LYS A 85 0.724 -24.614 -29.077 1.00 0.01 H \nATOM 1256 HD2 LYS A 85 2.752 -25.563 -30.063 1.00 0.06 H \nATOM 1257 HD3 LYS A 85 2.988 -26.598 -28.614 1.00 0.06 H \nATOM 1258 HE2 LYS A 85 0.448 -27.311 -29.213 1.00 0.11 H \nATOM 1259 HE3 LYS A 85 0.992 -26.837 -30.859 1.00 0.11 H \nATOM 1260 HZ1 LYS A 85 2.352 -28.708 -29.073 1.00 0.34 H \nATOM 1261 HZ2 LYS A 85 1.432 -29.111 -30.377 1.00 0.34 H \nATOM 1262 HZ3 LYS A 85 2.837 -28.281 -30.587 1.00 0.34 H \nATOM 1263 H LYS A 85 0.111 -22.816 -26.513 1.00 0.27 H \nATOM 1264 N VAL A 86 3.985 -22.821 -25.402 1.00 -0.42 N \nATOM 1265 CA VAL A 86 4.831 -21.742 -24.865 1.00 -0.09 C \nATOM 1266 C VAL A 86 4.680 -20.497 -25.719 1.00 0.60 C \nATOM 1267 O VAL A 86 4.673 -20.601 -26.940 1.00 -0.57 O \nATOM 1268 CB VAL A 86 6.308 -22.186 -24.767 1.00 0.30 C \nATOM 1269 CG1 VAL A 86 7.243 -20.996 -24.652 1.00 -0.32 C \nATOM 1270 CG2 VAL A 86 6.481 -23.102 -23.568 1.00 -0.32 C \nATOM 1271 HA VAL A 86 4.482 -21.505 -23.849 1.00 0.10 H \nATOM 1272 HB VAL A 86 6.566 -22.743 -25.680 1.00 -0.03 H \nATOM 1273 HG11 VAL A 86 6.987 -20.414 -23.755 1.00 0.08 H \nATOM 1274 HG12 VAL A 86 8.281 -21.351 -24.574 1.00 0.08 H \nATOM 1275 HG13 VAL A 86 7.139 -20.360 -25.544 1.00 0.08 H \nATOM 1276 HG21 VAL A 86 5.831 -23.982 -23.682 1.00 0.08 H \nATOM 1277 HG22 VAL A 86 7.530 -23.427 -23.503 1.00 0.08 H \nATOM 1278 HG23 VAL A 86 6.208 -22.560 -22.650 1.00 0.08 H \nATOM 1279 H VAL A 86 4.393 -23.718 -25.570 1.00 0.27 H \nATOM 1280 N GLY A 87 4.462 -19.355 -25.066 1.00 -0.42 N \nATOM 1281 CA GLY A 87 4.291 -18.063 -25.743 1.00 -0.03 C \nATOM 1282 C GLY A 87 2.866 -17.617 -25.996 1.00 0.60 C \nATOM 1283 O GLY A 87 2.609 -16.442 -26.230 1.00 -0.57 O \nATOM 1284 HA3 GLY A 87 4.777 -17.294 -25.124 1.00 0.07 H \nATOM 1285 HA2 GLY A 87 4.799 -18.126 -26.716 1.00 0.07 H \nATOM 1286 H GLY A 87 4.413 -19.379 -24.068 1.00 0.27 H \nATOM 1287 N ASP A 88 1.920 -18.549 -25.936 1.00 -0.52 N \nATOM 1288 CA ASP A 88 0.498 -18.224 -26.107 1.00 0.04 C \nATOM 1289 C ASP A 88 -0.025 -17.410 -24.922 1.00 0.54 C \nATOM 1290 O ASP A 88 0.561 -17.428 -23.840 1.00 -0.58 O \nATOM 1291 CB ASP A 88 -0.342 -19.491 -26.249 1.00 -0.03 C \nATOM 1292 CG ASP A 88 -0.077 -20.254 -27.557 1.00 0.80 C \nATOM 1293 OD1 ASP A 88 0.693 -19.767 -28.416 1.00 -0.80 O \nATOM 1294 OD2 ASP A 88 -0.641 -21.368 -27.708 1.00 -0.80 O \nATOM 1295 HA ASP A 88 0.389 -17.624 -27.023 1.00 0.09 H \nATOM 1296 HB2 ASP A 88 -0.114 -20.157 -25.404 1.00 -0.01 H \nATOM 1297 HB3 ASP A 88 -1.405 -19.210 -26.218 1.00 -0.01 H \nATOM 1298 H ASP A 88 2.184 -19.499 -25.770 1.00 0.29 H \nATOM 1299 N ILE A 89 -1.110 -16.681 -25.159 1.00 -0.42 N \nATOM 1300 CA ILE A 89 -1.664 -15.740 -24.187 1.00 -0.06 C \nATOM 1301 C ILE A 89 -2.805 -16.422 -23.440 1.00 0.60 C \nATOM 1302 O ILE A 89 -3.555 -17.191 -24.029 1.00 -0.57 O \nATOM 1303 CB ILE A 89 -2.187 -14.449 -24.873 1.00 0.13 C \nATOM 1304 CG1 ILE A 89 -1.075 -13.738 -25.656 1.00 -0.04 C \nATOM 1305 CG2 ILE A 89 -2.748 -13.464 -23.850 1.00 -0.32 C \nATOM 1306 CD1 ILE A 89 0.129 -13.300 -24.826 1.00 -0.07 C \nATOM 1307 HA ILE A 89 -0.876 -15.464 -23.471 1.00 0.09 H \nATOM 1308 HB ILE A 89 -2.988 -14.732 -25.571 1.00 0.02 H \nATOM 1309 HG12 ILE A 89 -0.717 -14.424 -26.438 1.00 0.02 H \nATOM 1310 HG13 ILE A 89 -1.509 -12.842 -26.125 1.00 0.02 H \nATOM 1311 HD11 ILE A 89 0.585 -14.180 -24.349 1.00 0.02 H \nATOM 1312 HD12 ILE A 89 0.868 -12.813 -25.480 1.00 0.02 H \nATOM 1313 HD13 ILE A 89 -0.198 -12.591 -24.051 1.00 0.02 H \nATOM 1314 HG21 ILE A 89 -1.960 -13.193 -23.131 1.00 0.09 H \nATOM 1315 HG22 ILE A 89 -3.099 -12.559 -24.367 1.00 0.09 H \nATOM 1316 HG23 ILE A 89 -3.588 -13.930 -23.315 1.00 0.09 H \nATOM 1317 H ILE A 89 -1.568 -16.780 -26.042 1.00 0.27 H \nATOM 1318 N VAL A 90 -2.907 -16.144 -22.136 1.00 -0.42 N \nATOM 1319 CA VAL A 90 -4.093 -16.472 -21.343 1.00 -0.09 C \nATOM 1320 C VAL A 90 -4.627 -15.194 -20.724 1.00 0.60 C \nATOM 1321 O VAL A 90 -3.866 -14.358 -20.210 1.00 -0.57 O \nATOM 1322 CB VAL A 90 -3.862 -17.514 -20.216 1.00 0.30 C \nATOM 1323 CG1 VAL A 90 -3.579 -18.880 -20.811 1.00 -0.32 C \nATOM 1324 CG2 VAL A 90 -2.752 -17.089 -19.270 1.00 -0.32 C \nATOM 1325 HA VAL A 90 -4.851 -16.882 -22.027 1.00 0.10 H \nATOM 1326 HB VAL A 90 -4.790 -17.586 -19.630 1.00 -0.03 H \nATOM 1327 HG11 VAL A 90 -2.684 -18.824 -21.448 1.00 0.08 H \nATOM 1328 HG12 VAL A 90 -3.408 -19.604 -20.001 1.00 0.08 H \nATOM 1329 HG13 VAL A 90 -4.440 -19.202 -21.415 1.00 0.08 H \nATOM 1330 HG21 VAL A 90 -3.011 -16.124 -18.810 1.00 0.08 H \nATOM 1331 HG22 VAL A 90 -2.629 -17.849 -18.484 1.00 0.08 H \nATOM 1332 HG23 VAL A 90 -1.811 -16.987 -19.831 1.00 0.08 H \nATOM 1333 H VAL A 90 -2.139 -15.692 -21.682 1.00 0.27 H \nATOM 1334 N VAL A 91 -5.942 -15.053 -20.814 1.00 -0.42 N \nATOM 1335 CA VAL A 91 -6.685 -13.956 -20.244 1.00 -0.09 C \nATOM 1336 C VAL A 91 -7.697 -14.535 -19.256 1.00 0.60 C \nATOM 1337 O VAL A 91 -8.433 -15.461 -19.597 1.00 -0.57 O \nATOM 1338 CB VAL A 91 -7.471 -13.193 -21.342 1.00 0.30 C \nATOM 1339 CG1 VAL A 91 -8.295 -12.078 -20.722 1.00 -0.32 C \nATOM 1340 CG2 VAL A 91 -6.533 -12.622 -22.396 1.00 -0.32 C \nATOM 1341 HA VAL A 91 -5.998 -13.267 -19.730 1.00 0.10 H \nATOM 1342 HB VAL A 91 -8.154 -13.901 -21.833 1.00 -0.03 H \nATOM 1343 HG11 VAL A 91 -7.629 -11.379 -20.195 1.00 0.08 H \nATOM 1344 HG12 VAL A 91 -8.838 -11.540 -21.513 1.00 0.08 H \nATOM 1345 HG13 VAL A 91 -9.015 -12.507 -20.009 1.00 0.08 H \nATOM 1346 HG21 VAL A 91 -5.966 -13.440 -22.864 1.00 0.08 H \nATOM 1347 HG22 VAL A 91 -7.120 -12.097 -23.164 1.00 0.08 H \nATOM 1348 HG23 VAL A 91 -5.835 -11.916 -21.922 1.00 0.08 H \nATOM 1349 H VAL A 91 -6.453 -15.754 -21.311 1.00 0.27 H \nATOM 1350 N SER A 92 -7.758 -13.963 -18.058 1.00 -0.42 N \nATOM 1351 CA SER A 92 -8.691 -14.408 -17.030 1.00 -0.02 C \nATOM 1352 C SER A 92 -10.107 -13.961 -17.373 1.00 0.60 C \nATOM 1353 O SER A 92 -10.322 -12.800 -17.676 1.00 -0.57 O \nATOM 1354 CB SER A 92 -8.374 -13.730 -15.691 1.00 0.21 C \nATOM 1355 OG SER A 92 -8.342 -12.335 -15.860 1.00 -0.65 O \nATOM 1356 HA SER A 92 -8.641 -15.503 -16.933 1.00 0.08 H \nATOM 1357 HB2 SER A 92 -9.150 -13.991 -14.956 1.00 0.04 H \nATOM 1358 HB3 SER A 92 -7.395 -14.077 -15.329 1.00 0.04 H \nATOM 1359 HG SER A 92 -8.145 -11.920 -15.028 1.00 0.43 H \nATOM 1360 H SER A 92 -7.143 -13.201 -17.855 1.00 0.27 H \nATOM 1361 N ASP A 93 -11.060 -14.867 -17.348 1.00 -0.52 N \nATOM 1362 CA ASP A 93 -12.402 -14.433 -17.097 1.00 0.04 C \nATOM 1363 C ASP A 93 -12.731 -14.608 -15.629 1.00 0.54 C \nATOM 1364 O ASP A 93 -13.612 -13.977 -15.138 1.00 -0.58 O \nATOM 1365 CB ASP A 93 -13.438 -15.076 -18.021 1.00 -0.03 C \nATOM 1366 CG ASP A 93 -13.434 -16.579 -18.012 1.00 0.80 C \nATOM 1367 OD1 ASP A 93 -13.141 -17.226 -16.975 1.00 -0.80 O \nATOM 1368 OD2 ASP A 93 -13.795 -17.116 -19.094 1.00 -0.80 O \nATOM 1369 HA ASP A 93 -12.432 -13.353 -17.306 1.00 0.09 H \nATOM 1370 HB2 ASP A 93 -14.436 -14.733 -17.710 1.00 -0.01 H \nATOM 1371 HB3 ASP A 93 -13.238 -14.738 -19.049 1.00 -0.01 H \nATOM 1372 H ASP A 93 -10.853 -15.833 -17.500 1.00 0.29 H \nATOM 1373 N GLU A 94 -11.943 -15.410 -14.927 1.00 -0.52 N \nATOM 1374 CA GLU A 94 -12.185 -15.648 -13.537 1.00 0.04 C \nATOM 1375 C GLU A 94 -10.905 -16.093 -12.870 1.00 0.54 C \nATOM 1376 O GLU A 94 -10.063 -16.653 -13.532 1.00 -0.58 O \nATOM 1377 CB GLU A 94 -13.259 -16.716 -13.433 1.00 0.06 C \nATOM 1378 CG GLU A 94 -13.538 -17.210 -12.042 1.00 0.01 C \nATOM 1379 CD GLU A 94 -14.633 -18.279 -12.039 1.00 0.81 C \nATOM 1380 OE1 GLU A 94 -15.076 -18.716 -13.125 1.00 -0.82 O \nATOM 1381 OE2 GLU A 94 -15.057 -18.677 -10.939 1.00 -0.82 O \nATOM 1382 HA GLU A 94 -12.539 -14.724 -13.056 1.00 0.11 H \nATOM 1383 HB2 GLU A 94 -14.193 -16.300 -13.840 1.00 -0.02 H \nATOM 1384 HB3 GLU A 94 -12.944 -17.576 -14.042 1.00 -0.02 H \nATOM 1385 HG2 GLU A 94 -12.616 -17.640 -11.623 1.00 -0.04 H \nATOM 1386 HG3 GLU A 94 -13.863 -16.363 -11.420 1.00 -0.04 H \nATOM 1387 H GLU A 94 -11.168 -15.855 -15.375 1.00 0.29 H \nATOM 1388 N THR A 95 -10.751 -15.831 -11.568 1.00 -0.42 N \nATOM 1389 CA THR A 95 -9.629 -16.411 -10.812 1.00 -0.04 C \nATOM 1390 C THR A 95 -10.136 -17.127 -9.562 1.00 0.60 C \nATOM 1391 O THR A 95 -11.129 -16.698 -8.981 1.00 -0.57 O \nATOM 1392 CB THR A 95 -8.582 -15.375 -10.391 1.00 0.37 C \nATOM 1393 OG1 THR A 95 -9.216 -14.309 -9.668 1.00 -0.68 O \nATOM 1394 CG2 THR A 95 -7.848 -14.830 -11.600 1.00 -0.24 C \nATOM 1395 HA THR A 95 -9.135 -17.149 -11.462 1.00 0.10 H \nATOM 1396 HB THR A 95 -7.851 -15.863 -9.730 1.00 0.00 H \nATOM 1397 HG1 THR A 95 -8.563 -13.670 -9.409 1.00 0.41 H \nATOM 1398 HG23 THR A 95 -6.886 -15.352 -11.711 1.00 0.06 H \nATOM 1399 HG21 THR A 95 -8.458 -14.989 -12.502 1.00 0.06 H \nATOM 1400 HG22 THR A 95 -7.668 -13.753 -11.465 1.00 0.06 H \nATOM 1401 H THR A 95 -11.405 -15.235 -11.103 1.00 0.27 H \nATOM 1402 N ARG A 96 -9.463 -18.229 -9.209 1.00 -0.35 N \nATOM 1403 CA ARG A 96 -9.713 -19.005 -7.979 1.00 -0.26 C \nATOM 1404 C ARG A 96 -8.413 -19.532 -7.349 1.00 0.73 C \nATOM 1405 O ARG A 96 -7.469 -19.873 -8.030 1.00 -0.59 O \nATOM 1406 CB ARG A 96 -10.601 -20.206 -8.258 1.00 -0.00 C \nATOM 1407 CG ARG A 96 -12.044 -19.872 -8.568 1.00 0.04 C \nATOM 1408 CD ARG A 96 -12.736 -21.082 -9.134 1.00 0.05 C \nATOM 1409 NE ARG A 96 -14.106 -20.776 -9.562 1.00 -0.53 N \nATOM 1410 CZ ARG A 96 -15.213 -21.184 -8.955 1.00 0.81 C \nATOM 1411 NH1 ARG A 96 -15.188 -21.945 -7.877 1.00 -0.86 N \nATOM 1412 NH2 ARG A 96 -16.372 -20.834 -9.459 1.00 -0.86 N \nATOM 1413 HA ARG A 96 -10.216 -18.346 -7.256 1.00 0.16 H \nATOM 1414 HB2 ARG A 96 -10.183 -20.748 -9.119 1.00 0.03 H \nATOM 1415 HB3 ARG A 96 -10.584 -20.857 -7.372 1.00 0.03 H \nATOM 1416 HG2 ARG A 96 -12.553 -19.559 -7.645 1.00 0.03 H \nATOM 1417 HG3 ARG A 96 -12.080 -19.054 -9.302 1.00 0.03 H \nATOM 1418 HD2 ARG A 96 -12.165 -21.446 -10.001 1.00 0.07 H \nATOM 1419 HD3 ARG A 96 -12.771 -21.866 -8.363 1.00 0.07 H \nATOM 1420 HE ARG A 96 -14.218 -20.195 -10.405 1.00 0.35 H \nATOM 1421 HH12 ARG A 96 -16.070 -22.241 -7.435 1.00 0.45 H \nATOM 1422 HH11 ARG A 96 -14.286 -22.243 -7.478 1.00 0.45 H \nATOM 1423 HH22 ARG A 96 -17.245 -21.139 -9.005 1.00 0.45 H \nATOM 1424 HH21 ARG A 96 -16.410 -20.254 -10.309 1.00 0.45 H \nATOM 1425 H ARG A 96 -8.740 -18.549 -9.822 1.00 0.27 H \nATOM 1426 N TYR A 97 -8.396 -19.617 -6.041 1.00 -0.42 N \nATOM 1427 CA TYR A 97 -7.303 -20.254 -5.309 1.00 -0.00 C \nATOM 1428 C TYR A 97 -7.425 -21.747 -5.456 1.00 0.60 C \nATOM 1429 O TYR A 97 -8.449 -22.313 -5.067 1.00 -0.57 O \nATOM 1430 CB TYR A 97 -7.422 -19.928 -3.828 1.00 -0.02 C \nATOM 1431 CG TYR A 97 -7.278 -18.484 -3.435 1.00 -0.00 C \nATOM 1432 CD1 TYR A 97 -8.312 -17.806 -2.777 1.00 -0.19 C \nATOM 1433 CD2 TYR A 97 -6.104 -17.786 -3.689 1.00 -0.19 C \nATOM 1434 CE1 TYR A 97 -8.183 -16.478 -2.398 1.00 -0.23 C \nATOM 1435 CE2 TYR A 97 -5.962 -16.461 -3.293 1.00 -0.23 C \nATOM 1436 CZ TYR A 97 -6.995 -15.813 -2.651 1.00 0.32 C \nATOM 1437 OH TYR A 97 -6.821 -14.495 -2.266 1.00 -0.56 O \nATOM 1438 HA TYR A 97 -6.335 -19.907 -5.700 1.00 0.09 H \nATOM 1439 HB3 TYR A 97 -8.413 -20.266 -3.492 1.00 0.03 H \nATOM 1440 HB2 TYR A 97 -6.642 -20.495 -3.299 1.00 0.03 H \nATOM 1441 HD2 TYR A 97 -5.288 -18.281 -4.203 1.00 0.17 H \nATOM 1442 HE2 TYR A 97 -5.035 -15.935 -3.490 1.00 0.17 H \nATOM 1443 HE1 TYR A 97 -9.004 -15.966 -1.909 1.00 0.17 H \nATOM 1444 HD1 TYR A 97 -9.235 -18.331 -2.559 1.00 0.17 H \nATOM 1445 HH TYR A 97 -7.610 -14.183 -1.838 1.00 0.40 H \nATOM 1446 H TYR A 97 -9.160 -19.231 -5.524 1.00 0.27 H \nATOM 1447 N HIS A 98 -6.409 -22.435 -5.984 1.00 -0.42 N \nATOM 1448 CA HIS A 98 -6.514 -23.899 -6.056 1.00 0.02 C \nATOM 1449 C HIS A 98 -6.040 -24.591 -4.769 1.00 0.60 C \nATOM 1450 O HIS A 98 -6.188 -25.768 -4.659 1.00 -0.57 O \nATOM 1451 CB HIS A 98 -5.732 -24.476 -7.242 1.00 -0.05 C \nATOM 1452 CG HIS A 98 -4.252 -24.314 -7.119 1.00 -0.03 C \nATOM 1453 ND1 HIS A 98 -3.482 -25.089 -6.275 1.00 -0.38 N \nATOM 1454 CD2 HIS A 98 -3.396 -23.476 -7.754 1.00 0.13 C \nATOM 1455 CE1 HIS A 98 -2.219 -24.694 -6.355 1.00 0.21 C \nATOM 1456 NE2 HIS A 98 -2.134 -23.750 -7.285 1.00 -0.57 N \nATOM 1457 HA HIS A 98 -7.577 -24.143 -6.199 1.00 0.09 H \nATOM 1458 HB2 HIS A 98 -5.959 -25.550 -7.319 1.00 0.04 H \nATOM 1459 HB3 HIS A 98 -6.063 -23.965 -8.158 1.00 0.04 H \nATOM 1460 HD2 HIS A 98 -3.660 -22.725 -8.498 1.00 0.11 H \nATOM 1461 HE1 HIS A 98 -1.392 -25.078 -5.759 1.00 0.14 H \nATOM 1462 HD1 HIS A 98 -3.833 -25.852 -5.679 1.00 0.36 H \nATOM 1463 H HIS A 98 -5.595 -21.964 -6.323 1.00 0.27 H \nATOM 1464 N ASP A 99 -5.451 -23.856 -3.825 1.00 -0.52 N \nATOM 1465 CA ASP A 99 -4.957 -24.420 -2.553 1.00 0.04 C \nATOM 1466 C ASP A 99 -5.735 -23.956 -1.308 1.00 0.54 C \nATOM 1467 O ASP A 99 -5.305 -24.171 -0.202 1.00 -0.58 O \nATOM 1468 CB ASP A 99 -3.462 -24.088 -2.359 1.00 -0.03 C \nATOM 1469 CG ASP A 99 -3.151 -22.589 -2.455 1.00 0.80 C \nATOM 1470 OD1 ASP A 99 -4.039 -21.721 -2.753 1.00 -0.80 O \nATOM 1471 OD2 ASP A 99 -1.947 -22.290 -2.267 1.00 -0.80 O \nATOM 1472 HA ASP A 99 -5.062 -25.513 -2.620 1.00 0.09 H \nATOM 1473 HB2 ASP A 99 -3.152 -24.445 -1.366 1.00 -0.01 H \nATOM 1474 HB3 ASP A 99 -2.885 -24.614 -3.134 1.00 -0.01 H \nATOM 1475 H ASP A 99 -5.338 -22.876 -3.986 1.00 0.29 H \nATOM 1476 N ALA A 100 -6.872 -23.318 -1.486 1.00 -0.42 N \nATOM 1477 CA ALA A 100 -7.680 -22.899 -0.372 1.00 0.03 C \nATOM 1478 C ALA A 100 -8.635 -24.056 -0.036 1.00 0.60 C \nATOM 1479 O ALA A 100 -9.288 -24.615 -0.908 1.00 -0.57 O \nATOM 1480 CB ALA A 100 -8.408 -21.624 -0.732 1.00 -0.18 C \nATOM 1481 HA ALA A 100 -7.037 -22.702 0.498 1.00 0.08 H \nATOM 1482 HB1 ALA A 100 -9.026 -21.302 0.119 1.00 0.06 H \nATOM 1483 HB2 ALA A 100 -7.676 -20.839 -0.971 1.00 0.06 H \nATOM 1484 HB3 ALA A 100 -9.051 -21.803 -1.606 1.00 0.06 H \nATOM 1485 H ALA A 100 -7.181 -23.120 -2.416 1.00 0.27 H \nATOM 1486 N ASP A 101 -8.660 -24.479 1.213 1.00 -0.52 N \nATOM 1487 CA ASP A 101 -9.525 -25.602 1.594 1.00 0.04 C \nATOM 1488 C ASP A 101 -10.136 -25.436 2.981 1.00 0.54 C \nATOM 1489 O ASP A 101 -9.550 -25.847 3.989 1.00 -0.58 O \nATOM 1490 CB ASP A 101 -8.767 -26.939 1.496 1.00 -0.03 C \nATOM 1491 CG ASP A 101 -9.676 -28.164 1.689 1.00 0.80 C \nATOM 1492 OD1 ASP A 101 -9.221 -29.261 1.346 1.00 -0.80 O \nATOM 1493 OD2 ASP A 101 -10.838 -28.070 2.154 1.00 -0.80 O \nATOM 1494 HA ASP A 101 -10.355 -25.634 0.872 1.00 0.09 H \nATOM 1495 HB2 ASP A 101 -8.299 -27.004 0.503 1.00 -0.01 H \nATOM 1496 HB3 ASP A 101 -7.987 -26.957 2.271 1.00 -0.01 H \nATOM 1497 H ASP A 101 -8.088 -24.034 1.902 1.00 0.29 H \nATOM 1498 N VAL A 102 -11.361 -24.926 2.989 1.00 -0.42 N \nATOM 1499 CA VAL A 102 -12.175 -24.863 4.182 1.00 -0.09 C \nATOM 1500 C VAL A 102 -13.445 -25.705 4.000 1.00 0.60 C \nATOM 1501 O VAL A 102 -14.493 -25.349 4.464 1.00 -0.57 O \nATOM 1502 CB VAL A 102 -12.486 -23.390 4.537 1.00 0.30 C \nATOM 1503 CG1 VAL A 102 -13.042 -23.305 5.940 1.00 -0.32 C \nATOM 1504 CG2 VAL A 102 -11.219 -22.521 4.415 1.00 -0.32 C \nATOM 1505 HA VAL A 102 -11.601 -25.296 5.015 1.00 0.10 H \nATOM 1506 HB VAL A 102 -13.241 -23.010 3.833 1.00 -0.03 H \nATOM 1507 HG11 VAL A 102 -12.307 -23.711 6.651 1.00 0.08 H \nATOM 1508 HG12 VAL A 102 -13.251 -22.254 6.189 1.00 0.08 H \nATOM 1509 HG13 VAL A 102 -13.973 -23.888 6.002 1.00 0.08 H \nATOM 1510 HG21 VAL A 102 -10.836 -22.574 3.385 1.00 0.08 H \nATOM 1511 HG22 VAL A 102 -11.465 -21.478 4.661 1.00 0.08 H \nATOM 1512 HG23 VAL A 102 -10.452 -22.891 5.111 1.00 0.08 H \nATOM 1513 H VAL A 102 -11.737 -24.570 2.133 1.00 0.27 H \nATOM 1514 N THR A 103 -13.314 -26.849 3.336 1.00 -0.42 N \nATOM 1515 CA THR A 103 -14.441 -27.719 3.040 1.00 -0.04 C \nATOM 1516 C THR A 103 -14.970 -28.432 4.279 1.00 0.60 C \nATOM 1517 O THR A 103 -16.110 -28.844 4.276 1.00 -0.57 O \nATOM 1518 CB THR A 103 -14.125 -28.748 1.917 1.00 0.37 C \nATOM 1519 OG1 THR A 103 -13.041 -29.609 2.296 1.00 -0.68 O \nATOM 1520 CG2 THR A 103 -13.746 -28.046 0.643 1.00 -0.24 C \nATOM 1521 HA THR A 103 -15.250 -27.073 2.668 1.00 0.10 H \nATOM 1522 HB THR A 103 -15.023 -29.358 1.739 1.00 0.00 H \nATOM 1523 HG1 THR A 103 -12.868 -30.227 1.596 1.00 0.41 H \nATOM 1524 HG23 THR A 103 -14.619 -28.000 -0.024 1.00 0.06 H \nATOM 1525 HG21 THR A 103 -13.407 -27.025 0.874 1.00 0.06 H \nATOM 1526 HG22 THR A 103 -12.934 -28.599 0.147 1.00 0.06 H \nATOM 1527 H THR A 103 -12.403 -27.123 3.027 1.00 0.27 H \nATOM 1528 N ALA A 104 -14.205 -28.492 5.371 1.00 -0.42 N \nATOM 1529 CA ALA A 104 -14.726 -29.066 6.607 1.00 0.03 C \nATOM 1530 C ALA A 104 -15.940 -28.290 7.174 1.00 0.60 C \nATOM 1531 O ALA A 104 -16.681 -28.830 7.958 1.00 -0.57 O \nATOM 1532 CB ALA A 104 -13.631 -29.126 7.642 1.00 -0.18 C \nATOM 1533 HA ALA A 104 -15.056 -30.092 6.388 1.00 0.08 H \nATOM 1534 HB1 ALA A 104 -14.028 -29.559 8.572 1.00 0.06 H \nATOM 1535 HB2 ALA A 104 -12.807 -29.752 7.269 1.00 0.06 H \nATOM 1536 HB3 ALA A 104 -13.258 -28.110 7.841 1.00 0.06 H \nATOM 1537 H ALA A 104 -13.269 -28.141 5.342 1.00 0.27 H \nATOM 1538 N PHE A 105 -16.097 -27.025 6.791 1.00 -0.42 N \nATOM 1539 CA PHE A 105 -17.232 -26.229 7.177 1.00 -0.00 C \nATOM 1540 C PHE A 105 -18.154 -25.959 5.963 1.00 0.60 C \nATOM 1541 O PHE A 105 -18.969 -25.056 5.979 1.00 -0.57 O \nATOM 1542 CB PHE A 105 -16.747 -24.909 7.771 1.00 -0.03 C \nATOM 1543 CG PHE A 105 -15.959 -25.050 9.027 1.00 0.01 C \nATOM 1544 CD1 PHE A 105 -14.627 -24.660 9.068 1.00 -0.13 C \nATOM 1545 CD2 PHE A 105 -16.544 -25.531 10.192 1.00 -0.13 C \nATOM 1546 CE1 PHE A 105 -13.886 -24.768 10.216 1.00 -0.17 C \nATOM 1547 CE2 PHE A 105 -15.803 -25.624 11.355 1.00 -0.17 C \nATOM 1548 CZ PHE A 105 -14.478 -25.256 11.365 1.00 -0.11 C \nATOM 1549 HA PHE A 105 -17.805 -26.775 7.940 1.00 0.10 H \nATOM 1550 HB2 PHE A 105 -16.115 -24.407 7.023 1.00 0.03 H \nATOM 1551 HB3 PHE A 105 -17.627 -24.285 7.986 1.00 0.03 H \nATOM 1552 HD2 PHE A 105 -17.585 -25.834 10.189 1.00 0.13 H \nATOM 1553 HE2 PHE A 105 -16.268 -25.989 12.264 1.00 0.14 H \nATOM 1554 HZ PHE A 105 -13.897 -25.349 12.276 1.00 0.13 H \nATOM 1555 HE1 PHE A 105 -12.843 -24.473 10.222 1.00 0.14 H \nATOM 1556 HD1 PHE A 105 -14.163 -24.262 8.173 1.00 0.13 H \nATOM 1557 H PHE A 105 -15.396 -26.610 6.210 1.00 0.27 H \nATOM 1558 N GLY A 106 -18.024 -26.732 4.888 1.00 -0.42 N \nATOM 1559 CA GLY A 106 -18.940 -26.624 3.780 1.00 -0.03 C \nATOM 1560 C GLY A 106 -18.736 -25.441 2.834 1.00 0.60 C \nATOM 1561 O GLY A 106 -19.655 -25.085 2.102 1.00 -0.57 O \nATOM 1562 HA3 GLY A 106 -18.854 -27.545 3.185 1.00 0.07 H \nATOM 1563 HA2 GLY A 106 -19.956 -26.548 4.194 1.00 0.07 H \nATOM 1564 H GLY A 106 -17.279 -27.398 4.848 1.00 0.27 H \nATOM 1565 N TYR A 107 -17.558 -24.809 2.849 1.00 -0.42 N \nATOM 1566 CA TYR A 107 -17.223 -23.867 1.790 1.00 -0.00 C \nATOM 1567 C TYR A 107 -16.827 -24.694 0.570 1.00 0.60 C \nATOM 1568 O TYR A 107 -16.424 -25.841 0.686 1.00 -0.57 O \nATOM 1569 CB TYR A 107 -16.111 -22.891 2.199 1.00 -0.02 C \nATOM 1570 CG TYR A 107 -16.519 -22.032 3.361 1.00 -0.00 C \nATOM 1571 CD1 TYR A 107 -17.118 -20.801 3.185 1.00 -0.19 C \nATOM 1572 CD2 TYR A 107 -16.395 -22.518 4.654 1.00 -0.19 C \nATOM 1573 CE1 TYR A 107 -17.515 -20.033 4.292 1.00 -0.23 C \nATOM 1574 CE2 TYR A 107 -16.778 -21.760 5.752 1.00 -0.23 C \nATOM 1575 CZ TYR A 107 -17.368 -20.549 5.571 1.00 0.32 C \nATOM 1576 OH TYR A 107 -17.750 -19.847 6.710 1.00 -0.56 O \nATOM 1577 HA TYR A 107 -18.118 -23.276 1.546 1.00 0.09 H \nATOM 1578 HB3 TYR A 107 -15.217 -23.468 2.480 1.00 0.03 H \nATOM 1579 HB2 TYR A 107 -15.875 -22.242 1.343 1.00 0.03 H \nATOM 1580 HD2 TYR A 107 -15.990 -23.511 4.811 1.00 0.17 H \nATOM 1581 HE2 TYR A 107 -16.606 -22.134 6.755 1.00 0.17 H \nATOM 1582 HE1 TYR A 107 -17.934 -19.044 4.148 1.00 0.17 H \nATOM 1583 HD1 TYR A 107 -17.284 -20.423 2.183 1.00 0.17 H \nATOM 1584 HH TYR A 107 -18.148 -19.023 6.455 1.00 0.40 H \nATOM 1585 H TYR A 107 -16.907 -24.983 3.588 1.00 0.27 H \nATOM 1586 N GLU A 108 -16.962 -24.080 -0.591 1.00 -0.52 N \nATOM 1587 CA GLU A 108 -16.647 -24.726 -1.843 1.00 0.04 C \nATOM 1588 C GLU A 108 -15.143 -24.877 -1.885 1.00 0.54 C \nATOM 1589 O GLU A 108 -14.392 -24.045 -1.340 1.00 -0.58 O \nATOM 1590 CB GLU A 108 -17.135 -23.831 -3.003 1.00 0.06 C \nATOM 1591 CG GLU A 108 -17.093 -24.501 -4.332 1.00 0.01 C \nATOM 1592 CD GLU A 108 -17.649 -23.650 -5.463 1.00 0.81 C \nATOM 1593 OE1 GLU A 108 -17.065 -23.751 -6.541 1.00 -0.82 O \nATOM 1594 OE2 GLU A 108 -18.644 -22.911 -5.282 1.00 -0.82 O \nATOM 1595 HA GLU A 108 -17.131 -25.712 -1.903 1.00 0.11 H \nATOM 1596 HB2 GLU A 108 -18.173 -23.531 -2.798 1.00 -0.02 H \nATOM 1597 HB3 GLU A 108 -16.496 -22.936 -3.044 1.00 -0.02 H \nATOM 1598 HG2 GLU A 108 -16.046 -24.747 -4.564 1.00 -0.04 H \nATOM 1599 HG3 GLU A 108 -17.683 -25.428 -4.273 1.00 -0.04 H \nATOM 1600 H GLU A 108 -17.293 -23.137 -0.604 1.00 0.29 H \nATOM 1601 N TYR A 109 -14.674 -25.923 -2.547 1.00 -0.42 N \nATOM 1602 CA TYR A 109 -13.249 -26.103 -2.651 1.00 -0.00 C \nATOM 1603 C TYR A 109 -12.663 -24.836 -3.317 1.00 0.60 C \nATOM 1604 O TYR A 109 -13.237 -24.297 -4.311 1.00 -0.57 O \nATOM 1605 CB TYR A 109 -12.862 -27.438 -3.354 1.00 -0.02 C \nATOM 1606 CG TYR A 109 -11.358 -27.581 -3.290 1.00 -0.00 C \nATOM 1607 CD1 TYR A 109 -10.558 -26.900 -4.193 1.00 -0.19 C \nATOM 1608 CD2 TYR A 109 -10.743 -28.258 -2.240 1.00 -0.19 C \nATOM 1609 CE1 TYR A 109 -9.178 -26.931 -4.103 1.00 -0.23 C \nATOM 1610 CE2 TYR A 109 -9.342 -28.311 -2.144 1.00 -0.23 C \nATOM 1611 CZ TYR A 109 -8.563 -27.634 -3.080 1.00 0.32 C \nATOM 1612 OH TYR A 109 -7.170 -27.632 -3.015 1.00 -0.56 O \nATOM 1613 HA TYR A 109 -12.841 -26.158 -1.631 1.00 0.09 H \nATOM 1614 HB3 TYR A 109 -13.340 -28.284 -2.838 1.00 0.03 H \nATOM 1615 HB2 TYR A 109 -13.191 -27.416 -4.404 1.00 0.03 H \nATOM 1616 HD2 TYR A 109 -11.351 -28.749 -1.489 1.00 0.17 H \nATOM 1617 HE2 TYR A 109 -8.871 -28.875 -1.347 1.00 0.17 H \nATOM 1618 HE1 TYR A 109 -8.576 -26.404 -4.835 1.00 0.17 H \nATOM 1619 HD1 TYR A 109 -11.024 -26.330 -4.988 1.00 0.17 H \nATOM 1620 HH TYR A 109 -6.820 -27.119 -3.734 1.00 0.40 H \nATOM 1621 H TYR A 109 -15.300 -26.579 -2.969 1.00 0.27 H \nATOM 1622 N GLY A 110 -11.567 -24.321 -2.743 1.00 -0.42 N \nATOM 1623 CA GLY A 110 -10.914 -23.082 -3.228 1.00 -0.03 C \nATOM 1624 C GLY A 110 -11.418 -21.744 -2.638 1.00 0.60 C \nATOM 1625 O GLY A 110 -10.799 -20.685 -2.811 1.00 -0.57 O \nATOM 1626 HA3 GLY A 110 -9.841 -23.162 -3.000 1.00 0.07 H \nATOM 1627 HA2 GLY A 110 -11.055 -23.038 -4.318 1.00 0.07 H \nATOM 1628 H GLY A 110 -11.173 -24.793 -1.954 1.00 0.27 H \nATOM 1629 N GLN A 111 -12.568 -21.781 -1.986 1.00 -0.42 N \nATOM 1630 CA GLN A 111 -13.193 -20.591 -1.464 1.00 -0.00 C \nATOM 1631 C GLN A 111 -12.707 -20.309 -0.075 1.00 0.60 C \nATOM 1632 O GLN A 111 -12.646 -21.201 0.749 1.00 -0.57 O \nATOM 1633 CB GLN A 111 -14.699 -20.801 -1.450 1.00 -0.00 C \nATOM 1634 CG GLN A 111 -15.491 -19.711 -0.743 1.00 -0.06 C \nATOM 1635 CD GLN A 111 -16.979 -20.002 -0.727 1.00 0.70 C \nATOM 1636 OE1 GLN A 111 -17.394 -21.166 -0.727 1.00 -0.61 O \nATOM 1637 NE2 GLN A 111 -17.792 -18.957 -0.784 1.00 -0.94 N \nATOM 1638 HA GLN A 111 -12.948 -19.736 -2.112 1.00 0.09 H \nATOM 1639 HB2 GLN A 111 -15.046 -20.854 -2.492 1.00 0.02 H \nATOM 1640 HB3 GLN A 111 -14.906 -21.756 -0.945 1.00 0.02 H \nATOM 1641 HG2 GLN A 111 -15.135 -19.631 0.295 1.00 0.04 H \nATOM 1642 HG3 GLN A 111 -15.322 -18.757 -1.263 1.00 0.04 H \nATOM 1643 HE22 GLN A 111 -18.783 -19.093 -0.776 1.00 0.43 H \nATOM 1644 HE21 GLN A 111 -17.415 -18.032 -0.835 1.00 0.43 H \nATOM 1645 H GLN A 111 -13.019 -22.663 -1.851 1.00 0.27 H \nATOM 1646 N LEU A 112 -12.354 -19.075 0.211 1.00 -0.42 N \nATOM 1647 CA LEU A 112 -12.109 -18.664 1.596 1.00 -0.05 C \nATOM 1648 C LEU A 112 -13.364 -18.030 2.189 1.00 0.60 C \nATOM 1649 O LEU A 112 -14.089 -17.310 1.503 1.00 -0.57 O \nATOM 1650 CB LEU A 112 -10.937 -17.685 1.656 1.00 -0.11 C \nATOM 1651 CG LEU A 112 -9.566 -18.400 1.513 1.00 0.35 C \nATOM 1652 CD1 LEU A 112 -8.453 -17.393 1.437 1.00 -0.41 C \nATOM 1653 CD2 LEU A 112 -9.302 -19.364 2.667 1.00 -0.41 C \nATOM 1654 HA LEU A 112 -11.853 -19.555 2.188 1.00 0.09 H \nATOM 1655 HB2 LEU A 112 -11.043 -16.956 0.839 1.00 0.05 H \nATOM 1656 HB3 LEU A 112 -10.963 -17.160 2.622 1.00 0.05 H \nATOM 1657 HG LEU A 112 -9.579 -18.978 0.577 1.00 -0.04 H \nATOM 1658 HD21 LEU A 112 -10.095 -20.126 2.697 1.00 0.10 H \nATOM 1659 HD22 LEU A 112 -8.328 -19.854 2.520 1.00 0.10 H \nATOM 1660 HD23 LEU A 112 -9.292 -18.807 3.615 1.00 0.10 H \nATOM 1661 HD11 LEU A 112 -8.452 -16.778 2.349 1.00 0.10 H \nATOM 1662 HD12 LEU A 112 -7.490 -17.917 1.346 1.00 0.10 H \nATOM 1663 HD13 LEU A 112 -8.603 -16.747 0.560 1.00 0.10 H \nATOM 1664 H LEU A 112 -12.251 -18.408 -0.527 1.00 0.27 H \nATOM 1665 N PRO A 113 -13.647 -18.302 3.476 1.00 -0.25 N \nATOM 1666 CA PRO A 113 -14.813 -17.645 4.072 1.00 -0.03 C \nATOM 1667 C PRO A 113 -14.700 -16.131 3.999 1.00 0.59 C \nATOM 1668 O PRO A 113 -13.646 -15.582 4.306 1.00 -0.57 O \nATOM 1669 CB PRO A 113 -14.817 -18.144 5.539 1.00 -0.01 C \nATOM 1670 CG PRO A 113 -13.929 -19.348 5.531 1.00 0.02 C \nATOM 1671 CD PRO A 113 -12.894 -19.091 4.474 1.00 0.02 C \nATOM 1672 HA PRO A 113 -15.733 -17.959 3.558 1.00 0.06 H \nATOM 1673 HD3 PRO A 113 -12.525 -20.033 4.041 1.00 0.04 H \nATOM 1674 HD2 PRO A 113 -12.047 -18.517 4.878 1.00 0.04 H \nATOM 1675 HG3 PRO A 113 -14.510 -20.250 5.286 1.00 0.02 H \nATOM 1676 HG2 PRO A 113 -13.449 -19.476 6.513 1.00 0.02 H \nATOM 1677 HB2 PRO A 113 -14.418 -17.372 6.213 1.00 0.03 H \nATOM 1678 HB3 PRO A 113 -15.835 -18.415 5.854 1.00 0.03 H \nATOM 1679 N GLY A 114 -15.791 -15.500 3.571 1.00 -0.42 N \nATOM 1680 CA GLY A 114 -15.881 -14.066 3.403 1.00 -0.03 C \nATOM 1681 C GLY A 114 -15.625 -13.652 1.985 1.00 0.60 C \nATOM 1682 O GLY A 114 -15.688 -12.477 1.682 1.00 -0.57 O \nATOM 1683 HA3 GLY A 114 -16.890 -13.737 3.693 1.00 0.07 H \nATOM 1684 HA2 GLY A 114 -15.137 -13.584 4.054 1.00 0.07 H \nATOM 1685 H GLY A 114 -16.597 -16.050 3.352 1.00 0.27 H \nATOM 1686 N CYS A 115 -15.322 -14.617 1.110 1.00 -0.42 N \nATOM 1687 CA CYS A 115 -15.057 -14.361 -0.282 1.00 0.02 C \nATOM 1688 C CYS A 115 -16.028 -15.151 -1.153 1.00 0.60 C \nATOM 1689 O CYS A 115 -16.526 -16.187 -0.744 1.00 -0.57 O \nATOM 1690 CB CYS A 115 -13.652 -14.810 -0.666 1.00 -0.12 C \nATOM 1691 SG CYS A 115 -12.331 -13.854 0.109 1.00 -0.31 S \nATOM 1692 HA CYS A 115 -15.169 -13.284 -0.477 1.00 0.11 H \nATOM 1693 HB2 CYS A 115 -13.534 -15.863 -0.371 1.00 0.11 H \nATOM 1694 HB3 CYS A 115 -13.548 -14.721 -1.757 1.00 0.11 H \nATOM 1695 HG CYS A 115 -11.437 -14.209 -0.193 1.00 0.19 H \nATOM 1696 H CYS A 115 -15.277 -15.561 1.438 1.00 0.27 H \nATOM 1697 N PRO A 116 -16.245 -14.682 -2.369 1.00 -0.25 N \nATOM 1698 CA PRO A 116 -16.933 -15.489 -3.372 1.00 -0.03 C \nATOM 1699 C PRO A 116 -16.083 -16.708 -3.714 1.00 0.59 C \nATOM 1700 O PRO A 116 -14.880 -16.699 -3.484 1.00 -0.57 O \nATOM 1701 CB PRO A 116 -17.038 -14.535 -4.576 1.00 -0.01 C \nATOM 1702 CG PRO A 116 -15.945 -13.552 -4.393 1.00 0.02 C \nATOM 1703 CD PRO A 116 -15.818 -13.372 -2.905 1.00 0.02 C \nATOM 1704 HA PRO A 116 -17.927 -15.807 -3.025 1.00 0.06 H \nATOM 1705 HD3 PRO A 116 -16.476 -12.566 -2.547 1.00 0.04 H \nATOM 1706 HD2 PRO A 116 -14.779 -13.150 -2.622 1.00 0.04 H \nATOM 1707 HG3 PRO A 116 -16.200 -12.597 -4.876 1.00 0.02 H \nATOM 1708 HG2 PRO A 116 -15.006 -13.937 -4.816 1.00 0.02 H \nATOM 1709 HB2 PRO A 116 -16.906 -15.087 -5.518 1.00 0.03 H \nATOM 1710 HB3 PRO A 116 -18.014 -14.029 -4.582 1.00 0.03 H \nATOM 1711 N ALA A 117 -16.683 -17.751 -4.244 1.00 -0.42 N \nATOM 1712 CA ALA A 117 -15.891 -18.941 -4.626 1.00 0.03 C \nATOM 1713 C ALA A 117 -14.807 -18.619 -5.639 1.00 0.60 C \nATOM 1714 O ALA A 117 -13.754 -19.221 -5.621 1.00 -0.57 O \nATOM 1715 CB ALA A 117 -16.785 -20.076 -5.119 1.00 -0.18 C \nATOM 1716 HA ALA A 117 -15.386 -19.296 -3.715 1.00 0.08 H \nATOM 1717 HB1 ALA A 117 -16.163 -20.941 -5.393 1.00 0.06 H \nATOM 1718 HB2 ALA A 117 -17.484 -20.366 -4.320 1.00 0.06 H \nATOM 1719 HB3 ALA A 117 -17.353 -19.740 -5.999 1.00 0.06 H \nATOM 1720 H ALA A 117 -17.672 -17.740 -4.389 1.00 0.27 H \nATOM 1721 N GLY A 118 -15.062 -17.659 -6.521 1.00 -0.42 N \nATOM 1722 CA GLY A 118 -14.029 -17.118 -7.354 1.00 -0.03 C \nATOM 1723 C GLY A 118 -14.339 -15.699 -7.764 1.00 0.60 C \nATOM 1724 O GLY A 118 -15.474 -15.237 -7.626 1.00 -0.57 O \nATOM 1725 HA3 GLY A 118 -13.079 -17.131 -6.800 1.00 0.07 H \nATOM 1726 HA2 GLY A 118 -13.935 -17.739 -8.257 1.00 0.07 H \nATOM 1727 H GLY A 118 -15.994 -17.307 -6.605 1.00 0.27 H \nATOM 1728 N PHE A 119 -13.324 -15.022 -8.280 1.00 -0.42 N \nATOM 1729 CA PHE A 119 -13.424 -13.629 -8.613 1.00 -0.00 C \nATOM 1730 C PHE A 119 -13.550 -13.469 -10.121 1.00 0.60 C \nATOM 1731 O PHE A 119 -12.697 -13.914 -10.905 1.00 -0.57 O \nATOM 1732 CB PHE A 119 -12.206 -12.868 -8.092 1.00 -0.03 C \nATOM 1733 CG PHE A 119 -11.973 -13.045 -6.621 1.00 0.01 C \nATOM 1734 CD1 PHE A 119 -12.535 -12.169 -5.705 1.00 -0.13 C \nATOM 1735 CD2 PHE A 119 -11.217 -14.104 -6.154 1.00 -0.13 C \nATOM 1736 CE1 PHE A 119 -12.331 -12.329 -4.338 1.00 -0.17 C \nATOM 1737 CE2 PHE A 119 -11.012 -14.280 -4.792 1.00 -0.17 C \nATOM 1738 CZ PHE A 119 -11.564 -13.385 -3.880 1.00 -0.11 C \nATOM 1739 HA PHE A 119 -14.326 -13.215 -8.138 1.00 0.10 H \nATOM 1740 HB2 PHE A 119 -11.316 -13.225 -8.631 1.00 0.03 H \nATOM 1741 HB3 PHE A 119 -12.352 -11.797 -8.295 1.00 0.03 H \nATOM 1742 HD2 PHE A 119 -10.780 -14.803 -6.858 1.00 0.13 H \nATOM 1743 HE2 PHE A 119 -10.421 -15.117 -4.438 1.00 0.14 H \nATOM 1744 HZ PHE A 119 -11.394 -13.515 -2.817 1.00 0.13 H \nATOM 1745 HE1 PHE A 119 -12.771 -11.630 -3.636 1.00 0.14 H \nATOM 1746 HD1 PHE A 119 -13.144 -11.345 -6.060 1.00 0.13 H \nATOM 1747 H PHE A 119 -12.459 -15.497 -8.443 1.00 0.27 H \nATOM 1748 N LYS A 120 -14.623 -12.829 -10.536 1.00 -0.35 N \nATOM 1749 CA LYS A 120 -14.830 -12.630 -11.960 1.00 -0.24 C \nATOM 1750 C LYS A 120 -14.013 -11.419 -12.416 1.00 0.73 C \nATOM 1751 O LYS A 120 -13.991 -10.402 -11.745 1.00 -0.59 O \nATOM 1752 CB LYS A 120 -16.326 -12.466 -12.235 1.00 -0.01 C \nATOM 1753 CG LYS A 120 -17.120 -13.729 -11.913 1.00 0.02 C \nATOM 1754 CD LYS A 120 -17.156 -14.668 -13.130 1.00 -0.05 C \nATOM 1755 CE LYS A 120 -17.411 -16.136 -12.773 1.00 -0.01 C \nATOM 1756 NZ LYS A 120 -18.822 -16.446 -12.386 1.00 -0.39 N \nATOM 1757 HA LYS A 120 -14.472 -13.517 -12.504 1.00 0.14 H \nATOM 1758 HB2 LYS A 120 -16.710 -11.641 -11.618 1.00 0.04 H \nATOM 1759 HB3 LYS A 120 -16.465 -12.223 -13.299 1.00 0.04 H \nATOM 1760 HG2 LYS A 120 -16.645 -14.249 -11.068 1.00 0.01 H \nATOM 1761 HG3 LYS A 120 -18.149 -13.450 -11.641 1.00 0.01 H \nATOM 1762 HD2 LYS A 120 -17.957 -14.331 -13.804 1.00 0.06 H \nATOM 1763 HD3 LYS A 120 -16.188 -14.601 -13.648 1.00 0.06 H \nATOM 1764 HE2 LYS A 120 -17.152 -16.752 -13.647 1.00 0.11 H \nATOM 1765 HE3 LYS A 120 -16.757 -16.403 -11.929 1.00 0.11 H \nATOM 1766 HZ1 LYS A 120 -19.439 -16.211 -13.148 1.00 0.34 H \nATOM 1767 HZ2 LYS A 120 -18.905 -17.429 -12.177 1.00 0.34 H \nATOM 1768 HZ3 LYS A 120 -19.073 -15.907 -11.572 1.00 0.34 H \nATOM 1769 H LYS A 120 -15.290 -12.483 -9.876 1.00 0.27 H \nATOM 1770 N ALA A 121 -13.315 -11.542 -13.535 1.00 -0.42 N \nATOM 1771 CA ALA A 121 -12.573 -10.404 -14.132 1.00 0.03 C \nATOM 1772 C ALA A 121 -13.512 -9.391 -14.789 1.00 0.60 C \nATOM 1773 O ALA A 121 -14.649 -9.705 -15.091 1.00 -0.57 O \nATOM 1774 CB ALA A 121 -11.565 -10.889 -15.147 1.00 -0.18 C \nATOM 1775 HA ALA A 121 -12.031 -9.893 -13.323 1.00 0.08 H \nATOM 1776 HB1 ALA A 121 -11.030 -10.027 -15.573 1.00 0.06 H \nATOM 1777 HB2 ALA A 121 -10.845 -11.561 -14.657 1.00 0.06 H \nATOM 1778 HB3 ALA A 121 -12.085 -11.431 -15.950 1.00 0.06 H \nATOM 1779 H ALA A 121 -13.287 -12.431 -13.992 1.00 0.27 H \nATOM 1780 N ASP A 122 -13.033 -8.172 -15.032 1.00 -0.52 N \nATOM 1781 CA ASP A 122 -13.902 -7.128 -15.558 1.00 0.04 C \nATOM 1782 C ASP A 122 -14.241 -7.386 -17.024 1.00 0.54 C \nATOM 1783 O ASP A 122 -13.331 -7.512 -17.835 1.00 -0.58 O \nATOM 1784 CB ASP A 122 -13.231 -5.772 -15.424 1.00 -0.03 C \nATOM 1785 CG ASP A 122 -14.113 -4.644 -15.890 1.00 0.80 C \nATOM 1786 OD1 ASP A 122 -14.885 -4.129 -15.069 1.00 -0.80 O \nATOM 1787 OD2 ASP A 122 -14.022 -4.258 -17.069 1.00 -0.80 O \nATOM 1788 HA ASP A 122 -14.835 -7.122 -14.976 1.00 0.09 H \nATOM 1789 HB2 ASP A 122 -12.976 -5.607 -14.367 1.00 -0.01 H \nATOM 1790 HB3 ASP A 122 -12.311 -5.773 -16.027 1.00 -0.01 H \nATOM 1791 H ASP A 122 -12.070 -7.972 -14.852 1.00 0.29 H \nATOM 1792 N ASP A 123 -15.531 -7.416 -17.365 1.00 -0.52 N \nATOM 1793 CA ASP A 123 -15.939 -7.774 -18.738 1.00 0.04 C \nATOM 1794 C ASP A 123 -15.408 -6.806 -19.788 1.00 0.54 C \nATOM 1795 O ASP A 123 -15.054 -7.226 -20.882 1.00 -0.58 O \nATOM 1796 CB ASP A 123 -17.454 -7.892 -18.905 1.00 -0.03 C \nATOM 1797 CG ASP A 123 -18.053 -9.076 -18.144 1.00 0.80 C \nATOM 1798 OD1 ASP A 123 -17.335 -10.083 -17.914 1.00 -0.80 O \nATOM 1799 OD2 ASP A 123 -19.256 -9.004 -17.791 1.00 -0.80 O \nATOM 1800 HA ASP A 123 -15.505 -8.763 -18.948 1.00 0.09 H \nATOM 1801 HB2 ASP A 123 -17.920 -6.967 -18.535 1.00 -0.01 H \nATOM 1802 HB3 ASP A 123 -17.680 -8.014 -19.975 1.00 -0.01 H \nATOM 1803 H ASP A 123 -16.228 -7.194 -16.684 1.00 0.29 H \nATOM 1804 N LYS A 124 -15.342 -5.534 -19.473 1.00 -0.35 N \nATOM 1805 CA LYS A 124 -14.823 -4.572 -20.453 1.00 -0.24 C \nATOM 1806 C LYS A 124 -13.313 -4.741 -20.691 1.00 0.73 C \nATOM 1807 O LYS A 124 -12.821 -4.560 -21.813 1.00 -0.59 O \nATOM 1808 CB LYS A 124 -15.169 -3.160 -20.028 1.00 -0.01 C \nATOM 1809 CG LYS A 124 -16.671 -2.901 -20.173 1.00 0.02 C \nATOM 1810 CD LYS A 124 -17.144 -1.684 -19.409 1.00 -0.05 C \nATOM 1811 CE LYS A 124 -18.615 -1.404 -19.712 1.00 -0.01 C \nATOM 1812 NZ LYS A 124 -18.758 -0.831 -21.089 1.00 -0.39 N \nATOM 1813 HA LYS A 124 -15.328 -4.767 -21.410 1.00 0.14 H \nATOM 1814 HB2 LYS A 124 -14.879 -3.018 -18.977 1.00 0.04 H \nATOM 1815 HB3 LYS A 124 -14.618 -2.448 -20.660 1.00 0.04 H \nATOM 1816 HG2 LYS A 124 -16.899 -2.755 -21.239 1.00 0.01 H \nATOM 1817 HG3 LYS A 124 -17.215 -3.781 -19.799 1.00 0.01 H \nATOM 1818 HD2 LYS A 124 -17.024 -1.864 -18.330 1.00 0.06 H \nATOM 1819 HD3 LYS A 124 -16.541 -0.813 -19.705 1.00 0.06 H \nATOM 1820 HE2 LYS A 124 -19.185 -2.343 -19.648 1.00 0.11 H \nATOM 1821 HE3 LYS A 124 -19.007 -0.686 -18.977 1.00 0.11 H \nATOM 1822 HZ1 LYS A 124 -18.392 -1.484 -21.764 1.00 0.34 H \nATOM 1823 HZ2 LYS A 124 -19.732 -0.659 -21.282 1.00 0.34 H \nATOM 1824 HZ3 LYS A 124 -18.246 0.035 -21.147 1.00 0.34 H \nATOM 1825 H LYS A 124 -15.643 -5.222 -18.572 1.00 0.27 H \nATOM 1826 N LEU A 125 -12.584 -5.096 -19.630 1.00 -0.42 N \nATOM 1827 CA LEU A 125 -11.133 -5.322 -19.737 1.00 -0.05 C \nATOM 1828 C LEU A 125 -10.866 -6.584 -20.551 1.00 0.60 C \nATOM 1829 O LEU A 125 -9.942 -6.616 -21.369 1.00 -0.57 O \nATOM 1830 CB LEU A 125 -10.495 -5.436 -18.363 1.00 -0.11 C \nATOM 1831 CG LEU A 125 -10.484 -4.207 -17.445 1.00 0.35 C \nATOM 1832 CD1 LEU A 125 -9.589 -4.448 -16.235 1.00 -0.41 C \nATOM 1833 CD2 LEU A 125 -10.006 -2.949 -18.160 1.00 -0.41 C \nATOM 1834 HA LEU A 125 -10.683 -4.465 -20.259 1.00 0.09 H \nATOM 1835 HB2 LEU A 125 -11.027 -6.235 -17.826 1.00 0.05 H \nATOM 1836 HB3 LEU A 125 -9.447 -5.732 -18.518 1.00 0.05 H \nATOM 1837 HG LEU A 125 -11.513 -4.036 -17.095 1.00 -0.04 H \nATOM 1838 HD21 LEU A 125 -10.667 -2.739 -19.013 1.00 0.10 H \nATOM 1839 HD22 LEU A 125 -10.028 -2.100 -17.461 1.00 0.10 H \nATOM 1840 HD23 LEU A 125 -8.978 -3.101 -18.521 1.00 0.10 H \nATOM 1841 HD11 LEU A 125 -8.564 -4.659 -16.573 1.00 0.10 H \nATOM 1842 HD12 LEU A 125 -9.587 -3.553 -15.596 1.00 0.10 H \nATOM 1843 HD13 LEU A 125 -9.970 -5.306 -15.662 1.00 0.10 H \nATOM 1844 H LEU A 125 -13.033 -5.211 -18.744 1.00 0.27 H \nATOM 1845 N ILE A 126 -11.707 -7.603 -20.365 1.00 -0.42 N \nATOM 1846 CA ILE A 126 -11.608 -8.829 -21.140 1.00 -0.06 C \nATOM 1847 C ILE A 126 -11.878 -8.592 -22.620 1.00 0.60 C \nATOM 1848 O ILE A 126 -11.199 -9.158 -23.471 1.00 -0.57 O \nATOM 1849 CB ILE A 126 -12.605 -9.884 -20.652 1.00 0.13 C \nATOM 1850 CG1 ILE A 126 -12.203 -10.402 -19.273 1.00 -0.04 C \nATOM 1851 CG2 ILE A 126 -12.660 -11.071 -21.613 1.00 -0.32 C \nATOM 1852 CD1 ILE A 126 -13.330 -11.137 -18.601 1.00 -0.07 C \nATOM 1853 HA ILE A 126 -10.587 -9.223 -21.025 1.00 0.09 H \nATOM 1854 HB ILE A 126 -13.602 -9.424 -20.590 1.00 0.02 H \nATOM 1855 HG12 ILE A 126 -11.349 -11.086 -19.385 1.00 0.02 H \nATOM 1856 HG13 ILE A 126 -11.910 -9.549 -18.644 1.00 0.02 H \nATOM 1857 HD11 ILE A 126 -13.634 -11.991 -19.224 1.00 0.02 H \nATOM 1858 HD12 ILE A 126 -12.996 -11.501 -17.618 1.00 0.02 H \nATOM 1859 HD13 ILE A 126 -14.184 -10.457 -18.469 1.00 0.02 H \nATOM 1860 HG21 ILE A 126 -11.662 -11.526 -21.691 1.00 0.09 H \nATOM 1861 HG22 ILE A 126 -13.374 -11.817 -21.234 1.00 0.09 H \nATOM 1862 HG23 ILE A 126 -12.984 -10.724 -22.606 1.00 0.09 H \nATOM 1863 H ILE A 126 -12.425 -7.521 -19.674 1.00 0.27 H \nATOM 1864 N ALA A 127 -12.908 -7.802 -22.919 1.00 -0.42 N \nATOM 1865 CA ALA A 127 -13.262 -7.522 -24.317 1.00 0.03 C \nATOM 1866 C ALA A 127 -12.110 -6.781 -24.986 1.00 0.60 C \nATOM 1867 O ALA A 127 -11.711 -7.091 -26.115 1.00 -0.57 O \nATOM 1868 CB ALA A 127 -14.518 -6.687 -24.369 1.00 -0.18 C \nATOM 1869 HA ALA A 127 -13.438 -8.471 -24.845 1.00 0.08 H \nATOM 1870 HB1 ALA A 127 -14.778 -6.481 -25.418 1.00 0.06 H \nATOM 1871 HB2 ALA A 127 -15.342 -7.234 -23.888 1.00 0.06 H \nATOM 1872 HB3 ALA A 127 -14.349 -5.738 -23.839 1.00 0.06 H \nATOM 1873 H ALA A 127 -13.447 -7.394 -22.182 1.00 0.27 H \nATOM 1874 N ALA A 128 -11.530 -5.846 -24.249 1.00 -0.42 N \nATOM 1875 CA ALA A 128 -10.439 -5.060 -24.761 1.00 0.03 C \nATOM 1876 C ALA A 128 -9.221 -5.921 -25.016 1.00 0.60 C \nATOM 1877 O ALA A 128 -8.604 -5.780 -26.055 1.00 -0.57 O \nATOM 1878 CB ALA A 128 -10.109 -3.919 -23.816 1.00 -0.18 C \nATOM 1879 HA ALA A 128 -10.754 -4.626 -25.721 1.00 0.08 H \nATOM 1880 HB1 ALA A 128 -9.274 -3.333 -24.227 1.00 0.06 H \nATOM 1881 HB2 ALA A 128 -10.990 -3.271 -23.702 1.00 0.06 H \nATOM 1882 HB3 ALA A 128 -9.824 -4.326 -22.835 1.00 0.06 H \nATOM 1883 H ALA A 128 -11.857 -5.683 -23.318 1.00 0.27 H \nATOM 1884 N ALA A 129 -8.888 -6.829 -24.099 1.00 -0.42 N \nATOM 1885 CA ALA A 129 -7.765 -7.780 -24.325 1.00 0.03 C \nATOM 1886 C ALA A 129 -8.001 -8.705 -25.517 1.00 0.60 C \nATOM 1887 O ALA A 129 -7.072 -8.960 -26.305 1.00 -0.57 O \nATOM 1888 CB ALA A 129 -7.486 -8.605 -23.075 1.00 -0.18 C \nATOM 1889 HA ALA A 129 -6.868 -7.182 -24.542 1.00 0.08 H \nATOM 1890 HB1 ALA A 129 -6.654 -9.297 -23.271 1.00 0.06 H \nATOM 1891 HB2 ALA A 129 -7.218 -7.934 -22.245 1.00 0.06 H \nATOM 1892 HB3 ALA A 129 -8.385 -9.179 -22.806 1.00 0.06 H \nATOM 1893 H ALA A 129 -9.402 -6.872 -23.243 1.00 0.27 H \nATOM 1894 N GLU A 130 -9.229 -9.199 -25.666 1.00 -0.52 N \nATOM 1895 CA GLU A 130 -9.568 -10.017 -26.838 1.00 0.04 C \nATOM 1896 C GLU A 130 -9.440 -9.258 -28.174 1.00 0.54 C \nATOM 1897 O GLU A 130 -9.031 -9.838 -29.175 1.00 -0.58 O \nATOM 1898 CB GLU A 130 -10.953 -10.658 -26.669 1.00 0.06 C \nATOM 1899 CG GLU A 130 -10.983 -11.621 -25.480 1.00 0.01 C \nATOM 1900 CD GLU A 130 -12.188 -12.548 -25.441 1.00 0.81 C \nATOM 1901 OE1 GLU A 130 -13.334 -12.078 -25.605 1.00 -0.82 O \nATOM 1902 OE2 GLU A 130 -11.980 -13.755 -25.193 1.00 -0.82 O \nATOM 1903 HA GLU A 130 -8.836 -10.837 -26.874 1.00 0.11 H \nATOM 1904 HB2 GLU A 130 -11.697 -9.864 -26.505 1.00 -0.02 H \nATOM 1905 HB3 GLU A 130 -11.204 -11.213 -27.585 1.00 -0.02 H \nATOM 1906 HG2 GLU A 130 -10.075 -12.241 -25.519 1.00 -0.04 H \nATOM 1907 HG3 GLU A 130 -10.980 -11.024 -24.556 1.00 -0.04 H \nATOM 1908 H GLU A 130 -9.926 -9.011 -24.974 1.00 0.29 H \nATOM 1909 N SER A 131 -9.749 -7.972 -28.196 1.00 -0.42 N \nATOM 1910 CA SER A 131 -9.504 -7.176 -29.402 1.00 -0.02 C \nATOM 1911 C SER A 131 -8.016 -7.027 -29.713 1.00 0.60 C \nATOM 1912 O SER A 131 -7.627 -7.072 -30.874 1.00 -0.57 O \nATOM 1913 CB SER A 131 -10.167 -5.818 -29.282 1.00 0.21 C \nATOM 1914 OG SER A 131 -11.562 -6.013 -29.285 1.00 -0.65 O \nATOM 1915 HA SER A 131 -9.967 -7.705 -30.248 1.00 0.08 H \nATOM 1916 HB2 SER A 131 -9.860 -5.334 -28.343 1.00 0.04 H \nATOM 1917 HB3 SER A 131 -9.877 -5.184 -30.133 1.00 0.04 H \nATOM 1918 HG SER A 131 -11.999 -5.173 -29.211 1.00 0.43 H \nATOM 1919 H SER A 131 -10.151 -7.542 -27.388 1.00 0.27 H \nATOM 1920 N CYS A 132 -7.174 -6.865 -28.683 1.00 -0.42 N \nATOM 1921 CA CYS A 132 -5.706 -6.823 -28.891 1.00 0.02 C \nATOM 1922 C CYS A 132 -5.151 -8.138 -29.431 1.00 0.60 C \nATOM 1923 O CYS A 132 -4.292 -8.155 -30.336 1.00 -0.57 O \nATOM 1924 CB CYS A 132 -4.965 -6.474 -27.605 1.00 -0.12 C \nATOM 1925 SG CYS A 132 -5.401 -4.894 -26.866 1.00 -0.31 S \nATOM 1926 HA CYS A 132 -5.500 -6.036 -29.632 1.00 0.11 H \nATOM 1927 HB2 CYS A 132 -5.175 -7.263 -26.868 1.00 0.11 H \nATOM 1928 HB3 CYS A 132 -3.888 -6.458 -27.828 1.00 0.11 H \nATOM 1929 HG CYS A 132 -4.861 -4.755 -26.026 1.00 0.19 H \nATOM 1930 H CYS A 132 -7.542 -6.771 -27.758 1.00 0.27 H \nATOM 1931 N ILE A 133 -5.618 -9.246 -28.865 1.00 -0.42 N \nATOM 1932 CA ILE A 133 -5.278 -10.575 -29.356 1.00 -0.06 C \nATOM 1933 C ILE A 133 -5.635 -10.720 -30.844 1.00 0.60 C \nATOM 1934 O ILE A 133 -4.857 -11.268 -31.624 1.00 -0.57 O \nATOM 1935 CB ILE A 133 -6.020 -11.656 -28.544 1.00 0.13 C \nATOM 1936 CG1 ILE A 133 -5.350 -11.833 -27.171 1.00 -0.04 C \nATOM 1937 CG2 ILE A 133 -6.062 -12.977 -29.300 1.00 -0.32 C \nATOM 1938 CD1 ILE A 133 -6.226 -12.494 -26.132 1.00 -0.07 C \nATOM 1939 HA ILE A 133 -4.195 -10.724 -29.237 1.00 0.09 H \nATOM 1940 HB ILE A 133 -7.055 -11.319 -28.384 1.00 0.02 H \nATOM 1941 HG12 ILE A 133 -4.449 -12.449 -27.304 1.00 0.02 H \nATOM 1942 HG13 ILE A 133 -5.062 -10.839 -26.797 1.00 0.02 H \nATOM 1943 HD11 ILE A 133 -6.524 -13.492 -26.485 1.00 0.02 H \nATOM 1944 HD12 ILE A 133 -5.668 -12.590 -25.189 1.00 0.02 H \nATOM 1945 HD13 ILE A 133 -7.124 -11.881 -25.966 1.00 0.02 H \nATOM 1946 HG21 ILE A 133 -5.035 -13.318 -29.500 1.00 0.09 H \nATOM 1947 HG22 ILE A 133 -6.587 -13.730 -28.694 1.00 0.09 H \nATOM 1948 HG23 ILE A 133 -6.594 -12.837 -30.253 1.00 0.09 H \nATOM 1949 H ILE A 133 -6.224 -9.165 -28.074 1.00 0.27 H \nATOM 1950 N ARG A 134 -6.819 -10.243 -31.221 1.00 -0.35 N \nATOM 1951 CA ARG A 134 -7.274 -10.335 -32.614 1.00 -0.26 C \nATOM 1952 C ARG A 134 -6.382 -9.533 -33.541 1.00 0.73 C \nATOM 1953 O ARG A 134 -5.870 -10.072 -34.524 1.00 -0.59 O \nATOM 1954 CB ARG A 134 -8.746 -9.908 -32.741 1.00 -0.00 C \nATOM 1955 CG ARG A 134 -9.707 -11.065 -32.482 1.00 0.04 C \nATOM 1956 CD ARG A 134 -11.120 -10.782 -32.942 1.00 0.05 C \nATOM 1957 NE ARG A 134 -11.675 -9.617 -32.254 1.00 -0.53 N \nATOM 1958 CZ ARG A 134 -12.306 -9.632 -31.080 1.00 0.81 C \nATOM 1959 NH1 ARG A 134 -12.495 -10.762 -30.391 1.00 -0.86 N \nATOM 1960 NH2 ARG A 134 -12.758 -8.481 -30.587 1.00 -0.86 N \nATOM 1961 HA ARG A 134 -7.206 -11.390 -32.918 1.00 0.16 H \nATOM 1962 HB2 ARG A 134 -8.948 -9.110 -32.011 1.00 0.03 H \nATOM 1963 HB3 ARG A 134 -8.917 -9.526 -33.758 1.00 0.03 H \nATOM 1964 HG2 ARG A 134 -9.337 -11.953 -33.016 1.00 0.03 H \nATOM 1965 HG3 ARG A 134 -9.726 -11.268 -31.401 1.00 0.03 H \nATOM 1966 HD2 ARG A 134 -11.113 -10.590 -34.025 1.00 0.07 H \nATOM 1967 HD3 ARG A 134 -11.749 -11.659 -32.729 1.00 0.07 H \nATOM 1968 HE ARG A 134 -11.569 -8.704 -32.718 1.00 0.35 H \nATOM 1969 HH12 ARG A 134 -12.987 -10.737 -29.486 1.00 0.45 H \nATOM 1970 HH11 ARG A 134 -12.149 -11.657 -30.765 1.00 0.45 H \nATOM 1971 HH22 ARG A 134 -13.249 -8.466 -29.682 1.00 0.45 H \nATOM 1972 HH21 ARG A 134 -12.617 -7.606 -31.111 1.00 0.45 H \nATOM 1973 H ARG A 134 -7.412 -9.812 -30.540 1.00 0.27 H \nATOM 1974 N GLU A 135 -6.134 -8.278 -33.171 1.00 -0.52 N \nATOM 1975 CA GLU A 135 -5.318 -7.362 -33.960 1.00 0.04 C \nATOM 1976 C GLU A 135 -3.852 -7.756 -34.042 1.00 0.54 C \nATOM 1977 O GLU A 135 -3.199 -7.441 -35.019 1.00 -0.58 O \nATOM 1978 CB GLU A 135 -5.394 -5.949 -33.399 1.00 0.06 C \nATOM 1979 CG GLU A 135 -6.764 -5.316 -33.519 1.00 0.01 C \nATOM 1980 CD GLU A 135 -6.937 -4.105 -32.618 1.00 0.81 C \nATOM 1981 OE1 GLU A 135 -7.608 -3.146 -33.042 1.00 -0.82 O \nATOM 1982 OE2 GLU A 135 -6.403 -4.097 -31.484 1.00 -0.82 O \nATOM 1983 HA GLU A 135 -5.725 -7.356 -34.982 1.00 0.11 H \nATOM 1984 HB2 GLU A 135 -5.120 -5.984 -32.334 1.00 -0.02 H \nATOM 1985 HB3 GLU A 135 -4.673 -5.321 -33.943 1.00 -0.02 H \nATOM 1986 HG2 GLU A 135 -6.915 -5.002 -34.562 1.00 -0.04 H \nATOM 1987 HG3 GLU A 135 -7.522 -6.066 -33.248 1.00 -0.04 H \nATOM 1988 H GLU A 135 -6.526 -7.948 -32.312 1.00 0.29 H \nATOM 1989 N LEU A 136 -3.328 -8.416 -33.010 1.00 -0.42 N \nATOM 1990 CA LEU A 136 -1.935 -8.824 -33.007 1.00 -0.05 C \nATOM 1991 C LEU A 136 -1.823 -10.192 -33.622 1.00 0.60 C \nATOM 1992 O LEU A 136 -0.724 -10.677 -33.847 1.00 -0.57 O \nATOM 1993 CB LEU A 136 -1.377 -8.845 -31.581 1.00 -0.11 C \nATOM 1994 CG LEU A 136 -1.130 -7.476 -30.932 1.00 0.35 C \nATOM 1995 CD1 LEU A 136 -1.069 -7.609 -29.430 1.00 -0.41 C \nATOM 1996 CD2 LEU A 136 0.156 -6.837 -31.451 1.00 -0.41 C \nATOM 1997 HA LEU A 136 -1.351 -8.110 -33.606 1.00 0.09 H \nATOM 1998 HB2 LEU A 136 -2.091 -9.393 -30.949 1.00 0.05 H \nATOM 1999 HB3 LEU A 136 -0.418 -9.384 -31.603 1.00 0.05 H \nATOM 2000 HG LEU A 136 -1.972 -6.817 -31.190 1.00 -0.04 H \nATOM 2001 HD21 LEU A 136 0.087 -6.708 -32.541 1.00 0.10 H \nATOM 2002 HD22 LEU A 136 0.296 -5.856 -30.974 1.00 0.10 H \nATOM 2003 HD23 LEU A 136 1.011 -7.487 -31.211 1.00 0.10 H \nATOM 2004 HD11 LEU A 136 -0.256 -8.297 -29.155 1.00 0.10 H \nATOM 2005 HD12 LEU A 136 -0.882 -6.622 -28.982 1.00 0.10 H \nATOM 2006 HD13 LEU A 136 -2.025 -8.005 -29.058 1.00 0.10 H \nATOM 2007 H LEU A 136 -3.905 -8.634 -32.223 1.00 0.27 H \nATOM 2008 N ASN A 137 -2.972 -10.802 -33.896 1.00 -0.42 N \nATOM 2009 CA ASN A 137 -3.057 -12.170 -34.405 1.00 0.01 C \nATOM 2010 C ASN A 137 -2.266 -13.162 -33.557 1.00 0.60 C \nATOM 2011 O ASN A 137 -1.445 -13.923 -34.058 1.00 -0.57 O \nATOM 2012 CB ASN A 137 -2.633 -12.275 -35.875 1.00 -0.20 C \nATOM 2013 CG ASN A 137 -3.120 -13.561 -36.514 1.00 0.71 C \nATOM 2014 OD1 ASN A 137 -4.322 -13.788 -36.608 1.00 -0.59 O \nATOM 2015 ND2 ASN A 137 -2.198 -14.416 -36.926 1.00 -0.92 N \nATOM 2016 HA ASN A 137 -4.115 -12.465 -34.349 1.00 0.10 H \nATOM 2017 HB2 ASN A 137 -3.053 -11.422 -36.428 1.00 0.08 H \nATOM 2018 HB3 ASN A 137 -1.535 -12.244 -35.931 1.00 0.08 H \nATOM 2019 HD22 ASN A 137 -2.471 -15.278 -37.354 1.00 0.42 H \nATOM 2020 HD21 ASN A 137 -1.228 -14.200 -36.810 1.00 0.42 H \nATOM 2021 H ASN A 137 -3.823 -10.299 -33.746 1.00 0.27 H \nATOM 2022 N LEU A 138 -2.544 -13.162 -32.257 1.00 -0.42 N \nATOM 2023 CA LEU A 138 -1.908 -14.096 -31.313 1.00 -0.05 C \nATOM 2024 C LEU A 138 -2.767 -15.328 -30.997 1.00 0.60 C \nATOM 2025 O LEU A 138 -3.983 -15.307 -31.103 1.00 -0.57 O \nATOM 2026 CB LEU A 138 -1.605 -13.360 -30.003 1.00 -0.11 C \nATOM 2027 CG LEU A 138 -0.672 -12.152 -30.096 1.00 0.35 C \nATOM 2028 CD1 LEU A 138 -0.426 -11.566 -28.714 1.00 -0.41 C \nATOM 2029 CD2 LEU A 138 0.647 -12.530 -30.738 1.00 -0.41 C \nATOM 2030 HA LEU A 138 -0.963 -14.441 -31.758 1.00 0.09 H \nATOM 2031 HB2 LEU A 138 -2.562 -13.011 -29.587 1.00 0.05 H \nATOM 2032 HB3 LEU A 138 -1.147 -14.083 -29.312 1.00 0.05 H \nATOM 2033 HG LEU A 138 -1.157 -11.387 -30.720 1.00 -0.04 H \nATOM 2034 HD21 LEU A 138 0.464 -12.922 -31.749 1.00 0.10 H \nATOM 2035 HD22 LEU A 138 1.292 -11.641 -30.801 1.00 0.10 H \nATOM 2036 HD23 LEU A 138 1.143 -13.301 -30.130 1.00 0.10 H \nATOM 2037 HD11 LEU A 138 0.028 -12.331 -28.067 1.00 0.10 H \nATOM 2038 HD12 LEU A 138 0.254 -10.705 -28.796 1.00 0.10 H \nATOM 2039 HD13 LEU A 138 -1.382 -11.238 -28.280 1.00 0.10 H \nATOM 2040 H LEU A 138 -3.210 -12.503 -31.907 1.00 0.27 H \nATOM 2041 N ASN A 139 -2.136 -16.411 -30.594 1.00 -0.42 N \nATOM 2042 CA ASN A 139 -2.885 -17.546 -30.083 1.00 0.01 C \nATOM 2043 C ASN A 139 -3.174 -17.279 -28.605 1.00 0.60 C \nATOM 2044 O ASN A 139 -2.280 -16.878 -27.858 1.00 -0.57 O \nATOM 2045 CB ASN A 139 -2.099 -18.843 -30.236 1.00 -0.20 C \nATOM 2046 CG ASN A 139 -1.815 -19.194 -31.689 1.00 0.71 C \nATOM 2047 OD1 ASN A 139 -0.689 -19.548 -32.045 1.00 -0.59 O \nATOM 2048 ND2 ASN A 139 -2.835 -19.108 -32.530 1.00 -0.92 N \nATOM 2049 HA ASN A 139 -3.832 -17.637 -30.635 1.00 0.10 H \nATOM 2050 HB2 ASN A 139 -1.141 -18.737 -29.706 1.00 0.08 H \nATOM 2051 HB3 ASN A 139 -2.679 -19.661 -29.784 1.00 0.08 H \nATOM 2052 HD22 ASN A 139 -2.706 -19.327 -33.497 1.00 0.42 H \nATOM 2053 HD21 ASN A 139 -3.734 -18.824 -32.198 1.00 0.42 H \nATOM 2054 H ASN A 139 -1.138 -16.452 -30.640 1.00 0.27 H \nATOM 2055 N ALA A 140 -4.420 -17.505 -28.200 1.00 -0.42 N \nATOM 2056 CA ALA A 140 -4.882 -17.184 -26.852 1.00 0.03 C \nATOM 2057 C ALA A 140 -6.026 -18.084 -26.388 1.00 0.60 C \nATOM 2058 O ALA A 140 -6.778 -18.653 -27.200 1.00 -0.57 O \nATOM 2059 CB ALA A 140 -5.296 -15.734 -26.765 1.00 -0.18 C \nATOM 2060 HA ALA A 140 -4.036 -17.340 -26.166 1.00 0.08 H \nATOM 2061 HB1 ALA A 140 -5.640 -15.512 -25.744 1.00 0.06 H \nATOM 2062 HB2 ALA A 140 -4.437 -15.092 -27.010 1.00 0.06 H \nATOM 2063 HB3 ALA A 140 -6.112 -15.542 -27.477 1.00 0.06 H \nATOM 2064 H ALA A 140 -5.067 -17.911 -28.845 1.00 0.27 H \nATOM 2065 N VAL A 141 -6.114 -18.246 -25.070 1.00 -0.42 N \nATOM 2066 CA VAL A 141 -7.262 -18.877 -24.423 1.00 -0.09 C \nATOM 2067 C VAL A 141 -7.782 -17.918 -23.352 1.00 0.60 C \nATOM 2068 O VAL A 141 -6.997 -17.238 -22.664 1.00 -0.57 O \nATOM 2069 CB VAL A 141 -6.870 -20.232 -23.801 1.00 0.30 C \nATOM 2070 CG1 VAL A 141 -8.044 -20.869 -23.077 1.00 -0.32 C \nATOM 2071 CG2 VAL A 141 -6.383 -21.179 -24.890 1.00 -0.32 C \nATOM 2072 HA VAL A 141 -8.050 -19.048 -25.171 1.00 0.10 H \nATOM 2073 HB VAL A 141 -6.057 -20.065 -23.079 1.00 -0.03 H \nATOM 2074 HG11 VAL A 141 -8.870 -21.027 -23.786 1.00 0.08 H \nATOM 2075 HG12 VAL A 141 -7.734 -21.836 -22.655 1.00 0.08 H \nATOM 2076 HG13 VAL A 141 -8.378 -20.205 -22.266 1.00 0.08 H \nATOM 2077 HG21 VAL A 141 -5.513 -20.737 -25.398 1.00 0.08 H \nATOM 2078 HG22 VAL A 141 -6.095 -22.140 -24.439 1.00 0.08 H \nATOM 2079 HG23 VAL A 141 -7.189 -21.344 -25.620 1.00 0.08 H \nATOM 2080 H VAL A 141 -5.361 -17.922 -24.497 1.00 0.27 H \nATOM 2081 N ARG A 142 -9.108 -17.853 -23.239 1.00 -0.35 N \nATOM 2082 CA ARG A 142 -9.798 -17.127 -22.191 1.00 -0.26 C \nATOM 2083 C ARG A 142 -10.443 -18.132 -21.243 1.00 0.73 C \nATOM 2084 O ARG A 142 -11.126 -19.047 -21.682 1.00 -0.59 O \nATOM 2085 CB ARG A 142 -10.899 -16.240 -22.774 1.00 -0.00 C \nATOM 2086 CG ARG A 142 -11.563 -15.336 -21.735 1.00 0.04 C \nATOM 2087 CD ARG A 142 -13.088 -15.435 -21.793 1.00 0.05 C \nATOM 2088 NE ARG A 142 -13.639 -14.653 -22.876 1.00 -0.53 N \nATOM 2089 CZ ARG A 142 -14.933 -14.538 -23.146 1.00 0.81 C \nATOM 2090 NH1 ARG A 142 -15.836 -15.167 -22.417 1.00 -0.86 N \nATOM 2091 NH2 ARG A 142 -15.320 -13.787 -24.164 1.00 -0.86 N \nATOM 2092 HA ARG A 142 -9.077 -16.504 -21.642 1.00 0.16 H \nATOM 2093 HB2 ARG A 142 -10.458 -15.606 -23.557 1.00 0.03 H \nATOM 2094 HB3 ARG A 142 -11.670 -16.887 -23.217 1.00 0.03 H \nATOM 2095 HG2 ARG A 142 -11.224 -15.636 -20.732 1.00 0.03 H \nATOM 2096 HG3 ARG A 142 -11.266 -14.294 -21.926 1.00 0.03 H \nATOM 2097 HD2 ARG A 142 -13.371 -16.488 -21.936 1.00 0.07 H \nATOM 2098 HD3 ARG A 142 -13.504 -15.069 -20.843 1.00 0.07 H \nATOM 2099 HE ARG A 142 -12.978 -14.147 -23.483 1.00 0.35 H \nATOM 2100 HH12 ARG A 142 -16.837 -15.068 -22.639 1.00 0.45 H \nATOM 2101 HH11 ARG A 142 -15.540 -15.757 -21.626 1.00 0.45 H \nATOM 2102 HH22 ARG A 142 -16.322 -13.691 -24.382 1.00 0.45 H \nATOM 2103 HH21 ARG A 142 -14.619 -13.298 -24.739 1.00 0.45 H \nATOM 2104 H ARG A 142 -9.661 -18.335 -23.919 1.00 0.27 H \nATOM 2105 N GLY A 143 -10.228 -17.966 -19.946 1.00 -0.42 N \nATOM 2106 CA GLY A 143 -10.869 -18.841 -18.980 1.00 -0.03 C \nATOM 2107 C GLY A 143 -10.394 -18.663 -17.542 1.00 0.60 C \nATOM 2108 O GLY A 143 -9.787 -17.651 -17.184 1.00 -0.57 O \nATOM 2109 HA3 GLY A 143 -11.952 -18.648 -19.009 1.00 0.07 H \nATOM 2110 HA2 GLY A 143 -10.674 -19.882 -19.278 1.00 0.07 H \nATOM 2111 H GLY A 143 -9.622 -17.235 -19.631 1.00 0.27 H \nATOM 2112 N LEU A 144 -10.714 -19.663 -16.727 1.00 -0.42 N \nATOM 2113 CA LEU A 144 -10.379 -19.681 -15.318 1.00 -0.05 C \nATOM 2114 C LEU A 144 -8.864 -19.792 -15.137 1.00 0.60 C \nATOM 2115 O LEU A 144 -8.235 -20.695 -15.699 1.00 -0.57 O \nATOM 2116 CB LEU A 144 -11.054 -20.901 -14.678 1.00 -0.11 C \nATOM 2117 CG LEU A 144 -10.635 -21.150 -13.226 1.00 0.35 C \nATOM 2118 CD1 LEU A 144 -10.986 -19.952 -12.366 1.00 -0.41 C \nATOM 2119 CD2 LEU A 144 -11.291 -22.431 -12.721 1.00 -0.41 C \nATOM 2120 HA LEU A 144 -10.740 -18.759 -14.839 1.00 0.09 H \nATOM 2121 HB2 LEU A 144 -12.143 -20.748 -14.703 1.00 0.05 H \nATOM 2122 HB3 LEU A 144 -10.795 -21.791 -15.271 1.00 0.05 H \nATOM 2123 HG LEU A 144 -9.544 -21.286 -13.194 1.00 -0.04 H \nATOM 2124 HD21 LEU A 144 -10.979 -23.276 -13.352 1.00 0.10 H \nATOM 2125 HD22 LEU A 144 -10.982 -22.616 -11.682 1.00 0.10 H \nATOM 2126 HD23 LEU A 144 -12.385 -22.325 -12.765 1.00 0.10 H \nATOM 2127 HD11 LEU A 144 -12.071 -19.774 -12.411 1.00 0.10 H \nATOM 2128 HD12 LEU A 144 -10.689 -20.148 -11.325 1.00 0.10 H \nATOM 2129 HD13 LEU A 144 -10.453 -19.065 -12.738 1.00 0.10 H \nATOM 2130 H LEU A 144 -11.212 -20.443 -17.106 1.00 0.27 H \nATOM 2131 N ILE A 145 -8.282 -18.877 -14.370 1.00 -0.42 N \nATOM 2132 CA ILE A 145 -6.880 -18.981 -13.971 1.00 -0.06 C \nATOM 2133 C ILE A 145 -6.826 -19.263 -12.484 1.00 0.60 C \nATOM 2134 O ILE A 145 -7.426 -18.527 -11.711 1.00 -0.57 O \nATOM 2135 CB ILE A 145 -6.115 -17.678 -14.238 1.00 0.13 C \nATOM 2136 CG1 ILE A 145 -6.180 -17.362 -15.731 1.00 -0.04 C \nATOM 2137 CG2 ILE A 145 -4.651 -17.781 -13.802 1.00 -0.32 C \nATOM 2138 CD1 ILE A 145 -5.182 -16.317 -16.215 1.00 -0.07 C \nATOM 2139 HA ILE A 145 -6.404 -19.802 -14.527 1.00 0.09 H \nATOM 2140 HB ILE A 145 -6.594 -16.864 -13.674 1.00 0.02 H \nATOM 2141 HG12 ILE A 145 -5.993 -18.294 -16.285 1.00 0.02 H \nATOM 2142 HG13 ILE A 145 -7.192 -16.997 -15.958 1.00 0.02 H \nATOM 2143 HD11 ILE A 145 -4.159 -16.661 -16.003 1.00 0.02 H \nATOM 2144 HD12 ILE A 145 -5.302 -16.169 -17.298 1.00 0.02 H \nATOM 2145 HD13 ILE A 145 -5.365 -15.366 -15.693 1.00 0.02 H \nATOM 2146 HG21 ILE A 145 -4.161 -18.598 -14.352 1.00 0.09 H \nATOM 2147 HG22 ILE A 145 -4.136 -16.833 -14.019 1.00 0.09 H \nATOM 2148 HG23 ILE A 145 -4.604 -17.985 -12.722 1.00 0.09 H \nATOM 2149 H ILE A 145 -8.819 -18.094 -14.056 1.00 0.27 H \nATOM 2150 N VAL A 146 -6.092 -20.297 -12.079 1.00 -0.42 N \nATOM 2151 CA VAL A 146 -5.988 -20.632 -10.647 1.00 -0.09 C \nATOM 2152 C VAL A 146 -4.620 -20.251 -10.059 1.00 0.60 C \nATOM 2153 O VAL A 146 -3.581 -20.282 -10.755 1.00 -0.57 O \nATOM 2154 CB VAL A 146 -6.359 -22.110 -10.322 1.00 0.30 C \nATOM 2155 CG1 VAL A 146 -7.807 -22.390 -10.673 1.00 -0.32 C \nATOM 2156 CG2 VAL A 146 -5.432 -23.108 -11.006 1.00 -0.32 C \nATOM 2157 HA VAL A 146 -6.734 -20.008 -10.133 1.00 0.10 H \nATOM 2158 HB VAL A 146 -6.245 -22.247 -9.236 1.00 -0.03 H \nATOM 2159 HG11 VAL A 146 -7.967 -22.202 -11.745 1.00 0.08 H \nATOM 2160 HG12 VAL A 146 -8.043 -23.440 -10.445 1.00 0.08 H \nATOM 2161 HG13 VAL A 146 -8.461 -21.731 -10.084 1.00 0.08 H \nATOM 2162 HG21 VAL A 146 -4.397 -22.930 -10.679 1.00 0.08 H \nATOM 2163 HG22 VAL A 146 -5.731 -24.131 -10.735 1.00 0.08 H \nATOM 2164 HG23 VAL A 146 -5.499 -22.983 -12.097 1.00 0.08 H \nATOM 2165 H VAL A 146 -5.606 -20.853 -12.753 1.00 0.27 H \nATOM 2166 N SER A 147 -4.644 -19.850 -8.789 1.00 -0.42 N \nATOM 2167 CA SER A 147 -3.449 -19.388 -8.093 1.00 -0.02 C \nATOM 2168 C SER A 147 -3.271 -20.194 -6.788 1.00 0.60 C \nATOM 2169 O SER A 147 -4.236 -20.649 -6.206 1.00 -0.57 O \nATOM 2170 CB SER A 147 -3.521 -17.890 -7.761 1.00 0.21 C \nATOM 2171 OG SER A 147 -3.957 -17.079 -8.877 1.00 -0.65 O \nATOM 2172 HA SER A 147 -2.578 -19.560 -8.742 1.00 0.08 H \nATOM 2173 HB2 SER A 147 -4.228 -17.750 -6.930 1.00 0.04 H \nATOM 2174 HB3 SER A 147 -2.521 -17.552 -7.453 1.00 0.04 H \nATOM 2175 HG SER A 147 -3.982 -16.166 -8.614 1.00 0.43 H \nATOM 2176 H SER A 147 -5.513 -19.866 -8.295 1.00 0.27 H \nATOM 2177 N GLY A 148 -2.024 -20.374 -6.385 1.00 -0.42 N \nATOM 2178 CA GLY A 148 -1.653 -21.036 -5.139 1.00 -0.03 C \nATOM 2179 C GLY A 148 -0.224 -20.584 -4.825 1.00 0.60 C \nATOM 2180 O GLY A 148 0.351 -19.795 -5.606 1.00 -0.57 O \nATOM 2181 HA3 GLY A 148 -2.335 -20.735 -4.330 1.00 0.07 H \nATOM 2182 HA2 GLY A 148 -1.689 -22.128 -5.262 1.00 0.07 H \nATOM 2183 H GLY A 148 -1.289 -20.035 -6.972 1.00 0.27 H \nATOM 2184 N ASP A 149 0.384 -21.108 -3.755 1.00 -0.52 N \nATOM 2185 CA ASP A 149 1.785 -20.797 -3.426 1.00 0.04 C \nATOM 2186 C ASP A 149 2.727 -21.939 -3.788 1.00 0.54 C \nATOM 2187 O ASP A 149 3.760 -22.145 -3.138 1.00 -0.58 O \nATOM 2188 CB ASP A 149 1.945 -20.425 -1.923 1.00 -0.03 C \nATOM 2189 CG ASP A 149 1.704 -18.932 -1.638 1.00 0.80 C \nATOM 2190 OD1 ASP A 149 1.757 -18.101 -2.577 1.00 -0.80 O \nATOM 2191 OD2 ASP A 149 1.501 -18.575 -0.435 1.00 -0.80 O \nATOM 2192 HA ASP A 149 2.077 -19.921 -4.023 1.00 0.09 H \nATOM 2193 HB2 ASP A 149 1.222 -21.013 -1.339 1.00 -0.01 H \nATOM 2194 HB3 ASP A 149 2.967 -20.681 -1.607 1.00 -0.01 H \nATOM 2195 H ASP A 149 -0.128 -21.729 -3.161 1.00 0.29 H \nATOM 2196 N ALA A 150 2.414 -22.649 -4.855 1.00 -0.42 N \nATOM 2197 CA ALA A 150 3.256 -23.706 -5.330 1.00 0.03 C \nATOM 2198 C ALA A 150 3.577 -23.519 -6.800 1.00 0.60 C \nATOM 2199 O ALA A 150 2.717 -23.121 -7.585 1.00 -0.57 O \nATOM 2200 CB ALA A 150 2.563 -25.056 -5.111 1.00 -0.18 C \nATOM 2201 HA ALA A 150 4.197 -23.692 -4.760 1.00 0.08 H \nATOM 2202 HB1 ALA A 150 3.212 -25.865 -5.477 1.00 0.06 H \nATOM 2203 HB2 ALA A 150 2.369 -25.199 -4.038 1.00 0.06 H \nATOM 2204 HB3 ALA A 150 1.611 -25.073 -5.661 1.00 0.06 H \nATOM 2205 H ALA A 150 1.567 -22.444 -5.345 1.00 0.27 H \nATOM 2206 N PHE A 151 4.818 -23.829 -7.170 1.00 -0.42 N \nATOM 2207 CA PHE A 151 5.208 -23.898 -8.584 1.00 -0.00 C \nATOM 2208 C PHE A 151 4.890 -25.322 -9.036 1.00 0.60 C \nATOM 2209 O PHE A 151 5.379 -26.318 -8.482 1.00 -0.57 O \nATOM 2210 CB PHE A 151 6.680 -23.582 -8.799 1.00 -0.03 C \nATOM 2211 CG PHE A 151 7.106 -23.672 -10.224 1.00 0.01 C \nATOM 2212 CD1 PHE A 151 7.596 -24.849 -10.740 1.00 -0.13 C \nATOM 2213 CD2 PHE A 151 6.988 -22.600 -11.047 1.00 -0.13 C \nATOM 2214 CE1 PHE A 151 7.954 -24.951 -12.059 1.00 -0.17 C \nATOM 2215 CE2 PHE A 151 7.381 -22.691 -12.376 1.00 -0.17 C \nATOM 2216 CZ PHE A 151 7.839 -23.863 -12.873 1.00 -0.11 C \nATOM 2217 HA PHE A 151 4.609 -23.181 -9.164 1.00 0.10 H \nATOM 2218 HB2 PHE A 151 6.872 -22.559 -8.442 1.00 0.03 H \nATOM 2219 HB3 PHE A 151 7.278 -24.294 -8.211 1.00 0.03 H \nATOM 2220 HD2 PHE A 151 6.585 -21.669 -10.666 1.00 0.13 H \nATOM 2221 HE2 PHE A 151 7.321 -21.819 -13.018 1.00 0.14 H \nATOM 2222 HZ PHE A 151 8.115 -23.937 -13.919 1.00 0.13 H \nATOM 2223 HE1 PHE A 151 8.326 -25.890 -12.452 1.00 0.14 H \nATOM 2224 HD1 PHE A 151 7.701 -25.711 -10.092 1.00 0.13 H \nATOM 2225 H PHE A 151 5.502 -24.020 -6.466 1.00 0.27 H \nATOM 2226 N ILE A 152 4.002 -25.418 -10.010 1.00 -0.42 N \nATOM 2227 CA ILE A 152 3.433 -26.697 -10.351 1.00 -0.06 C \nATOM 2228 C ILE A 152 4.333 -27.460 -11.316 1.00 0.60 C \nATOM 2229 O ILE A 152 4.795 -26.917 -12.311 1.00 -0.57 O \nATOM 2230 CB ILE A 152 2.010 -26.526 -10.853 1.00 0.13 C \nATOM 2231 CG1 ILE A 152 1.202 -25.747 -9.817 1.00 -0.04 C \nATOM 2232 CG2 ILE A 152 1.377 -27.885 -11.187 1.00 -0.32 C \nATOM 2233 CD1 ILE A 152 1.074 -26.429 -8.479 1.00 -0.07 C \nATOM 2234 HA ILE A 152 3.379 -27.292 -9.427 1.00 0.09 H \nATOM 2235 HB ILE A 152 2.039 -25.933 -11.779 1.00 0.02 H \nATOM 2236 HG12 ILE A 152 1.691 -24.774 -9.661 1.00 0.02 H \nATOM 2237 HG13 ILE A 152 0.191 -25.588 -10.219 1.00 0.02 H \nATOM 2238 HD11 ILE A 152 2.075 -26.595 -8.055 1.00 0.02 H \nATOM 2239 HD12 ILE A 152 0.488 -25.794 -7.798 1.00 0.02 H \nATOM 2240 HD13 ILE A 152 0.565 -27.396 -8.607 1.00 0.02 H \nATOM 2241 HG21 ILE A 152 1.369 -28.517 -10.287 1.00 0.09 H \nATOM 2242 HG22 ILE A 152 0.346 -27.733 -11.538 1.00 0.09 H \nATOM 2243 HG23 ILE A 152 1.963 -28.379 -11.976 1.00 0.09 H \nATOM 2244 H ILE A 152 3.724 -24.599 -10.513 1.00 0.27 H \nATOM 2245 N ASN A 153 4.630 -28.699 -10.944 1.00 -0.42 N \nATOM 2246 CA ASN A 153 5.727 -29.471 -11.540 1.00 0.01 C \nATOM 2247 C ASN A 153 5.336 -30.945 -11.679 1.00 0.60 C \nATOM 2248 O ASN A 153 6.104 -31.853 -11.367 1.00 -0.57 O \nATOM 2249 CB ASN A 153 6.981 -29.240 -10.678 1.00 -0.20 C \nATOM 2250 CG ASN A 153 8.277 -29.739 -11.305 1.00 0.71 C \nATOM 2251 OD1 ASN A 153 9.080 -30.359 -10.628 1.00 -0.59 O \nATOM 2252 ND2 ASN A 153 8.508 -29.431 -12.560 1.00 -0.92 N \nATOM 2253 HA ASN A 153 5.927 -29.083 -12.550 1.00 0.10 H \nATOM 2254 HB2 ASN A 153 7.080 -28.159 -10.497 1.00 0.08 H \nATOM 2255 HB3 ASN A 153 6.840 -29.761 -9.719 1.00 0.08 H \nATOM 2256 HD22 ASN A 153 9.348 -29.741 -13.005 1.00 0.42 H \nATOM 2257 HD21 ASN A 153 7.844 -28.886 -13.072 1.00 0.42 H \nATOM 2258 H ASN A 153 4.082 -29.126 -10.225 1.00 0.27 H \nATOM 2259 N GLY A 154 4.113 -31.177 -12.142 1.00 -0.42 N \nATOM 2260 CA GLY A 154 3.648 -32.508 -12.472 1.00 -0.03 C \nATOM 2261 C GLY A 154 3.256 -33.266 -11.225 1.00 0.60 C \nATOM 2262 O GLY A 154 2.987 -32.678 -10.183 1.00 -0.57 O \nATOM 2263 HA3 GLY A 154 2.774 -32.430 -13.136 1.00 0.07 H \nATOM 2264 HA2 GLY A 154 4.453 -33.053 -12.987 1.00 0.07 H \nATOM 2265 H GLY A 154 3.491 -30.404 -12.267 1.00 0.27 H \nATOM 2266 N SER A 155 3.210 -34.581 -11.338 1.00 -0.42 N \nATOM 2267 CA SER A 155 2.964 -35.438 -10.180 1.00 -0.02 C \nATOM 2268 C SER A 155 1.633 -35.102 -9.484 1.00 0.60 C \nATOM 2269 O SER A 155 0.638 -34.735 -10.153 1.00 -0.57 O \nATOM 2270 CB SER A 155 4.167 -35.348 -9.224 1.00 0.21 C \nATOM 2271 OG SER A 155 4.105 -36.343 -8.237 1.00 -0.65 O \nATOM 2272 HA SER A 155 2.893 -36.476 -10.536 1.00 0.08 H \nATOM 2273 HB2 SER A 155 5.095 -35.473 -9.802 1.00 0.04 H \nATOM 2274 HB3 SER A 155 4.167 -34.361 -8.739 1.00 0.04 H \nATOM 2275 HG SER A 155 4.857 -36.266 -7.662 1.00 0.43 H \nATOM 2276 H SER A 155 3.347 -35.000 -12.236 1.00 0.27 H \nATOM 2277 N VAL A 156 1.597 -35.250 -8.162 1.00 -0.42 N \nATOM 2278 CA VAL A 156 0.338 -35.117 -7.414 1.00 -0.09 C \nATOM 2279 C VAL A 156 -0.193 -33.674 -7.382 1.00 0.60 C \nATOM 2280 O VAL A 156 -1.389 -33.457 -7.382 1.00 -0.57 O \nATOM 2281 CB VAL A 156 0.424 -35.726 -5.985 1.00 0.30 C \nATOM 2282 CG1 VAL A 156 0.768 -37.207 -6.074 1.00 -0.32 C \nATOM 2283 CG2 VAL A 156 1.447 -35.020 -5.098 1.00 -0.32 C \nATOM 2284 HA VAL A 156 -0.409 -35.711 -7.962 1.00 0.10 H \nATOM 2285 HB VAL A 156 -0.564 -35.623 -5.513 1.00 -0.03 H \nATOM 2286 HG11 VAL A 156 1.732 -37.329 -6.589 1.00 0.08 H \nATOM 2287 HG12 VAL A 156 0.837 -37.629 -5.061 1.00 0.08 H \nATOM 2288 HG13 VAL A 156 -0.017 -37.733 -6.637 1.00 0.08 H \nATOM 2289 HG21 VAL A 156 1.178 -33.958 -5.002 1.00 0.08 H \nATOM 2290 HG22 VAL A 156 1.454 -35.487 -4.102 1.00 0.08 H \nATOM 2291 HG23 VAL A 156 2.446 -35.106 -5.550 1.00 0.08 H \nATOM 2292 H VAL A 156 2.442 -35.455 -7.668 1.00 0.27 H \nATOM 2293 N GLY A 157 0.689 -32.682 -7.387 1.00 -0.42 N \nATOM 2294 CA GLY A 157 0.230 -31.282 -7.343 1.00 -0.03 C \nATOM 2295 C GLY A 157 -0.544 -30.871 -8.598 1.00 0.60 C \nATOM 2296 O GLY A 157 -1.543 -30.148 -8.529 1.00 -0.57 O \nATOM 2297 HA3 GLY A 157 -0.425 -31.154 -6.469 1.00 0.07 H \nATOM 2298 HA2 GLY A 157 1.108 -30.627 -7.242 1.00 0.07 H \nATOM 2299 H GLY A 157 1.668 -32.885 -7.421 1.00 0.27 H \nATOM 2300 N LEU A 158 -0.087 -31.334 -9.747 1.00 -0.42 N \nATOM 2301 CA LEU A 158 -0.813 -31.106 -10.992 1.00 -0.05 C \nATOM 2302 C LEU A 158 -2.126 -31.889 -10.986 1.00 0.60 C \nATOM 2303 O LEU A 158 -3.158 -31.375 -11.375 1.00 -0.57 O \nATOM 2304 CB LEU A 158 0.045 -31.502 -12.184 1.00 -0.11 C \nATOM 2305 CG LEU A 158 -0.565 -31.309 -13.564 1.00 0.35 C \nATOM 2306 CD1 LEU A 158 -1.085 -29.889 -13.772 1.00 -0.41 C \nATOM 2307 CD2 LEU A 158 0.459 -31.671 -14.630 1.00 -0.41 C \nATOM 2308 HA LEU A 158 -1.046 -30.034 -11.071 1.00 0.09 H \nATOM 2309 HB2 LEU A 158 0.968 -30.905 -12.142 1.00 0.05 H \nATOM 2310 HB3 LEU A 158 0.292 -32.568 -12.076 1.00 0.05 H \nATOM 2311 HG LEU A 158 -1.419 -31.996 -13.658 1.00 -0.04 H \nATOM 2312 HD21 LEU A 158 0.768 -32.719 -14.501 1.00 0.10 H \nATOM 2313 HD22 LEU A 158 0.012 -31.541 -15.627 1.00 0.10 H \nATOM 2314 HD23 LEU A 158 1.337 -31.015 -14.533 1.00 0.10 H \nATOM 2315 HD11 LEU A 158 -0.257 -29.174 -13.653 1.00 0.10 H \nATOM 2316 HD12 LEU A 158 -1.506 -29.797 -14.784 1.00 0.10 H \nATOM 2317 HD13 LEU A 158 -1.867 -29.672 -13.029 1.00 0.10 H \nATOM 2318 H LEU A 158 0.770 -31.849 -9.764 1.00 0.27 H \nATOM 2319 N ALA A 159 -2.080 -33.135 -10.532 1.00 -0.42 N \nATOM 2320 CA ALA A 159 -3.239 -34.022 -10.606 1.00 0.03 C \nATOM 2321 C ALA A 159 -4.393 -33.455 -9.794 1.00 0.60 C \nATOM 2322 O ALA A 159 -5.565 -33.513 -10.211 1.00 -0.57 O \nATOM 2323 CB ALA A 159 -2.859 -35.395 -10.073 1.00 -0.18 C \nATOM 2324 HA ALA A 159 -3.553 -34.116 -11.656 1.00 0.08 H \nATOM 2325 HB1 ALA A 159 -3.731 -36.064 -10.128 1.00 0.06 H \nATOM 2326 HB2 ALA A 159 -2.040 -35.810 -10.679 1.00 0.06 H \nATOM 2327 HB3 ALA A 159 -2.532 -35.304 -9.027 1.00 0.06 H \nATOM 2328 H ALA A 159 -1.231 -33.476 -10.129 1.00 0.27 H \nATOM 2329 N LYS A 160 -4.055 -32.919 -8.625 1.00 -0.35 N \nATOM 2330 CA LYS A 160 -5.057 -32.283 -7.742 1.00 -0.24 C \nATOM 2331 C LYS A 160 -5.749 -31.087 -8.376 1.00 0.73 C \nATOM 2332 O LYS A 160 -6.968 -30.931 -8.271 1.00 -0.59 O \nATOM 2333 CB LYS A 160 -4.413 -31.848 -6.433 1.00 -0.01 C \nATOM 2334 CG LYS A 160 -5.422 -31.523 -5.344 1.00 0.02 C \nATOM 2335 CD LYS A 160 -4.711 -31.255 -4.032 1.00 -0.05 C \nATOM 2336 CE LYS A 160 -5.690 -30.852 -2.947 1.00 -0.01 C \nATOM 2337 NZ LYS A 160 -4.903 -30.346 -1.799 1.00 -0.39 N \nATOM 2338 HA LYS A 160 -5.826 -33.036 -7.517 1.00 0.14 H \nATOM 2339 HB2 LYS A 160 -3.764 -32.661 -6.076 1.00 0.04 H \nATOM 2340 HB3 LYS A 160 -3.805 -30.951 -6.624 1.00 0.04 H \nATOM 2341 HG2 LYS A 160 -5.995 -30.631 -5.635 1.00 0.01 H \nATOM 2342 HG3 LYS A 160 -6.107 -32.374 -5.218 1.00 0.01 H \nATOM 2343 HD2 LYS A 160 -4.183 -32.167 -3.718 1.00 0.06 H \nATOM 2344 HD3 LYS A 160 -3.984 -30.443 -4.178 1.00 0.06 H \nATOM 2345 HE2 LYS A 160 -6.359 -30.063 -3.320 1.00 0.11 H \nATOM 2346 HE3 LYS A 160 -6.287 -31.723 -2.638 1.00 0.11 H \nATOM 2347 HZ1 LYS A 160 -4.348 -29.557 -2.093 1.00 0.34 H \nATOM 2348 HZ2 LYS A 160 -5.529 -30.060 -1.062 1.00 0.34 H \nATOM 2349 HZ3 LYS A 160 -4.296 -31.076 -1.460 1.00 0.34 H \nATOM 2350 H LYS A 160 -3.098 -32.947 -8.335 1.00 0.27 H \nATOM 2351 N ILE A 161 -4.979 -30.245 -9.056 1.00 -0.42 N \nATOM 2352 CA ILE A 161 -5.566 -29.101 -9.752 1.00 -0.06 C \nATOM 2353 C ILE A 161 -6.503 -29.556 -10.864 1.00 0.60 C \nATOM 2354 O ILE A 161 -7.651 -29.070 -10.991 1.00 -0.57 O \nATOM 2355 CB ILE A 161 -4.485 -28.183 -10.321 1.00 0.13 C \nATOM 2356 CG1 ILE A 161 -3.796 -27.465 -9.161 1.00 -0.04 C \nATOM 2357 CG2 ILE A 161 -5.114 -27.191 -11.300 1.00 -0.32 C \nATOM 2358 CD1 ILE A 161 -2.488 -26.797 -9.492 1.00 -0.07 C \nATOM 2359 HA ILE A 161 -6.154 -28.526 -9.022 1.00 0.09 H \nATOM 2360 HB ILE A 161 -3.741 -28.788 -10.860 1.00 0.02 H \nATOM 2361 HG12 ILE A 161 -4.484 -26.694 -8.784 1.00 0.02 H \nATOM 2362 HG13 ILE A 161 -3.607 -28.205 -8.370 1.00 0.02 H \nATOM 2363 HD11 ILE A 161 -2.649 -26.045 -10.279 1.00 0.02 H \nATOM 2364 HD12 ILE A 161 -2.089 -26.306 -8.592 1.00 0.02 H \nATOM 2365 HD13 ILE A 161 -1.771 -27.551 -9.847 1.00 0.02 H \nATOM 2366 HG21 ILE A 161 -5.875 -26.592 -10.777 1.00 0.09 H \nATOM 2367 HG22 ILE A 161 -4.334 -26.526 -11.699 1.00 0.09 H \nATOM 2368 HG23 ILE A 161 -5.585 -27.741 -12.127 1.00 0.09 H \nATOM 2369 H ILE A 161 -3.991 -30.395 -9.092 1.00 0.27 H \nATOM 2370 N ARG A 162 -6.017 -30.493 -11.673 1.00 -0.35 N \nATOM 2371 CA ARG A 162 -6.825 -31.006 -12.767 1.00 -0.26 C \nATOM 2372 C ARG A 162 -8.126 -31.647 -12.272 1.00 0.73 C \nATOM 2373 O ARG A 162 -9.157 -31.512 -12.910 1.00 -0.59 O \nATOM 2374 CB ARG A 162 -6.011 -31.985 -13.619 1.00 -0.00 C \nATOM 2375 CG ARG A 162 -4.922 -31.293 -14.416 1.00 0.04 C \nATOM 2376 CD ARG A 162 -4.517 -32.169 -15.582 1.00 0.05 C \nATOM 2377 NE ARG A 162 -3.378 -31.634 -16.295 1.00 -0.53 N \nATOM 2378 CZ ARG A 162 -3.428 -30.610 -17.148 1.00 0.81 C \nATOM 2379 NH1 ARG A 162 -4.566 -29.993 -17.411 1.00 -0.86 N \nATOM 2380 NH2 ARG A 162 -2.317 -30.220 -17.744 1.00 -0.86 N \nATOM 2381 HA ARG A 162 -7.100 -30.154 -13.406 1.00 0.16 H \nATOM 2382 HB2 ARG A 162 -5.545 -32.728 -12.955 1.00 0.03 H \nATOM 2383 HB3 ARG A 162 -6.691 -32.494 -14.318 1.00 0.03 H \nATOM 2384 HG2 ARG A 162 -5.299 -30.331 -14.793 1.00 0.03 H \nATOM 2385 HG3 ARG A 162 -4.050 -31.117 -13.769 1.00 0.03 H \nATOM 2386 HD2 ARG A 162 -4.260 -33.169 -15.202 1.00 0.07 H \nATOM 2387 HD3 ARG A 162 -5.365 -32.248 -16.278 1.00 0.07 H \nATOM 2388 HE ARG A 162 -2.462 -32.076 -16.132 1.00 0.35 H \nATOM 2389 HH12 ARG A 162 -4.583 -29.204 -18.073 1.00 0.45 H \nATOM 2390 HH11 ARG A 162 -5.436 -30.301 -16.954 1.00 0.45 H \nATOM 2391 HH22 ARG A 162 -2.337 -29.431 -18.406 1.00 0.45 H \nATOM 2392 HH21 ARG A 162 -1.430 -30.705 -17.547 1.00 0.45 H \nATOM 2393 H ARG A 162 -5.093 -30.846 -11.528 1.00 0.27 H \nATOM 2394 N HIS A 163 -8.069 -32.317 -11.128 1.00 -0.42 N \nATOM 2395 CA HIS A 163 -9.268 -32.915 -10.497 1.00 0.02 C \nATOM 2396 C HIS A 163 -10.258 -31.846 -9.947 1.00 0.60 C \nATOM 2397 O HIS A 163 -11.441 -31.910 -10.198 1.00 -0.57 O \nATOM 2398 CB HIS A 163 -8.866 -33.883 -9.361 1.00 -0.05 C \nATOM 2399 CG HIS A 163 -10.042 -34.431 -8.601 1.00 -0.03 C \nATOM 2400 ND1 HIS A 163 -10.424 -33.960 -7.358 1.00 -0.38 N \nATOM 2401 CD2 HIS A 163 -10.944 -35.383 -8.932 1.00 0.13 C \nATOM 2402 CE1 HIS A 163 -11.507 -34.598 -6.957 1.00 0.21 C \nATOM 2403 NE2 HIS A 163 -11.846 -35.464 -7.894 1.00 -0.57 N \nATOM 2404 HA HIS A 163 -9.795 -33.494 -11.270 1.00 0.09 H \nATOM 2405 HB2 HIS A 163 -8.311 -34.725 -9.800 1.00 0.04 H \nATOM 2406 HB3 HIS A 163 -8.216 -33.343 -8.656 1.00 0.04 H \nATOM 2407 HD2 HIS A 163 -10.955 -35.974 -9.847 1.00 0.11 H \nATOM 2408 HE1 HIS A 163 -12.031 -34.438 -6.016 1.00 0.14 H \nATOM 2409 HD1 HIS A 163 -9.937 -33.224 -6.827 1.00 0.36 H \nATOM 2410 H HIS A 163 -7.184 -32.422 -10.675 1.00 0.27 H \nATOM 2411 N ASN A 164 -9.764 -30.875 -9.189 1.00 -0.42 N \nATOM 2412 CA ASN A 164 -10.621 -29.858 -8.596 1.00 0.01 C \nATOM 2413 C ASN A 164 -11.099 -28.810 -9.604 1.00 0.60 C \nATOM 2414 O ASN A 164 -12.200 -28.288 -9.461 1.00 -0.57 O \nATOM 2415 CB ASN A 164 -9.906 -29.184 -7.418 1.00 -0.20 C \nATOM 2416 CG ASN A 164 -9.846 -30.086 -6.204 1.00 0.71 C \nATOM 2417 OD1 ASN A 164 -10.870 -30.621 -5.786 1.00 -0.59 O \nATOM 2418 ND2 ASN A 164 -8.649 -30.280 -5.647 1.00 -0.92 N \nATOM 2419 HA ASN A 164 -11.514 -30.367 -8.204 1.00 0.10 H \nATOM 2420 HB2 ASN A 164 -8.880 -28.929 -7.723 1.00 0.08 H \nATOM 2421 HB3 ASN A 164 -10.448 -28.265 -7.152 1.00 0.08 H \nATOM 2422 HD22 ASN A 164 -8.561 -30.868 -4.843 1.00 0.42 H \nATOM 2423 HD21 ASN A 164 -7.840 -29.837 -6.033 1.00 0.42 H \nATOM 2424 H ASN A 164 -8.779 -30.841 -9.021 1.00 0.27 H \nATOM 2425 N PHE A 165 -10.274 -28.527 -10.611 1.00 -0.42 N \nATOM 2426 CA PHE A 165 -10.519 -27.447 -11.558 1.00 -0.00 C \nATOM 2427 C PHE A 165 -10.271 -27.892 -12.996 1.00 0.60 C \nATOM 2428 O PHE A 165 -9.351 -27.386 -13.674 1.00 -0.57 O \nATOM 2429 CB PHE A 165 -9.664 -26.228 -11.231 1.00 -0.03 C \nATOM 2430 CG PHE A 165 -9.843 -25.724 -9.832 1.00 0.01 C \nATOM 2431 CD1 PHE A 165 -8.946 -26.096 -8.838 1.00 -0.13 C \nATOM 2432 CD2 PHE A 165 -10.928 -24.930 -9.498 1.00 -0.13 C \nATOM 2433 CE1 PHE A 165 -9.091 -25.631 -7.543 1.00 -0.17 C \nATOM 2434 CE2 PHE A 165 -11.086 -24.466 -8.193 1.00 -0.17 C \nATOM 2435 CZ PHE A 165 -10.158 -24.812 -7.222 1.00 -0.11 C \nATOM 2436 HA PHE A 165 -11.576 -27.156 -11.470 1.00 0.10 H \nATOM 2437 HB2 PHE A 165 -8.607 -26.498 -11.370 1.00 0.03 H \nATOM 2438 HB3 PHE A 165 -9.931 -25.420 -11.928 1.00 0.03 H \nATOM 2439 HD2 PHE A 165 -11.658 -24.668 -10.255 1.00 0.13 H \nATOM 2440 HE2 PHE A 165 -11.931 -23.837 -7.938 1.00 0.14 H \nATOM 2441 HZ PHE A 165 -10.269 -24.440 -6.210 1.00 0.13 H \nATOM 2442 HE1 PHE A 165 -8.370 -25.908 -6.782 1.00 0.14 H \nATOM 2443 HD1 PHE A 165 -8.123 -26.758 -9.080 1.00 0.13 H \nATOM 2444 H PHE A 165 -9.449 -29.081 -10.722 1.00 0.27 H \nATOM 2445 N PRO A 166 -11.102 -28.833 -13.468 1.00 -0.25 N \nATOM 2446 CA PRO A 166 -10.920 -29.419 -14.794 1.00 -0.03 C \nATOM 2447 C PRO A 166 -10.955 -28.415 -15.944 1.00 0.59 C \nATOM 2448 O PRO A 166 -10.326 -28.687 -16.960 1.00 -0.57 O \nATOM 2449 CB PRO A 166 -12.087 -30.404 -14.911 1.00 -0.01 C \nATOM 2450 CG PRO A 166 -13.087 -29.974 -13.888 1.00 0.02 C \nATOM 2451 CD PRO A 166 -12.290 -29.370 -12.784 1.00 0.02 C \nATOM 2452 HA PRO A 166 -9.959 -29.954 -14.832 1.00 0.06 H \nATOM 2453 HD3 PRO A 166 -12.006 -30.131 -12.043 1.00 0.04 H \nATOM 2454 HD2 PRO A 166 -12.854 -28.567 -12.287 1.00 0.04 H \nATOM 2455 HG3 PRO A 166 -13.658 -30.839 -13.521 1.00 0.02 H \nATOM 2456 HG2 PRO A 166 -13.778 -29.232 -14.314 1.00 0.02 H \nATOM 2457 HB2 PRO A 166 -12.526 -30.359 -15.918 1.00 0.03 H \nATOM 2458 HB3 PRO A 166 -11.745 -31.429 -14.705 1.00 0.03 H \nATOM 2459 N ASP A 167 -11.651 -27.282 -15.803 1.00 -0.52 N \nATOM 2460 CA ASP A 167 -11.691 -26.250 -16.865 1.00 0.04 C \nATOM 2461 C ASP A 167 -10.715 -25.069 -16.648 1.00 0.54 C \nATOM 2462 O ASP A 167 -10.757 -24.087 -17.401 1.00 -0.58 O \nATOM 2463 CB ASP A 167 -13.113 -25.704 -17.053 1.00 -0.03 C \nATOM 2464 CG ASP A 167 -14.136 -26.806 -17.359 1.00 0.80 C \nATOM 2465 OD1 ASP A 167 -13.762 -27.822 -17.995 1.00 -0.80 O \nATOM 2466 OD2 ASP A 167 -15.310 -26.668 -16.956 1.00 -0.80 O \nATOM 2467 HA ASP A 167 -11.395 -26.746 -17.801 1.00 0.09 H \nATOM 2468 HB2 ASP A 167 -13.417 -25.189 -16.130 1.00 -0.01 H \nATOM 2469 HB3 ASP A 167 -13.107 -24.988 -17.888 1.00 -0.01 H \nATOM 2470 H ASP A 167 -12.159 -27.127 -14.956 1.00 0.29 H \nATOM 2471 N ALA A 168 -9.836 -25.151 -15.632 1.00 -0.42 N \nATOM 2472 CA ALA A 168 -8.800 -24.121 -15.511 1.00 0.03 C \nATOM 2473 C ALA A 168 -7.876 -24.208 -16.726 1.00 0.60 C \nATOM 2474 O ALA A 168 -7.496 -25.299 -17.169 1.00 -0.57 O \nATOM 2475 CB ALA A 168 -8.022 -24.232 -14.210 1.00 -0.18 C \nATOM 2476 HA ALA A 168 -9.292 -23.137 -15.521 1.00 0.08 H \nATOM 2477 HB1 ALA A 168 -7.260 -23.439 -14.169 1.00 0.06 H \nATOM 2478 HB2 ALA A 168 -8.711 -24.122 -13.360 1.00 0.06 H \nATOM 2479 HB3 ALA A 168 -7.531 -25.215 -14.159 1.00 0.06 H \nATOM 2480 H ALA A 168 -9.889 -25.900 -14.972 1.00 0.27 H \nATOM 2481 N VAL A 169 -7.558 -23.049 -17.288 1.00 -0.42 N \nATOM 2482 CA VAL A 169 -6.724 -22.967 -18.479 1.00 -0.09 C \nATOM 2483 C VAL A 169 -5.237 -22.718 -18.149 1.00 0.60 C \nATOM 2484 O VAL A 169 -4.376 -23.036 -18.955 1.00 -0.57 O \nATOM 2485 CB VAL A 169 -7.244 -21.910 -19.476 1.00 0.30 C \nATOM 2486 CG1 VAL A 169 -8.744 -22.096 -19.742 1.00 -0.32 C \nATOM 2487 CG2 VAL A 169 -7.012 -20.509 -18.975 1.00 -0.32 C \nATOM 2488 HA VAL A 169 -6.785 -23.945 -18.979 1.00 0.10 H \nATOM 2489 HB VAL A 169 -6.700 -22.037 -20.423 1.00 -0.03 H \nATOM 2490 HG11 VAL A 169 -9.298 -22.004 -18.796 1.00 0.08 H \nATOM 2491 HG12 VAL A 169 -9.090 -21.325 -20.446 1.00 0.08 H \nATOM 2492 HG13 VAL A 169 -8.919 -23.092 -20.174 1.00 0.08 H \nATOM 2493 HG21 VAL A 169 -5.935 -20.349 -18.819 1.00 0.08 H \nATOM 2494 HG22 VAL A 169 -7.386 -19.788 -19.716 1.00 0.08 H \nATOM 2495 HG23 VAL A 169 -7.545 -20.367 -18.024 1.00 0.08 H \nATOM 2496 H VAL A 169 -7.903 -22.203 -16.880 1.00 0.27 H \nATOM 2497 N ALA A 170 -4.945 -22.171 -16.965 1.00 -0.42 N \nATOM 2498 CA ALA A 170 -3.574 -21.851 -16.549 1.00 0.03 C \nATOM 2499 C ALA A 170 -3.450 -21.738 -15.031 1.00 0.60 C \nATOM 2500 O ALA A 170 -4.465 -21.493 -14.327 1.00 -0.57 O \nATOM 2501 CB ALA A 170 -3.141 -20.538 -17.195 1.00 -0.18 C \nATOM 2502 HA ALA A 170 -2.908 -22.656 -16.894 1.00 0.08 H \nATOM 2503 HB1 ALA A 170 -2.114 -20.297 -16.884 1.00 0.06 H \nATOM 2504 HB2 ALA A 170 -3.178 -20.638 -18.290 1.00 0.06 H \nATOM 2505 HB3 ALA A 170 -3.819 -19.732 -16.877 1.00 0.06 H \nATOM 2506 H ALA A 170 -5.694 -21.971 -16.334 1.00 0.27 H \nATOM 2507 N VAL A 171 -2.225 -21.915 -14.535 1.00 -0.42 N \nATOM 2508 CA VAL A 171 -1.910 -21.790 -13.085 1.00 -0.09 C \nATOM 2509 C VAL A 171 -0.821 -20.765 -12.882 1.00 0.60 C \nATOM 2510 O VAL A 171 0.081 -20.636 -13.702 1.00 -0.57 O \nATOM 2511 CB VAL A 171 -1.518 -23.139 -12.409 1.00 0.30 C \nATOM 2512 CG1 VAL A 171 -0.302 -23.751 -13.068 1.00 -0.32 C \nATOM 2513 CG2 VAL A 171 -1.290 -22.966 -10.907 1.00 -0.32 C \nATOM 2514 HA VAL A 171 -2.818 -21.425 -12.583 1.00 0.10 H \nATOM 2515 HB VAL A 171 -2.359 -23.836 -12.543 1.00 -0.03 H \nATOM 2516 HG11 VAL A 171 0.545 -23.054 -12.994 1.00 0.08 H \nATOM 2517 HG12 VAL A 171 -0.046 -24.694 -12.562 1.00 0.08 H \nATOM 2518 HG13 VAL A 171 -0.521 -23.951 -14.127 1.00 0.08 H \nATOM 2519 HG21 VAL A 171 -2.209 -22.586 -10.438 1.00 0.08 H \nATOM 2520 HG22 VAL A 171 -1.026 -23.937 -10.462 1.00 0.08 H \nATOM 2521 HG23 VAL A 171 -0.471 -22.251 -10.740 1.00 0.08 H \nATOM 2522 H VAL A 171 -1.483 -22.142 -15.166 1.00 0.27 H \nATOM 2523 N GLU A 172 -0.929 -19.996 -11.814 1.00 -0.52 N \nATOM 2524 CA GLU A 172 0.206 -19.201 -11.381 1.00 0.04 C \nATOM 2525 C GLU A 172 0.184 -18.953 -9.848 1.00 0.54 C \nATOM 2526 O GLU A 172 -0.424 -19.744 -9.132 1.00 -0.58 O \nATOM 2527 CB GLU A 172 0.372 -17.957 -12.267 1.00 0.06 C \nATOM 2528 CG GLU A 172 -0.914 -17.281 -12.630 1.00 0.01 C \nATOM 2529 CD GLU A 172 -1.493 -16.715 -11.391 1.00 0.81 C \nATOM 2530 OE1 GLU A 172 -2.479 -17.288 -10.854 1.00 -0.82 O \nATOM 2531 OE2 GLU A 172 -0.876 -15.747 -10.895 1.00 -0.82 O \nATOM 2532 HA GLU A 172 1.101 -19.813 -11.564 1.00 0.11 H \nATOM 2533 HB2 GLU A 172 1.002 -17.233 -11.729 1.00 -0.02 H \nATOM 2534 HB3 GLU A 172 0.875 -18.261 -13.197 1.00 -0.02 H \nATOM 2535 HG2 GLU A 172 -0.722 -16.476 -13.355 1.00 -0.04 H \nATOM 2536 HG3 GLU A 172 -1.610 -18.011 -13.069 1.00 -0.04 H \nATOM 2537 H GLU A 172 -1.789 -19.961 -11.305 1.00 0.29 H \nATOM 2538 N MET A 173 0.886 -17.934 -9.349 1.00 -0.42 N \nATOM 2539 CA MET A 173 1.015 -17.748 -7.896 1.00 -0.02 C \nATOM 2540 C MET A 173 0.590 -16.383 -7.327 1.00 0.60 C \nATOM 2541 O MET A 173 0.842 -16.108 -6.144 1.00 -0.57 O \nATOM 2542 CB MET A 173 2.459 -18.097 -7.425 1.00 0.03 C \nATOM 2543 CG MET A 173 2.936 -19.485 -7.829 1.00 0.00 C \nATOM 2544 SD MET A 173 4.702 -19.883 -7.598 1.00 -0.27 S \nATOM 2545 CE MET A 173 4.786 -19.653 -5.816 1.00 -0.05 C \nATOM 2546 HA MET A 173 0.339 -18.486 -7.440 1.00 0.09 H \nATOM 2547 HB2 MET A 173 3.149 -17.357 -7.856 1.00 0.02 H \nATOM 2548 HB3 MET A 173 2.488 -18.030 -6.327 1.00 0.02 H \nATOM 2549 HG2 MET A 173 2.357 -20.214 -7.243 1.00 0.04 H \nATOM 2550 HG3 MET A 173 2.709 -19.611 -8.898 1.00 0.04 H \nATOM 2551 HE1 MET A 173 4.081 -20.340 -5.324 1.00 0.07 H \nATOM 2552 HE2 MET A 173 5.808 -19.864 -5.467 1.00 0.07 H \nATOM 2553 HE3 MET A 173 4.520 -18.615 -5.567 1.00 0.07 H \nATOM 2554 H MET A 173 1.330 -17.289 -9.971 1.00 0.27 H \nATOM 2555 N GLU A 174 -0.065 -15.532 -8.111 1.00 -0.52 N \nATOM 2556 CA GLU A 174 -0.372 -14.169 -7.661 1.00 0.04 C \nATOM 2557 C GLU A 174 -1.749 -13.629 -8.036 1.00 0.54 C \nATOM 2558 O GLU A 174 -2.308 -12.758 -7.313 1.00 -0.58 O \nATOM 2559 CB GLU A 174 0.664 -13.160 -8.222 1.00 0.06 C \nATOM 2560 CG GLU A 174 2.095 -13.377 -7.728 1.00 0.01 C \nATOM 2561 CD GLU A 174 2.901 -14.353 -8.600 1.00 0.81 C \nATOM 2562 OE1 GLU A 174 3.906 -14.944 -8.089 1.00 -0.82 O \nATOM 2563 OE2 GLU A 174 2.510 -14.558 -9.781 1.00 -0.82 O \nATOM 2564 HA GLU A 174 -0.303 -14.173 -6.563 1.00 0.11 H \nATOM 2565 HB2 GLU A 174 0.663 -13.242 -9.319 1.00 -0.02 H \nATOM 2566 HB3 GLU A 174 0.350 -12.147 -7.930 1.00 -0.02 H \nATOM 2567 HG2 GLU A 174 2.613 -12.406 -7.722 1.00 -0.04 H \nATOM 2568 HG3 GLU A 174 2.053 -13.777 -6.704 1.00 -0.04 H \nATOM 2569 H GLU A 174 -0.353 -15.825 -9.022 1.00 0.29 H \nATOM 2570 N ALA A 175 -2.260 -14.095 -9.177 1.00 -0.42 N \nATOM 2571 CA ALA A 175 -3.392 -13.435 -9.847 1.00 0.03 C \nATOM 2572 C ALA A 175 -4.623 -13.389 -8.945 1.00 0.60 C \nATOM 2573 O ALA A 175 -5.305 -12.376 -8.848 1.00 -0.57 O \nATOM 2574 CB ALA A 175 -3.721 -14.172 -11.135 1.00 -0.18 C \nATOM 2575 HA ALA A 175 -3.101 -12.403 -10.092 1.00 0.08 H \nATOM 2576 HB1 ALA A 175 -4.567 -13.678 -11.635 1.00 0.06 H \nATOM 2577 HB2 ALA A 175 -2.844 -14.159 -11.799 1.00 0.06 H \nATOM 2578 HB3 ALA A 175 -3.990 -15.213 -10.903 1.00 0.06 H \nATOM 2579 H ALA A 175 -1.863 -14.915 -9.588 1.00 0.27 H \nATOM 2580 N THR A 176 -4.924 -14.485 -8.277 1.00 -0.42 N \nATOM 2581 CA THR A 176 -6.158 -14.528 -7.454 1.00 -0.04 C \nATOM 2582 C THR A 176 -6.021 -13.604 -6.249 1.00 0.60 C \nATOM 2583 O THR A 176 -6.989 -12.930 -5.856 1.00 -0.57 O \nATOM 2584 CB THR A 176 -6.519 -15.972 -7.053 1.00 0.37 C \nATOM 2585 OG1 THR A 176 -6.456 -16.793 -8.218 1.00 -0.68 O \nATOM 2586 CG2 THR A 176 -7.909 -16.050 -6.474 1.00 -0.24 C \nATOM 2587 HA THR A 176 -6.984 -14.145 -8.071 1.00 0.10 H \nATOM 2588 HB THR A 176 -5.796 -16.332 -6.306 1.00 0.00 H \nATOM 2589 HG1 THR A 176 -6.676 -17.688 -7.987 1.00 0.41 H \nATOM 2590 HG23 THR A 176 -7.849 -16.056 -5.376 1.00 0.06 H \nATOM 2591 HG21 THR A 176 -8.493 -15.179 -6.805 1.00 0.06 H \nATOM 2592 HG22 THR A 176 -8.399 -16.972 -6.819 1.00 0.06 H \nATOM 2593 H THR A 176 -4.324 -15.283 -8.325 1.00 0.27 H \nATOM 2594 N ALA A 177 -4.801 -13.514 -5.733 1.00 -0.42 N \nATOM 2595 CA ALA A 177 -4.469 -12.584 -4.626 1.00 0.03 C \nATOM 2596 C ALA A 177 -4.754 -11.160 -5.018 1.00 0.60 C \nATOM 2597 O ALA A 177 -5.413 -10.412 -4.288 1.00 -0.57 O \nATOM 2598 CB ALA A 177 -2.994 -12.723 -4.234 1.00 -0.18 C \nATOM 2599 HA ALA A 177 -5.092 -12.841 -3.756 1.00 0.08 H \nATOM 2600 HB1 ALA A 177 -2.766 -12.027 -3.413 1.00 0.06 H \nATOM 2601 HB2 ALA A 177 -2.797 -13.754 -3.906 1.00 0.06 H \nATOM 2602 HB3 ALA A 177 -2.360 -12.487 -5.102 1.00 0.06 H \nATOM 2603 H ALA A 177 -4.078 -14.096 -6.105 1.00 0.27 H \nATOM 2604 N ILE A 178 -4.260 -10.792 -6.210 1.00 -0.42 N \nATOM 2605 CA ILE A 178 -4.507 -9.457 -6.733 1.00 -0.06 C \nATOM 2606 C ILE A 178 -6.015 -9.270 -6.951 1.00 0.60 C \nATOM 2607 O ILE A 178 -6.565 -8.266 -6.532 1.00 -0.57 O \nATOM 2608 CB ILE A 178 -3.709 -9.141 -7.974 1.00 0.13 C \nATOM 2609 CG1 ILE A 178 -2.179 -9.260 -7.693 1.00 -0.04 C \nATOM 2610 CG2 ILE A 178 -4.040 -7.736 -8.427 1.00 -0.32 C \nATOM 2611 CD1 ILE A 178 -1.311 -9.448 -8.930 1.00 -0.07 C \nATOM 2612 HA ILE A 178 -4.191 -8.739 -5.962 1.00 0.09 H \nATOM 2613 HB ILE A 178 -3.982 -9.852 -8.768 1.00 0.02 H \nATOM 2614 HG12 ILE A 178 -1.853 -8.341 -7.184 1.00 0.02 H \nATOM 2615 HG13 ILE A 178 -2.020 -10.123 -7.030 1.00 0.02 H \nATOM 2616 HD11 ILE A 178 -1.450 -8.593 -9.609 1.00 0.02 H \nATOM 2617 HD12 ILE A 178 -0.254 -9.511 -8.630 1.00 0.02 H \nATOM 2618 HD13 ILE A 178 -1.602 -10.376 -9.444 1.00 0.02 H \nATOM 2619 HG21 ILE A 178 -3.793 -7.024 -7.625 1.00 0.09 H \nATOM 2620 HG22 ILE A 178 -3.455 -7.493 -9.326 1.00 0.09 H \nATOM 2621 HG23 ILE A 178 -5.113 -7.669 -8.659 1.00 0.09 H \nATOM 2622 H ILE A 178 -3.717 -11.441 -6.743 1.00 0.27 H \nATOM 2623 N ALA A 179 -6.687 -10.264 -7.532 1.00 -0.42 N \nATOM 2624 CA ALA A 179 -8.129 -10.153 -7.713 1.00 0.03 C \nATOM 2625 C ALA A 179 -8.867 -9.913 -6.406 1.00 0.60 C \nATOM 2626 O ALA A 179 -9.827 -9.179 -6.364 1.00 -0.57 O \nATOM 2627 CB ALA A 179 -8.674 -11.393 -8.373 1.00 -0.18 C \nATOM 2628 HA ALA A 179 -8.320 -9.294 -8.374 1.00 0.08 H \nATOM 2629 HB1 ALA A 179 -9.762 -11.292 -8.502 1.00 0.06 H \nATOM 2630 HB2 ALA A 179 -8.199 -11.524 -9.357 1.00 0.06 H \nATOM 2631 HB3 ALA A 179 -8.459 -12.268 -7.743 1.00 0.06 H \nATOM 2632 H ALA A 179 -6.204 -11.083 -7.842 1.00 0.27 H \nATOM 2633 N HIS A 180 -8.397 -10.579 -5.351 1.00 -0.42 N \nATOM 2634 CA HIS A 180 -8.978 -10.530 -4.036 1.00 0.02 C \nATOM 2635 C HIS A 180 -8.890 -9.130 -3.466 1.00 0.60 C \nATOM 2636 O HIS A 180 -9.864 -8.605 -2.949 1.00 -0.57 O \nATOM 2637 CB HIS A 180 -8.213 -11.524 -3.142 1.00 -0.05 C \nATOM 2638 CG HIS A 180 -8.789 -11.707 -1.780 1.00 -0.03 C \nATOM 2639 ND1 HIS A 180 -8.616 -12.878 -1.071 1.00 -0.38 N \nATOM 2640 CD2 HIS A 180 -9.488 -10.873 -0.968 1.00 0.13 C \nATOM 2641 CE1 HIS A 180 -9.181 -12.760 0.116 1.00 0.21 C \nATOM 2642 NE2 HIS A 180 -9.721 -11.556 0.207 1.00 -0.57 N \nATOM 2643 HA HIS A 180 -10.036 -10.827 -4.092 1.00 0.09 H \nATOM 2644 HB2 HIS A 180 -8.206 -12.502 -3.645 1.00 0.04 H \nATOM 2645 HB3 HIS A 180 -7.181 -11.161 -3.031 1.00 0.04 H \nATOM 2646 HD2 HIS A 180 -9.805 -9.857 -1.201 1.00 0.11 H \nATOM 2647 HE1 HIS A 180 -9.199 -13.525 0.890 1.00 0.14 H \nATOM 2648 HD1 HIS A 180 -8.123 -13.714 -1.415 1.00 0.36 H \nATOM 2649 H HIS A 180 -7.587 -11.150 -5.483 1.00 0.27 H \nATOM 2650 N VAL A 181 -7.720 -8.527 -3.577 1.00 -0.42 N \nATOM 2651 CA VAL A 181 -7.497 -7.183 -3.083 1.00 -0.09 C \nATOM 2652 C VAL A 181 -8.364 -6.202 -3.888 1.00 0.60 C \nATOM 2653 O VAL A 181 -9.032 -5.338 -3.317 1.00 -0.57 O \nATOM 2654 CB VAL A 181 -5.990 -6.796 -3.161 1.00 0.30 C \nATOM 2655 CG1 VAL A 181 -5.784 -5.304 -2.855 1.00 -0.32 C \nATOM 2656 CG2 VAL A 181 -5.169 -7.662 -2.210 1.00 -0.32 C \nATOM 2657 HA VAL A 181 -7.807 -7.141 -2.029 1.00 0.10 H \nATOM 2658 HB VAL A 181 -5.640 -6.985 -4.187 1.00 -0.03 H \nATOM 2659 HG11 VAL A 181 -6.161 -5.081 -1.846 1.00 0.08 H \nATOM 2660 HG12 VAL A 181 -4.712 -5.064 -2.908 1.00 0.08 H \nATOM 2661 HG13 VAL A 181 -6.332 -4.699 -3.593 1.00 0.08 H \nATOM 2662 HG21 VAL A 181 -5.290 -8.721 -2.481 1.00 0.08 H \nATOM 2663 HG22 VAL A 181 -4.107 -7.384 -2.285 1.00 0.08 H \nATOM 2664 HG23 VAL A 181 -5.517 -7.506 -1.178 1.00 0.08 H \nATOM 2665 H VAL A 181 -6.964 -9.013 -4.016 1.00 0.27 H \nATOM 2666 N CYS A 182 -8.415 -6.387 -5.198 1.00 -0.42 N \nATOM 2667 CA CYS A 182 -9.221 -5.512 -6.071 1.00 0.02 C \nATOM 2668 C CYS A 182 -10.705 -5.640 -5.830 1.00 0.60 C \nATOM 2669 O CYS A 182 -11.465 -4.685 -6.016 1.00 -0.57 O \nATOM 2670 CB CYS A 182 -8.958 -5.821 -7.533 1.00 -0.12 C \nATOM 2671 SG CYS A 182 -7.386 -5.187 -8.111 1.00 -0.31 S \nATOM 2672 HA CYS A 182 -8.926 -4.472 -5.869 1.00 0.11 H \nATOM 2673 HB2 CYS A 182 -8.966 -6.913 -7.667 1.00 0.11 H \nATOM 2674 HB3 CYS A 182 -9.760 -5.371 -8.136 1.00 0.11 H \nATOM 2675 HG CYS A 182 -7.266 -5.421 -9.084 1.00 0.19 H \nATOM 2676 H CYS A 182 -7.895 -7.138 -5.606 1.00 0.27 H \nATOM 2677 N HIS A 183 -11.130 -6.837 -5.456 1.00 -0.42 N \nATOM 2678 CA HIS A 183 -12.526 -7.086 -5.148 1.00 0.02 C \nATOM 2679 C HIS A 183 -12.931 -6.249 -3.925 1.00 0.60 C \nATOM 2680 O HIS A 183 -14.021 -5.683 -3.870 1.00 -0.57 O \nATOM 2681 CB HIS A 183 -12.709 -8.560 -4.867 1.00 -0.05 C \nATOM 2682 CG HIS A 183 -14.047 -8.904 -4.306 1.00 -0.03 C \nATOM 2683 ND1 HIS A 183 -15.146 -9.131 -5.103 1.00 -0.38 N \nATOM 2684 CD2 HIS A 183 -14.466 -9.060 -3.029 1.00 0.13 C \nATOM 2685 CE1 HIS A 183 -16.183 -9.429 -4.345 1.00 0.21 C \nATOM 2686 NE2 HIS A 183 -15.801 -9.383 -3.082 1.00 -0.57 N \nATOM 2687 HA HIS A 183 -13.150 -6.799 -6.007 1.00 0.09 H \nATOM 2688 HB2 HIS A 183 -12.576 -9.112 -5.809 1.00 0.04 H \nATOM 2689 HB3 HIS A 183 -11.940 -8.874 -4.146 1.00 0.04 H \nATOM 2690 HD2 HIS A 183 -13.861 -8.951 -2.130 1.00 0.11 H \nATOM 2691 HE1 HIS A 183 -17.184 -9.672 -4.700 1.00 0.14 H \nATOM 2692 HD1 HIS A 183 -15.157 -9.077 -6.132 1.00 0.36 H \nATOM 2693 H HIS A 183 -10.473 -7.588 -5.384 1.00 0.27 H \nATOM 2694 N ASN A 184 -12.035 -6.219 -2.947 1.00 -0.42 N \nATOM 2695 CA ASN A 184 -12.227 -5.485 -1.715 1.00 0.01 C \nATOM 2696 C ASN A 184 -12.305 -3.975 -1.880 1.00 0.60 C \nATOM 2697 O ASN A 184 -13.037 -3.329 -1.131 1.00 -0.57 O \nATOM 2698 CB ASN A 184 -11.142 -5.858 -0.708 1.00 -0.20 C \nATOM 2699 CG ASN A 184 -11.467 -7.146 0.041 1.00 0.71 C \nATOM 2700 OD1 ASN A 184 -12.095 -8.074 -0.500 1.00 -0.59 O \nATOM 2701 ND2 ASN A 184 -11.033 -7.214 1.295 1.00 -0.92 N \nATOM 2702 HA ASN A 184 -13.193 -5.808 -1.299 1.00 0.10 H \nATOM 2703 HB2 ASN A 184 -10.191 -5.991 -1.245 1.00 0.08 H \nATOM 2704 HB3 ASN A 184 -11.040 -5.041 0.021 1.00 0.08 H \nATOM 2705 HD22 ASN A 184 -11.212 -8.031 1.843 1.00 0.42 H \nATOM 2706 HD21 ASN A 184 -10.527 -6.448 1.691 1.00 0.42 H \nATOM 2707 H ASN A 184 -11.184 -6.730 -3.067 1.00 0.27 H \nATOM 2708 N PHE A 185 -11.602 -3.435 -2.879 1.00 -0.42 N \nATOM 2709 CA PHE A 185 -11.629 -2.020 -3.198 1.00 -0.00 C \nATOM 2710 C PHE A 185 -12.434 -1.646 -4.436 1.00 0.60 C \nATOM 2711 O PHE A 185 -12.349 -0.520 -4.889 1.00 -0.57 O \nATOM 2712 CB PHE A 185 -10.202 -1.544 -3.386 1.00 -0.03 C \nATOM 2713 CG PHE A 185 -9.436 -1.459 -2.122 1.00 0.01 C \nATOM 2714 CD1 PHE A 185 -9.577 -0.341 -1.295 1.00 -0.13 C \nATOM 2715 CD2 PHE A 185 -8.573 -2.469 -1.743 1.00 -0.13 C \nATOM 2716 CE1 PHE A 185 -8.866 -0.243 -0.115 1.00 -0.17 C \nATOM 2717 CE2 PHE A 185 -7.846 -2.366 -0.574 1.00 -0.17 C \nATOM 2718 CZ PHE A 185 -7.994 -1.257 0.245 1.00 -0.11 C \nATOM 2719 HA PHE A 185 -12.073 -1.493 -2.341 1.00 0.10 H \nATOM 2720 HB2 PHE A 185 -9.687 -2.245 -4.059 1.00 0.03 H \nATOM 2721 HB3 PHE A 185 -10.226 -0.545 -3.846 1.00 0.03 H \nATOM 2722 HD2 PHE A 185 -8.466 -3.348 -2.368 1.00 0.13 H \nATOM 2723 HE2 PHE A 185 -7.157 -3.155 -0.295 1.00 0.14 H \nATOM 2724 HZ PHE A 185 -7.428 -1.184 1.166 1.00 0.13 H \nATOM 2725 HE1 PHE A 185 -8.990 0.623 0.526 1.00 0.14 H \nATOM 2726 HD1 PHE A 185 -10.251 0.457 -1.583 1.00 0.13 H \nATOM 2727 H PHE A 185 -11.028 -4.036 -3.435 1.00 0.27 H \nATOM 2728 N ASN A 186 -13.210 -2.588 -4.970 1.00 -0.42 N \nATOM 2729 CA ASN A 186 -14.002 -2.377 -6.180 1.00 0.01 C \nATOM 2730 C ASN A 186 -13.187 -1.788 -7.343 1.00 0.60 C \nATOM 2731 O ASN A 186 -13.595 -0.805 -7.998 1.00 -0.57 O \nATOM 2732 CB ASN A 186 -15.224 -1.512 -5.858 1.00 -0.20 C \nATOM 2733 CG ASN A 186 -16.029 -2.056 -4.694 1.00 0.71 C \nATOM 2734 OD1 ASN A 186 -16.507 -3.179 -4.738 1.00 -0.59 O \nATOM 2735 ND2 ASN A 186 -16.176 -1.260 -3.643 1.00 -0.92 N \nATOM 2736 HA ASN A 186 -14.367 -3.361 -6.509 1.00 0.10 H \nATOM 2737 HB2 ASN A 186 -14.882 -0.497 -5.607 1.00 0.08 H \nATOM 2738 HB3 ASN A 186 -15.871 -1.471 -6.746 1.00 0.08 H \nATOM 2739 HD22 ASN A 186 -16.698 -1.571 -2.849 1.00 0.42 H \nATOM 2740 HD21 ASN A 186 -15.765 -0.349 -3.645 1.00 0.42 H \nATOM 2741 H ASN A 186 -13.253 -3.481 -4.522 1.00 0.27 H \nATOM 2742 N VAL A 187 -12.035 -2.402 -7.620 1.00 -0.42 N \nATOM 2743 CA VAL A 187 -11.156 -1.958 -8.692 1.00 -0.09 C \nATOM 2744 C VAL A 187 -11.192 -2.993 -9.828 1.00 0.60 C \nATOM 2745 O VAL A 187 -10.966 -4.185 -9.587 1.00 -0.57 O \nATOM 2746 CB VAL A 187 -9.713 -1.779 -8.196 1.00 0.30 C \nATOM 2747 CG1 VAL A 187 -8.806 -1.344 -9.344 1.00 -0.32 C \nATOM 2748 CG2 VAL A 187 -9.669 -0.754 -7.053 1.00 -0.32 C \nATOM 2749 HA VAL A 187 -11.520 -0.992 -9.072 1.00 0.10 H \nATOM 2750 HB VAL A 187 -9.352 -2.745 -7.813 1.00 -0.03 H \nATOM 2751 HG11 VAL A 187 -9.171 -0.393 -9.760 1.00 0.08 H \nATOM 2752 HG12 VAL A 187 -7.780 -1.211 -8.970 1.00 0.08 H \nATOM 2753 HG13 VAL A 187 -8.813 -2.115 -10.129 1.00 0.08 H \nATOM 2754 HG21 VAL A 187 -10.303 -1.102 -6.224 1.00 0.08 H \nATOM 2755 HG22 VAL A 187 -8.633 -0.642 -6.700 1.00 0.08 H \nATOM 2756 HG23 VAL A 187 -10.039 0.216 -7.416 1.00 0.08 H \nATOM 2757 H VAL A 187 -11.766 -3.194 -7.072 1.00 0.27 H \nATOM 2758 N PRO A 188 -11.455 -2.543 -11.072 1.00 -0.25 N \nATOM 2759 CA PRO A 188 -11.551 -3.513 -12.161 1.00 -0.03 C \nATOM 2760 C PRO A 188 -10.199 -4.155 -12.449 1.00 0.59 C \nATOM 2761 O PRO A 188 -9.158 -3.494 -12.389 1.00 -0.57 O \nATOM 2762 CB PRO A 188 -12.061 -2.676 -13.332 1.00 -0.01 C \nATOM 2763 CG PRO A 188 -12.844 -1.581 -12.668 1.00 0.02 C \nATOM 2764 CD PRO A 188 -12.053 -1.252 -11.439 1.00 0.02 C \nATOM 2765 HA PRO A 188 -12.274 -4.304 -11.913 1.00 0.06 H \nATOM 2766 HD3 PRO A 188 -12.706 -0.877 -10.637 1.00 0.04 H \nATOM 2767 HD2 PRO A 188 -11.276 -0.505 -11.658 1.00 0.04 H \nATOM 2768 HG3 PRO A 188 -13.852 -1.930 -12.400 1.00 0.02 H \nATOM 2769 HG2 PRO A 188 -12.923 -0.704 -13.327 1.00 0.02 H \nATOM 2770 HB2 PRO A 188 -11.224 -2.263 -13.914 1.00 0.03 H \nATOM 2771 HB3 PRO A 188 -12.706 -3.275 -13.992 1.00 0.03 H \nATOM 2772 N PHE A 189 -10.231 -5.446 -12.708 1.00 -0.42 N \nATOM 2773 CA PHE A 189 -9.033 -6.265 -12.751 1.00 -0.00 C \nATOM 2774 C PHE A 189 -9.079 -7.213 -13.916 1.00 0.60 C \nATOM 2775 O PHE A 189 -10.153 -7.756 -14.242 1.00 -0.57 O \nATOM 2776 CB PHE A 189 -8.958 -7.051 -11.440 1.00 -0.03 C \nATOM 2777 CG PHE A 189 -7.815 -8.019 -11.377 1.00 0.01 C \nATOM 2778 CD1 PHE A 189 -6.496 -7.560 -11.277 1.00 -0.13 C \nATOM 2779 CD2 PHE A 189 -8.049 -9.389 -11.426 1.00 -0.13 C \nATOM 2780 CE1 PHE A 189 -5.432 -8.463 -11.218 1.00 -0.17 C \nATOM 2781 CE2 PHE A 189 -6.983 -10.297 -11.368 1.00 -0.17 C \nATOM 2782 CZ PHE A 189 -5.677 -9.827 -11.273 1.00 -0.11 C \nATOM 2783 HA PHE A 189 -8.148 -5.619 -12.847 1.00 0.10 H \nATOM 2784 HB2 PHE A 189 -8.851 -6.335 -10.612 1.00 0.03 H \nATOM 2785 HB3 PHE A 189 -9.895 -7.614 -11.319 1.00 0.03 H \nATOM 2786 HD2 PHE A 189 -9.065 -9.758 -11.510 1.00 0.13 H \nATOM 2787 HE2 PHE A 189 -7.176 -11.363 -11.397 1.00 0.14 H \nATOM 2788 HZ PHE A 189 -4.850 -10.527 -11.242 1.00 0.13 H \nATOM 2789 HE1 PHE A 189 -4.415 -8.098 -11.129 1.00 0.14 H \nATOM 2790 HD1 PHE A 189 -6.299 -6.495 -11.245 1.00 0.13 H \nATOM 2791 H PHE A 189 -11.115 -5.879 -12.882 1.00 0.27 H \nATOM 2792 N VAL A 190 -7.930 -7.439 -14.546 1.00 -0.42 N \nATOM 2793 CA VAL A 190 -7.795 -8.532 -15.501 1.00 -0.09 C \nATOM 2794 C VAL A 190 -6.376 -9.119 -15.439 1.00 0.60 C \nATOM 2795 O VAL A 190 -5.454 -8.470 -14.980 1.00 -0.57 O \nATOM 2796 CB VAL A 190 -8.173 -8.071 -16.921 1.00 0.30 C \nATOM 2797 CG1 VAL A 190 -7.143 -7.065 -17.491 1.00 -0.32 C \nATOM 2798 CG2 VAL A 190 -8.406 -9.270 -17.823 1.00 -0.32 C \nATOM 2799 HA VAL A 190 -8.499 -9.326 -15.211 1.00 0.10 H \nATOM 2800 HB VAL A 190 -9.131 -7.535 -16.846 1.00 -0.03 H \nATOM 2801 HG11 VAL A 190 -6.150 -7.536 -17.525 1.00 0.08 H \nATOM 2802 HG12 VAL A 190 -7.443 -6.769 -18.507 1.00 0.08 H \nATOM 2803 HG13 VAL A 190 -7.105 -6.175 -16.846 1.00 0.08 H \nATOM 2804 HG21 VAL A 190 -9.217 -9.887 -17.410 1.00 0.08 H \nATOM 2805 HG22 VAL A 190 -8.685 -8.923 -18.829 1.00 0.08 H \nATOM 2806 HG23 VAL A 190 -7.485 -9.868 -17.883 1.00 0.08 H \nATOM 2807 H VAL A 190 -7.144 -6.849 -14.361 1.00 0.27 H \nATOM 2808 N VAL A 191 -6.234 -10.359 -15.861 1.00 -0.42 N \nATOM 2809 CA VAL A 191 -4.940 -11.022 -15.914 1.00 -0.09 C \nATOM 2810 C VAL A 191 -4.676 -11.258 -17.370 1.00 0.60 C \nATOM 2811 O VAL A 191 -5.523 -11.802 -18.061 1.00 -0.57 O \nATOM 2812 CB VAL A 191 -4.934 -12.408 -15.199 1.00 0.30 C \nATOM 2813 CG1 VAL A 191 -3.531 -13.025 -15.204 1.00 -0.32 C \nATOM 2814 CG2 VAL A 191 -5.442 -12.284 -13.782 1.00 -0.32 C \nATOM 2815 HA VAL A 191 -4.168 -10.376 -15.471 1.00 0.10 H \nATOM 2816 HB VAL A 191 -5.608 -13.080 -15.750 1.00 -0.03 H \nATOM 2817 HG11 VAL A 191 -2.832 -12.350 -14.688 1.00 0.08 H \nATOM 2818 HG12 VAL A 191 -3.555 -13.995 -14.685 1.00 0.08 H \nATOM 2819 HG13 VAL A 191 -3.199 -13.173 -16.242 1.00 0.08 H \nATOM 2820 HG21 VAL A 191 -6.468 -11.887 -13.794 1.00 0.08 H \nATOM 2821 HG22 VAL A 191 -5.438 -13.274 -13.303 1.00 0.08 H \nATOM 2822 HG23 VAL A 191 -4.790 -11.601 -13.217 1.00 0.08 H \nATOM 2823 H VAL A 191 -7.046 -10.863 -16.156 1.00 0.27 H \nATOM 2824 N VAL A 192 -3.523 -10.802 -17.845 1.00 -0.42 N \nATOM 2825 CA VAL A 192 -3.078 -11.034 -19.199 1.00 -0.09 C \nATOM 2826 C VAL A 192 -1.655 -11.586 -19.064 1.00 0.60 C \nATOM 2827 O VAL A 192 -0.736 -10.842 -18.744 1.00 -0.57 O \nATOM 2828 CB VAL A 192 -3.100 -9.718 -20.029 1.00 0.30 C \nATOM 2829 CG1 VAL A 192 -2.596 -9.984 -21.433 1.00 -0.32 C \nATOM 2830 CG2 VAL A 192 -4.505 -9.119 -20.091 1.00 -0.32 C \nATOM 2831 HA VAL A 192 -3.726 -11.776 -19.689 1.00 0.10 H \nATOM 2832 HB VAL A 192 -2.432 -8.990 -19.545 1.00 -0.03 H \nATOM 2833 HG11 VAL A 192 -3.236 -10.737 -21.916 1.00 0.08 H \nATOM 2834 HG12 VAL A 192 -2.624 -9.051 -22.016 1.00 0.08 H \nATOM 2835 HG13 VAL A 192 -1.562 -10.356 -21.387 1.00 0.08 H \nATOM 2836 HG21 VAL A 192 -4.857 -8.904 -19.071 1.00 0.08 H \nATOM 2837 HG22 VAL A 192 -4.481 -8.187 -20.675 1.00 0.08 H \nATOM 2838 HG23 VAL A 192 -5.188 -9.835 -20.571 1.00 0.08 H \nATOM 2839 H VAL A 192 -2.934 -10.272 -17.235 1.00 0.27 H \nATOM 2840 N ARG A 193 -1.493 -12.892 -19.244 1.00 -0.35 N \nATOM 2841 CA ARG A 193 -0.221 -13.553 -19.015 1.00 -0.26 C \nATOM 2842 C ARG A 193 0.112 -14.400 -20.216 1.00 0.73 C \nATOM 2843 O ARG A 193 -0.735 -14.595 -21.076 1.00 -0.59 O \nATOM 2844 CB ARG A 193 -0.288 -14.408 -17.735 1.00 -0.00 C \nATOM 2845 CG ARG A 193 -0.218 -13.576 -16.405 1.00 0.04 C \nATOM 2846 CD ARG A 193 -0.326 -14.506 -15.212 1.00 0.05 C \nATOM 2847 NE ARG A 193 -0.260 -13.863 -13.889 1.00 -0.53 N \nATOM 2848 CZ ARG A 193 0.759 -13.944 -13.026 1.00 0.81 C \nATOM 2849 NH1 ARG A 193 1.915 -14.545 -13.336 1.00 -0.86 N \nATOM 2850 NH2 ARG A 193 0.643 -13.378 -11.831 1.00 -0.86 N \nATOM 2851 HA ARG A 193 0.562 -12.791 -18.888 1.00 0.16 H \nATOM 2852 HB2 ARG A 193 -1.235 -14.968 -17.743 1.00 0.03 H \nATOM 2853 HB3 ARG A 193 0.556 -15.114 -17.746 1.00 0.03 H \nATOM 2854 HG2 ARG A 193 0.739 -13.036 -16.362 1.00 0.03 H \nATOM 2855 HG3 ARG A 193 -1.048 -12.854 -16.382 1.00 0.03 H \nATOM 2856 HD2 ARG A 193 -1.288 -15.035 -15.282 1.00 0.07 H \nATOM 2857 HD3 ARG A 193 0.497 -15.233 -15.275 1.00 0.07 H \nATOM 2858 HE ARG A 193 -1.073 -13.299 -13.602 1.00 0.35 H \nATOM 2859 HH12 ARG A 193 2.676 -14.586 -12.643 1.00 0.45 H \nATOM 2860 HH11 ARG A 193 2.043 -14.966 -14.267 1.00 0.45 H \nATOM 2861 HH22 ARG A 193 1.420 -13.433 -11.157 1.00 0.45 H \nATOM 2862 HH21 ARG A 193 -0.224 -12.884 -11.577 1.00 0.45 H \nATOM 2863 H ARG A 193 -2.274 -13.438 -19.548 1.00 0.27 H \nATOM 2864 N ALA A 194 1.336 -14.903 -20.276 1.00 -0.42 N \nATOM 2865 CA ALA A 194 1.798 -15.735 -21.367 1.00 0.03 C \nATOM 2866 C ALA A 194 2.453 -16.982 -20.852 1.00 0.60 C \nATOM 2867 O ALA A 194 3.091 -16.957 -19.804 1.00 -0.57 O \nATOM 2868 CB ALA A 194 2.782 -14.940 -22.242 1.00 -0.18 C \nATOM 2869 HA ALA A 194 0.932 -16.023 -21.980 1.00 0.08 H \nATOM 2870 HB1 ALA A 194 3.131 -15.574 -23.070 1.00 0.06 H \nATOM 2871 HB2 ALA A 194 2.276 -14.052 -22.649 1.00 0.06 H \nATOM 2872 HB3 ALA A 194 3.642 -14.625 -21.633 1.00 0.06 H \nATOM 2873 H ALA A 194 1.972 -14.698 -19.532 1.00 0.27 H \nATOM 2874 N ILE A 195 2.334 -18.068 -21.619 1.00 -0.42 N \nATOM 2875 CA ILE A 195 2.731 -19.387 -21.180 1.00 -0.06 C \nATOM 2876 C ILE A 195 4.273 -19.594 -21.261 1.00 0.60 C \nATOM 2877 O ILE A 195 4.902 -19.382 -22.311 1.00 -0.57 O \nATOM 2878 CB ILE A 195 1.939 -20.491 -21.961 1.00 0.13 C \nATOM 2879 CG1 ILE A 195 0.412 -20.309 -21.838 1.00 -0.04 C \nATOM 2880 CG2 ILE A 195 2.328 -21.883 -21.516 1.00 -0.32 C \nATOM 2881 CD1 ILE A 195 -0.132 -20.306 -20.422 1.00 -0.07 C \nATOM 2882 HA ILE A 195 2.452 -19.475 -20.120 1.00 0.09 H \nATOM 2883 HB ILE A 195 2.203 -20.393 -23.024 1.00 0.02 H \nATOM 2884 HG12 ILE A 195 0.146 -19.350 -22.306 1.00 0.02 H \nATOM 2885 HG13 ILE A 195 -0.073 -21.131 -22.386 1.00 0.02 H \nATOM 2886 HD11 ILE A 195 0.333 -19.488 -19.852 1.00 0.02 H \nATOM 2887 HD12 ILE A 195 -1.222 -20.161 -20.448 1.00 0.02 H \nATOM 2888 HD13 ILE A 195 0.098 -21.267 -19.939 1.00 0.02 H \nATOM 2889 HG21 ILE A 195 2.123 -21.995 -20.441 1.00 0.09 H \nATOM 2890 HG22 ILE A 195 1.744 -22.625 -22.080 1.00 0.09 H \nATOM 2891 HG23 ILE A 195 3.400 -22.042 -21.703 1.00 0.09 H \nATOM 2892 H ILE A 195 1.953 -17.965 -22.538 1.00 0.27 H \nATOM 2893 N SER A 196 4.851 -20.044 -20.136 1.00 -0.42 N \nATOM 2894 CA SER A 196 6.281 -20.337 -19.998 1.00 -0.02 C \nATOM 2895 C SER A 196 6.585 -21.831 -19.916 1.00 0.60 C \nATOM 2896 O SER A 196 7.746 -22.241 -20.128 1.00 -0.57 O \nATOM 2897 CB SER A 196 6.880 -19.612 -18.754 1.00 0.21 C \nATOM 2898 OG SER A 196 6.158 -19.924 -17.554 1.00 -0.65 O \nATOM 2899 HA SER A 196 6.783 -19.945 -20.895 1.00 0.08 H \nATOM 2900 HB2 SER A 196 7.927 -19.924 -18.630 1.00 0.04 H \nATOM 2901 HB3 SER A 196 6.839 -18.526 -18.921 1.00 0.04 H \nATOM 2902 HG SER A 196 6.550 -19.466 -16.820 1.00 0.43 H \nATOM 2903 H SER A 196 4.266 -20.189 -19.338 1.00 0.27 H \nATOM 2904 N ASP A 197 5.557 -22.626 -19.604 1.00 -0.52 N \nATOM 2905 CA ASP A 197 5.656 -24.034 -19.357 1.00 0.04 C \nATOM 2906 C ASP A 197 4.249 -24.649 -19.268 1.00 0.54 C \nATOM 2907 O ASP A 197 3.259 -23.913 -19.256 1.00 -0.58 O \nATOM 2908 CB ASP A 197 6.427 -24.284 -18.073 1.00 -0.03 C \nATOM 2909 CG ASP A 197 5.729 -23.708 -16.851 1.00 0.80 C \nATOM 2910 OD1 ASP A 197 4.880 -24.414 -16.254 1.00 -0.80 O \nATOM 2911 OD2 ASP A 197 6.035 -22.565 -16.490 1.00 -0.80 O \nATOM 2912 HA ASP A 197 6.196 -24.505 -20.192 1.00 0.09 H \nATOM 2913 HB2 ASP A 197 6.540 -25.369 -17.935 1.00 -0.01 H \nATOM 2914 HB3 ASP A 197 7.421 -23.820 -18.163 1.00 -0.01 H \nATOM 2915 H ASP A 197 4.651 -22.207 -19.538 1.00 0.29 H \nATOM 2916 N VAL A 198 4.151 -25.978 -19.194 1.00 -0.42 N \nATOM 2917 CA VAL A 198 2.838 -26.636 -19.116 1.00 -0.09 C \nATOM 2918 C VAL A 198 2.626 -27.379 -17.787 1.00 0.60 C \nATOM 2919 O VAL A 198 1.798 -28.279 -17.672 1.00 -0.57 O \nATOM 2920 CB VAL A 198 2.546 -27.534 -20.363 1.00 0.30 C \nATOM 2921 CG1 VAL A 198 2.448 -26.677 -21.603 1.00 -0.32 C \nATOM 2922 CG2 VAL A 198 3.605 -28.606 -20.575 1.00 -0.32 C \nATOM 2923 HA VAL A 198 2.090 -25.830 -19.138 1.00 0.10 H \nATOM 2924 HB VAL A 198 1.580 -28.034 -20.203 1.00 -0.03 H \nATOM 2925 HG11 VAL A 198 3.394 -26.135 -21.750 1.00 0.08 H \nATOM 2926 HG12 VAL A 198 2.253 -27.317 -22.476 1.00 0.08 H \nATOM 2927 HG13 VAL A 198 1.626 -25.955 -21.486 1.00 0.08 H \nATOM 2928 HG21 VAL A 198 3.654 -29.253 -19.687 1.00 0.08 H \nATOM 2929 HG22 VAL A 198 3.343 -29.211 -21.456 1.00 0.08 H \nATOM 2930 HG23 VAL A 198 4.583 -28.129 -20.735 1.00 0.08 H \nATOM 2931 H VAL A 198 4.982 -26.534 -19.192 1.00 0.27 H \nATOM 2932 N ALA A 199 3.351 -26.932 -16.767 1.00 -0.42 N \nATOM 2933 CA ALA A 199 3.109 -27.311 -15.387 1.00 0.03 C \nATOM 2934 C ALA A 199 3.334 -28.807 -15.134 1.00 0.60 C \nATOM 2935 O ALA A 199 2.897 -29.347 -14.118 1.00 -0.57 O \nATOM 2936 CB ALA A 199 1.708 -26.849 -14.975 1.00 -0.18 C \nATOM 2937 HA ALA A 199 3.834 -26.769 -14.762 1.00 0.08 H \nATOM 2938 HB1 ALA A 199 1.520 -27.134 -13.929 1.00 0.06 H \nATOM 2939 HB2 ALA A 199 1.638 -25.756 -15.075 1.00 0.06 H \nATOM 2940 HB3 ALA A 199 0.959 -27.325 -15.625 1.00 0.06 H \nATOM 2941 H ALA A 199 4.103 -26.301 -16.960 1.00 0.27 H \nATOM 2942 N ASP A 200 4.041 -29.462 -16.064 1.00 -0.52 N \nATOM 2943 CA ASP A 200 4.328 -30.890 -16.014 1.00 0.04 C \nATOM 2944 C ASP A 200 5.658 -31.179 -15.297 1.00 0.54 C \nATOM 2945 O ASP A 200 6.256 -30.269 -14.719 1.00 -0.58 O \nATOM 2946 CB ASP A 200 4.348 -31.460 -17.434 1.00 -0.03 C \nATOM 2947 CG ASP A 200 5.533 -30.997 -18.257 1.00 0.80 C \nATOM 2948 OD1 ASP A 200 6.328 -30.128 -17.815 1.00 -0.80 O \nATOM 2949 OD2 ASP A 200 5.684 -31.539 -19.390 1.00 -0.80 O \nATOM 2950 HA ASP A 200 3.522 -31.384 -15.451 1.00 0.09 H \nATOM 2951 HB2 ASP A 200 4.378 -32.558 -17.368 1.00 -0.01 H \nATOM 2952 HB3 ASP A 200 3.426 -31.149 -17.947 1.00 -0.01 H \nATOM 2953 H ASP A 200 4.394 -28.939 -16.840 1.00 0.29 H \nATOM 2954 N GLN A 201 6.145 -32.421 -15.381 1.00 -0.42 N \nATOM 2955 CA GLN A 201 7.375 -32.812 -14.674 1.00 -0.00 C \nATOM 2956 C GLN A 201 8.619 -32.057 -15.125 1.00 0.60 C \nATOM 2957 O GLN A 201 9.602 -32.084 -14.445 1.00 -0.57 O \nATOM 2958 CB GLN A 201 7.642 -34.310 -14.811 1.00 -0.00 C \nATOM 2959 CG GLN A 201 6.838 -35.091 -13.808 1.00 -0.06 C \nATOM 2960 CD GLN A 201 7.121 -36.583 -13.810 1.00 0.70 C \nATOM 2961 OE1 GLN A 201 7.893 -37.098 -14.628 1.00 -0.61 O \nATOM 2962 NE2 GLN A 201 6.470 -37.291 -12.898 1.00 -0.94 N \nATOM 2963 HA GLN A 201 7.219 -32.588 -13.608 1.00 0.09 H \nATOM 2964 HB2 GLN A 201 7.366 -34.634 -15.825 1.00 0.02 H \nATOM 2965 HB3 GLN A 201 8.712 -34.502 -14.643 1.00 0.02 H \nATOM 2966 HG2 GLN A 201 7.062 -34.699 -12.805 1.00 0.04 H \nATOM 2967 HG3 GLN A 201 5.771 -34.942 -14.030 1.00 0.04 H \nATOM 2968 HE22 GLN A 201 6.607 -38.280 -12.841 1.00 0.43 H \nATOM 2969 HE21 GLN A 201 5.841 -36.836 -12.267 1.00 0.43 H \nATOM 2970 H GLN A 201 5.663 -33.099 -15.936 1.00 0.27 H \nATOM 2971 N GLN A 202 8.548 -31.395 -16.271 1.00 -0.42 N \nATOM 2972 CA GLN A 202 9.654 -30.665 -16.840 1.00 -0.00 C \nATOM 2973 C GLN A 202 9.460 -29.154 -16.743 1.00 0.60 C \nATOM 2974 O GLN A 202 10.272 -28.414 -17.299 1.00 -0.57 O \nATOM 2975 CB GLN A 202 9.787 -31.042 -18.327 1.00 -0.00 C \nATOM 2976 CG GLN A 202 9.771 -32.541 -18.594 1.00 -0.06 C \nATOM 2977 CD GLN A 202 10.717 -33.297 -17.685 1.00 0.70 C \nATOM 2978 OE1 GLN A 202 11.852 -32.842 -17.423 1.00 -0.61 O \nATOM 2979 NE2 GLN A 202 10.259 -34.433 -17.162 1.00 -0.94 N \nATOM 2980 HA GLN A 202 10.575 -30.942 -16.305 1.00 0.09 H \nATOM 2981 HB2 GLN A 202 8.950 -30.585 -18.875 1.00 0.02 H \nATOM 2982 HB3 GLN A 202 10.737 -30.635 -18.703 1.00 0.02 H \nATOM 2983 HG2 GLN A 202 8.750 -32.918 -18.434 1.00 0.04 H \nATOM 2984 HG3 GLN A 202 10.068 -32.717 -19.638 1.00 0.04 H \nATOM 2985 HE22 GLN A 202 10.841 -34.974 -16.554 1.00 0.43 H \nATOM 2986 HE21 GLN A 202 9.334 -34.745 -17.377 1.00 0.43 H \nATOM 2987 H GLN A 202 7.680 -31.402 -16.768 1.00 0.27 H \nATOM 2988 N SER A 203 8.396 -28.692 -16.068 1.00 -0.42 N \nATOM 2989 CA SER A 203 8.048 -27.269 -16.045 1.00 -0.02 C \nATOM 2990 C SER A 203 9.222 -26.374 -15.569 1.00 0.60 C \nATOM 2991 O SER A 203 9.371 -25.268 -16.070 1.00 -0.57 O \nATOM 2992 CB SER A 203 6.821 -26.996 -15.173 1.00 0.21 C \nATOM 2993 OG SER A 203 7.048 -27.354 -13.799 1.00 -0.65 O \nATOM 2994 HA SER A 203 7.801 -26.977 -17.077 1.00 0.08 H \nATOM 2995 HB2 SER A 203 6.579 -25.924 -15.226 1.00 0.04 H \nATOM 2996 HB3 SER A 203 5.974 -27.583 -15.558 1.00 0.04 H \nATOM 2997 HG SER A 203 6.267 -27.171 -13.291 1.00 0.43 H \nATOM 2998 H SER A 203 7.823 -29.339 -15.565 1.00 0.27 H \nATOM 2999 N HIS A 204 10.035 -26.854 -14.636 1.00 -0.42 N \nATOM 3000 CA HIS A 204 11.224 -26.080 -14.202 1.00 0.02 C \nATOM 3001 C HIS A 204 12.229 -25.838 -15.311 1.00 0.60 C \nATOM 3002 O HIS A 204 12.841 -24.766 -15.385 1.00 -0.57 O \nATOM 3003 CB HIS A 204 11.908 -26.719 -12.996 1.00 -0.05 C \nATOM 3004 CG HIS A 204 12.406 -28.102 -13.237 1.00 -0.03 C \nATOM 3005 ND1 HIS A 204 11.573 -29.144 -13.599 1.00 -0.38 N \nATOM 3006 CD2 HIS A 204 13.652 -28.628 -13.142 1.00 0.13 C \nATOM 3007 CE1 HIS A 204 12.289 -30.245 -13.730 1.00 0.21 C \nATOM 3008 NE2 HIS A 204 13.553 -29.962 -13.454 1.00 -0.57 N \nATOM 3009 HA HIS A 204 10.857 -25.093 -13.883 1.00 0.09 H \nATOM 3010 HB2 HIS A 204 12.764 -26.089 -12.711 1.00 0.04 H \nATOM 3011 HB3 HIS A 204 11.185 -26.752 -12.167 1.00 0.04 H \nATOM 3012 HD2 HIS A 204 14.561 -28.093 -12.869 1.00 0.11 H \nATOM 3013 HE1 HIS A 204 11.905 -31.223 -14.017 1.00 0.14 H \nATOM 3014 HD1 HIS A 204 10.556 -29.073 -13.743 1.00 0.36 H \nATOM 3015 H HIS A 204 9.845 -27.744 -14.222 1.00 0.27 H \nATOM 3016 N LEU A 205 12.420 -26.829 -16.179 1.00 -0.42 N \nATOM 3017 CA LEU A 205 13.327 -26.677 -17.313 1.00 -0.05 C \nATOM 3018 C LEU A 205 12.738 -25.746 -18.383 1.00 0.60 C \nATOM 3019 O LEU A 205 13.438 -24.890 -18.919 1.00 -0.57 O \nATOM 3020 CB LEU A 205 13.656 -28.056 -17.910 1.00 -0.11 C \nATOM 3021 CG LEU A 205 14.335 -29.055 -16.937 1.00 0.35 C \nATOM 3022 CD1 LEU A 205 14.526 -30.414 -17.558 1.00 -0.41 C \nATOM 3023 CD2 LEU A 205 15.682 -28.549 -16.503 1.00 -0.41 C \nATOM 3024 HA LEU A 205 14.262 -26.227 -16.947 1.00 0.09 H \nATOM 3025 HB2 LEU A 205 12.716 -28.508 -18.260 1.00 0.05 H \nATOM 3026 HB3 LEU A 205 14.330 -27.904 -18.766 1.00 0.05 H \nATOM 3027 HG LEU A 205 13.691 -29.160 -16.051 1.00 -0.04 H \nATOM 3028 HD21 LEU A 205 15.564 -27.578 -16.001 1.00 0.10 H \nATOM 3029 HD22 LEU A 205 16.137 -29.269 -15.807 1.00 0.10 H \nATOM 3030 HD23 LEU A 205 16.330 -28.430 -17.384 1.00 0.10 H \nATOM 3031 HD11 LEU A 205 15.152 -30.321 -18.458 1.00 0.10 H \nATOM 3032 HD12 LEU A 205 15.018 -31.081 -16.835 1.00 0.10 H \nATOM 3033 HD13 LEU A 205 13.547 -30.832 -17.834 1.00 0.10 H \nATOM 3034 H LEU A 205 11.933 -27.693 -16.052 1.00 0.27 H \nATOM 3035 N SER A 206 11.456 -25.943 -18.711 1.00 -0.42 N \nATOM 3036 CA SER A 206 10.743 -25.072 -19.639 1.00 -0.02 C \nATOM 3037 C SER A 206 10.747 -23.603 -19.166 1.00 0.60 C \nATOM 3038 O SER A 206 10.989 -22.662 -19.968 1.00 -0.57 O \nATOM 3039 CB SER A 206 9.305 -25.558 -19.821 1.00 0.21 C \nATOM 3040 OG SER A 206 8.618 -24.718 -20.750 1.00 -0.65 O \nATOM 3041 HA SER A 206 11.253 -25.120 -20.613 1.00 0.08 H \nATOM 3042 HB2 SER A 206 9.315 -26.590 -20.202 1.00 0.04 H \nATOM 3043 HB3 SER A 206 8.786 -25.530 -18.852 1.00 0.04 H \nATOM 3044 HG SER A 206 7.726 -25.027 -20.857 1.00 0.43 H \nATOM 3045 H SER A 206 10.968 -26.716 -18.305 1.00 0.27 H \nATOM 3046 N PHE A 207 10.487 -23.414 -17.876 1.00 -0.42 N \nATOM 3047 CA PHE A 207 10.497 -22.078 -17.276 1.00 -0.00 C \nATOM 3048 C PHE A 207 11.863 -21.426 -17.405 1.00 0.60 C \nATOM 3049 O PHE A 207 11.988 -20.280 -17.825 1.00 -0.57 O \nATOM 3050 CB PHE A 207 10.118 -22.152 -15.818 1.00 -0.03 C \nATOM 3051 CG PHE A 207 9.951 -20.814 -15.170 1.00 0.01 C \nATOM 3052 CD1 PHE A 207 10.985 -20.258 -14.458 1.00 -0.13 C \nATOM 3053 CD2 PHE A 207 8.769 -20.115 -15.293 1.00 -0.13 C \nATOM 3054 CE1 PHE A 207 10.858 -19.037 -13.855 1.00 -0.17 C \nATOM 3055 CE2 PHE A 207 8.635 -18.870 -14.704 1.00 -0.17 C \nATOM 3056 CZ PHE A 207 9.684 -18.347 -13.957 1.00 -0.11 C \nATOM 3057 HA PHE A 207 9.759 -21.455 -17.803 1.00 0.10 H \nATOM 3058 HB2 PHE A 207 9.168 -22.699 -15.734 1.00 0.03 H \nATOM 3059 HB3 PHE A 207 10.906 -22.701 -15.282 1.00 0.03 H \nATOM 3060 HD2 PHE A 207 7.944 -20.541 -15.852 1.00 0.13 H \nATOM 3061 HE2 PHE A 207 7.717 -18.306 -14.824 1.00 0.14 H \nATOM 3062 HZ PHE A 207 9.570 -17.392 -13.456 1.00 0.13 H \nATOM 3063 HE1 PHE A 207 11.688 -18.618 -13.297 1.00 0.14 H \nATOM 3064 HD1 PHE A 207 11.921 -20.798 -14.372 1.00 0.13 H \nATOM 3065 H PHE A 207 10.279 -24.205 -17.300 1.00 0.27 H \nATOM 3066 N ASP A 208 12.906 -22.167 -17.086 1.00 -0.52 N \nATOM 3067 CA ASP A 208 14.246 -21.589 -17.179 1.00 0.04 C \nATOM 3068 C ASP A 208 14.706 -21.253 -18.605 1.00 0.54 C \nATOM 3069 O ASP A 208 15.591 -20.413 -18.782 1.00 -0.58 O \nATOM 3070 CB ASP A 208 15.254 -22.466 -16.440 1.00 -0.03 C \nATOM 3071 CG ASP A 208 15.243 -22.205 -14.938 1.00 0.80 C \nATOM 3072 OD1 ASP A 208 15.815 -23.001 -14.175 1.00 -0.80 O \nATOM 3073 OD2 ASP A 208 14.666 -21.188 -14.496 1.00 -0.80 O \nATOM 3074 HA ASP A 208 14.206 -20.630 -16.642 1.00 0.09 H \nATOM 3075 HB2 ASP A 208 15.005 -23.522 -16.619 1.00 -0.01 H \nATOM 3076 HB3 ASP A 208 16.261 -22.256 -16.830 1.00 -0.01 H \nATOM 3077 H ASP A 208 12.782 -23.112 -16.784 1.00 0.29 H \nATOM 3078 N GLU A 209 14.088 -21.888 -19.599 1.00 -0.52 N \nATOM 3079 CA GLU A 209 14.366 -21.613 -21.007 1.00 0.04 C \nATOM 3080 C GLU A 209 13.451 -20.556 -21.607 1.00 0.54 C \nATOM 3081 O GLU A 209 13.912 -19.743 -22.443 1.00 -0.58 O \nATOM 3082 CB GLU A 209 14.244 -22.900 -21.829 1.00 0.06 C \nATOM 3083 CG GLU A 209 14.488 -22.715 -23.327 1.00 0.01 C \nATOM 3084 CD GLU A 209 14.811 -24.026 -24.036 1.00 0.81 C \nATOM 3085 OE1 GLU A 209 14.522 -25.103 -23.470 1.00 -0.82 O \nATOM 3086 OE2 GLU A 209 15.360 -23.982 -25.163 1.00 -0.82 O \nATOM 3087 HA GLU A 209 15.401 -21.247 -21.079 1.00 0.11 H \nATOM 3088 HB2 GLU A 209 14.979 -23.624 -21.447 1.00 -0.02 H \nATOM 3089 HB3 GLU A 209 13.229 -23.301 -21.692 1.00 -0.02 H \nATOM 3090 HG2 GLU A 209 13.584 -22.283 -23.780 1.00 -0.04 H \nATOM 3091 HG3 GLU A 209 15.333 -22.024 -23.463 1.00 -0.04 H \nATOM 3092 H GLU A 209 13.405 -22.582 -19.372 1.00 0.29 H \nATOM 3093 N PHE A 210 12.164 -20.573 -21.236 1.00 -0.42 N \nATOM 3094 CA PHE A 210 11.149 -19.790 -21.946 1.00 -0.00 C \nATOM 3095 C PHE A 210 10.532 -18.632 -21.164 1.00 0.60 C \nATOM 3096 O PHE A 210 9.727 -17.903 -21.722 1.00 -0.57 O \nATOM 3097 CB PHE A 210 10.040 -20.702 -22.489 1.00 -0.03 C \nATOM 3098 CG PHE A 210 10.534 -21.693 -23.508 1.00 0.01 C \nATOM 3099 CD1 PHE A 210 10.995 -21.256 -24.751 1.00 -0.13 C \nATOM 3100 CD2 PHE A 210 10.536 -23.060 -23.238 1.00 -0.13 C \nATOM 3101 CE1 PHE A 210 11.479 -22.168 -25.695 1.00 -0.17 C \nATOM 3102 CE2 PHE A 210 11.007 -23.973 -24.175 1.00 -0.17 C \nATOM 3103 CZ PHE A 210 11.495 -23.524 -25.398 1.00 -0.11 C \nATOM 3104 HA PHE A 210 11.658 -19.342 -22.812 1.00 0.10 H \nATOM 3105 HB2 PHE A 210 9.599 -21.256 -21.647 1.00 0.03 H \nATOM 3106 HB3 PHE A 210 9.269 -20.073 -22.958 1.00 0.03 H \nATOM 3107 HD2 PHE A 210 10.165 -23.417 -22.284 1.00 0.13 H \nATOM 3108 HE2 PHE A 210 10.994 -25.034 -23.953 1.00 0.14 H \nATOM 3109 HZ PHE A 210 11.887 -24.232 -26.119 1.00 0.13 H \nATOM 3110 HE1 PHE A 210 11.840 -21.817 -26.655 1.00 0.14 H \nATOM 3111 HD1 PHE A 210 10.978 -20.198 -24.987 1.00 0.13 H \nATOM 3112 H PHE A 210 11.889 -21.134 -20.455 1.00 0.27 H \nATOM 3113 N LEU A 211 10.937 -18.403 -19.915 1.00 -0.42 N \nATOM 3114 CA LEU A 211 10.481 -17.195 -19.215 1.00 -0.05 C \nATOM 3115 C LEU A 211 10.585 -15.916 -20.095 1.00 0.60 C \nATOM 3116 O LEU A 211 9.643 -15.109 -20.142 1.00 -0.57 O \nATOM 3117 CB LEU A 211 11.212 -17.006 -17.882 1.00 -0.11 C \nATOM 3118 CG LEU A 211 10.822 -15.736 -17.108 1.00 0.35 C \nATOM 3119 CD1 LEU A 211 9.316 -15.650 -16.904 1.00 -0.41 C \nATOM 3120 CD2 LEU A 211 11.562 -15.658 -15.781 1.00 -0.41 C \nATOM 3121 HA LEU A 211 9.415 -17.342 -18.985 1.00 0.09 H \nATOM 3122 HB2 LEU A 211 10.993 -17.876 -17.245 1.00 0.05 H \nATOM 3123 HB3 LEU A 211 12.292 -16.964 -18.087 1.00 0.05 H \nATOM 3124 HG LEU A 211 11.127 -14.869 -17.713 1.00 -0.04 H \nATOM 3125 HD21 LEU A 211 12.646 -15.650 -15.966 1.00 0.10 H \nATOM 3126 HD22 LEU A 211 11.273 -14.737 -15.254 1.00 0.10 H \nATOM 3127 HD23 LEU A 211 11.302 -16.531 -15.164 1.00 0.10 H \nATOM 3128 HD11 LEU A 211 8.971 -16.531 -16.342 1.00 0.10 H \nATOM 3129 HD12 LEU A 211 9.074 -14.737 -16.340 1.00 0.10 H \nATOM 3130 HD13 LEU A 211 8.815 -15.620 -17.883 1.00 0.10 H \nATOM 3131 H LEU A 211 11.547 -19.050 -19.457 1.00 0.27 H \nATOM 3132 N ALA A 212 11.699 -15.746 -20.808 1.00 -0.42 N \nATOM 3133 CA ALA A 212 11.919 -14.518 -21.605 1.00 0.03 C \nATOM 3134 C ALA A 212 10.928 -14.397 -22.758 1.00 0.60 C \nATOM 3135 O ALA A 212 10.475 -13.300 -23.074 1.00 -0.57 O \nATOM 3136 CB ALA A 212 13.334 -14.463 -22.143 1.00 -0.18 C \nATOM 3137 HA ALA A 212 11.771 -13.656 -20.938 1.00 0.08 H \nATOM 3138 HB1 ALA A 212 13.468 -13.542 -22.730 1.00 0.06 H \nATOM 3139 HB2 ALA A 212 14.046 -14.470 -21.304 1.00 0.06 H \nATOM 3140 HB3 ALA A 212 13.516 -15.337 -22.786 1.00 0.06 H \nATOM 3141 H ALA A 212 12.398 -16.461 -20.804 1.00 0.27 H \nATOM 3142 N VAL A 213 10.610 -15.522 -23.391 1.00 -0.42 N \nATOM 3143 CA VAL A 213 9.594 -15.540 -24.423 1.00 -0.09 C \nATOM 3144 C VAL A 213 8.237 -15.137 -23.864 1.00 0.60 C \nATOM 3145 O VAL A 213 7.533 -14.327 -24.461 1.00 -0.57 O \nATOM 3146 CB VAL A 213 9.499 -16.898 -25.148 1.00 0.30 C \nATOM 3147 CG1 VAL A 213 8.458 -16.826 -26.257 1.00 -0.32 C \nATOM 3148 CG2 VAL A 213 10.855 -17.277 -25.716 1.00 -0.32 C \nATOM 3149 HA VAL A 213 9.881 -14.789 -25.174 1.00 0.10 H \nATOM 3150 HB VAL A 213 9.191 -17.667 -24.424 1.00 -0.03 H \nATOM 3151 HG11 VAL A 213 8.741 -16.042 -26.975 1.00 0.08 H \nATOM 3152 HG12 VAL A 213 8.405 -17.795 -26.774 1.00 0.08 H \nATOM 3153 HG13 VAL A 213 7.476 -16.588 -25.823 1.00 0.08 H \nATOM 3154 HG21 VAL A 213 11.589 -17.343 -24.900 1.00 0.08 H \nATOM 3155 HG22 VAL A 213 10.781 -18.251 -26.222 1.00 0.08 H \nATOM 3156 HG23 VAL A 213 11.177 -16.512 -26.438 1.00 0.08 H \nATOM 3157 H VAL A 213 11.081 -16.371 -23.150 1.00 0.27 H \nATOM 3158 N ALA A 214 7.880 -15.670 -22.700 1.00 -0.42 N \nATOM 3159 CA ALA A 214 6.620 -15.304 -22.081 1.00 0.03 C \nATOM 3160 C ALA A 214 6.582 -13.847 -21.655 1.00 0.60 C \nATOM 3161 O ALA A 214 5.554 -13.191 -21.812 1.00 -0.57 O \nATOM 3162 CB ALA A 214 6.278 -16.224 -20.905 1.00 -0.18 C \nATOM 3163 HA ALA A 214 5.837 -15.440 -22.842 1.00 0.08 H \nATOM 3164 HB1 ALA A 214 5.319 -15.915 -20.464 1.00 0.06 H \nATOM 3165 HB2 ALA A 214 6.200 -17.262 -21.262 1.00 0.06 H \nATOM 3166 HB3 ALA A 214 7.070 -16.157 -20.144 1.00 0.06 H \nATOM 3167 H ALA A 214 8.483 -16.327 -22.248 1.00 0.27 H \nATOM 3168 N ALA A 215 7.674 -13.332 -21.110 1.00 -0.42 N \nATOM 3169 CA ALA A 215 7.775 -11.901 -20.796 1.00 0.03 C \nATOM 3170 C ALA A 215 7.624 -11.024 -22.045 1.00 0.60 C \nATOM 3171 O ALA A 215 6.981 -9.976 -22.004 1.00 -0.57 O \nATOM 3172 CB ALA A 215 9.107 -11.586 -20.126 1.00 -0.18 C \nATOM 3173 HA ALA A 215 6.964 -11.649 -20.097 1.00 0.08 H \nATOM 3174 HB1 ALA A 215 9.159 -10.511 -19.901 1.00 0.06 H \nATOM 3175 HB2 ALA A 215 9.193 -12.161 -19.192 1.00 0.06 H \nATOM 3176 HB3 ALA A 215 9.931 -11.860 -20.801 1.00 0.06 H \nATOM 3177 H ALA A 215 8.448 -13.932 -20.908 1.00 0.27 H \nATOM 3178 N LYS A 216 8.208 -11.463 -23.146 1.00 -0.35 N \nATOM 3179 CA LYS A 216 8.094 -10.719 -24.390 1.00 -0.24 C \nATOM 3180 C LYS A 216 6.640 -10.636 -24.874 1.00 0.73 C \nATOM 3181 O LYS A 216 6.173 -9.564 -25.234 1.00 -0.59 O \nATOM 3182 CB LYS A 216 8.962 -11.358 -25.466 1.00 -0.01 C \nATOM 3183 CG LYS A 216 9.159 -10.502 -26.704 1.00 0.02 C \nATOM 3184 CD LYS A 216 10.106 -11.189 -27.683 1.00 -0.05 C \nATOM 3185 CE LYS A 216 9.495 -12.452 -28.300 1.00 -0.01 C \nATOM 3186 NZ LYS A 216 10.528 -13.432 -28.758 1.00 -0.39 N \nATOM 3187 HA LYS A 216 8.456 -9.696 -24.211 1.00 0.14 H \nATOM 3188 HB2 LYS A 216 9.951 -11.567 -25.031 1.00 0.04 H \nATOM 3189 HB3 LYS A 216 8.490 -12.303 -25.773 1.00 0.04 H \nATOM 3190 HG2 LYS A 216 8.186 -10.343 -27.192 1.00 0.01 H \nATOM 3191 HG3 LYS A 216 9.585 -9.532 -26.409 1.00 0.01 H \nATOM 3192 HD2 LYS A 216 10.351 -10.484 -28.491 1.00 0.06 H \nATOM 3193 HD3 LYS A 216 11.026 -11.467 -27.148 1.00 0.06 H \nATOM 3194 HE2 LYS A 216 8.859 -12.939 -27.546 1.00 0.11 H \nATOM 3195 HE3 LYS A 216 8.881 -12.159 -29.164 1.00 0.11 H \nATOM 3196 HZ1 LYS A 216 11.100 -13.708 -27.975 1.00 0.34 H \nATOM 3197 HZ2 LYS A 216 10.073 -14.244 -29.145 1.00 0.34 H \nATOM 3198 HZ3 LYS A 216 11.108 -13.004 -29.463 1.00 0.34 H \nATOM 3199 H LYS A 216 8.733 -12.314 -23.123 1.00 0.27 H \nATOM 3200 N GLN A 217 5.924 -11.752 -24.863 1.00 -0.42 N \nATOM 3201 CA GLN A 217 4.564 -11.776 -25.401 1.00 -0.00 C \nATOM 3202 C GLN A 217 3.604 -11.073 -24.465 1.00 0.60 C \nATOM 3203 O GLN A 217 2.742 -10.332 -24.921 1.00 -0.57 O \nATOM 3204 CB GLN A 217 4.110 -13.205 -25.678 1.00 -0.00 C \nATOM 3205 CG GLN A 217 4.949 -13.934 -26.738 1.00 -0.06 C \nATOM 3206 CD GLN A 217 5.044 -13.128 -28.011 1.00 0.70 C \nATOM 3207 OE1 GLN A 217 6.087 -12.567 -28.327 1.00 -0.61 O \nATOM 3208 NE2 GLN A 217 3.942 -13.010 -28.707 1.00 -0.94 N \nATOM 3209 HA GLN A 217 4.567 -11.231 -26.356 1.00 0.09 H \nATOM 3210 HB2 GLN A 217 4.169 -13.775 -24.739 1.00 0.02 H \nATOM 3211 HB3 GLN A 217 3.066 -13.175 -26.024 1.00 0.02 H \nATOM 3212 HG2 GLN A 217 5.962 -14.099 -26.342 1.00 0.04 H \nATOM 3213 HG3 GLN A 217 4.480 -14.904 -26.962 1.00 0.04 H \nATOM 3214 HE22 GLN A 217 3.943 -12.488 -29.560 1.00 0.43 H \nATOM 3215 HE21 GLN A 217 3.099 -13.442 -28.386 1.00 0.43 H \nATOM 3216 H GLN A 217 6.319 -12.588 -24.482 1.00 0.27 H \nATOM 3217 N SER A 218 3.734 -11.306 -23.160 1.00 -0.42 N \nATOM 3218 CA SER A 218 2.855 -10.632 -22.173 1.00 -0.02 C \nATOM 3219 C SER A 218 3.056 -9.124 -22.241 1.00 0.60 C \nATOM 3220 O SER A 218 2.084 -8.355 -22.189 1.00 -0.57 O \nATOM 3221 CB SER A 218 3.074 -11.168 -20.739 1.00 0.21 C \nATOM 3222 OG SER A 218 4.412 -10.923 -20.309 1.00 -0.65 O \nATOM 3223 HA SER A 218 1.812 -10.847 -22.450 1.00 0.08 H \nATOM 3224 HB2 SER A 218 2.376 -10.664 -20.054 1.00 0.04 H \nATOM 3225 HB3 SER A 218 2.883 -12.251 -20.725 1.00 0.04 H \nATOM 3226 HG SER A 218 4.528 -11.258 -19.428 1.00 0.43 H \nATOM 3227 H SER A 218 4.434 -11.945 -22.841 1.00 0.27 H \nATOM 3228 N THR A 219 4.316 -8.697 -22.360 1.00 -0.42 N \nATOM 3229 CA THR A 219 4.650 -7.271 -22.490 1.00 -0.04 C \nATOM 3230 C THR A 219 3.998 -6.654 -23.743 1.00 0.60 C \nATOM 3231 O THR A 219 3.490 -5.539 -23.699 1.00 -0.57 O \nATOM 3232 CB THR A 219 6.183 -7.034 -22.553 1.00 0.37 C \nATOM 3233 OG1 THR A 219 6.796 -7.398 -21.303 1.00 -0.68 O \nATOM 3234 CG2 THR A 219 6.486 -5.591 -22.842 1.00 -0.24 C \nATOM 3235 HA THR A 219 4.257 -6.752 -21.603 1.00 0.10 H \nATOM 3236 HB THR A 219 6.605 -7.657 -23.356 1.00 0.00 H \nATOM 3237 HG1 THR A 219 7.733 -7.249 -21.354 1.00 0.41 H \nATOM 3238 HG23 THR A 219 6.700 -5.469 -23.914 1.00 0.06 H \nATOM 3239 HG21 THR A 219 5.619 -4.972 -22.569 1.00 0.06 H \nATOM 3240 HG22 THR A 219 7.361 -5.275 -22.255 1.00 0.06 H \nATOM 3241 H THR A 219 5.056 -9.369 -22.361 1.00 0.27 H \nATOM 3242 N LEU A 220 4.003 -7.387 -24.849 1.00 -0.42 N \nATOM 3243 CA LEU A 220 3.418 -6.883 -26.094 1.00 -0.05 C \nATOM 3244 C LEU A 220 1.924 -6.689 -25.894 1.00 0.60 C \nATOM 3245 O LEU A 220 1.356 -5.656 -26.261 1.00 -0.57 O \nATOM 3246 CB LEU A 220 3.686 -7.862 -27.235 1.00 -0.11 C \nATOM 3247 CG LEU A 220 2.905 -7.617 -28.517 1.00 0.35 C \nATOM 3248 CD1 LEU A 220 3.302 -6.280 -29.148 1.00 -0.41 C \nATOM 3249 CD2 LEU A 220 3.134 -8.766 -29.470 1.00 -0.41 C \nATOM 3250 HA LEU A 220 3.876 -5.914 -26.342 1.00 0.09 H \nATOM 3251 HB2 LEU A 220 4.758 -7.811 -27.478 1.00 0.05 H \nATOM 3252 HB3 LEU A 220 3.439 -8.872 -26.877 1.00 0.05 H \nATOM 3253 HG LEU A 220 1.833 -7.576 -28.272 1.00 -0.04 H \nATOM 3254 HD21 LEU A 220 2.802 -9.704 -29.001 1.00 0.10 H \nATOM 3255 HD22 LEU A 220 2.562 -8.596 -30.394 1.00 0.10 H \nATOM 3256 HD23 LEU A 220 4.205 -8.836 -29.710 1.00 0.10 H \nATOM 3257 HD11 LEU A 220 4.378 -6.287 -29.374 1.00 0.10 H \nATOM 3258 HD12 LEU A 220 2.733 -6.130 -30.077 1.00 0.10 H \nATOM 3259 HD13 LEU A 220 3.080 -5.463 -28.446 1.00 0.10 H \nATOM 3260 H LEU A 220 4.413 -8.299 -24.832 1.00 0.27 H \nATOM 3261 N MET A 221 1.298 -7.681 -25.276 1.00 -0.42 N \nATOM 3262 CA MET A 221 -0.122 -7.621 -24.958 1.00 -0.02 C \nATOM 3263 C MET A 221 -0.445 -6.458 -24.044 1.00 0.60 C \nATOM 3264 O MET A 221 -1.391 -5.706 -24.306 1.00 -0.57 O \nATOM 3265 CB MET A 221 -0.613 -8.916 -24.291 1.00 0.03 C \nATOM 3266 CG MET A 221 -1.146 -9.957 -25.265 1.00 0.00 C \nATOM 3267 SD MET A 221 -2.576 -9.433 -26.256 1.00 -0.27 S \nATOM 3268 CE MET A 221 -3.793 -9.065 -24.985 1.00 -0.05 C \nATOM 3269 HA MET A 221 -0.672 -7.485 -25.901 1.00 0.09 H \nATOM 3270 HB2 MET A 221 0.228 -9.360 -23.738 1.00 0.02 H \nATOM 3271 HB3 MET A 221 -1.418 -8.658 -23.588 1.00 0.02 H \nATOM 3272 HG2 MET A 221 -0.333 -10.224 -25.956 1.00 0.04 H \nATOM 3273 HG3 MET A 221 -1.441 -10.845 -24.686 1.00 0.04 H \nATOM 3274 HE1 MET A 221 -3.404 -8.278 -24.322 1.00 0.07 H \nATOM 3275 HE2 MET A 221 -4.724 -8.719 -25.458 1.00 0.07 H \nATOM 3276 HE3 MET A 221 -3.995 -9.973 -24.397 1.00 0.07 H \nATOM 3277 H MET A 221 1.817 -8.496 -25.020 1.00 0.27 H \nATOM 3278 N VAL A 222 0.307 -6.327 -22.953 1.00 -0.42 N \nATOM 3279 CA VAL A 222 0.043 -5.269 -21.996 1.00 -0.09 C \nATOM 3280 C VAL A 222 0.191 -3.903 -22.656 1.00 0.60 C \nATOM 3281 O VAL A 222 -0.640 -3.048 -22.438 1.00 -0.57 O \nATOM 3282 CB VAL A 222 0.925 -5.378 -20.752 1.00 0.30 C \nATOM 3283 CG1 VAL A 222 0.872 -4.092 -19.924 1.00 -0.32 C \nATOM 3284 CG2 VAL A 222 0.488 -6.589 -19.932 1.00 -0.32 C \nATOM 3285 HA VAL A 222 -1.002 -5.372 -21.668 1.00 0.10 H \nATOM 3286 HB VAL A 222 1.965 -5.533 -21.074 1.00 -0.03 H \nATOM 3287 HG11 VAL A 222 -0.165 -3.898 -19.614 1.00 0.08 H \nATOM 3288 HG12 VAL A 222 1.507 -4.204 -19.032 1.00 0.08 H \nATOM 3289 HG13 VAL A 222 1.237 -3.250 -20.531 1.00 0.08 H \nATOM 3290 HG21 VAL A 222 0.582 -7.499 -20.543 1.00 0.08 H \nATOM 3291 HG22 VAL A 222 1.126 -6.678 -19.041 1.00 0.08 H \nATOM 3292 HG23 VAL A 222 -0.560 -6.463 -19.622 1.00 0.08 H \nATOM 3293 H VAL A 222 1.061 -6.964 -22.792 1.00 0.27 H \nATOM 3294 N GLU A 223 1.236 -3.711 -23.451 1.00 -0.52 N \nATOM 3295 CA GLU A 223 1.449 -2.421 -24.138 1.00 0.04 C \nATOM 3296 C GLU A 223 0.280 -2.073 -25.022 1.00 0.54 C \nATOM 3297 O GLU A 223 -0.175 -0.941 -25.021 1.00 -0.58 O \nATOM 3298 CB GLU A 223 2.684 -2.439 -25.019 1.00 0.06 C \nATOM 3299 CG GLU A 223 3.975 -1.996 -24.368 1.00 0.01 C \nATOM 3300 CD GLU A 223 5.045 -1.764 -25.423 1.00 0.81 C \nATOM 3301 OE1 GLU A 223 5.875 -2.669 -25.618 1.00 -0.82 O \nATOM 3302 OE2 GLU A 223 5.013 -0.717 -26.108 1.00 -0.82 O \nATOM 3303 HA GLU A 223 1.567 -1.640 -23.372 1.00 0.11 H \nATOM 3304 HB2 GLU A 223 2.825 -3.469 -25.378 1.00 -0.02 H \nATOM 3305 HB3 GLU A 223 2.495 -1.775 -25.875 1.00 -0.02 H \nATOM 3306 HG2 GLU A 223 3.801 -1.061 -23.816 1.00 -0.04 H \nATOM 3307 HG3 GLU A 223 4.316 -2.775 -23.671 1.00 -0.04 H \nATOM 3308 H GLU A 223 1.892 -4.454 -23.588 1.00 0.29 H \nATOM 3309 N THR A 224 -0.205 -3.062 -25.759 1.00 -0.42 N \nATOM 3310 CA THR A 224 -1.283 -2.852 -26.709 1.00 -0.04 C \nATOM 3311 C THR A 224 -2.557 -2.511 -25.932 1.00 0.60 C \nATOM 3312 O THR A 224 -3.299 -1.595 -26.302 1.00 -0.57 O \nATOM 3313 CB THR A 224 -1.448 -4.092 -27.623 1.00 0.37 C \nATOM 3314 OG1 THR A 224 -0.191 -4.374 -28.248 1.00 -0.68 O \nATOM 3315 CG2 THR A 224 -2.513 -3.892 -28.718 1.00 -0.24 C \nATOM 3316 HA THR A 224 -1.029 -1.993 -27.348 1.00 0.10 H \nATOM 3317 HB THR A 224 -1.745 -4.948 -27.000 1.00 0.00 H \nATOM 3318 HG1 THR A 224 -0.281 -5.134 -28.811 1.00 0.41 H \nATOM 3319 HG23 THR A 224 -3.458 -4.356 -28.400 1.00 0.06 H \nATOM 3320 HG21 THR A 224 -2.671 -2.816 -28.884 1.00 0.06 H \nATOM 3321 HG22 THR A 224 -2.171 -4.361 -29.652 1.00 0.06 H \nATOM 3322 H THR A 224 0.182 -3.978 -25.658 1.00 0.27 H \nATOM 3323 N LEU A 225 -2.781 -3.227 -24.829 1.00 -0.42 N \nATOM 3324 CA LEU A 225 -4.019 -3.108 -24.086 1.00 -0.05 C \nATOM 3325 C LEU A 225 -4.095 -1.761 -23.392 1.00 0.60 C \nATOM 3326 O LEU A 225 -5.165 -1.138 -23.362 1.00 -0.57 O \nATOM 3327 CB LEU A 225 -4.180 -4.277 -23.096 1.00 -0.11 C \nATOM 3328 CG LEU A 225 -5.295 -4.236 -22.050 1.00 0.35 C \nATOM 3329 CD1 LEU A 225 -6.710 -4.250 -22.641 1.00 -0.41 C \nATOM 3330 CD2 LEU A 225 -5.104 -5.440 -21.141 1.00 -0.41 C \nATOM 3331 HA LEU A 225 -4.851 -3.162 -24.803 1.00 0.09 H \nATOM 3332 HB2 LEU A 225 -4.340 -5.184 -23.697 1.00 0.05 H \nATOM 3333 HB3 LEU A 225 -3.231 -4.363 -22.547 1.00 0.05 H \nATOM 3334 HG LEU A 225 -5.184 -3.314 -21.460 1.00 -0.04 H \nATOM 3335 HD21 LEU A 225 -4.114 -5.387 -20.665 1.00 0.10 H \nATOM 3336 HD22 LEU A 225 -5.884 -5.441 -20.365 1.00 0.10 H \nATOM 3337 HD23 LEU A 225 -5.177 -6.363 -21.735 1.00 0.10 H \nATOM 3338 HD11 LEU A 225 -6.849 -5.163 -23.238 1.00 0.10 H \nATOM 3339 HD12 LEU A 225 -7.448 -4.229 -21.826 1.00 0.10 H \nATOM 3340 HD13 LEU A 225 -6.848 -3.368 -23.283 1.00 0.10 H \nATOM 3341 H LEU A 225 -2.078 -3.861 -24.507 1.00 0.27 H \nATOM 3342 N VAL A 226 -2.967 -1.303 -22.856 1.00 -0.42 N \nATOM 3343 CA VAL A 226 -2.889 0.002 -22.221 1.00 -0.09 C \nATOM 3344 C VAL A 226 -3.231 1.127 -23.224 1.00 0.60 C \nATOM 3345 O VAL A 226 -4.013 2.048 -22.905 1.00 -0.57 O \nATOM 3346 CB VAL A 226 -1.492 0.235 -21.618 1.00 0.30 C \nATOM 3347 CG1 VAL A 226 -1.249 1.688 -21.289 1.00 -0.32 C \nATOM 3348 CG2 VAL A 226 -1.309 -0.627 -20.375 1.00 -0.32 C \nATOM 3349 HA VAL A 226 -3.627 0.031 -21.405 1.00 0.10 H \nATOM 3350 HB VAL A 226 -0.745 -0.072 -22.365 1.00 -0.03 H \nATOM 3351 HG11 VAL A 226 -2.004 2.032 -20.567 1.00 0.08 H \nATOM 3352 HG12 VAL A 226 -0.246 1.802 -20.853 1.00 0.08 H \nATOM 3353 HG13 VAL A 226 -1.320 2.289 -22.208 1.00 0.08 H \nATOM 3354 HG21 VAL A 226 -1.423 -1.687 -20.644 1.00 0.08 H \nATOM 3355 HG22 VAL A 226 -0.305 -0.461 -19.958 1.00 0.08 H \nATOM 3356 HG23 VAL A 226 -2.067 -0.355 -19.625 1.00 0.08 H \nATOM 3357 H VAL A 226 -2.147 -1.874 -22.891 1.00 0.27 H \nATOM 3358 N GLN A 227 -2.649 1.048 -24.410 1.00 -0.42 N \nATOM 3359 CA GLN A 227 -2.912 2.030 -25.493 1.00 -0.00 C \nATOM 3360 C GLN A 227 -4.398 1.992 -25.877 1.00 0.60 C \nATOM 3361 O GLN A 227 -5.022 3.029 -26.096 1.00 -0.57 O \nATOM 3362 CB GLN A 227 -2.049 1.708 -26.725 1.00 -0.00 C \nATOM 3363 CG GLN A 227 -2.308 2.584 -27.969 1.00 -0.06 C \nATOM 3364 CD GLN A 227 -1.819 4.007 -27.818 1.00 0.70 C \nATOM 3365 OE1 GLN A 227 -1.037 4.319 -26.925 1.00 -0.61 O \nATOM 3366 NE2 GLN A 227 -2.263 4.888 -28.728 1.00 -0.94 N \nATOM 3367 HA GLN A 227 -2.659 3.038 -25.132 1.00 0.09 H \nATOM 3368 HB2 GLN A 227 -0.994 1.829 -26.440 1.00 0.02 H \nATOM 3369 HB3 GLN A 227 -2.235 0.660 -27.004 1.00 0.02 H \nATOM 3370 HG2 GLN A 227 -1.794 2.129 -28.828 1.00 0.04 H \nATOM 3371 HG3 GLN A 227 -3.391 2.607 -28.159 1.00 0.04 H \nATOM 3372 HE22 GLN A 227 -1.974 5.844 -28.680 1.00 0.43 H \nATOM 3373 HE21 GLN A 227 -2.882 4.588 -29.454 1.00 0.43 H \nATOM 3374 H GLN A 227 -2.009 0.300 -24.583 1.00 0.27 H \nATOM 3375 N LYS A 228 -4.956 0.790 -25.956 1.00 -0.35 N \nATOM 3376 CA LYS A 228 -6.344 0.620 -26.340 1.00 -0.24 C \nATOM 3377 C LYS A 228 -7.278 1.213 -25.280 1.00 0.73 C \nATOM 3378 O LYS A 228 -8.202 1.918 -25.608 1.00 -0.59 O \nATOM 3379 CB LYS A 228 -6.635 -0.855 -26.548 1.00 -0.01 C \nATOM 3380 CG LYS A 228 -8.033 -1.160 -27.033 1.00 0.02 C \nATOM 3381 CD LYS A 228 -8.142 -2.590 -27.539 1.00 -0.05 C \nATOM 3382 CE LYS A 228 -7.399 -2.817 -28.845 1.00 -0.01 C \nATOM 3383 NZ LYS A 228 -8.174 -2.317 -30.008 1.00 -0.39 N \nATOM 3384 HA LYS A 228 -6.514 1.150 -27.289 1.00 0.14 H \nATOM 3385 HB2 LYS A 228 -5.922 -1.244 -27.290 1.00 0.04 H \nATOM 3386 HB3 LYS A 228 -6.484 -1.373 -25.589 1.00 0.04 H \nATOM 3387 HG2 LYS A 228 -8.740 -1.019 -26.202 1.00 0.01 H \nATOM 3388 HG3 LYS A 228 -8.287 -0.470 -27.851 1.00 0.01 H \nATOM 3389 HD2 LYS A 228 -7.725 -3.264 -26.777 1.00 0.06 H \nATOM 3390 HD3 LYS A 228 -9.205 -2.826 -27.695 1.00 0.06 H \nATOM 3391 HE2 LYS A 228 -6.435 -2.288 -28.804 1.00 0.11 H \nATOM 3392 HE3 LYS A 228 -7.221 -3.895 -28.972 1.00 0.11 H \nATOM 3393 HZ1 LYS A 228 -8.346 -1.330 -29.898 1.00 0.34 H \nATOM 3394 HZ2 LYS A 228 -7.649 -2.474 -30.854 1.00 0.34 H \nATOM 3395 HZ3 LYS A 228 -9.053 -2.807 -30.062 1.00 0.34 H \nATOM 3396 H LYS A 228 -4.406 -0.018 -25.746 1.00 0.27 H \nATOM 3397 N LEU A 229 -7.025 0.906 -24.009 1.00 -0.42 N \nATOM 3398 CA LEU A 229 -7.858 1.398 -22.920 1.00 -0.05 C \nATOM 3399 C LEU A 229 -7.771 2.907 -22.790 1.00 0.60 C \nATOM 3400 O LEU A 229 -8.740 3.550 -22.418 1.00 -0.57 O \nATOM 3401 CB LEU A 229 -7.419 0.778 -21.576 1.00 -0.11 C \nATOM 3402 CG LEU A 229 -7.623 -0.715 -21.363 1.00 0.35 C \nATOM 3403 CD1 LEU A 229 -6.954 -1.170 -20.071 1.00 -0.41 C \nATOM 3404 CD2 LEU A 229 -9.106 -1.020 -21.377 1.00 -0.41 C \nATOM 3405 HA LEU A 229 -8.901 1.116 -23.124 1.00 0.09 H \nATOM 3406 HB2 LEU A 229 -6.343 0.978 -21.462 1.00 0.05 H \nATOM 3407 HB3 LEU A 229 -7.975 1.298 -20.782 1.00 0.05 H \nATOM 3408 HG LEU A 229 -7.152 -1.255 -22.197 1.00 -0.04 H \nATOM 3409 HD21 LEU A 229 -9.534 -0.714 -22.343 1.00 0.10 H \nATOM 3410 HD22 LEU A 229 -9.260 -2.100 -21.234 1.00 0.10 H \nATOM 3411 HD23 LEU A 229 -9.601 -0.468 -20.565 1.00 0.10 H \nATOM 3412 HD11 LEU A 229 -7.384 -0.619 -19.222 1.00 0.10 H \nATOM 3413 HD12 LEU A 229 -7.122 -2.248 -19.931 1.00 0.10 H \nATOM 3414 HD13 LEU A 229 -5.874 -0.972 -20.128 1.00 0.10 H \nATOM 3415 H LEU A 229 -6.242 0.322 -23.796 1.00 0.27 H \nATOM 3416 N ALA A 230 -6.590 3.465 -23.021 1.00 -0.42 N \nATOM 3417 CA ALA A 230 -6.415 4.880 -22.854 1.00 0.03 C \nATOM 3418 C ALA A 230 -6.736 5.709 -24.107 1.00 0.60 C \nATOM 3419 O ALA A 230 -7.073 6.871 -23.956 1.00 -0.57 O \nATOM 3420 CB ALA A 230 -5.015 5.192 -22.364 1.00 -0.18 C \nATOM 3421 HA ALA A 230 -7.120 5.197 -22.072 1.00 0.08 H \nATOM 3422 HB1 ALA A 230 -4.903 6.280 -22.243 1.00 0.06 H \nATOM 3423 HB2 ALA A 230 -4.846 4.696 -21.397 1.00 0.06 H \nATOM 3424 HB3 ALA A 230 -4.280 4.827 -23.097 1.00 0.06 H \nATOM 3425 H ALA A 230 -5.819 2.898 -23.312 1.00 0.27 H \nATOM 3426 N HIS A 231 -6.647 5.132 -25.315 1.00 -0.42 N \nATOM 3427 CA HIS A 231 -6.650 5.930 -26.580 1.00 0.02 C \nATOM 3428 C HIS A 231 -7.574 5.387 -27.691 1.00 0.60 C \nATOM 3429 O HIS A 231 -8.192 4.329 -27.544 1.00 -0.57 O \nATOM 3430 CB HIS A 231 -5.221 6.071 -27.136 1.00 -0.05 C \nATOM 3431 CG HIS A 231 -4.270 6.758 -26.202 1.00 -0.03 C \nATOM 3432 ND1 HIS A 231 -4.319 8.111 -25.951 1.00 -0.38 N \nATOM 3433 CD2 HIS A 231 -3.235 6.280 -25.468 1.00 0.13 C \nATOM 3434 CE1 HIS A 231 -3.364 8.438 -25.097 1.00 0.21 C \nATOM 3435 NE2 HIS A 231 -2.693 7.345 -24.785 1.00 -0.57 N \nATOM 3436 HA HIS A 231 -7.013 6.935 -26.321 1.00 0.09 H \nATOM 3437 HB2 HIS A 231 -4.831 5.065 -27.348 1.00 0.04 H \nATOM 3438 HB3 HIS A 231 -5.268 6.650 -28.070 1.00 0.04 H \nATOM 3439 HD2 HIS A 231 -2.896 5.246 -25.427 1.00 0.11 H \nATOM 3440 HE1 HIS A 231 -3.165 9.439 -24.716 1.00 0.14 H \nATOM 3441 HD1 HIS A 231 -4.996 8.768 -26.365 1.00 0.36 H \nATOM 3442 H HIS A 231 -6.576 4.136 -25.371 1.00 0.27 H \nTER 3443 HIS A 231 \nATOM 3444 N LEU B -6 11.925 -1.409 21.480 1.00 -0.82 N \nATOM 3445 CA LEU B -6 10.596 -1.572 20.811 1.00 0.04 C \nATOM 3446 C LEU B -6 9.906 -0.248 20.481 1.00 0.62 C \nATOM 3447 O LEU B -6 9.138 -0.166 19.516 1.00 -0.50 O \nATOM 3448 CB LEU B -6 9.666 -2.433 21.669 1.00 -0.06 C \nATOM 3449 CG LEU B -6 10.067 -3.896 21.821 1.00 -0.01 C \nATOM 3450 CD1 LEU B -6 9.005 -4.632 22.619 1.00 -0.11 C \nATOM 3451 CD2 LEU B -6 10.295 -4.578 20.471 1.00 -0.11 C \nATOM 3452 HA LEU B -6 10.771 -2.099 19.861 1.00 0.05 H \nATOM 3453 HB2 LEU B -6 9.626 -1.988 22.674 1.00 0.03 H \nATOM 3454 HB3 LEU B -6 8.665 -2.403 21.215 1.00 0.03 H \nATOM 3455 HG LEU B -6 11.012 -3.934 22.382 1.00 0.03 H \nATOM 3456 HD21 LEU B -6 11.092 -4.052 19.925 1.00 0.03 H \nATOM 3457 HD22 LEU B -6 10.591 -5.625 20.634 1.00 0.03 H \nATOM 3458 HD23 LEU B -6 9.366 -4.547 19.883 1.00 0.03 H \nATOM 3459 HD11 LEU B -6 8.039 -4.560 22.098 1.00 0.03 H \nATOM 3460 HD12 LEU B -6 9.289 -5.690 22.720 1.00 0.03 H \nATOM 3461 HD13 LEU B -6 8.917 -4.179 23.618 1.00 0.03 H \nATOM 3462 H LEU B -6 12.295 -0.494 21.640 1.00 0.30 H \nATOM 3463 HNCA LEU B -6 12.453 -2.231 21.773 1.00 0.30 H \nATOM 3464 N VAL B -5 10.170 0.780 21.285 1.00 -0.42 N \nATOM 3465 CA VAL B -5 9.603 2.118 21.056 1.00 -0.09 C \nATOM 3466 C VAL B -5 10.707 3.182 21.181 1.00 0.60 C \nATOM 3467 O VAL B -5 11.532 3.103 22.087 1.00 -0.57 O \nATOM 3468 CB VAL B -5 8.449 2.406 22.048 1.00 0.30 C \nATOM 3469 CG1 VAL B -5 8.913 2.293 23.492 1.00 -0.32 C \nATOM 3470 CG2 VAL B -5 7.850 3.778 21.801 1.00 -0.32 C \nATOM 3471 HA VAL B -5 9.197 2.154 20.034 1.00 0.10 H \nATOM 3472 HB VAL B -5 7.664 1.653 21.882 1.00 -0.03 H \nATOM 3473 HG11 VAL B -5 9.726 3.011 23.673 1.00 0.08 H \nATOM 3474 HG12 VAL B -5 8.072 2.513 24.166 1.00 0.08 H \nATOM 3475 HG13 VAL B -5 9.277 1.272 23.681 1.00 0.08 H \nATOM 3476 HG21 VAL B -5 7.464 3.830 20.772 1.00 0.08 H \nATOM 3477 HG22 VAL B -5 7.028 3.952 22.511 1.00 0.08 H \nATOM 3478 HG23 VAL B -5 8.624 4.547 21.941 1.00 0.08 H \nATOM 3479 H VAL B -5 10.773 0.638 22.070 1.00 0.27 H \nATOM 3480 N PRO B -4 10.742 4.167 20.263 1.00 -0.25 N \nATOM 3481 CA PRO B -4 11.774 5.182 20.461 1.00 -0.03 C \nATOM 3482 C PRO B -4 11.504 6.068 21.691 1.00 0.59 C \nATOM 3483 O PRO B -4 10.346 6.368 22.024 1.00 -0.57 O \nATOM 3484 CB PRO B -4 11.725 5.993 19.170 1.00 -0.01 C \nATOM 3485 CG PRO B -4 10.366 5.765 18.622 1.00 0.02 C \nATOM 3486 CD PRO B -4 9.996 4.375 19.008 1.00 0.02 C \nATOM 3487 HA PRO B -4 12.758 4.706 20.579 1.00 0.06 H \nATOM 3488 HD3 PRO B -4 10.309 3.655 18.238 1.00 0.04 H \nATOM 3489 HD2 PRO B -4 8.912 4.286 19.173 1.00 0.04 H \nATOM 3490 HG3 PRO B -4 10.373 5.869 17.527 1.00 0.02 H \nATOM 3491 HG2 PRO B -4 9.654 6.484 19.054 1.00 0.02 H \nATOM 3492 HB2 PRO B -4 11.883 7.061 19.379 1.00 0.03 H \nATOM 3493 HB3 PRO B -4 12.491 5.640 18.463 1.00 0.03 H \nATOM 3494 N ARG B -3 12.584 6.451 22.359 1.00 -0.35 N \nATOM 3495 CA ARG B -3 12.531 7.311 23.530 1.00 -0.26 C \nATOM 3496 C ARG B -3 11.657 8.567 23.322 1.00 0.73 C \nATOM 3497 O ARG B -3 11.539 9.104 22.204 1.00 -0.59 O \nATOM 3498 CB ARG B -3 13.955 7.715 23.934 1.00 -0.00 C \nATOM 3499 CG ARG B -3 14.748 8.436 22.844 1.00 0.04 C \nATOM 3500 CD ARG B -3 16.185 8.711 23.283 1.00 0.05 C \nATOM 3501 NE ARG B -3 17.139 8.364 22.228 1.00 -0.53 N \nATOM 3502 CZ ARG B -3 17.529 9.162 21.235 1.00 0.81 C \nATOM 3503 NH1 ARG B -3 17.075 10.399 21.133 1.00 -0.86 N \nATOM 3504 NH2 ARG B -3 18.397 8.713 20.331 1.00 -0.86 N \nATOM 3505 HA ARG B -3 12.089 6.730 24.353 1.00 0.16 H \nATOM 3506 HB2 ARG B -3 13.888 8.382 24.806 1.00 0.03 H \nATOM 3507 HB3 ARG B -3 14.504 6.803 24.211 1.00 0.03 H \nATOM 3508 HG2 ARG B -3 14.765 7.809 21.940 1.00 0.03 H \nATOM 3509 HG3 ARG B -3 14.255 9.393 22.617 1.00 0.03 H \nATOM 3510 HD2 ARG B -3 16.288 9.780 23.522 1.00 0.07 H \nATOM 3511 HD3 ARG B -3 16.407 8.112 24.178 1.00 0.07 H \nATOM 3512 HE ARG B -3 17.545 7.418 22.256 1.00 0.35 H \nATOM 3513 HH12 ARG B -3 17.389 11.000 20.358 1.00 0.45 H \nATOM 3514 HH11 ARG B -3 16.408 10.762 21.829 1.00 0.45 H \nATOM 3515 HH22 ARG B -3 18.702 9.326 19.561 1.00 0.45 H \nATOM 3516 HH21 ARG B -3 18.764 7.753 20.401 1.00 0.45 H \nATOM 3517 H ARG B -3 13.478 6.133 22.042 1.00 0.27 H \nATOM 3518 N GLY B -2 11.051 9.027 24.414 1.00 -0.42 N \nATOM 3519 CA GLY B -2 10.182 10.194 24.376 1.00 -0.03 C \nATOM 3520 C GLY B -2 8.882 9.989 23.623 1.00 0.60 C \nATOM 3521 O GLY B -2 8.331 10.946 23.105 1.00 -0.57 O \nATOM 3522 HA3 GLY B -2 9.938 10.474 25.411 1.00 0.07 H \nATOM 3523 HA2 GLY B -2 10.732 11.016 23.894 1.00 0.07 H \nATOM 3524 H GLY B -2 11.197 8.558 25.285 1.00 0.27 H \nATOM 3525 N SER B -1 8.395 8.747 23.544 1.00 -0.42 N \nATOM 3526 CA SER B -1 7.086 8.492 22.957 1.00 -0.02 C \nATOM 3527 C SER B -1 6.330 7.342 23.632 1.00 0.60 C \nATOM 3528 O SER B -1 6.884 6.577 24.421 1.00 -0.57 O \nATOM 3529 CB SER B -1 7.208 8.260 21.450 1.00 0.21 C \nATOM 3530 OG SER B -1 7.699 6.975 21.182 1.00 -0.65 O \nATOM 3531 HA SER B -1 6.484 9.401 23.104 1.00 0.08 H \nATOM 3532 HB2 SER B -1 6.217 8.371 20.987 1.00 0.04 H \nATOM 3533 HB3 SER B -1 7.897 9.005 21.025 1.00 0.04 H \nATOM 3534 HG SER B -1 7.767 6.852 20.243 1.00 0.43 H \nATOM 3535 H SER B -1 8.937 7.982 23.893 1.00 0.27 H \nATOM 3536 N HIS B 0 5.041 7.254 23.332 1.00 -0.42 N \nATOM 3537 CA HIS B 0 4.207 6.166 23.822 1.00 0.02 C \nATOM 3538 C HIS B 0 4.184 5.091 22.730 1.00 0.60 C \nATOM 3539 O HIS B 0 4.326 5.414 21.557 1.00 -0.57 O \nATOM 3540 CB HIS B 0 2.790 6.652 24.074 1.00 -0.05 C \nATOM 3541 CG HIS B 0 2.682 7.663 25.176 1.00 -0.03 C \nATOM 3542 ND1 HIS B 0 2.361 7.322 26.468 1.00 -0.38 N \nATOM 3543 CD2 HIS B 0 2.838 9.004 25.172 1.00 0.13 C \nATOM 3544 CE1 HIS B 0 2.334 8.407 27.218 1.00 0.21 C \nATOM 3545 NE2 HIS B 0 2.627 9.443 26.457 1.00 -0.57 N \nATOM 3546 HA HIS B 0 4.628 5.757 24.752 1.00 0.09 H \nATOM 3547 HB2 HIS B 0 2.410 7.107 23.148 1.00 0.04 H \nATOM 3548 HB3 HIS B 0 2.168 5.784 24.338 1.00 0.04 H \nATOM 3549 HD2 HIS B 0 3.085 9.623 24.311 1.00 0.11 H \nATOM 3550 HE1 HIS B 0 2.108 8.441 28.283 1.00 0.14 H \nATOM 3551 HD1 HIS B 0 2.171 6.366 26.800 1.00 0.36 H \nATOM 3552 H HIS B 0 4.629 7.957 22.751 1.00 0.27 H \nATOM 3553 N MET B 1 4.022 3.830 23.100 1.00 -0.42 N \nATOM 3554 CA MET B 1 3.952 2.818 22.083 1.00 -0.02 C \nATOM 3555 C MET B 1 2.501 2.625 21.687 1.00 0.60 C \nATOM 3556 O MET B 1 1.573 2.898 22.456 1.00 -0.57 O \nATOM 3557 CB MET B 1 4.706 1.550 22.470 1.00 0.03 C \nATOM 3558 CG MET B 1 4.071 0.553 23.428 1.00 0.00 C \nATOM 3559 SD MET B 1 4.662 -1.110 22.980 1.00 -0.27 S \nATOM 3560 CE MET B 1 6.437 -0.938 23.067 1.00 -0.05 C \nATOM 3561 HA MET B 1 4.468 3.214 21.196 1.00 0.09 H \nATOM 3562 HB2 MET B 1 4.914 1.006 21.537 1.00 0.02 H \nATOM 3563 HB3 MET B 1 5.654 1.870 22.927 1.00 0.02 H \nATOM 3564 HG2 MET B 1 4.365 0.788 24.461 1.00 0.04 H \nATOM 3565 HG3 MET B 1 2.975 0.596 23.340 1.00 0.04 H \nATOM 3566 HE1 MET B 1 6.727 -0.635 24.084 1.00 0.07 H \nATOM 3567 HE2 MET B 1 6.911 -1.900 22.822 1.00 0.07 H \nATOM 3568 HE3 MET B 1 6.767 -0.173 22.349 1.00 0.07 H \nATOM 3569 H MET B 1 3.950 3.587 24.067 1.00 0.27 H \nATOM 3570 N LYS B 2 2.314 2.280 20.426 1.00 -0.35 N \nATOM 3571 CA LYS B 2 1.007 1.958 19.878 1.00 -0.24 C \nATOM 3572 C LYS B 2 1.110 0.520 19.424 1.00 0.73 C \nATOM 3573 O LYS B 2 2.033 0.156 18.668 1.00 -0.59 O \nATOM 3574 CB LYS B 2 0.686 2.855 18.698 1.00 -0.01 C \nATOM 3575 CG LYS B 2 -0.601 2.487 17.994 1.00 0.02 C \nATOM 3576 CD LYS B 2 -0.799 3.283 16.719 1.00 -0.05 C \nATOM 3577 CE LYS B 2 -1.117 4.745 16.973 1.00 -0.01 C \nATOM 3578 NZ LYS B 2 -1.397 5.448 15.684 1.00 -0.39 N \nATOM 3579 HA LYS B 2 0.228 2.067 20.647 1.00 0.14 H \nATOM 3580 HB2 LYS B 2 0.601 3.890 19.060 1.00 0.04 H \nATOM 3581 HB3 LYS B 2 1.511 2.786 17.974 1.00 0.04 H \nATOM 3582 HG2 LYS B 2 -0.575 1.416 17.744 1.00 0.01 H \nATOM 3583 HG3 LYS B 2 -1.445 2.685 18.671 1.00 0.01 H \nATOM 3584 HD2 LYS B 2 0.123 3.224 16.123 1.00 0.06 H \nATOM 3585 HD3 LYS B 2 -1.630 2.837 16.153 1.00 0.06 H \nATOM 3586 HE2 LYS B 2 -2.001 4.816 17.624 1.00 0.11 H \nATOM 3587 HE3 LYS B 2 -0.258 5.222 17.467 1.00 0.11 H \nATOM 3588 HZ1 LYS B 2 -2.179 5.009 15.225 1.00 0.34 H \nATOM 3589 HZ2 LYS B 2 -1.616 6.414 15.869 1.00 0.34 H \nATOM 3590 HZ3 LYS B 2 -0.585 5.395 15.089 1.00 0.34 H \nATOM 3591 H LYS B 2 3.109 2.238 19.820 1.00 0.27 H \nATOM 3592 N ILE B 3 0.197 -0.308 19.913 1.00 -0.42 N \nATOM 3593 CA ILE B 3 0.269 -1.715 19.657 1.00 -0.06 C \nATOM 3594 C ILE B 3 -0.769 -2.074 18.629 1.00 0.60 C \nATOM 3595 O ILE B 3 -1.950 -1.758 18.771 1.00 -0.57 O \nATOM 3596 CB ILE B 3 0.076 -2.531 20.948 1.00 0.13 C \nATOM 3597 CG1 ILE B 3 1.034 -1.994 22.006 1.00 -0.04 C \nATOM 3598 CG2 ILE B 3 0.301 -4.009 20.681 1.00 -0.32 C \nATOM 3599 CD1 ILE B 3 1.299 -2.906 23.182 1.00 -0.07 C \nATOM 3600 HA ILE B 3 1.264 -1.948 19.249 1.00 0.09 H \nATOM 3601 HB ILE B 3 -0.956 -2.397 21.305 1.00 0.02 H \nATOM 3602 HG12 ILE B 3 1.997 -1.789 21.515 1.00 0.02 H \nATOM 3603 HG13 ILE B 3 0.613 -1.055 22.396 1.00 0.02 H \nATOM 3604 HD11 ILE B 3 1.727 -3.853 22.822 1.00 0.02 H \nATOM 3605 HD12 ILE B 3 2.007 -2.421 23.870 1.00 0.02 H \nATOM 3606 HD13 ILE B 3 0.355 -3.108 23.710 1.00 0.02 H \nATOM 3607 HG21 ILE B 3 1.322 -4.162 20.301 1.00 0.09 H \nATOM 3608 HG22 ILE B 3 0.169 -4.575 21.615 1.00 0.09 H \nATOM 3609 HG23 ILE B 3 -0.425 -4.361 19.934 1.00 0.09 H \nATOM 3610 H ILE B 3 -0.552 0.055 20.468 1.00 0.27 H \nATOM 3611 N GLY B 4 -0.315 -2.743 17.578 1.00 -0.42 N \nATOM 3612 CA GLY B 4 -1.205 -3.313 16.577 1.00 -0.03 C \nATOM 3613 C GLY B 4 -1.627 -4.712 17.001 1.00 0.60 C \nATOM 3614 O GLY B 4 -0.790 -5.496 17.455 1.00 -0.57 O \nATOM 3615 HA3 GLY B 4 -2.097 -2.677 16.476 1.00 0.07 H \nATOM 3616 HA2 GLY B 4 -0.682 -3.366 15.611 1.00 0.07 H \nATOM 3617 H GLY B 4 0.672 -2.860 17.469 1.00 0.27 H \nATOM 3618 N ILE B 5 -2.929 -5.006 16.883 1.00 -0.42 N \nATOM 3619 CA ILE B 5 -3.487 -6.311 17.226 1.00 -0.06 C \nATOM 3620 C ILE B 5 -4.371 -6.762 16.074 1.00 0.60 C \nATOM 3621 O ILE B 5 -5.297 -6.039 15.666 1.00 -0.57 O \nATOM 3622 CB ILE B 5 -4.327 -6.301 18.519 1.00 0.13 C \nATOM 3623 CG1 ILE B 5 -3.530 -5.648 19.677 1.00 -0.04 C \nATOM 3624 CG2 ILE B 5 -4.722 -7.723 18.875 1.00 -0.32 C \nATOM 3625 CD1 ILE B 5 -4.373 -5.132 20.845 1.00 -0.07 C \nATOM 3626 HA ILE B 5 -2.659 -7.023 17.355 1.00 0.09 H \nATOM 3627 HB ILE B 5 -5.240 -5.712 18.346 1.00 0.02 H \nATOM 3628 HG12 ILE B 5 -2.828 -6.398 20.071 1.00 0.02 H \nATOM 3629 HG13 ILE B 5 -2.966 -4.798 19.264 1.00 0.02 H \nATOM 3630 HD11 ILE B 5 -4.944 -5.965 21.281 1.00 0.02 H \nATOM 3631 HD12 ILE B 5 -3.713 -4.700 21.611 1.00 0.02 H \nATOM 3632 HD13 ILE B 5 -5.068 -4.360 20.483 1.00 0.02 H \nATOM 3633 HG21 ILE B 5 -3.816 -8.330 19.020 1.00 0.09 H \nATOM 3634 HG22 ILE B 5 -5.313 -7.718 19.803 1.00 0.09 H \nATOM 3635 HG23 ILE B 5 -5.323 -8.151 18.060 1.00 0.09 H \nATOM 3636 H ILE B 5 -3.548 -4.298 16.544 1.00 0.27 H \nATOM 3637 N ILE B 6 -4.049 -7.924 15.524 1.00 -0.42 N \nATOM 3638 CA ILE B 6 -4.751 -8.450 14.351 1.00 -0.06 C \nATOM 3639 C ILE B 6 -5.415 -9.751 14.700 1.00 0.60 C \nATOM 3640 O ILE B 6 -4.783 -10.675 15.235 1.00 -0.57 O \nATOM 3641 CB ILE B 6 -3.812 -8.696 13.169 1.00 0.13 C \nATOM 3642 CG1 ILE B 6 -3.093 -7.389 12.834 1.00 -0.04 C \nATOM 3643 CG2 ILE B 6 -4.613 -9.280 11.972 1.00 -0.32 C \nATOM 3644 CD1 ILE B 6 -2.026 -7.519 11.778 1.00 -0.07 C \nATOM 3645 HA ILE B 6 -5.517 -7.721 14.048 1.00 0.09 H \nATOM 3646 HB ILE B 6 -3.055 -9.438 13.464 1.00 0.02 H \nATOM 3647 HG12 ILE B 6 -3.842 -6.665 12.479 1.00 0.02 H \nATOM 3648 HG13 ILE B 6 -2.623 -7.009 13.753 1.00 0.02 H \nATOM 3649 HD11 ILE B 6 -2.475 -7.895 10.847 1.00 0.02 H \nATOM 3650 HD12 ILE B 6 -1.571 -6.535 11.594 1.00 0.02 H \nATOM 3651 HD13 ILE B 6 -1.253 -8.222 12.122 1.00 0.02 H \nATOM 3652 HG21 ILE B 6 -5.402 -8.572 11.679 1.00 0.09 H \nATOM 3653 HG22 ILE B 6 -3.934 -9.445 11.122 1.00 0.09 H \nATOM 3654 HG23 ILE B 6 -5.069 -10.236 12.268 1.00 0.09 H \nATOM 3655 H ILE B 6 -3.303 -8.458 15.922 1.00 0.27 H \nATOM 3656 N GLY B 7 -6.705 -9.797 14.408 1.00 -0.42 N \nATOM 3657 CA GLY B 7 -7.474 -11.023 14.496 1.00 -0.03 C \nATOM 3658 C GLY B 7 -8.211 -11.245 13.196 1.00 0.60 C \nATOM 3659 O GLY B 7 -8.608 -10.273 12.504 1.00 -0.57 O \nATOM 3660 HA3 GLY B 7 -6.796 -11.869 14.683 1.00 0.07 H \nATOM 3661 HA2 GLY B 7 -8.198 -10.944 15.320 1.00 0.07 H \nATOM 3662 H GLY B 7 -7.165 -8.958 14.117 1.00 0.27 H \nATOM 3663 N ALA B 8 -8.411 -12.524 12.866 1.00 -0.42 N \nATOM 3664 CA ALA B 8 -9.010 -12.897 11.609 1.00 0.03 C \nATOM 3665 C ALA B 8 -10.536 -12.777 11.651 1.00 0.60 C \nATOM 3666 O ALA B 8 -11.126 -12.161 10.765 1.00 -0.57 O \nATOM 3667 CB ALA B 8 -8.583 -14.294 11.184 1.00 -0.18 C \nATOM 3668 HA ALA B 8 -8.644 -12.192 10.848 1.00 0.08 H \nATOM 3669 HB1 ALA B 8 -9.057 -14.546 10.224 1.00 0.06 H \nATOM 3670 HB2 ALA B 8 -7.489 -14.325 11.072 1.00 0.06 H \nATOM 3671 HB3 ALA B 8 -8.894 -15.021 11.949 1.00 0.06 H \nATOM 3672 H ALA B 8 -8.138 -13.241 13.507 1.00 0.27 H \nATOM 3673 N MET B 9 -11.156 -13.373 12.673 1.00 -0.42 N \nATOM 3674 CA MET B 9 -12.611 -13.432 12.777 1.00 -0.02 C \nATOM 3675 C MET B 9 -13.148 -12.440 13.795 1.00 0.60 C \nATOM 3676 O MET B 9 -12.488 -12.095 14.796 1.00 -0.57 O \nATOM 3677 CB MET B 9 -13.061 -14.833 13.191 1.00 0.03 C \nATOM 3678 CG MET B 9 -12.719 -15.939 12.194 1.00 0.00 C \nATOM 3679 SD MET B 9 -12.888 -17.522 13.057 1.00 -0.27 S \nATOM 3680 CE MET B 9 -14.660 -17.727 12.946 1.00 -0.05 C \nATOM 3681 HA MET B 9 -13.038 -13.194 11.792 1.00 0.09 H \nATOM 3682 HB2 MET B 9 -12.581 -15.077 14.150 1.00 0.02 H \nATOM 3683 HB3 MET B 9 -14.153 -14.817 13.322 1.00 0.02 H \nATOM 3684 HG2 MET B 9 -13.411 -15.901 11.340 1.00 0.04 H \nATOM 3685 HG3 MET B 9 -11.686 -15.815 11.835 1.00 0.04 H \nATOM 3686 HE1 MET B 9 -14.962 -17.744 11.888 1.00 0.07 H \nATOM 3687 HE2 MET B 9 -14.950 -18.673 13.426 1.00 0.07 H \nATOM 3688 HE3 MET B 9 -15.159 -16.889 13.456 1.00 0.07 H \nATOM 3689 H MET B 9 -10.604 -13.794 13.393 1.00 0.27 H \nATOM 3690 N GLU B 10 -14.376 -12.000 13.538 1.00 -0.52 N \nATOM 3691 CA GLU B 10 -15.063 -11.147 14.478 1.00 0.04 C \nATOM 3692 C GLU B 10 -15.109 -11.767 15.882 1.00 0.54 C \nATOM 3693 O GLU B 10 -14.894 -11.069 16.903 1.00 -0.58 O \nATOM 3694 CB GLU B 10 -16.467 -10.803 13.983 1.00 0.06 C \nATOM 3695 CG GLU B 10 -17.077 -9.714 14.829 1.00 0.01 C \nATOM 3696 CD GLU B 10 -18.431 -9.242 14.342 1.00 0.81 C \nATOM 3697 OE1 GLU B 10 -18.952 -8.363 15.050 1.00 -0.82 O \nATOM 3698 OE2 GLU B 10 -18.951 -9.685 13.271 1.00 -0.82 O \nATOM 3699 HA GLU B 10 -14.495 -10.208 14.549 1.00 0.11 H \nATOM 3700 HB2 GLU B 10 -16.408 -10.460 12.940 1.00 -0.02 H \nATOM 3701 HB3 GLU B 10 -17.100 -11.701 14.039 1.00 -0.02 H \nATOM 3702 HG2 GLU B 10 -17.192 -10.096 15.854 1.00 -0.04 H \nATOM 3703 HG3 GLU B 10 -16.392 -8.854 14.833 1.00 -0.04 H \nATOM 3704 H GLU B 10 -14.828 -12.263 12.685 1.00 0.29 H \nATOM 3705 N GLU B 11 -15.382 -13.067 15.934 1.00 -0.52 N \nATOM 3706 CA GLU B 11 -15.359 -13.838 17.183 1.00 0.04 C \nATOM 3707 C GLU B 11 -14.028 -13.691 17.912 1.00 0.54 C \nATOM 3708 O GLU B 11 -13.990 -13.606 19.149 1.00 -0.58 O \nATOM 3709 CB GLU B 11 -15.614 -15.314 16.897 1.00 0.06 C \nATOM 3710 CG GLU B 11 -17.044 -15.649 16.462 1.00 0.01 C \nATOM 3711 CD GLU B 11 -17.389 -15.481 14.962 1.00 0.81 C \nATOM 3712 OE1 GLU B 11 -16.655 -14.806 14.180 1.00 -0.82 O \nATOM 3713 OE2 GLU B 11 -18.472 -16.017 14.557 1.00 -0.82 O \nATOM 3714 HA GLU B 11 -16.159 -13.460 17.837 1.00 0.11 H \nATOM 3715 HB2 GLU B 11 -14.930 -15.630 16.095 1.00 -0.02 H \nATOM 3716 HB3 GLU B 11 -15.393 -15.883 17.812 1.00 -0.02 H \nATOM 3717 HG2 GLU B 11 -17.233 -16.699 16.729 1.00 -0.04 H \nATOM 3718 HG3 GLU B 11 -17.724 -14.998 17.032 1.00 -0.04 H \nATOM 3719 H GLU B 11 -15.613 -13.541 15.084 1.00 0.29 H \nATOM 3720 N GLU B 12 -12.931 -13.653 17.156 1.00 -0.52 N \nATOM 3721 CA GLU B 12 -11.624 -13.491 17.779 1.00 0.04 C \nATOM 3722 C GLU B 12 -11.316 -12.072 18.305 1.00 0.54 C \nATOM 3723 O GLU B 12 -10.452 -11.929 19.163 1.00 -0.58 O \nATOM 3724 CB GLU B 12 -10.529 -13.971 16.832 1.00 0.06 C \nATOM 3725 CG GLU B 12 -10.614 -15.477 16.516 1.00 0.01 C \nATOM 3726 CD GLU B 12 -9.772 -15.880 15.330 1.00 0.81 C \nATOM 3727 OE1 GLU B 12 -9.689 -15.098 14.360 1.00 -0.82 O \nATOM 3728 OE2 GLU B 12 -9.186 -16.972 15.355 1.00 -0.82 O \nATOM 3729 HA GLU B 12 -11.612 -14.155 18.656 1.00 0.11 H \nATOM 3730 HB2 GLU B 12 -10.613 -13.411 15.889 1.00 -0.02 H \nATOM 3731 HB3 GLU B 12 -9.552 -13.766 17.295 1.00 -0.02 H \nATOM 3732 HG2 GLU B 12 -10.271 -16.040 17.397 1.00 -0.04 H \nATOM 3733 HG3 GLU B 12 -11.663 -15.732 16.304 1.00 -0.04 H \nATOM 3734 H GLU B 12 -13.005 -13.736 16.162 1.00 0.29 H \nATOM 3735 N VAL B 13 -12.006 -11.039 17.822 1.00 -0.42 N \nATOM 3736 CA VAL B 13 -11.700 -9.642 18.217 1.00 -0.09 C \nATOM 3737 C VAL B 13 -12.770 -8.953 19.067 1.00 0.60 C \nATOM 3738 O VAL B 13 -12.506 -7.919 19.681 1.00 -0.57 O \nATOM 3739 CB VAL B 13 -11.390 -8.729 16.996 1.00 0.30 C \nATOM 3740 CG1 VAL B 13 -10.262 -9.303 16.169 1.00 -0.32 C \nATOM 3741 CG2 VAL B 13 -12.594 -8.528 16.119 1.00 -0.32 C \nATOM 3742 HA VAL B 13 -10.788 -9.693 18.830 1.00 0.10 H \nATOM 3743 HB VAL B 13 -11.076 -7.747 17.379 1.00 -0.03 H \nATOM 3744 HG11 VAL B 13 -10.543 -10.305 15.811 1.00 0.08 H \nATOM 3745 HG12 VAL B 13 -10.068 -8.647 15.308 1.00 0.08 H \nATOM 3746 HG13 VAL B 13 -9.355 -9.375 16.787 1.00 0.08 H \nATOM 3747 HG21 VAL B 13 -13.402 -8.066 16.706 1.00 0.08 H \nATOM 3748 HG22 VAL B 13 -12.329 -7.870 15.278 1.00 0.08 H \nATOM 3749 HG23 VAL B 13 -12.932 -9.500 15.731 1.00 0.08 H \nATOM 3750 H VAL B 13 -12.750 -11.210 17.176 1.00 0.27 H \nATOM 3751 N THR B 14 -13.954 -9.546 19.143 1.00 -0.42 N \nATOM 3752 CA THR B 14 -15.078 -8.876 19.743 1.00 -0.04 C \nATOM 3753 C THR B 14 -14.867 -8.519 21.228 1.00 0.60 C \nATOM 3754 O THR B 14 -15.250 -7.437 21.653 1.00 -0.57 O \nATOM 3755 CB THR B 14 -16.395 -9.658 19.518 1.00 0.37 C \nATOM 3756 OG1 THR B 14 -17.493 -8.787 19.815 1.00 -0.68 O \nATOM 3757 CG2 THR B 14 -16.469 -10.908 20.362 1.00 -0.24 C \nATOM 3758 HA THR B 14 -15.186 -7.920 19.210 1.00 0.10 H \nATOM 3759 HB THR B 14 -16.450 -9.955 18.460 1.00 0.00 H \nATOM 3760 HG1 THR B 14 -18.311 -9.252 19.682 1.00 0.41 H \nATOM 3761 HG23 THR B 14 -16.179 -11.778 19.755 1.00 0.06 H \nATOM 3762 HG21 THR B 14 -15.784 -10.814 21.218 1.00 0.06 H \nATOM 3763 HG22 THR B 14 -17.497 -11.043 20.729 1.00 0.06 H \nATOM 3764 H THR B 14 -14.067 -10.470 18.779 1.00 0.27 H \nATOM 3765 N LEU B 15 -14.240 -9.394 22.001 1.00 -0.42 N \nATOM 3766 CA LEU B 15 -14.011 -9.101 23.420 1.00 -0.05 C \nATOM 3767 C LEU B 15 -13.073 -7.907 23.612 1.00 0.60 C \nATOM 3768 O LEU B 15 -13.311 -7.027 24.455 1.00 -0.57 O \nATOM 3769 CB LEU B 15 -13.458 -10.344 24.140 1.00 -0.11 C \nATOM 3770 CG LEU B 15 -14.463 -11.475 24.364 1.00 0.35 C \nATOM 3771 CD1 LEU B 15 -13.755 -12.661 24.988 1.00 -0.41 C \nATOM 3772 CD2 LEU B 15 -15.604 -11.023 25.275 1.00 -0.41 C \nATOM 3773 HA LEU B 15 -14.980 -8.845 23.873 1.00 0.09 H \nATOM 3774 HB2 LEU B 15 -12.627 -10.742 23.539 1.00 0.05 H \nATOM 3775 HB3 LEU B 15 -13.080 -10.026 25.123 1.00 0.05 H \nATOM 3776 HG LEU B 15 -14.882 -11.775 23.392 1.00 -0.04 H \nATOM 3777 HD21 LEU B 15 -16.121 -10.166 24.818 1.00 0.10 H \nATOM 3778 HD22 LEU B 15 -16.315 -11.851 25.410 1.00 0.10 H \nATOM 3779 HD23 LEU B 15 -15.197 -10.726 26.253 1.00 0.10 H \nATOM 3780 HD11 LEU B 15 -13.309 -12.359 25.947 1.00 0.10 H \nATOM 3781 HD12 LEU B 15 -14.479 -13.472 25.159 1.00 0.10 H \nATOM 3782 HD13 LEU B 15 -12.963 -13.013 24.311 1.00 0.10 H \nATOM 3783 H LEU B 15 -13.921 -10.259 21.615 1.00 0.27 H \nATOM 3784 N LEU B 16 -12.001 -7.895 22.827 1.00 -0.42 N \nATOM 3785 CA LEU B 16 -11.027 -6.820 22.841 1.00 -0.05 C \nATOM 3786 C LEU B 16 -11.660 -5.530 22.380 1.00 0.60 C \nATOM 3787 O LEU B 16 -11.450 -4.481 23.005 1.00 -0.57 O \nATOM 3788 CB LEU B 16 -9.798 -7.180 21.979 1.00 -0.11 C \nATOM 3789 CG LEU B 16 -8.797 -8.140 22.627 1.00 0.35 C \nATOM 3790 CD1 LEU B 16 -7.842 -8.750 21.585 1.00 -0.41 C \nATOM 3791 CD2 LEU B 16 -7.984 -7.452 23.721 1.00 -0.41 C \nATOM 3792 HA LEU B 16 -10.686 -6.681 23.877 1.00 0.09 H \nATOM 3793 HB2 LEU B 16 -10.160 -7.644 21.050 1.00 0.05 H \nATOM 3794 HB3 LEU B 16 -9.267 -6.247 21.740 1.00 0.05 H \nATOM 3795 HG LEU B 16 -9.369 -8.959 23.089 1.00 -0.04 H \nATOM 3796 HD21 LEU B 16 -8.663 -7.070 24.497 1.00 0.10 H \nATOM 3797 HD22 LEU B 16 -7.286 -8.175 24.168 1.00 0.10 H \nATOM 3798 HD23 LEU B 16 -7.417 -6.616 23.286 1.00 0.10 H \nATOM 3799 HD11 LEU B 16 -7.287 -7.945 21.080 1.00 0.10 H \nATOM 3800 HD12 LEU B 16 -7.133 -9.424 22.088 1.00 0.10 H \nATOM 3801 HD13 LEU B 16 -8.423 -9.316 20.842 1.00 0.10 H \nATOM 3802 H LEU B 16 -11.859 -8.660 22.199 1.00 0.27 H \nATOM 3803 N ARG B 17 -12.448 -5.613 21.307 1.00 -0.35 N \nATOM 3804 CA ARG B 17 -13.132 -4.458 20.751 1.00 -0.26 C \nATOM 3805 C ARG B 17 -13.977 -3.786 21.828 1.00 0.73 C \nATOM 3806 O ARG B 17 -14.027 -2.558 21.904 1.00 -0.59 O \nATOM 3807 CB ARG B 17 -14.028 -4.871 19.579 1.00 -0.00 C \nATOM 3808 CG ARG B 17 -15.011 -3.811 19.100 1.00 0.04 C \nATOM 3809 CD ARG B 17 -15.717 -4.267 17.818 1.00 0.05 C \nATOM 3810 NE ARG B 17 -16.526 -5.461 18.039 1.00 -0.53 N \nATOM 3811 CZ ARG B 17 -17.067 -6.205 17.067 1.00 0.81 C \nATOM 3812 NH1 ARG B 17 -16.928 -5.878 15.792 1.00 -0.86 N \nATOM 3813 NH2 ARG B 17 -17.777 -7.278 17.368 1.00 -0.86 N \nATOM 3814 HA ARG B 17 -12.380 -3.742 20.388 1.00 0.16 H \nATOM 3815 HB2 ARG B 17 -13.378 -5.137 18.733 1.00 0.03 H \nATOM 3816 HB3 ARG B 17 -14.606 -5.754 19.889 1.00 0.03 H \nATOM 3817 HG2 ARG B 17 -15.763 -3.635 19.883 1.00 0.03 H \nATOM 3818 HG3 ARG B 17 -14.466 -2.877 18.899 1.00 0.03 H \nATOM 3819 HD2 ARG B 17 -16.370 -3.456 17.463 1.00 0.07 H \nATOM 3820 HD3 ARG B 17 -14.958 -4.488 17.053 1.00 0.07 H \nATOM 3821 HE ARG B 17 -16.693 -5.752 19.013 1.00 0.35 H \nATOM 3822 HH12 ARG B 17 -17.353 -6.465 15.060 1.00 0.45 H \nATOM 3823 HH11 ARG B 17 -16.395 -5.036 15.531 1.00 0.45 H \nATOM 3824 HH22 ARG B 17 -18.192 -7.848 16.617 1.00 0.45 H \nATOM 3825 HH21 ARG B 17 -17.916 -7.544 18.353 1.00 0.45 H \nATOM 3826 H ARG B 17 -12.573 -6.503 20.869 1.00 0.27 H \nATOM 3827 N ASP B 18 -14.645 -4.605 22.641 1.00 -0.52 N \nATOM 3828 CA ASP B 18 -15.556 -4.096 23.667 1.00 0.04 C \nATOM 3829 C ASP B 18 -14.820 -3.358 24.767 1.00 0.54 C \nATOM 3830 O ASP B 18 -15.399 -2.499 25.405 1.00 -0.58 O \nATOM 3831 CB ASP B 18 -16.351 -5.233 24.322 1.00 -0.03 C \nATOM 3832 CG ASP B 18 -17.583 -5.618 23.540 1.00 0.80 C \nATOM 3833 OD1 ASP B 18 -18.212 -4.723 22.902 1.00 -0.80 O \nATOM 3834 OD2 ASP B 18 -17.931 -6.830 23.564 1.00 -0.80 O \nATOM 3835 HA ASP B 18 -16.259 -3.401 23.184 1.00 0.09 H \nATOM 3836 HB2 ASP B 18 -15.698 -6.115 24.405 1.00 -0.01 H \nATOM 3837 HB3 ASP B 18 -16.660 -4.911 25.327 1.00 -0.01 H \nATOM 3838 H ASP B 18 -14.520 -5.593 22.547 1.00 0.29 H \nATOM 3839 N LYS B 19 -13.561 -3.720 25.005 1.00 -0.35 N \nATOM 3840 CA LYS B 19 -12.769 -3.124 26.079 1.00 -0.24 C \nATOM 3841 C LYS B 19 -12.057 -1.845 25.664 1.00 0.73 C \nATOM 3842 O LYS B 19 -11.436 -1.204 26.500 1.00 -0.59 O \nATOM 3843 CB LYS B 19 -11.725 -4.096 26.602 1.00 -0.01 C \nATOM 3844 CG LYS B 19 -12.254 -5.365 27.249 1.00 0.02 C \nATOM 3845 CD LYS B 19 -11.142 -6.412 27.297 1.00 -0.05 C \nATOM 3846 CE LYS B 19 -11.622 -7.774 27.780 1.00 -0.01 C \nATOM 3847 NZ LYS B 19 -11.800 -7.778 29.250 1.00 -0.39 N \nATOM 3848 HA LYS B 19 -13.459 -2.879 26.900 1.00 0.14 H \nATOM 3849 HB2 LYS B 19 -11.088 -4.391 25.756 1.00 0.04 H \nATOM 3850 HB3 LYS B 19 -11.118 -3.566 27.350 1.00 0.04 H \nATOM 3851 HG2 LYS B 19 -12.592 -5.142 28.272 1.00 0.01 H \nATOM 3852 HG3 LYS B 19 -13.098 -5.753 26.660 1.00 0.01 H \nATOM 3853 HD2 LYS B 19 -10.725 -6.526 26.285 1.00 0.06 H \nATOM 3854 HD3 LYS B 19 -10.356 -6.056 27.979 1.00 0.06 H \nATOM 3855 HE2 LYS B 19 -12.583 -8.009 27.300 1.00 0.11 H \nATOM 3856 HE3 LYS B 19 -10.879 -8.537 27.505 1.00 0.11 H \nATOM 3857 HZ1 LYS B 19 -12.476 -7.076 29.509 1.00 0.34 H \nATOM 3858 HZ2 LYS B 19 -12.127 -8.684 29.546 1.00 0.34 H \nATOM 3859 HZ3 LYS B 19 -10.919 -7.576 29.696 1.00 0.34 H \nATOM 3860 H LYS B 19 -13.143 -4.423 24.430 1.00 0.27 H \nATOM 3861 N ILE B 20 -12.130 -1.455 24.392 1.00 -0.42 N \nATOM 3862 CA ILE B 20 -11.426 -0.253 23.948 1.00 -0.06 C \nATOM 3863 C ILE B 20 -12.185 1.016 24.338 1.00 0.60 C \nATOM 3864 O ILE B 20 -13.356 1.187 23.981 1.00 -0.57 O \nATOM 3865 CB ILE B 20 -11.177 -0.244 22.433 1.00 0.13 C \nATOM 3866 CG1 ILE B 20 -10.356 -1.487 22.032 1.00 -0.04 C \nATOM 3867 CG2 ILE B 20 -10.487 1.055 22.034 1.00 -0.32 C \nATOM 3868 CD1 ILE B 20 -10.175 -1.693 20.545 1.00 -0.07 C \nATOM 3869 HA ILE B 20 -10.449 -0.237 24.452 1.00 0.09 H \nATOM 3870 HB ILE B 20 -12.147 -0.291 21.916 1.00 0.02 H \nATOM 3871 HG12 ILE B 20 -9.358 -1.396 22.486 1.00 0.02 H \nATOM 3872 HG13 ILE B 20 -10.864 -2.374 22.438 1.00 0.02 H \nATOM 3873 HD11 ILE B 20 -9.664 -0.820 20.113 1.00 0.02 H \nATOM 3874 HD12 ILE B 20 -9.570 -2.595 20.371 1.00 0.02 H \nATOM 3875 HD13 ILE B 20 -11.159 -1.814 20.069 1.00 0.02 H \nATOM 3876 HG21 ILE B 20 -9.530 1.142 22.570 1.00 0.09 H \nATOM 3877 HG22 ILE B 20 -10.301 1.053 20.950 1.00 0.09 H \nATOM 3878 HG23 ILE B 20 -11.132 1.907 22.294 1.00 0.09 H \nATOM 3879 H ILE B 20 -12.669 -1.987 23.738 1.00 0.27 H \nATOM 3880 N ASP B 21 -11.498 1.899 25.058 1.00 -0.52 N \nATOM 3881 CA ASP B 21 -12.025 3.222 25.387 1.00 0.04 C \nATOM 3882 C ASP B 21 -11.727 4.217 24.264 1.00 0.54 C \nATOM 3883 O ASP B 21 -10.701 4.128 23.580 1.00 -0.58 O \nATOM 3884 CB ASP B 21 -11.442 3.688 26.720 1.00 -0.03 C \nATOM 3885 CG ASP B 21 -11.705 2.689 27.830 1.00 0.80 C \nATOM 3886 OD1 ASP B 21 -12.880 2.273 27.977 1.00 -0.80 O \nATOM 3887 OD2 ASP B 21 -10.752 2.298 28.552 1.00 -0.80 O \nATOM 3888 HA ASP B 21 -13.117 3.146 25.495 1.00 0.09 H \nATOM 3889 HB2 ASP B 21 -10.355 3.817 26.608 1.00 -0.01 H \nATOM 3890 HB3 ASP B 21 -11.900 4.651 26.992 1.00 -0.01 H \nATOM 3891 H ASP B 21 -10.587 1.648 25.386 1.00 0.29 H \nATOM 3892 N ASN B 22 -12.671 5.125 24.058 1.00 -0.42 N \nATOM 3893 CA ASN B 22 -12.590 6.198 23.081 1.00 0.01 C \nATOM 3894 C ASN B 22 -12.468 5.624 21.692 1.00 0.60 C \nATOM 3895 O ASN B 22 -11.680 6.084 20.888 1.00 -0.57 O \nATOM 3896 CB ASN B 22 -11.451 7.186 23.398 1.00 -0.20 C \nATOM 3897 CG ASN B 22 -11.669 7.917 24.718 1.00 0.71 C \nATOM 3898 OD1 ASN B 22 -12.713 8.534 24.934 1.00 -0.59 O \nATOM 3899 ND2 ASN B 22 -10.693 7.838 25.607 1.00 -0.92 N \nATOM 3900 HA ASN B 22 -13.533 6.762 23.127 1.00 0.10 H \nATOM 3901 HB2 ASN B 22 -10.505 6.628 23.455 1.00 0.08 H \nATOM 3902 HB3 ASN B 22 -11.391 7.928 22.588 1.00 0.08 H \nATOM 3903 HD22 ASN B 22 -10.783 8.298 26.490 1.00 0.42 H \nATOM 3904 HD21 ASN B 22 -9.865 7.318 25.396 1.00 0.42 H \nATOM 3905 H ASN B 22 -13.499 5.067 24.616 1.00 0.27 H \nATOM 3906 N ARG B 23 -13.310 4.638 21.418 1.00 -0.35 N \nATOM 3907 CA ARG B 23 -13.165 3.805 20.244 1.00 -0.26 C \nATOM 3908 C ARG B 23 -13.655 4.514 18.987 1.00 0.73 C \nATOM 3909 O ARG B 23 -14.716 5.122 18.983 1.00 -0.59 O \nATOM 3910 CB ARG B 23 -13.919 2.498 20.438 1.00 -0.00 C \nATOM 3911 CG ARG B 23 -13.508 1.440 19.439 1.00 0.04 C \nATOM 3912 CD ARG B 23 -14.193 0.135 19.719 1.00 0.05 C \nATOM 3913 NE ARG B 23 -15.629 0.237 19.489 1.00 -0.53 N \nATOM 3914 CZ ARG B 23 -16.574 0.137 20.429 1.00 0.81 C \nATOM 3915 NH1 ARG B 23 -16.278 -0.067 21.715 1.00 -0.86 N \nATOM 3916 NH2 ARG B 23 -17.849 0.244 20.074 1.00 -0.86 N \nATOM 3917 HA ARG B 23 -12.097 3.576 20.114 1.00 0.16 H \nATOM 3918 HB2 ARG B 23 -13.719 2.122 21.452 1.00 0.03 H \nATOM 3919 HB3 ARG B 23 -14.996 2.691 20.324 1.00 0.03 H \nATOM 3920 HG2 ARG B 23 -13.778 1.777 18.427 1.00 0.03 H \nATOM 3921 HG3 ARG B 23 -12.419 1.294 19.498 1.00 0.03 H \nATOM 3922 HD2 ARG B 23 -13.777 -0.639 19.057 1.00 0.07 H \nATOM 3923 HD3 ARG B 23 -14.016 -0.146 20.768 1.00 0.07 H \nATOM 3924 HE ARG B 23 -15.942 0.400 18.521 1.00 0.35 H \nATOM 3925 HH12 ARG B 23 -17.033 -0.139 22.412 1.00 0.45 H \nATOM 3926 HH11 ARG B 23 -15.295 -0.152 22.010 1.00 0.45 H \nATOM 3927 HH22 ARG B 23 -18.590 0.169 20.786 1.00 0.45 H \nATOM 3928 HH21 ARG B 23 -18.097 0.402 19.087 1.00 0.45 H \nATOM 3929 H ARG B 23 -14.071 4.464 22.043 1.00 0.27 H \nATOM 3930 N GLN B 24 -12.867 4.451 17.928 1.00 -0.42 N \nATOM 3931 CA GLN B 24 -13.294 4.942 16.621 1.00 -0.00 C \nATOM 3932 C GLN B 24 -13.106 3.783 15.670 1.00 0.60 C \nATOM 3933 O GLN B 24 -12.307 2.889 15.949 1.00 -0.57 O \nATOM 3934 CB GLN B 24 -12.466 6.156 16.183 1.00 -0.00 C \nATOM 3935 CG GLN B 24 -12.627 7.387 17.073 1.00 -0.06 C \nATOM 3936 CD GLN B 24 -11.701 8.530 16.676 1.00 0.70 C \nATOM 3937 OE1 GLN B 24 -12.161 9.597 16.276 1.00 -0.61 O \nATOM 3938 NE2 GLN B 24 -10.394 8.308 16.769 1.00 -0.94 N \nATOM 3939 HA GLN B 24 -14.355 5.230 16.657 1.00 0.09 H \nATOM 3940 HB2 GLN B 24 -11.405 5.867 16.185 1.00 0.02 H \nATOM 3941 HB3 GLN B 24 -12.770 6.429 15.161 1.00 0.02 H \nATOM 3942 HG2 GLN B 24 -13.667 7.737 17.003 1.00 0.04 H \nATOM 3943 HG3 GLN B 24 -12.406 7.101 18.112 1.00 0.04 H \nATOM 3944 HE22 GLN B 24 -9.746 9.027 16.520 1.00 0.43 H \nATOM 3945 HE21 GLN B 24 -10.059 7.422 17.088 1.00 0.43 H \nATOM 3946 H GLN B 24 -11.953 4.056 18.024 1.00 0.27 H \nATOM 3947 N THR B 25 -13.851 3.777 14.571 1.00 -0.42 N \nATOM 3948 CA THR B 25 -13.779 2.693 13.585 1.00 -0.04 C \nATOM 3949 C THR B 25 -13.527 3.227 12.188 1.00 0.60 C \nATOM 3950 O THR B 25 -14.192 4.170 11.743 1.00 -0.57 O \nATOM 3951 CB THR B 25 -15.081 1.888 13.507 1.00 0.37 C \nATOM 3952 OG1 THR B 25 -15.491 1.517 14.828 1.00 -0.68 O \nATOM 3953 CG2 THR B 25 -14.885 0.630 12.626 1.00 -0.24 C \nATOM 3954 HA THR B 25 -12.956 2.022 13.873 1.00 0.10 H \nATOM 3955 HB THR B 25 -15.862 2.517 13.055 1.00 0.00 H \nATOM 3956 HG1 THR B 25 -16.298 1.018 14.781 1.00 0.41 H \nATOM 3957 HG23 THR B 25 -15.267 0.828 11.614 1.00 0.06 H \nATOM 3958 HG21 THR B 25 -13.814 0.383 12.572 1.00 0.06 H \nATOM 3959 HG22 THR B 25 -15.434 -0.215 13.066 1.00 0.06 H \nATOM 3960 H THR B 25 -14.482 4.536 14.410 1.00 0.27 H \nATOM 3961 N ILE B 26 -12.557 2.609 11.514 1.00 -0.42 N \nATOM 3962 CA ILE B 26 -12.298 2.821 10.101 1.00 -0.06 C \nATOM 3963 C ILE B 26 -12.722 1.530 9.382 1.00 0.60 C \nATOM 3964 O ILE B 26 -12.279 0.449 9.742 1.00 -0.57 O \nATOM 3965 CB ILE B 26 -10.784 3.028 9.821 1.00 0.13 C \nATOM 3966 CG1 ILE B 26 -10.111 3.841 10.922 1.00 -0.04 C \nATOM 3967 CG2 ILE B 26 -10.569 3.688 8.461 1.00 -0.32 C \nATOM 3968 CD1 ILE B 26 -8.603 3.746 10.899 1.00 -0.07 C \nATOM 3969 HA ILE B 26 -12.871 3.685 9.735 1.00 0.09 H \nATOM 3970 HB ILE B 26 -10.309 2.036 9.797 1.00 0.02 H \nATOM 3971 HG12 ILE B 26 -10.396 4.896 10.801 1.00 0.02 H \nATOM 3972 HG13 ILE B 26 -10.469 3.474 11.895 1.00 0.02 H \nATOM 3973 HD11 ILE B 26 -8.227 4.109 9.931 1.00 0.02 H \nATOM 3974 HD12 ILE B 26 -8.184 4.361 11.709 1.00 0.02 H \nATOM 3975 HD13 ILE B 26 -8.299 2.698 11.040 1.00 0.02 H \nATOM 3976 HG21 ILE B 26 -11.078 4.663 8.442 1.00 0.09 H \nATOM 3977 HG22 ILE B 26 -9.492 3.833 8.290 1.00 0.09 H \nATOM 3978 HG23 ILE B 26 -10.982 3.043 7.671 1.00 0.09 H \nATOM 3979 H ILE B 26 -11.975 1.964 12.009 1.00 0.27 H \nATOM 3980 N THR B 27 -13.573 1.641 8.378 1.00 -0.42 N \nATOM 3981 CA THR B 27 -13.882 0.501 7.520 1.00 -0.04 C \nATOM 3982 C THR B 27 -13.182 0.704 6.189 1.00 0.60 C \nATOM 3983 O THR B 27 -13.561 1.566 5.409 1.00 -0.57 O \nATOM 3984 CB THR B 27 -15.391 0.351 7.321 1.00 0.37 C \nATOM 3985 OG1 THR B 27 -16.034 0.412 8.602 1.00 -0.68 O \nATOM 3986 CG2 THR B 27 -15.714 -0.987 6.658 1.00 -0.24 C \nATOM 3987 HA THR B 27 -13.499 -0.416 7.992 1.00 0.10 H \nATOM 3988 HB THR B 27 -15.758 1.169 6.684 1.00 0.00 H \nATOM 3989 HG1 THR B 27 -16.973 0.320 8.490 1.00 0.41 H \nATOM 3990 HG23 THR B 27 -15.863 -0.835 5.579 1.00 0.06 H \nATOM 3991 HG21 THR B 27 -14.880 -1.686 6.818 1.00 0.06 H \nATOM 3992 HG22 THR B 27 -16.631 -1.403 7.100 1.00 0.06 H \nATOM 3993 H THR B 27 -14.013 2.521 8.202 1.00 0.27 H \nATOM 3994 N LEU B 28 -12.137 -0.075 5.939 1.00 -0.42 N \nATOM 3995 CA LEU B 28 -11.327 0.136 4.761 1.00 -0.05 C \nATOM 3996 C LEU B 28 -10.993 -1.176 4.058 1.00 0.60 C \nATOM 3997 O LEU B 28 -10.544 -2.132 4.690 1.00 -0.57 O \nATOM 3998 CB LEU B 28 -10.064 0.893 5.150 1.00 -0.11 C \nATOM 3999 CG LEU B 28 -9.088 1.195 4.017 1.00 0.35 C \nATOM 4000 CD1 LEU B 28 -9.723 1.998 2.873 1.00 -0.41 C \nATOM 4001 CD2 LEU B 28 -7.892 1.926 4.619 1.00 -0.41 C \nATOM 4002 HA LEU B 28 -11.900 0.758 4.057 1.00 0.09 H \nATOM 4003 HB2 LEU B 28 -10.370 1.851 5.595 1.00 0.05 H \nATOM 4004 HB3 LEU B 28 -9.531 0.293 5.902 1.00 0.05 H \nATOM 4005 HG LEU B 28 -8.740 0.240 3.597 1.00 -0.04 H \nATOM 4006 HD21 LEU B 28 -7.420 1.290 5.383 1.00 0.10 H \nATOM 4007 HD22 LEU B 28 -7.162 2.150 3.827 1.00 0.10 H \nATOM 4008 HD23 LEU B 28 -8.231 2.865 5.081 1.00 0.10 H \nATOM 4009 HD11 LEU B 28 -10.101 2.955 3.262 1.00 0.10 H \nATOM 4010 HD12 LEU B 28 -8.968 2.190 2.097 1.00 0.10 H \nATOM 4011 HD13 LEU B 28 -10.556 1.424 2.440 1.00 0.10 H \nATOM 4012 H LEU B 28 -11.908 -0.815 6.572 1.00 0.27 H \nATOM 4013 N GLY B 29 -11.231 -1.207 2.746 1.00 -0.42 N \nATOM 4014 CA GLY B 29 -10.974 -2.384 1.931 1.00 -0.03 C \nATOM 4015 C GLY B 29 -11.505 -3.661 2.543 1.00 0.60 C \nATOM 4016 O GLY B 29 -10.802 -4.676 2.554 1.00 -0.57 O \nATOM 4017 HA3 GLY B 29 -11.452 -2.241 0.951 1.00 0.07 H \nATOM 4018 HA2 GLY B 29 -9.887 -2.486 1.798 1.00 0.07 H \nATOM 4019 H GLY B 29 -11.601 -0.389 2.305 1.00 0.27 H \nATOM 4020 N GLY B 30 -12.730 -3.600 3.069 1.00 -0.42 N \nATOM 4021 CA GLY B 30 -13.414 -4.774 3.643 1.00 -0.03 C \nATOM 4022 C GLY B 30 -12.932 -5.160 5.037 1.00 0.60 C \nATOM 4023 O GLY B 30 -13.500 -6.035 5.690 1.00 -0.57 O \nATOM 4024 HA3 GLY B 30 -14.490 -4.553 3.699 1.00 0.07 H \nATOM 4025 HA2 GLY B 30 -13.250 -5.630 2.972 1.00 0.07 H \nATOM 4026 H GLY B 30 -13.205 -2.720 3.074 1.00 0.27 H \nATOM 4027 N CYS B 31 -11.874 -4.513 5.499 1.00 -0.42 N \nATOM 4028 CA CYS B 31 -11.336 -4.736 6.833 1.00 0.02 C \nATOM 4029 C CYS B 31 -11.904 -3.681 7.754 1.00 0.60 C \nATOM 4030 O CYS B 31 -12.318 -2.616 7.296 1.00 -0.57 O \nATOM 4031 CB CYS B 31 -9.816 -4.598 6.835 1.00 -0.12 C \nATOM 4032 SG CYS B 31 -8.951 -5.773 5.796 1.00 -0.31 S \nATOM 4033 HA CYS B 31 -11.618 -5.740 7.184 1.00 0.11 H \nATOM 4034 HB2 CYS B 31 -9.564 -3.585 6.488 1.00 0.11 H \nATOM 4035 HB3 CYS B 31 -9.462 -4.730 7.868 1.00 0.11 H \nATOM 4036 HG CYS B 31 -7.958 -5.609 5.858 1.00 0.19 H \nATOM 4037 H CYS B 31 -11.426 -3.843 4.907 1.00 0.27 H \nATOM 4038 N GLU B 32 -11.912 -3.965 9.047 1.00 -0.52 N \nATOM 4039 CA GLU B 32 -12.342 -3.000 10.023 1.00 0.04 C \nATOM 4040 C GLU B 32 -11.258 -2.806 11.010 1.00 0.54 C \nATOM 4041 O GLU B 32 -10.686 -3.786 11.469 1.00 -0.58 O \nATOM 4042 CB GLU B 32 -13.575 -3.486 10.753 1.00 0.06 C \nATOM 4043 CG GLU B 32 -14.822 -3.374 9.908 1.00 0.01 C \nATOM 4044 CD GLU B 32 -16.026 -3.142 10.759 1.00 0.81 C \nATOM 4045 OE1 GLU B 32 -16.282 -3.986 11.642 1.00 -0.82 O \nATOM 4046 OE2 GLU B 32 -16.678 -2.095 10.576 1.00 -0.82 O \nATOM 4047 HA GLU B 32 -12.565 -2.047 9.521 1.00 0.11 H \nATOM 4048 HB2 GLU B 32 -13.429 -4.540 11.031 1.00 -0.02 H \nATOM 4049 HB3 GLU B 32 -13.709 -2.882 11.663 1.00 -0.02 H \nATOM 4050 HG2 GLU B 32 -14.708 -2.533 9.209 1.00 -0.04 H \nATOM 4051 HG3 GLU B 32 -14.957 -4.307 9.341 1.00 -0.04 H \nATOM 4052 H GLU B 32 -11.613 -4.869 9.351 1.00 0.29 H \nATOM 4053 N ILE B 33 -10.990 -1.545 11.341 1.00 -0.42 N \nATOM 4054 CA ILE B 33 -9.976 -1.202 12.322 1.00 -0.06 C \nATOM 4055 C ILE B 33 -10.569 -0.376 13.471 1.00 0.60 C \nATOM 4056 O ILE B 33 -11.227 0.625 13.244 1.00 -0.57 O \nATOM 4057 CB ILE B 33 -8.803 -0.418 11.716 1.00 0.13 C \nATOM 4058 CG1 ILE B 33 -8.094 -1.256 10.622 1.00 -0.04 C \nATOM 4059 CG2 ILE B 33 -7.830 -0.041 12.833 1.00 -0.32 C \nATOM 4060 CD1 ILE B 33 -7.236 -0.434 9.677 1.00 -0.07 C \nATOM 4061 HA ILE B 33 -9.582 -2.142 12.736 1.00 0.09 H \nATOM 4062 HB ILE B 33 -9.189 0.503 11.255 1.00 0.02 H \nATOM 4063 HG12 ILE B 33 -7.451 -1.998 11.117 1.00 0.02 H \nATOM 4064 HG13 ILE B 33 -8.863 -1.774 10.030 1.00 0.02 H \nATOM 4065 HD11 ILE B 33 -6.459 0.092 10.251 1.00 0.02 H \nATOM 4066 HD12 ILE B 33 -6.761 -1.099 8.940 1.00 0.02 H \nATOM 4067 HD13 ILE B 33 -7.866 0.301 9.155 1.00 0.02 H \nATOM 4068 HG21 ILE B 33 -7.464 -0.955 13.324 1.00 0.09 H \nATOM 4069 HG22 ILE B 33 -6.980 0.513 12.408 1.00 0.09 H \nATOM 4070 HG23 ILE B 33 -8.346 0.590 13.571 1.00 0.09 H \nATOM 4071 H ILE B 33 -11.504 -0.810 10.899 1.00 0.27 H \nATOM 4072 N TYR B 34 -10.307 -0.807 14.705 1.00 -0.42 N \nATOM 4073 CA TYR B 34 -10.744 -0.089 15.894 1.00 -0.00 C \nATOM 4074 C TYR B 34 -9.547 0.550 16.611 1.00 0.60 C \nATOM 4075 O TYR B 34 -8.558 -0.130 16.934 1.00 -0.57 O \nATOM 4076 CB TYR B 34 -11.481 -1.041 16.809 1.00 -0.02 C \nATOM 4077 CG TYR B 34 -12.547 -1.814 16.073 1.00 -0.00 C \nATOM 4078 CD1 TYR B 34 -12.327 -3.126 15.651 1.00 -0.19 C \nATOM 4079 CD2 TYR B 34 -13.764 -1.224 15.770 1.00 -0.19 C \nATOM 4080 CE1 TYR B 34 -13.305 -3.828 14.954 1.00 -0.23 C \nATOM 4081 CE2 TYR B 34 -14.742 -1.914 15.077 1.00 -0.23 C \nATOM 4082 CZ TYR B 34 -14.514 -3.213 14.687 1.00 0.32 C \nATOM 4083 OH TYR B 34 -15.509 -3.888 14.011 1.00 -0.56 O \nATOM 4084 HA TYR B 34 -11.434 0.712 15.590 1.00 0.09 H \nATOM 4085 HB3 TYR B 34 -10.760 -1.751 17.240 1.00 0.03 H \nATOM 4086 HB2 TYR B 34 -11.954 -0.464 17.617 1.00 0.03 H \nATOM 4087 HD2 TYR B 34 -13.953 -0.203 16.082 1.00 0.17 H \nATOM 4088 HE2 TYR B 34 -15.685 -1.433 14.842 1.00 0.17 H \nATOM 4089 HE1 TYR B 34 -13.121 -4.844 14.624 1.00 0.17 H \nATOM 4090 HD1 TYR B 34 -11.380 -3.605 15.870 1.00 0.17 H \nATOM 4091 HH TYR B 34 -15.213 -4.768 13.808 1.00 0.40 H \nATOM 4092 H TYR B 34 -9.791 -1.656 14.818 1.00 0.27 H \nATOM 4093 N THR B 35 -9.623 1.860 16.837 1.00 -0.42 N \nATOM 4094 CA THR B 35 -8.549 2.590 17.545 1.00 -0.04 C \nATOM 4095 C THR B 35 -9.067 3.163 18.843 1.00 0.60 C \nATOM 4096 O THR B 35 -10.269 3.396 18.992 1.00 -0.57 O \nATOM 4097 CB THR B 35 -7.989 3.755 16.714 1.00 0.37 C \nATOM 4098 OG1 THR B 35 -8.981 4.772 16.597 1.00 -0.68 O \nATOM 4099 CG2 THR B 35 -7.559 3.286 15.289 1.00 -0.24 C \nATOM 4100 HA THR B 35 -7.734 1.883 17.760 1.00 0.10 H \nATOM 4101 HB THR B 35 -7.109 4.167 17.231 1.00 0.00 H \nATOM 4102 HG1 THR B 35 -8.636 5.493 16.083 1.00 0.41 H \nATOM 4103 HG23 THR B 35 -6.472 3.117 15.271 1.00 0.06 H \nATOM 4104 HG21 THR B 35 -8.080 2.350 15.038 1.00 0.06 H \nATOM 4105 HG22 THR B 35 -7.822 4.060 14.553 1.00 0.06 H \nATOM 4106 H THR B 35 -10.427 2.363 16.520 1.00 0.27 H \nATOM 4107 N GLY B 36 -8.154 3.448 19.748 1.00 -0.42 N \nATOM 4108 CA GLY B 36 -8.511 3.949 21.074 1.00 -0.03 C \nATOM 4109 C GLY B 36 -7.518 3.420 22.067 1.00 0.60 C \nATOM 4110 O GLY B 36 -6.367 3.080 21.685 1.00 -0.57 O \nATOM 4111 HA3 GLY B 36 -8.486 5.049 21.074 1.00 0.07 H \nATOM 4112 HA2 GLY B 36 -9.521 3.605 21.341 1.00 0.07 H \nATOM 4113 H GLY B 36 -7.189 3.318 19.522 1.00 0.27 H \nATOM 4114 N GLN B 37 -7.950 3.304 23.329 1.00 -0.42 N \nATOM 4115 CA GLN B 37 -7.074 2.811 24.375 1.00 -0.00 C \nATOM 4116 C GLN B 37 -7.613 1.559 24.998 1.00 0.60 C \nATOM 4117 O GLN B 37 -8.814 1.421 25.206 1.00 -0.57 O \nATOM 4118 CB GLN B 37 -6.833 3.870 25.480 1.00 -0.00 C \nATOM 4119 CG GLN B 37 -6.228 5.166 24.980 1.00 -0.06 C \nATOM 4120 CD GLN B 37 -7.255 6.105 24.391 1.00 0.70 C \nATOM 4121 OE1 GLN B 37 -8.330 6.243 24.922 1.00 -0.61 O \nATOM 4122 NE2 GLN B 37 -6.934 6.736 23.291 1.00 -0.94 N \nATOM 4123 HA GLN B 37 -6.104 2.574 23.913 1.00 0.09 H \nATOM 4124 HB2 GLN B 37 -7.799 4.101 25.953 1.00 0.02 H \nATOM 4125 HB3 GLN B 37 -6.152 3.438 26.228 1.00 0.02 H \nATOM 4126 HG2 GLN B 37 -5.733 5.671 25.823 1.00 0.04 H \nATOM 4127 HG3 GLN B 37 -5.483 4.930 24.206 1.00 0.04 H \nATOM 4128 HE22 GLN B 37 -7.585 7.367 22.868 1.00 0.43 H \nATOM 4129 HE21 GLN B 37 -6.038 6.588 22.873 1.00 0.43 H \nATOM 4130 H GLN B 37 -8.890 3.561 23.554 1.00 0.27 H \nATOM 4131 N LEU B 38 -6.693 0.670 25.329 1.00 -0.42 N \nATOM 4132 CA LEU B 38 -6.963 -0.535 26.097 1.00 -0.05 C \nATOM 4133 C LEU B 38 -6.231 -0.332 27.410 1.00 0.60 C \nATOM 4134 O LEU B 38 -4.989 -0.297 27.449 1.00 -0.57 O \nATOM 4135 CB LEU B 38 -6.438 -1.763 25.339 1.00 -0.11 C \nATOM 4136 CG LEU B 38 -6.711 -3.155 25.878 1.00 0.35 C \nATOM 4137 CD1 LEU B 38 -8.213 -3.465 25.857 1.00 -0.41 C \nATOM 4138 CD2 LEU B 38 -5.963 -4.196 25.077 1.00 -0.41 C \nATOM 4139 HA LEU B 38 -8.042 -0.650 26.275 1.00 0.09 H \nATOM 4140 HB2 LEU B 38 -6.870 -1.722 24.328 1.00 0.05 H \nATOM 4141 HB3 LEU B 38 -5.345 -1.655 25.275 1.00 0.05 H \nATOM 4142 HG LEU B 38 -6.360 -3.197 26.920 1.00 -0.04 H \nATOM 4143 HD21 LEU B 38 -4.883 -3.992 25.128 1.00 0.10 H \nATOM 4144 HD22 LEU B 38 -6.167 -5.194 25.491 1.00 0.10 H \nATOM 4145 HD23 LEU B 38 -6.294 -4.159 24.029 1.00 0.10 H \nATOM 4146 HD11 LEU B 38 -8.587 -3.397 24.825 1.00 0.10 H \nATOM 4147 HD12 LEU B 38 -8.383 -4.481 26.242 1.00 0.10 H \nATOM 4148 HD13 LEU B 38 -8.746 -2.739 26.489 1.00 0.10 H \nATOM 4149 H LEU B 38 -5.752 0.836 25.033 1.00 0.27 H \nATOM 4150 N ASN B 39 -6.994 -0.132 28.484 1.00 -0.42 N \nATOM 4151 CA ASN B 39 -6.407 0.093 29.812 1.00 0.01 C \nATOM 4152 C ASN B 39 -5.284 1.120 29.764 1.00 0.60 C \nATOM 4153 O ASN B 39 -4.211 0.910 30.306 1.00 -0.57 O \nATOM 4154 CB ASN B 39 -5.885 -1.218 30.354 1.00 -0.20 C \nATOM 4155 CG ASN B 39 -6.979 -2.251 30.512 1.00 0.71 C \nATOM 4156 OD1 ASN B 39 -8.039 -1.954 31.056 1.00 -0.59 O \nATOM 4157 ND2 ASN B 39 -6.732 -3.469 30.039 1.00 -0.92 N \nATOM 4158 HA ASN B 39 -7.193 0.469 30.483 1.00 0.10 H \nATOM 4159 HB2 ASN B 39 -5.126 -1.610 29.661 1.00 0.08 H \nATOM 4160 HB3 ASN B 39 -5.425 -1.036 31.337 1.00 0.08 H \nATOM 4161 HD22 ASN B 39 -7.424 -4.186 30.120 1.00 0.42 H \nATOM 4162 HD21 ASN B 39 -5.854 -3.667 29.603 1.00 0.42 H \nATOM 4163 H ASN B 39 -7.989 -0.135 28.384 1.00 0.27 H \nATOM 4164 N GLY B 40 -5.537 2.210 29.055 1.00 -0.42 N \nATOM 4165 CA GLY B 40 -4.605 3.325 28.967 1.00 -0.03 C \nATOM 4166 C GLY B 40 -3.540 3.302 27.879 1.00 0.60 C \nATOM 4167 O GLY B 40 -2.865 4.315 27.669 1.00 -0.57 O \nATOM 4168 HA3 GLY B 40 -5.203 4.236 28.816 1.00 0.07 H \nATOM 4169 HA2 GLY B 40 -4.081 3.386 29.932 1.00 0.07 H \nATOM 4170 H GLY B 40 -6.404 2.269 28.560 1.00 0.27 H \nATOM 4171 N THR B 41 -3.379 2.173 27.177 1.00 -0.42 N \nATOM 4172 CA THR B 41 -2.420 2.085 26.055 1.00 -0.04 C \nATOM 4173 C THR B 41 -3.121 2.193 24.704 1.00 0.60 C \nATOM 4174 O THR B 41 -4.165 1.559 24.460 1.00 -0.57 O \nATOM 4175 CB THR B 41 -1.699 0.755 26.065 1.00 0.37 C \nATOM 4176 OG1 THR B 41 -1.157 0.510 27.366 1.00 -0.68 O \nATOM 4177 CG2 THR B 41 -0.598 0.722 25.027 1.00 -0.24 C \nATOM 4178 HA THR B 41 -1.689 2.901 26.154 1.00 0.10 H \nATOM 4179 HB THR B 41 -2.424 -0.038 25.829 1.00 0.00 H \nATOM 4180 HG1 THR B 41 -0.705 -0.326 27.369 1.00 0.41 H \nATOM 4181 HG23 THR B 41 -0.959 0.205 24.126 1.00 0.06 H \nATOM 4182 HG21 THR B 41 -0.307 1.751 24.768 1.00 0.06 H \nATOM 4183 HG22 THR B 41 0.273 0.186 25.433 1.00 0.06 H \nATOM 4184 H THR B 41 -3.922 1.368 27.418 1.00 0.27 H \nATOM 4185 N GLU B 42 -2.508 2.957 23.812 1.00 -0.52 N \nATOM 4186 CA GLU B 42 -3.052 3.178 22.510 1.00 0.04 C \nATOM 4187 C GLU B 42 -2.907 1.867 21.693 1.00 0.54 C \nATOM 4188 O GLU B 42 -1.820 1.263 21.640 1.00 -0.58 O \nATOM 4189 CB GLU B 42 -2.348 4.352 21.840 1.00 0.06 C \nATOM 4190 CG GLU B 42 -2.942 4.827 20.529 1.00 0.01 C \nATOM 4191 CD GLU B 42 -4.301 5.486 20.653 1.00 0.81 C \nATOM 4192 OE1 GLU B 42 -4.688 5.924 21.763 1.00 -0.82 O \nATOM 4193 OE2 GLU B 42 -4.971 5.615 19.615 1.00 -0.82 O \nATOM 4194 HA GLU B 42 -4.121 3.421 22.602 1.00 0.11 H \nATOM 4195 HB2 GLU B 42 -2.364 5.198 22.542 1.00 -0.02 H \nATOM 4196 HB3 GLU B 42 -1.307 4.054 21.648 1.00 -0.02 H \nATOM 4197 HG2 GLU B 42 -2.248 5.554 20.081 1.00 -0.04 H \nATOM 4198 HG3 GLU B 42 -3.042 3.957 19.863 1.00 -0.04 H \nATOM 4199 H GLU B 42 -1.641 3.391 24.057 1.00 0.29 H \nATOM 4200 N VAL B 43 -4.034 1.422 21.134 1.00 -0.42 N \nATOM 4201 CA VAL B 43 -4.078 0.217 20.304 1.00 -0.09 C \nATOM 4202 C VAL B 43 -4.808 0.484 19.002 1.00 0.60 C \nATOM 4203 O VAL B 43 -5.677 1.358 18.915 1.00 -0.57 O \nATOM 4204 CB VAL B 43 -4.783 -0.956 21.008 1.00 0.30 C \nATOM 4205 CG1 VAL B 43 -4.061 -1.325 22.291 1.00 -0.32 C \nATOM 4206 CG2 VAL B 43 -6.264 -0.635 21.239 1.00 -0.32 C \nATOM 4207 HA VAL B 43 -3.043 -0.079 20.079 1.00 0.10 H \nATOM 4208 HB VAL B 43 -4.734 -1.828 20.340 1.00 -0.03 H \nATOM 4209 HG11 VAL B 43 -4.042 -0.455 22.964 1.00 0.08 H \nATOM 4210 HG12 VAL B 43 -4.587 -2.157 22.782 1.00 0.08 H \nATOM 4211 HG13 VAL B 43 -3.030 -1.630 22.057 1.00 0.08 H \nATOM 4212 HG21 VAL B 43 -6.753 -0.443 20.272 1.00 0.08 H \nATOM 4213 HG22 VAL B 43 -6.751 -1.488 21.733 1.00 0.08 H \nATOM 4214 HG23 VAL B 43 -6.351 0.257 21.877 1.00 0.08 H \nATOM 4215 H VAL B 43 -4.881 1.931 21.288 1.00 0.27 H \nATOM 4216 N ALA B 44 -4.429 -0.273 17.973 1.00 -0.42 N \nATOM 4217 CA ALA B 44 -5.175 -0.332 16.737 1.00 0.03 C \nATOM 4218 C ALA B 44 -5.458 -1.816 16.486 1.00 0.60 C \nATOM 4219 O ALA B 44 -4.521 -2.615 16.283 1.00 -0.57 O \nATOM 4220 CB ALA B 44 -4.397 0.307 15.590 1.00 -0.18 C \nATOM 4221 HA ALA B 44 -6.127 0.207 16.854 1.00 0.08 H \nATOM 4222 HB1 ALA B 44 -4.990 0.246 14.666 1.00 0.06 H \nATOM 4223 HB2 ALA B 44 -4.195 1.362 15.827 1.00 0.06 H \nATOM 4224 HB3 ALA B 44 -3.445 -0.226 15.451 1.00 0.06 H \nATOM 4225 H ALA B 44 -3.597 -0.821 18.059 1.00 0.27 H \nATOM 4226 N LEU B 45 -6.748 -2.154 16.542 1.00 -0.42 N \nATOM 4227 CA LEU B 45 -7.254 -3.513 16.460 1.00 -0.05 C \nATOM 4228 C LEU B 45 -7.834 -3.711 15.081 1.00 0.60 C \nATOM 4229 O LEU B 45 -8.728 -2.981 14.666 1.00 -0.57 O \nATOM 4230 CB LEU B 45 -8.330 -3.755 17.532 1.00 -0.11 C \nATOM 4231 CG LEU B 45 -9.049 -5.114 17.562 1.00 0.35 C \nATOM 4232 CD1 LEU B 45 -8.070 -6.249 17.821 1.00 -0.41 C \nATOM 4233 CD2 LEU B 45 -10.173 -5.121 18.611 1.00 -0.41 C \nATOM 4234 HA LEU B 45 -6.427 -4.222 16.616 1.00 0.09 H \nATOM 4235 HB2 LEU B 45 -7.847 -3.622 18.511 1.00 0.05 H \nATOM 4236 HB3 LEU B 45 -9.102 -2.983 17.396 1.00 0.05 H \nATOM 4237 HG LEU B 45 -9.505 -5.277 16.574 1.00 -0.04 H \nATOM 4238 HD21 LEU B 45 -10.902 -4.333 18.373 1.00 0.10 H \nATOM 4239 HD22 LEU B 45 -10.676 -6.099 18.603 1.00 0.10 H \nATOM 4240 HD23 LEU B 45 -9.746 -4.936 19.608 1.00 0.10 H \nATOM 4241 HD11 LEU B 45 -7.568 -6.087 18.786 1.00 0.10 H \nATOM 4242 HD12 LEU B 45 -8.615 -7.204 17.847 1.00 0.10 H \nATOM 4243 HD13 LEU B 45 -7.320 -6.276 17.017 1.00 0.10 H \nATOM 4244 H LEU B 45 -7.416 -1.417 16.648 1.00 0.27 H \nATOM 4245 N LEU B 46 -7.305 -4.684 14.359 1.00 -0.42 N \nATOM 4246 CA LEU B 46 -7.779 -4.985 13.013 1.00 -0.05 C \nATOM 4247 C LEU B 46 -8.486 -6.338 12.950 1.00 0.60 C \nATOM 4248 O LEU B 46 -7.937 -7.349 13.375 1.00 -0.57 O \nATOM 4249 CB LEU B 46 -6.605 -5.001 12.060 1.00 -0.11 C \nATOM 4250 CG LEU B 46 -6.795 -5.704 10.711 1.00 0.35 C \nATOM 4251 CD1 LEU B 46 -7.477 -4.759 9.758 1.00 -0.41 C \nATOM 4252 CD2 LEU B 46 -5.458 -6.153 10.156 1.00 -0.41 C \nATOM 4253 HA LEU B 46 -8.486 -4.201 12.705 1.00 0.09 H \nATOM 4254 HB2 LEU B 46 -6.337 -3.955 11.851 1.00 0.05 H \nATOM 4255 HB3 LEU B 46 -5.770 -5.498 12.575 1.00 0.05 H \nATOM 4256 HG LEU B 46 -7.432 -6.589 10.854 1.00 -0.04 H \nATOM 4257 HD21 LEU B 46 -4.980 -6.844 10.865 1.00 0.10 H \nATOM 4258 HD22 LEU B 46 -5.613 -6.664 9.194 1.00 0.10 H \nATOM 4259 HD23 LEU B 46 -4.811 -5.277 10.005 1.00 0.10 H \nATOM 4260 HD11 LEU B 46 -6.860 -3.857 9.632 1.00 0.10 H \nATOM 4261 HD12 LEU B 46 -7.608 -5.252 8.784 1.00 0.10 H \nATOM 4262 HD13 LEU B 46 -8.461 -4.478 10.162 1.00 0.10 H \nATOM 4263 H LEU B 46 -6.560 -5.228 14.746 1.00 0.27 H \nATOM 4264 N LYS B 47 -9.708 -6.338 12.426 1.00 -0.35 N \nATOM 4265 CA LYS B 47 -10.372 -7.570 12.012 1.00 -0.24 C \nATOM 4266 C LYS B 47 -10.110 -7.764 10.525 1.00 0.73 C \nATOM 4267 O LYS B 47 -10.632 -7.038 9.695 1.00 -0.59 O \nATOM 4268 CB LYS B 47 -11.852 -7.502 12.273 1.00 -0.01 C \nATOM 4269 CG LYS B 47 -12.575 -8.787 11.970 1.00 0.02 C \nATOM 4270 CD LYS B 47 -14.033 -8.495 11.692 1.00 -0.05 C \nATOM 4271 CE LYS B 47 -14.220 -7.925 10.286 1.00 -0.01 C \nATOM 4272 NZ LYS B 47 -15.649 -7.586 10.036 1.00 -0.39 N \nATOM 4273 HA LYS B 47 -9.950 -8.417 12.573 1.00 0.14 H \nATOM 4274 HB2 LYS B 47 -12.008 -7.257 13.334 1.00 0.04 H \nATOM 4275 HB3 LYS B 47 -12.280 -6.706 11.646 1.00 0.04 H \nATOM 4276 HG2 LYS B 47 -12.122 -9.263 11.088 1.00 0.01 H \nATOM 4277 HG3 LYS B 47 -12.495 -9.464 12.833 1.00 0.01 H \nATOM 4278 HD2 LYS B 47 -14.610 -9.427 11.782 1.00 0.06 H \nATOM 4279 HD3 LYS B 47 -14.400 -7.764 12.428 1.00 0.06 H \nATOM 4280 HE2 LYS B 47 -13.610 -7.015 10.182 1.00 0.11 H \nATOM 4281 HE3 LYS B 47 -13.893 -8.672 9.548 1.00 0.11 H \nATOM 4282 HZ1 LYS B 47 -15.957 -6.906 10.713 1.00 0.34 H \nATOM 4283 HZ2 LYS B 47 -15.746 -7.204 9.108 1.00 0.34 H \nATOM 4284 HZ3 LYS B 47 -16.211 -8.419 10.117 1.00 0.34 H \nATOM 4285 H LYS B 47 -10.187 -5.467 12.312 1.00 0.27 H \nATOM 4286 N SER B 48 -9.289 -8.742 10.193 1.00 -0.42 N \nATOM 4287 CA SER B 48 -8.752 -8.857 8.819 1.00 -0.02 C \nATOM 4288 C SER B 48 -9.630 -9.704 7.899 1.00 0.60 C \nATOM 4289 O SER B 48 -9.632 -9.499 6.692 1.00 -0.57 O \nATOM 4290 CB SER B 48 -7.343 -9.459 8.864 1.00 0.21 C \nATOM 4291 OG SER B 48 -7.389 -10.789 9.398 1.00 -0.65 O \nATOM 4292 HA SER B 48 -8.690 -7.844 8.394 1.00 0.08 H \nATOM 4293 HB2 SER B 48 -6.929 -9.491 7.845 1.00 0.04 H \nATOM 4294 HB3 SER B 48 -6.701 -8.834 9.502 1.00 0.04 H \nATOM 4295 HG SER B 48 -6.511 -11.151 9.421 1.00 0.43 H \nATOM 4296 H SER B 48 -9.025 -9.417 10.882 1.00 0.27 H \nATOM 4297 N GLY B 49 -10.347 -10.667 8.459 1.00 -0.42 N \nATOM 4298 CA GLY B 49 -10.936 -11.738 7.659 1.00 -0.03 C \nATOM 4299 C GLY B 49 -9.940 -12.885 7.515 1.00 0.60 C \nATOM 4300 O GLY B 49 -8.762 -12.776 7.852 1.00 -0.57 O \nATOM 4301 HA3 GLY B 49 -11.847 -12.105 8.155 1.00 0.07 H \nATOM 4302 HA2 GLY B 49 -11.192 -11.350 6.662 1.00 0.07 H \nATOM 4303 H GLY B 49 -10.488 -10.661 9.449 1.00 0.27 H \nATOM 4304 N ILE B 50 -10.430 -13.986 6.986 1.00 -0.42 N \nATOM 4305 CA ILE B 50 -9.746 -15.277 7.037 1.00 -0.06 C \nATOM 4306 C ILE B 50 -8.827 -15.529 5.856 1.00 0.60 C \nATOM 4307 O ILE B 50 -9.182 -15.283 4.672 1.00 -0.57 O \nATOM 4308 CB ILE B 50 -10.788 -16.401 7.123 1.00 0.13 C \nATOM 4309 CG1 ILE B 50 -11.484 -16.316 8.482 1.00 -0.04 C \nATOM 4310 CG2 ILE B 50 -10.168 -17.763 6.879 1.00 -0.32 C \nATOM 4311 CD1 ILE B 50 -12.750 -17.147 8.594 1.00 -0.07 C \nATOM 4312 HA ILE B 50 -9.132 -15.296 7.950 1.00 0.09 H \nATOM 4313 HB ILE B 50 -11.542 -16.234 6.340 1.00 0.02 H \nATOM 4314 HG12 ILE B 50 -10.778 -16.660 9.252 1.00 0.02 H \nATOM 4315 HG13 ILE B 50 -11.746 -15.264 8.669 1.00 0.02 H \nATOM 4316 HD11 ILE B 50 -12.511 -18.205 8.414 1.00 0.02 H \nATOM 4317 HD12 ILE B 50 -13.175 -17.034 9.602 1.00 0.02 H \nATOM 4318 HD13 ILE B 50 -13.481 -16.804 7.847 1.00 0.02 H \nATOM 4319 HG21 ILE B 50 -9.385 -17.949 7.628 1.00 0.09 H \nATOM 4320 HG22 ILE B 50 -10.944 -18.539 6.959 1.00 0.09 H \nATOM 4321 HG23 ILE B 50 -9.726 -17.790 5.872 1.00 0.09 H \nATOM 4322 H ILE B 50 -11.316 -13.937 6.525 1.00 0.27 H \nATOM 4323 N GLY B 51 -7.639 -16.025 6.187 1.00 -0.42 N \nATOM 4324 CA GLY B 51 -6.696 -16.484 5.186 1.00 -0.03 C \nATOM 4325 C GLY B 51 -5.536 -15.525 4.907 1.00 0.60 C \nATOM 4326 O GLY B 51 -5.484 -14.430 5.431 1.00 -0.57 O \nATOM 4327 HA3 GLY B 51 -6.274 -17.441 5.527 1.00 0.07 H \nATOM 4328 HA2 GLY B 51 -7.245 -16.640 4.245 1.00 0.07 H \nATOM 4329 H GLY B 51 -7.389 -16.083 7.153 1.00 0.27 H \nATOM 4330 N LYS B 52 -4.597 -15.990 4.096 1.00 -0.35 N \nATOM 4331 CA LYS B 52 -3.318 -15.318 3.917 1.00 -0.24 C \nATOM 4332 C LYS B 52 -3.422 -13.948 3.235 1.00 0.73 C \nATOM 4333 O LYS B 52 -2.758 -12.996 3.645 1.00 -0.59 O \nATOM 4334 CB LYS B 52 -2.353 -16.242 3.167 1.00 -0.01 C \nATOM 4335 CG LYS B 52 -1.878 -17.426 4.028 1.00 0.02 C \nATOM 4336 CD LYS B 52 -1.515 -18.683 3.232 1.00 -0.05 C \nATOM 4337 CE LYS B 52 -0.602 -18.384 2.091 1.00 -0.01 C \nATOM 4338 NZ LYS B 52 0.044 -19.631 1.564 1.00 -0.39 N \nATOM 4339 HA LYS B 52 -2.901 -15.143 4.920 1.00 0.14 H \nATOM 4340 HB2 LYS B 52 -2.864 -16.637 2.276 1.00 0.04 H \nATOM 4341 HB3 LYS B 52 -1.475 -15.657 2.857 1.00 0.04 H \nATOM 4342 HG2 LYS B 52 -0.989 -17.107 4.591 1.00 0.01 H \nATOM 4343 HG3 LYS B 52 -2.683 -17.685 4.731 1.00 0.01 H \nATOM 4344 HD2 LYS B 52 -1.018 -19.397 3.905 1.00 0.06 H \nATOM 4345 HD3 LYS B 52 -2.439 -19.132 2.838 1.00 0.06 H \nATOM 4346 HE2 LYS B 52 -1.181 -17.913 1.283 1.00 0.11 H \nATOM 4347 HE3 LYS B 52 0.182 -17.692 2.432 1.00 0.11 H \nATOM 4348 HZ1 LYS B 52 -0.668 -20.273 1.253 1.00 0.34 H \nATOM 4349 HZ2 LYS B 52 0.646 -19.396 0.790 1.00 0.34 H \nATOM 4350 HZ3 LYS B 52 0.589 -20.062 2.295 1.00 0.34 H \nATOM 4351 H LYS B 52 -4.773 -16.833 3.588 1.00 0.27 H \nATOM 4352 N VAL B 53 -4.245 -13.861 2.208 1.00 -0.42 N \nATOM 4353 CA VAL B 53 -4.400 -12.609 1.447 1.00 -0.09 C \nATOM 4354 C VAL B 53 -5.196 -11.609 2.287 1.00 0.60 C \nATOM 4355 O VAL B 53 -4.754 -10.468 2.397 1.00 -0.57 O \nATOM 4356 CB VAL B 53 -5.041 -12.856 0.076 1.00 0.30 C \nATOM 4357 CG1 VAL B 53 -5.338 -11.548 -0.667 1.00 -0.32 C \nATOM 4358 CG2 VAL B 53 -4.124 -13.745 -0.744 1.00 -0.32 C \nATOM 4359 HA VAL B 53 -3.399 -12.187 1.274 1.00 0.10 H \nATOM 4360 HB VAL B 53 -5.994 -13.383 0.230 1.00 -0.03 H \nATOM 4361 HG11 VAL B 53 -4.402 -10.989 -0.813 1.00 0.08 H \nATOM 4362 HG12 VAL B 53 -5.786 -11.776 -1.646 1.00 0.08 H \nATOM 4363 HG13 VAL B 53 -6.039 -10.941 -0.075 1.00 0.08 H \nATOM 4364 HG21 VAL B 53 -3.972 -14.699 -0.218 1.00 0.08 H \nATOM 4365 HG22 VAL B 53 -4.581 -13.936 -1.726 1.00 0.08 H \nATOM 4366 HG23 VAL B 53 -3.155 -13.244 -0.882 1.00 0.08 H \nATOM 4367 H VAL B 53 -4.777 -14.664 1.939 1.00 0.27 H \nATOM 4368 N ALA B 54 -6.286 -12.057 2.934 1.00 -0.42 N \nATOM 4369 CA ALA B 54 -7.065 -11.175 3.783 1.00 0.03 C \nATOM 4370 C ALA B 54 -6.143 -10.628 4.884 1.00 0.60 C \nATOM 4371 O ALA B 54 -6.157 -9.466 5.148 1.00 -0.57 O \nATOM 4372 CB ALA B 54 -8.270 -11.901 4.394 1.00 -0.18 C \nATOM 4373 HA ALA B 54 -7.437 -10.335 3.177 1.00 0.08 H \nATOM 4374 HB1 ALA B 54 -8.835 -11.203 5.029 1.00 0.06 H \nATOM 4375 HB2 ALA B 54 -8.921 -12.273 3.589 1.00 0.06 H \nATOM 4376 HB3 ALA B 54 -7.918 -12.748 5.002 1.00 0.06 H \nATOM 4377 H ALA B 54 -6.564 -13.012 2.829 1.00 0.27 H \nATOM 4378 N ALA B 55 -5.301 -11.470 5.477 1.00 -0.42 N \nATOM 4379 CA ALA B 55 -4.433 -10.990 6.529 1.00 0.03 C \nATOM 4380 C ALA B 55 -3.328 -10.059 6.038 1.00 0.60 C \nATOM 4381 O ALA B 55 -3.048 -9.090 6.726 1.00 -0.57 O \nATOM 4382 CB ALA B 55 -3.845 -12.146 7.328 1.00 -0.18 C \nATOM 4383 HA ALA B 55 -5.062 -10.404 7.215 1.00 0.08 H \nATOM 4384 HB1 ALA B 55 -3.191 -11.750 8.119 1.00 0.06 H \nATOM 4385 HB2 ALA B 55 -4.659 -12.729 7.783 1.00 0.06 H \nATOM 4386 HB3 ALA B 55 -3.260 -12.794 6.659 1.00 0.06 H \nATOM 4387 H ALA B 55 -5.269 -12.429 5.197 1.00 0.27 H \nATOM 4388 N ALA B 56 -2.718 -10.347 4.878 1.00 -0.42 N \nATOM 4389 CA ALA B 56 -1.702 -9.465 4.260 1.00 0.03 C \nATOM 4390 C ALA B 56 -2.312 -8.075 3.981 1.00 0.60 C \nATOM 4391 O ALA B 56 -1.780 -7.032 4.383 1.00 -0.57 O \nATOM 4392 CB ALA B 56 -1.157 -10.077 2.965 1.00 -0.18 C \nATOM 4393 HA ALA B 56 -0.867 -9.347 4.966 1.00 0.08 H \nATOM 4394 HB1 ALA B 56 -0.406 -9.402 2.528 1.00 0.06 H \nATOM 4395 HB2 ALA B 56 -0.692 -11.049 3.186 1.00 0.06 H \nATOM 4396 HB3 ALA B 56 -1.982 -10.219 2.251 1.00 0.06 H \nATOM 4397 H ALA B 56 -2.961 -11.196 4.409 1.00 0.27 H \nATOM 4398 N LEU B 57 -3.471 -8.080 3.327 1.00 -0.42 N \nATOM 4399 CA LEU B 57 -4.182 -6.846 3.024 1.00 -0.05 C \nATOM 4400 C LEU B 57 -4.401 -6.019 4.292 1.00 0.60 C \nATOM 4401 O LEU B 57 -4.060 -4.836 4.351 1.00 -0.57 O \nATOM 4402 CB LEU B 57 -5.499 -7.190 2.371 1.00 -0.11 C \nATOM 4403 CG LEU B 57 -6.600 -6.136 2.262 1.00 0.35 C \nATOM 4404 CD1 LEU B 57 -6.073 -4.902 1.584 1.00 -0.41 C \nATOM 4405 CD2 LEU B 57 -7.727 -6.747 1.453 1.00 -0.41 C \nATOM 4406 HA LEU B 57 -3.580 -6.252 2.320 1.00 0.09 H \nATOM 4407 HB2 LEU B 57 -5.269 -7.515 1.346 1.00 0.05 H \nATOM 4408 HB3 LEU B 57 -5.922 -8.033 2.937 1.00 0.05 H \nATOM 4409 HG LEU B 57 -6.963 -5.870 3.266 1.00 -0.04 H \nATOM 4410 HD21 LEU B 57 -8.094 -7.651 1.960 1.00 0.10 H \nATOM 4411 HD22 LEU B 57 -8.547 -6.020 1.360 1.00 0.10 H \nATOM 4412 HD23 LEU B 57 -7.357 -7.013 0.452 1.00 0.10 H \nATOM 4413 HD11 LEU B 57 -5.712 -5.162 0.578 1.00 0.10 H \nATOM 4414 HD12 LEU B 57 -6.877 -4.156 1.503 1.00 0.10 H \nATOM 4415 HD13 LEU B 57 -5.244 -4.485 2.175 1.00 0.10 H \nATOM 4416 H LEU B 57 -3.863 -8.953 3.036 1.00 0.27 H \nATOM 4417 N GLY B 58 -4.981 -6.644 5.309 1.00 -0.42 N \nATOM 4418 CA GLY B 58 -5.238 -5.977 6.561 1.00 -0.03 C \nATOM 4419 C GLY B 58 -3.995 -5.426 7.235 1.00 0.60 C \nATOM 4420 O GLY B 58 -4.012 -4.306 7.739 1.00 -0.57 O \nATOM 4421 HA3 GLY B 58 -5.928 -5.141 6.372 1.00 0.07 H \nATOM 4422 HA2 GLY B 58 -5.712 -6.696 7.245 1.00 0.07 H \nATOM 4423 H GLY B 58 -5.247 -7.602 5.204 1.00 0.27 H \nATOM 4424 N ALA B 59 -2.955 -6.248 7.313 1.00 -0.42 N \nATOM 4425 CA ALA B 59 -1.726 -5.865 7.973 1.00 0.03 C \nATOM 4426 C ALA B 59 -1.157 -4.661 7.257 1.00 0.60 C \nATOM 4427 O ALA B 59 -0.758 -3.705 7.889 1.00 -0.57 O \nATOM 4428 CB ALA B 59 -0.706 -7.009 8.003 1.00 -0.18 C \nATOM 4429 HA ALA B 59 -1.958 -5.585 9.011 1.00 0.08 H \nATOM 4430 HB1 ALA B 59 0.209 -6.672 8.513 1.00 0.06 H \nATOM 4431 HB2 ALA B 59 -1.132 -7.866 8.544 1.00 0.06 H \nATOM 4432 HB3 ALA B 59 -0.462 -7.310 6.973 1.00 0.06 H \nATOM 4433 H ALA B 59 -3.023 -7.158 6.904 1.00 0.27 H \nATOM 4434 N THR B 60 -1.173 -4.705 5.939 1.00 -0.42 N \nATOM 4435 CA THR B 60 -0.662 -3.603 5.156 1.00 -0.04 C \nATOM 4436 C THR B 60 -1.424 -2.334 5.462 1.00 0.60 C \nATOM 4437 O THR B 60 -0.818 -1.271 5.636 1.00 -0.57 O \nATOM 4438 CB THR B 60 -0.734 -3.928 3.667 1.00 0.37 C \nATOM 4439 OG1 THR B 60 0.034 -5.112 3.426 1.00 -0.68 O \nATOM 4440 CG2 THR B 60 -0.151 -2.748 2.858 1.00 -0.24 C \nATOM 4441 HA THR B 60 0.393 -3.446 5.426 1.00 0.10 H \nATOM 4442 HB THR B 60 -1.780 -4.097 3.371 1.00 0.00 H \nATOM 4443 HG1 THR B 60 -0.000 -5.329 2.502 1.00 0.41 H \nATOM 4444 HG23 THR B 60 -0.972 -2.117 2.487 1.00 0.06 H \nATOM 4445 HG21 THR B 60 0.508 -2.150 3.505 1.00 0.06 H \nATOM 4446 HG22 THR B 60 0.426 -3.137 2.006 1.00 0.06 H \nATOM 4447 H THR B 60 -1.543 -5.510 5.476 1.00 0.27 H \nATOM 4448 N LEU B 61 -2.756 -2.446 5.560 1.00 -0.42 N \nATOM 4449 CA LEU B 61 -3.584 -1.283 5.839 1.00 -0.05 C \nATOM 4450 C LEU B 61 -3.326 -0.729 7.231 1.00 0.60 C \nATOM 4451 O LEU B 61 -3.326 0.494 7.437 1.00 -0.57 O \nATOM 4452 CB LEU B 61 -5.072 -1.596 5.671 1.00 -0.11 C \nATOM 4453 CG LEU B 61 -5.555 -1.887 4.254 1.00 0.35 C \nATOM 4454 CD1 LEU B 61 -6.943 -2.507 4.285 1.00 -0.41 C \nATOM 4455 CD2 LEU B 61 -5.542 -0.624 3.403 1.00 -0.41 C \nATOM 4456 HA LEU B 61 -3.318 -0.503 5.110 1.00 0.09 H \nATOM 4457 HB2 LEU B 61 -5.299 -2.478 6.288 1.00 0.05 H \nATOM 4458 HB3 LEU B 61 -5.639 -0.731 6.045 1.00 0.05 H \nATOM 4459 HG LEU B 61 -4.865 -2.612 3.798 1.00 -0.04 H \nATOM 4460 HD21 LEU B 61 -4.519 -0.221 3.360 1.00 0.10 H \nATOM 4461 HD22 LEU B 61 -5.884 -0.864 2.386 1.00 0.10 H \nATOM 4462 HD23 LEU B 61 -6.213 0.125 3.848 1.00 0.10 H \nATOM 4463 HD11 LEU B 61 -7.643 -1.815 4.776 1.00 0.10 H \nATOM 4464 HD12 LEU B 61 -7.281 -2.701 3.256 1.00 0.10 H \nATOM 4465 HD13 LEU B 61 -6.909 -3.453 4.845 1.00 0.10 H \nATOM 4466 H LEU B 61 -3.186 -3.341 5.440 1.00 0.27 H \nATOM 4467 N LEU B 62 -3.123 -1.623 8.187 1.00 -0.42 N \nATOM 4468 CA LEU B 62 -2.944 -1.233 9.543 1.00 -0.05 C \nATOM 4469 C LEU B 62 -1.648 -0.446 9.643 1.00 0.60 C \nATOM 4470 O LEU B 62 -1.601 0.591 10.296 1.00 -0.57 O \nATOM 4471 CB LEU B 62 -2.923 -2.473 10.439 1.00 -0.11 C \nATOM 4472 CG LEU B 62 -2.753 -2.262 11.935 1.00 0.35 C \nATOM 4473 CD1 LEU B 62 -3.853 -1.391 12.490 1.00 -0.41 C \nATOM 4474 CD2 LEU B 62 -2.681 -3.601 12.670 1.00 -0.41 C \nATOM 4475 HA LEU B 62 -3.780 -0.588 9.852 1.00 0.09 H \nATOM 4476 HB2 LEU B 62 -3.875 -3.003 10.288 1.00 0.05 H \nATOM 4477 HB3 LEU B 62 -2.092 -3.109 10.101 1.00 0.05 H \nATOM 4478 HG LEU B 62 -1.799 -1.739 12.095 1.00 -0.04 H \nATOM 4479 HD21 LEU B 62 -1.830 -4.184 12.288 1.00 0.10 H \nATOM 4480 HD22 LEU B 62 -2.548 -3.421 13.747 1.00 0.10 H \nATOM 4481 HD23 LEU B 62 -3.613 -4.161 12.504 1.00 0.10 H \nATOM 4482 HD11 LEU B 62 -4.827 -1.866 12.302 1.00 0.10 H \nATOM 4483 HD12 LEU B 62 -3.710 -1.265 13.573 1.00 0.10 H \nATOM 4484 HD13 LEU B 62 -3.824 -0.407 11.999 1.00 0.10 H \nATOM 4485 H LEU B 62 -3.095 -2.594 7.950 1.00 0.27 H \nATOM 4486 N LEU B 63 -0.606 -0.947 8.998 1.00 -0.42 N \nATOM 4487 CA LEU B 63 0.698 -0.310 9.019 1.00 -0.05 C \nATOM 4488 C LEU B 63 0.630 1.061 8.354 1.00 0.60 C \nATOM 4489 O LEU B 63 1.036 2.067 8.959 1.00 -0.57 O \nATOM 4490 CB LEU B 63 1.765 -1.204 8.338 1.00 -0.11 C \nATOM 4491 CG LEU B 63 2.239 -2.460 9.097 1.00 0.35 C \nATOM 4492 CD1 LEU B 63 3.344 -3.189 8.333 1.00 -0.41 C \nATOM 4493 CD2 LEU B 63 2.757 -2.087 10.470 1.00 -0.41 C \nATOM 4494 HA LEU B 63 0.993 -0.168 10.069 1.00 0.09 H \nATOM 4495 HB2 LEU B 63 1.348 -1.539 7.377 1.00 0.05 H \nATOM 4496 HB3 LEU B 63 2.650 -0.577 8.155 1.00 0.05 H \nATOM 4497 HG LEU B 63 1.382 -3.140 9.212 1.00 -0.04 H \nATOM 4498 HD21 LEU B 63 1.957 -1.594 11.042 1.00 0.10 H \nATOM 4499 HD22 LEU B 63 3.080 -2.995 10.999 1.00 0.10 H \nATOM 4500 HD23 LEU B 63 3.610 -1.400 10.366 1.00 0.10 H \nATOM 4501 HD11 LEU B 63 4.200 -2.513 8.192 1.00 0.10 H \nATOM 4502 HD12 LEU B 63 3.665 -4.072 8.906 1.00 0.10 H \nATOM 4503 HD13 LEU B 63 2.962 -3.508 7.352 1.00 0.10 H \nATOM 4504 H LEU B 63 -0.721 -1.794 8.478 1.00 0.27 H \nATOM 4505 N GLU B 64 0.064 1.118 7.150 1.00 -0.52 N \nATOM 4506 CA GLU B 64 -0.024 2.390 6.416 1.00 0.04 C \nATOM 4507 C GLU B 64 -0.841 3.463 7.152 1.00 0.54 C \nATOM 4508 O GLU B 64 -0.481 4.619 7.121 1.00 -0.58 O \nATOM 4509 CB GLU B 64 -0.594 2.177 5.006 1.00 0.06 C \nATOM 4510 CG GLU B 64 0.391 1.509 4.046 1.00 0.01 C \nATOM 4511 CD GLU B 64 1.464 2.473 3.540 1.00 0.81 C \nATOM 4512 OE1 GLU B 64 1.098 3.435 2.831 1.00 -0.82 O \nATOM 4513 OE2 GLU B 64 2.670 2.281 3.849 1.00 -0.82 O \nATOM 4514 HA GLU B 64 1.001 2.774 6.310 1.00 0.11 H \nATOM 4515 HB2 GLU B 64 -1.489 1.542 5.084 1.00 -0.02 H \nATOM 4516 HB3 GLU B 64 -0.874 3.157 4.592 1.00 -0.02 H \nATOM 4517 HG2 GLU B 64 0.884 0.677 4.570 1.00 -0.04 H \nATOM 4518 HG3 GLU B 64 -0.168 1.119 3.182 1.00 -0.04 H \nATOM 4519 H GLU B 64 -0.306 0.285 6.739 1.00 0.29 H \nATOM 4520 N HIS B 65 -1.914 3.064 7.834 1.00 -0.42 N \nATOM 4521 CA HIS B 65 -2.856 4.015 8.432 1.00 0.02 C \nATOM 4522 C HIS B 65 -2.677 4.250 9.927 1.00 0.60 C \nATOM 4523 O HIS B 65 -3.024 5.322 10.427 1.00 -0.57 O \nATOM 4524 CB HIS B 65 -4.295 3.582 8.144 1.00 -0.05 C \nATOM 4525 CG HIS B 65 -4.657 3.670 6.694 1.00 -0.03 C \nATOM 4526 ND1 HIS B 65 -5.273 4.777 6.150 1.00 -0.38 N \nATOM 4527 CD2 HIS B 65 -4.467 2.803 5.667 1.00 0.13 C \nATOM 4528 CE1 HIS B 65 -5.463 4.582 4.857 1.00 0.21 C \nATOM 4529 NE2 HIS B 65 -4.987 3.391 4.540 1.00 -0.57 N \nATOM 4530 HA HIS B 65 -2.689 4.982 7.935 1.00 0.09 H \nATOM 4531 HB2 HIS B 65 -4.419 2.540 8.473 1.00 0.04 H \nATOM 4532 HB3 HIS B 65 -4.976 4.230 8.715 1.00 0.04 H \nATOM 4533 HD2 HIS B 65 -3.992 1.825 5.726 1.00 0.11 H \nATOM 4534 HE1 HIS B 65 -5.932 5.284 4.169 1.00 0.14 H \nATOM 4535 HD1 HIS B 65 -5.543 5.624 6.670 1.00 0.36 H \nATOM 4536 H HIS B 65 -2.082 2.084 7.941 1.00 0.27 H \nATOM 4537 N CYS B 66 -2.149 3.278 10.656 1.00 -0.42 N \nATOM 4538 CA CYS B 66 -2.006 3.464 12.115 1.00 0.02 C \nATOM 4539 C CYS B 66 -0.578 3.497 12.589 1.00 0.60 C \nATOM 4540 O CYS B 66 -0.314 3.938 13.720 1.00 -0.57 O \nATOM 4541 CB CYS B 66 -2.786 2.390 12.871 1.00 -0.12 C \nATOM 4542 SG CYS B 66 -4.515 2.327 12.368 1.00 -0.31 S \nATOM 4543 HA CYS B 66 -2.452 4.439 12.361 1.00 0.11 H \nATOM 4544 HB2 CYS B 66 -2.324 1.411 12.675 1.00 0.11 H \nATOM 4545 HB3 CYS B 66 -2.738 2.609 13.948 1.00 0.11 H \nATOM 4546 HG CYS B 66 -4.991 1.608 12.890 1.00 0.19 H \nATOM 4547 H CYS B 66 -1.850 2.427 10.223 1.00 0.27 H \nATOM 4548 N LYS B 67 0.335 3.049 11.727 1.00 -0.35 N \nATOM 4549 CA LYS B 67 1.763 3.002 12.019 1.00 -0.24 C \nATOM 4550 C LYS B 67 2.051 2.556 13.447 1.00 0.73 C \nATOM 4551 O LYS B 67 2.638 3.290 14.231 1.00 -0.59 O \nATOM 4552 CB LYS B 67 2.403 4.363 11.758 1.00 -0.01 C \nATOM 4553 CG LYS B 67 2.259 4.865 10.320 1.00 0.02 C \nATOM 4554 CD LYS B 67 3.066 6.141 10.137 1.00 -0.05 C \nATOM 4555 CE LYS B 67 3.085 6.639 8.708 1.00 -0.01 C \nATOM 4556 NZ LYS B 67 3.936 5.755 7.863 1.00 -0.39 N \nATOM 4557 HA LYS B 67 2.221 2.269 11.338 1.00 0.14 H \nATOM 4558 HB2 LYS B 67 1.933 5.098 12.428 1.00 0.04 H \nATOM 4559 HB3 LYS B 67 3.476 4.289 11.990 1.00 0.04 H \nATOM 4560 HG2 LYS B 67 2.629 4.096 9.626 1.00 0.01 H \nATOM 4561 HG3 LYS B 67 1.199 5.070 10.109 1.00 0.01 H \nATOM 4562 HD2 LYS B 67 2.629 6.924 10.774 1.00 0.06 H \nATOM 4563 HD3 LYS B 67 4.102 5.947 10.453 1.00 0.06 H \nATOM 4564 HE2 LYS B 67 2.059 6.642 8.311 1.00 0.11 H \nATOM 4565 HE3 LYS B 67 3.490 7.662 8.686 1.00 0.11 H \nATOM 4566 HZ1 LYS B 67 3.572 4.815 7.887 1.00 0.34 H \nATOM 4567 HZ2 LYS B 67 3.932 6.093 6.913 1.00 0.34 H \nATOM 4568 HZ3 LYS B 67 4.880 5.759 8.217 1.00 0.34 H \nATOM 4569 H LYS B 67 0.024 2.728 10.832 1.00 0.27 H \nATOM 4570 N PRO B 68 1.653 1.331 13.794 1.00 -0.25 N \nATOM 4571 CA PRO B 68 1.922 0.788 15.122 1.00 -0.03 C \nATOM 4572 C PRO B 68 3.383 0.409 15.300 1.00 0.59 C \nATOM 4573 O PRO B 68 4.033 0.068 14.332 1.00 -0.57 O \nATOM 4574 CB PRO B 68 1.047 -0.465 15.155 1.00 -0.01 C \nATOM 4575 CG PRO B 68 0.978 -0.902 13.744 1.00 0.02 C \nATOM 4576 CD PRO B 68 0.961 0.355 12.926 1.00 0.02 C \nATOM 4577 HA PRO B 68 1.630 1.502 15.906 1.00 0.06 H \nATOM 4578 HD3 PRO B 68 -0.070 0.675 12.716 1.00 0.04 H \nATOM 4579 HD2 PRO B 68 1.502 0.216 11.978 1.00 0.04 H \nATOM 4580 HG3 PRO B 68 0.062 -1.486 13.568 1.00 0.02 H \nATOM 4581 HG2 PRO B 68 1.857 -1.513 13.489 1.00 0.02 H \nATOM 4582 HB2 PRO B 68 1.506 -1.244 15.782 1.00 0.03 H \nATOM 4583 HB3 PRO B 68 0.044 -0.229 15.539 1.00 0.03 H \nATOM 4584 N ASP B 69 3.884 0.447 16.533 1.00 -0.52 N \nATOM 4585 CA ASP B 69 5.265 0.081 16.840 1.00 0.04 C \nATOM 4586 C ASP B 69 5.513 -1.413 16.866 1.00 0.54 C \nATOM 4587 O ASP B 69 6.610 -1.845 16.620 1.00 -0.58 O \nATOM 4588 CB ASP B 69 5.654 0.669 18.199 1.00 -0.03 C \nATOM 4589 CG ASP B 69 5.408 2.156 18.245 1.00 0.80 C \nATOM 4590 OD1 ASP B 69 5.999 2.896 17.419 1.00 -0.80 O \nATOM 4591 OD2 ASP B 69 4.568 2.572 19.051 1.00 -0.80 O \nATOM 4592 HA ASP B 69 5.911 0.519 16.064 1.00 0.09 H \nATOM 4593 HB2 ASP B 69 5.056 0.183 18.984 1.00 -0.01 H \nATOM 4594 HB3 ASP B 69 6.722 0.477 18.380 1.00 -0.01 H \nATOM 4595 H ASP B 69 3.289 0.739 17.282 1.00 0.29 H \nATOM 4596 N VAL B 70 4.503 -2.183 17.255 1.00 -0.42 N \nATOM 4597 CA VAL B 70 4.535 -3.638 17.258 1.00 -0.09 C \nATOM 4598 C VAL B 70 3.191 -4.183 16.805 1.00 0.60 C \nATOM 4599 O VAL B 70 2.182 -3.518 16.952 1.00 -0.57 O \nATOM 4600 CB VAL B 70 4.784 -4.229 18.661 1.00 0.30 C \nATOM 4601 CG1 VAL B 70 6.064 -3.692 19.246 1.00 -0.32 C \nATOM 4602 CG2 VAL B 70 3.632 -3.951 19.602 1.00 -0.32 C \nATOM 4603 HA VAL B 70 5.328 -3.974 16.574 1.00 0.10 H \nATOM 4604 HB VAL B 70 4.883 -5.319 18.556 1.00 -0.03 H \nATOM 4605 HG11 VAL B 70 6.003 -2.596 19.319 1.00 0.08 H \nATOM 4606 HG12 VAL B 70 6.216 -4.118 20.249 1.00 0.08 H \nATOM 4607 HG13 VAL B 70 6.908 -3.970 18.598 1.00 0.08 H \nATOM 4608 HG21 VAL B 70 2.710 -4.390 19.193 1.00 0.08 H \nATOM 4609 HG22 VAL B 70 3.845 -4.397 20.585 1.00 0.08 H \nATOM 4610 HG23 VAL B 70 3.503 -2.864 19.713 1.00 0.08 H \nATOM 4611 H VAL B 70 3.666 -1.733 17.566 1.00 0.27 H \nATOM 4612 N ILE B 71 3.196 -5.411 16.271 1.00 -0.42 N \nATOM 4613 CA ILE B 71 1.951 -6.130 15.975 1.00 -0.06 C \nATOM 4614 C ILE B 71 1.887 -7.441 16.748 1.00 0.60 C \nATOM 4615 O ILE B 71 2.857 -8.187 16.778 1.00 -0.57 O \nATOM 4616 CB ILE B 71 1.770 -6.344 14.465 1.00 0.13 C \nATOM 4617 CG1 ILE B 71 1.436 -4.992 13.803 1.00 -0.04 C \nATOM 4618 CG2 ILE B 71 0.649 -7.356 14.184 1.00 -0.32 C \nATOM 4619 CD1 ILE B 71 1.530 -5.007 12.299 1.00 -0.07 C \nATOM 4620 HA ILE B 71 1.116 -5.503 16.319 1.00 0.09 H \nATOM 4621 HB ILE B 71 2.710 -6.730 14.043 1.00 0.02 H \nATOM 4622 HG12 ILE B 71 0.409 -4.714 14.083 1.00 0.02 H \nATOM 4623 HG13 ILE B 71 2.138 -4.236 14.186 1.00 0.02 H \nATOM 4624 HD11 ILE B 71 0.833 -5.756 11.895 1.00 0.02 H \nATOM 4625 HD12 ILE B 71 1.268 -4.014 11.905 1.00 0.02 H \nATOM 4626 HD13 ILE B 71 2.557 -5.262 11.998 1.00 0.02 H \nATOM 4627 HG21 ILE B 71 -0.294 -6.987 14.612 1.00 0.09 H \nATOM 4628 HG22 ILE B 71 0.533 -7.483 13.097 1.00 0.09 H \nATOM 4629 HG23 ILE B 71 0.905 -8.323 14.641 1.00 0.09 H \nATOM 4630 H ILE B 71 4.071 -5.850 16.068 1.00 0.27 H \nATOM 4631 N ILE B 72 0.729 -7.713 17.347 1.00 -0.42 N \nATOM 4632 CA ILE B 72 0.414 -8.986 17.972 1.00 -0.06 C \nATOM 4633 C ILE B 72 -0.717 -9.641 17.168 1.00 0.60 C \nATOM 4634 O ILE B 72 -1.766 -9.067 16.986 1.00 -0.57 O \nATOM 4635 CB ILE B 72 0.003 -8.810 19.442 1.00 0.13 C \nATOM 4636 CG1 ILE B 72 1.098 -8.109 20.222 1.00 -0.04 C \nATOM 4637 CG2 ILE B 72 -0.302 -10.142 20.124 1.00 -0.32 C \nATOM 4638 CD1 ILE B 72 0.587 -7.473 21.501 1.00 -0.07 C \nATOM 4639 HA ILE B 72 1.304 -9.632 17.935 1.00 0.09 H \nATOM 4640 HB ILE B 72 -0.905 -8.189 19.470 1.00 0.02 H \nATOM 4641 HG12 ILE B 72 1.874 -8.845 20.480 1.00 0.02 H \nATOM 4642 HG13 ILE B 72 1.535 -7.323 19.588 1.00 0.02 H \nATOM 4643 HD11 ILE B 72 0.145 -8.248 22.145 1.00 0.02 H \nATOM 4644 HD12 ILE B 72 1.422 -6.990 22.029 1.00 0.02 H \nATOM 4645 HD13 ILE B 72 -0.177 -6.720 21.256 1.00 0.02 H \nATOM 4646 HG21 ILE B 72 0.589 -10.786 20.086 1.00 0.09 H \nATOM 4647 HG22 ILE B 72 -0.580 -9.962 21.173 1.00 0.09 H \nATOM 4648 HG23 ILE B 72 -1.135 -10.638 19.604 1.00 0.09 H \nATOM 4649 H ILE B 72 0.032 -6.996 17.368 1.00 0.27 H \nATOM 4650 N ASN B 73 -0.470 -10.821 16.626 1.00 -0.42 N \nATOM 4651 CA ASN B 73 -1.513 -11.602 16.008 1.00 0.01 C \nATOM 4652 C ASN B 73 -2.151 -12.517 17.032 1.00 0.60 C \nATOM 4653 O ASN B 73 -1.472 -13.360 17.644 1.00 -0.57 O \nATOM 4654 CB ASN B 73 -0.941 -12.406 14.854 1.00 -0.20 C \nATOM 4655 CG ASN B 73 -1.948 -13.355 14.224 1.00 0.71 C \nATOM 4656 OD1 ASN B 73 -1.572 -14.442 13.804 1.00 -0.59 O \nATOM 4657 ND2 ASN B 73 -3.205 -12.926 14.082 1.00 -0.92 N \nATOM 4658 HA ASN B 73 -2.283 -10.921 15.616 1.00 0.10 H \nATOM 4659 HB2 ASN B 73 -0.590 -11.706 14.081 1.00 0.08 H \nATOM 4660 HB3 ASN B 73 -0.091 -12.996 15.227 1.00 0.08 H \nATOM 4661 HD22 ASN B 73 -3.894 -13.524 13.672 1.00 0.42 H \nATOM 4662 HD21 ASN B 73 -3.457 -12.007 14.386 1.00 0.42 H \nATOM 4663 H ASN B 73 0.463 -11.181 16.645 1.00 0.27 H \nATOM 4664 N THR B 74 -3.461 -12.373 17.197 1.00 -0.42 N \nATOM 4665 CA THR B 74 -4.221 -13.166 18.197 1.00 -0.04 C \nATOM 4666 C THR B 74 -5.389 -13.937 17.574 1.00 0.60 C \nATOM 4667 O THR B 74 -5.739 -13.742 16.393 1.00 -0.57 O \nATOM 4668 CB THR B 74 -4.796 -12.283 19.324 1.00 0.37 C \nATOM 4669 OG1 THR B 74 -5.285 -13.115 20.391 1.00 -0.68 O \nATOM 4670 CG2 THR B 74 -5.929 -11.416 18.825 1.00 -0.24 C \nATOM 4671 HA THR B 74 -3.524 -13.891 18.643 1.00 0.10 H \nATOM 4672 HB THR B 74 -3.994 -11.635 19.708 1.00 0.00 H \nATOM 4673 HG1 THR B 74 -5.638 -12.568 21.083 1.00 0.41 H \nATOM 4674 HG23 THR B 74 -5.550 -10.407 18.608 1.00 0.06 H \nATOM 4675 HG21 THR B 74 -6.350 -11.855 17.908 1.00 0.06 H \nATOM 4676 HG22 THR B 74 -6.711 -11.356 19.596 1.00 0.06 H \nATOM 4677 H THR B 74 -3.951 -11.710 16.631 1.00 0.27 H \nATOM 4678 N GLY B 75 -5.996 -14.808 18.373 1.00 -0.42 N \nATOM 4679 CA GLY B 75 -7.046 -15.705 17.875 1.00 -0.03 C \nATOM 4680 C GLY B 75 -6.889 -17.150 18.313 1.00 0.60 C \nATOM 4681 O GLY B 75 -6.246 -17.459 19.310 1.00 -0.57 O \nATOM 4682 HA3 GLY B 75 -8.016 -15.337 18.241 1.00 0.07 H \nATOM 4683 HA2 GLY B 75 -7.033 -15.674 16.776 1.00 0.07 H \nATOM 4684 H GLY B 75 -5.731 -14.854 19.336 1.00 0.27 H \nATOM 4685 N SER B 76 -7.520 -18.019 17.539 1.00 -0.42 N \nATOM 4686 CA SER B 76 -7.566 -19.438 17.766 1.00 -0.02 C \nATOM 4687 C SER B 76 -6.470 -20.115 16.945 1.00 0.60 C \nATOM 4688 O SER B 76 -5.858 -19.481 16.070 1.00 -0.57 O \nATOM 4689 CB SER B 76 -8.959 -19.955 17.379 1.00 0.21 C \nATOM 4690 OG SER B 76 -9.203 -19.815 15.986 1.00 -0.65 O \nATOM 4691 HA SER B 76 -7.391 -19.644 18.832 1.00 0.08 H \nATOM 4692 HB2 SER B 76 -9.032 -21.019 17.649 1.00 0.04 H \nATOM 4693 HB3 SER B 76 -9.718 -19.383 17.933 1.00 0.04 H \nATOM 4694 HG SER B 76 -10.071 -20.143 15.782 1.00 0.43 H \nATOM 4695 H SER B 76 -8.000 -17.662 16.737 1.00 0.27 H \nATOM 4696 N ALA B 77 -6.196 -21.370 17.263 1.00 -0.42 N \nATOM 4697 CA ALA B 77 -5.190 -22.174 16.542 1.00 0.03 C \nATOM 4698 C ALA B 77 -5.472 -23.639 16.691 1.00 0.60 C \nATOM 4699 O ALA B 77 -6.031 -24.067 17.709 1.00 -0.57 O \nATOM 4700 CB ALA B 77 -3.770 -21.872 17.033 1.00 -0.18 C \nATOM 4701 HA ALA B 77 -5.248 -21.915 15.474 1.00 0.08 H \nATOM 4702 HB1 ALA B 77 -3.050 -22.488 16.474 1.00 0.06 H \nATOM 4703 HB2 ALA B 77 -3.545 -20.808 16.871 1.00 0.06 H \nATOM 4704 HB3 ALA B 77 -3.696 -22.104 18.106 1.00 0.06 H \nATOM 4705 H ALA B 77 -6.691 -21.791 18.023 1.00 0.27 H \nATOM 4706 N GLY B 78 -5.087 -24.399 15.658 1.00 -0.42 N \nATOM 4707 CA GLY B 78 -5.064 -25.829 15.681 1.00 -0.03 C \nATOM 4708 C GLY B 78 -3.818 -26.252 16.437 1.00 0.60 C \nATOM 4709 O GLY B 78 -2.735 -25.913 16.048 1.00 -0.57 O \nATOM 4710 HA3 GLY B 78 -5.961 -26.211 16.191 1.00 0.07 H \nATOM 4711 HA2 GLY B 78 -5.031 -26.221 14.654 1.00 0.07 H \nATOM 4712 H GLY B 78 -4.798 -23.938 14.819 1.00 0.27 H \nATOM 4713 N GLY B 79 -3.986 -26.998 17.523 1.00 -0.42 N \nATOM 4714 CA GLY B 79 -2.856 -27.461 18.308 1.00 -0.03 C \nATOM 4715 C GLY B 79 -2.194 -28.726 17.798 1.00 0.60 C \nATOM 4716 O GLY B 79 -2.797 -29.815 17.821 1.00 -0.57 O \nATOM 4717 HA3 GLY B 79 -2.100 -26.662 18.321 1.00 0.07 H \nATOM 4718 HA2 GLY B 79 -3.208 -27.650 19.333 1.00 0.07 H \nATOM 4719 H GLY B 79 -4.912 -27.246 17.806 1.00 0.27 H \nATOM 4720 N LEU B 80 -0.937 -28.600 17.377 1.00 -0.42 N \nATOM 4721 CA LEU B 80 -0.212 -29.728 16.801 1.00 -0.05 C \nATOM 4722 C LEU B 80 0.678 -30.421 17.830 1.00 0.60 C \nATOM 4723 O LEU B 80 0.888 -31.652 17.731 1.00 -0.57 O \nATOM 4724 CB LEU B 80 0.626 -29.293 15.601 1.00 -0.11 C \nATOM 4725 CG LEU B 80 -0.146 -28.693 14.438 1.00 0.35 C \nATOM 4726 CD1 LEU B 80 0.815 -28.271 13.347 1.00 -0.41 C \nATOM 4727 CD2 LEU B 80 -1.178 -29.692 13.918 1.00 -0.41 C \nATOM 4728 HA LEU B 80 -0.956 -30.458 16.451 1.00 0.09 H \nATOM 4729 HB2 LEU B 80 1.350 -28.541 15.949 1.00 0.05 H \nATOM 4730 HB3 LEU B 80 1.165 -30.176 15.228 1.00 0.05 H \nATOM 4731 HG LEU B 80 -0.680 -27.800 14.794 1.00 -0.04 H \nATOM 4732 HD21 LEU B 80 -1.876 -29.953 14.727 1.00 0.10 H \nATOM 4733 HD22 LEU B 80 -1.736 -29.242 13.084 1.00 0.10 H \nATOM 4734 HD23 LEU B 80 -0.665 -30.600 13.568 1.00 0.10 H \nATOM 4735 HD11 LEU B 80 1.386 -29.146 13.002 1.00 0.10 H \nATOM 4736 HD12 LEU B 80 0.250 -27.847 12.504 1.00 0.10 H \nATOM 4737 HD13 LEU B 80 1.508 -27.513 13.742 1.00 0.10 H \nATOM 4738 H LEU B 80 -0.480 -27.714 17.457 1.00 0.27 H \nATOM 4739 N ALA B 81 1.216 -29.647 18.766 1.00 -0.42 N \nATOM 4740 CA ALA B 81 2.145 -30.164 19.764 1.00 0.03 C \nATOM 4741 C ALA B 81 1.438 -31.172 20.647 1.00 0.60 C \nATOM 4742 O ALA B 81 0.295 -30.950 21.061 1.00 -0.57 O \nATOM 4743 CB ALA B 81 2.688 -29.043 20.617 1.00 -0.18 C \nATOM 4744 HA ALA B 81 2.982 -30.659 19.249 1.00 0.08 H \nATOM 4745 HB1 ALA B 81 3.385 -29.454 21.362 1.00 0.06 H \nATOM 4746 HB2 ALA B 81 3.217 -28.320 19.979 1.00 0.06 H \nATOM 4747 HB3 ALA B 81 1.857 -28.538 21.132 1.00 0.06 H \nATOM 4748 H ALA B 81 0.976 -28.677 18.787 1.00 0.27 H \nATOM 4749 N SER B 82 2.147 -32.264 20.950 1.00 -0.42 N \nATOM 4750 CA SER B 82 1.589 -33.423 21.636 1.00 -0.02 C \nATOM 4751 C SER B 82 0.929 -33.187 22.988 1.00 0.60 C \nATOM 4752 O SER B 82 0.143 -34.005 23.425 1.00 -0.57 O \nATOM 4753 CB SER B 82 2.688 -34.466 21.823 1.00 0.21 C \nATOM 4754 OG SER B 82 3.631 -34.010 22.777 1.00 -0.65 O \nATOM 4755 HA SER B 82 0.818 -33.842 20.973 1.00 0.08 H \nATOM 4756 HB2 SER B 82 2.241 -35.408 22.174 1.00 0.04 H \nATOM 4757 HB3 SER B 82 3.195 -34.637 20.862 1.00 0.04 H \nATOM 4758 HG SER B 82 4.311 -34.664 22.888 1.00 0.43 H \nATOM 4759 H SER B 82 3.113 -32.287 20.692 1.00 0.27 H \nATOM 4760 N THR B 83 1.237 -32.092 23.666 1.00 -0.42 N \nATOM 4761 CA THR B 83 0.683 -31.876 24.992 1.00 -0.04 C \nATOM 4762 C THR B 83 -0.384 -30.789 24.996 1.00 0.60 C \nATOM 4763 O THR B 83 -0.814 -30.378 26.071 1.00 -0.57 O \nATOM 4764 CB THR B 83 1.767 -31.422 25.956 1.00 0.37 C \nATOM 4765 OG1 THR B 83 2.349 -30.236 25.431 1.00 -0.68 O \nATOM 4766 CG2 THR B 83 2.846 -32.468 26.099 1.00 -0.24 C \nATOM 4767 HA THR B 83 0.244 -32.820 25.347 1.00 0.10 H \nATOM 4768 HB THR B 83 1.322 -31.220 26.941 1.00 0.00 H \nATOM 4769 HG1 THR B 83 3.032 -29.932 26.018 1.00 0.41 H \nATOM 4770 HG23 THR B 83 2.668 -33.056 27.012 1.00 0.06 H \nATOM 4771 HG21 THR B 83 2.828 -33.135 25.224 1.00 0.06 H \nATOM 4772 HG22 THR B 83 3.827 -31.976 26.165 1.00 0.06 H \nATOM 4773 H THR B 83 1.852 -31.413 23.265 1.00 0.27 H \nATOM 4774 N LEU B 84 -0.816 -30.320 23.828 1.00 -0.42 N \nATOM 4775 CA LEU B 84 -1.763 -29.209 23.792 1.00 -0.05 C \nATOM 4776 C LEU B 84 -3.195 -29.658 23.999 1.00 0.60 C \nATOM 4777 O LEU B 84 -3.568 -30.722 23.560 1.00 -0.57 O \nATOM 4778 CB LEU B 84 -1.658 -28.445 22.470 1.00 -0.11 C \nATOM 4779 CG LEU B 84 -0.316 -27.726 22.310 1.00 0.35 C \nATOM 4780 CD1 LEU B 84 -0.166 -27.097 20.933 1.00 -0.41 C \nATOM 4781 CD2 LEU B 84 -0.195 -26.649 23.376 1.00 -0.41 C \nATOM 4782 HA LEU B 84 -1.502 -28.521 24.610 1.00 0.09 H \nATOM 4783 HB2 LEU B 84 -1.777 -29.158 21.641 1.00 0.05 H \nATOM 4784 HB3 LEU B 84 -2.465 -27.698 22.430 1.00 0.05 H \nATOM 4785 HG LEU B 84 0.492 -28.459 22.448 1.00 -0.04 H \nATOM 4786 HD21 LEU B 84 -0.259 -27.110 24.372 1.00 0.10 H \nATOM 4787 HD22 LEU B 84 0.773 -26.136 23.271 1.00 0.10 H \nATOM 4788 HD23 LEU B 84 -1.011 -25.921 23.256 1.00 0.10 H \nATOM 4789 HD11 LEU B 84 -0.976 -26.370 20.772 1.00 0.10 H \nATOM 4790 HD12 LEU B 84 0.805 -26.585 20.868 1.00 0.10 H \nATOM 4791 HD13 LEU B 84 -0.219 -27.882 20.164 1.00 0.10 H \nATOM 4792 H LEU B 84 -0.492 -30.728 22.975 1.00 0.27 H \nATOM 4793 N LYS B 85 -3.968 -28.797 24.657 1.00 -0.35 N \nATOM 4794 CA LYS B 85 -5.394 -28.943 24.897 1.00 -0.24 C \nATOM 4795 C LYS B 85 -6.055 -27.637 24.518 1.00 0.73 C \nATOM 4796 O LYS B 85 -5.460 -26.583 24.665 1.00 -0.59 O \nATOM 4797 CB LYS B 85 -5.718 -29.046 26.400 1.00 -0.01 C \nATOM 4798 CG LYS B 85 -5.343 -30.286 27.148 1.00 0.02 C \nATOM 4799 CD LYS B 85 -5.897 -30.153 28.570 1.00 -0.05 C \nATOM 4800 CE LYS B 85 -5.127 -29.144 29.431 1.00 -0.01 C \nATOM 4801 NZ LYS B 85 -6.018 -28.416 30.385 1.00 -0.39 N \nATOM 4802 HA LYS B 85 -5.796 -29.799 24.335 1.00 0.14 H \nATOM 4803 HB2 LYS B 85 -5.209 -28.206 26.896 1.00 0.04 H \nATOM 4804 HB3 LYS B 85 -6.807 -28.927 26.502 1.00 0.04 H \nATOM 4805 HG2 LYS B 85 -5.780 -31.168 26.656 1.00 0.01 H \nATOM 4806 HG3 LYS B 85 -4.248 -30.389 27.180 1.00 0.01 H \nATOM 4807 HD2 LYS B 85 -6.946 -29.829 28.507 1.00 0.06 H \nATOM 4808 HD3 LYS B 85 -5.847 -31.138 29.058 1.00 0.06 H \nATOM 4809 HE2 LYS B 85 -4.359 -29.683 30.005 1.00 0.11 H \nATOM 4810 HE3 LYS B 85 -4.643 -28.411 28.769 1.00 0.11 H \nATOM 4811 HZ1 LYS B 85 -6.469 -29.079 30.996 1.00 0.34 H \nATOM 4812 HZ2 LYS B 85 -5.469 -27.773 30.934 1.00 0.34 H \nATOM 4813 HZ3 LYS B 85 -6.717 -27.905 29.869 1.00 0.34 H \nATOM 4814 H LYS B 85 -3.528 -27.975 25.019 1.00 0.27 H \nATOM 4815 N VAL B 86 -7.340 -27.719 24.201 1.00 -0.42 N \nATOM 4816 CA VAL B 86 -8.172 -26.552 24.008 1.00 -0.09 C \nATOM 4817 C VAL B 86 -7.989 -25.540 25.168 1.00 0.60 C \nATOM 4818 O VAL B 86 -8.003 -25.931 26.356 1.00 -0.57 O \nATOM 4819 CB VAL B 86 -9.653 -26.978 23.899 1.00 0.30 C \nATOM 4820 CG1 VAL B 86 -10.563 -25.799 24.156 1.00 -0.32 C \nATOM 4821 CG2 VAL B 86 -9.922 -27.594 22.528 1.00 -0.32 C \nATOM 4822 HA VAL B 86 -7.876 -26.062 23.069 1.00 0.10 H \nATOM 4823 HB VAL B 86 -9.853 -27.741 24.666 1.00 -0.03 H \nATOM 4824 HG11 VAL B 86 -10.355 -25.008 23.420 1.00 0.08 H \nATOM 4825 HG12 VAL B 86 -11.612 -26.118 24.064 1.00 0.08 H \nATOM 4826 HG13 VAL B 86 -10.385 -25.413 25.170 1.00 0.08 H \nATOM 4827 HG21 VAL B 86 -9.274 -28.471 22.387 1.00 0.08 H \nATOM 4828 HG22 VAL B 86 -10.976 -27.903 22.465 1.00 0.08 H \nATOM 4829 HG23 VAL B 86 -9.710 -26.852 21.745 1.00 0.08 H \nATOM 4830 H VAL B 86 -7.750 -28.624 24.091 1.00 0.27 H \nATOM 4831 N GLY B 87 -7.735 -24.282 24.804 1.00 -0.42 N \nATOM 4832 CA GLY B 87 -7.570 -23.185 25.764 1.00 -0.03 C \nATOM 4833 C GLY B 87 -6.135 -22.867 26.135 1.00 0.60 C \nATOM 4834 O GLY B 87 -5.848 -21.789 26.652 1.00 -0.57 O \nATOM 4835 HA3 GLY B 87 -8.018 -22.280 25.328 1.00 0.07 H \nATOM 4836 HA2 GLY B 87 -8.109 -23.454 26.685 1.00 0.07 H \nATOM 4837 H GLY B 87 -7.653 -24.077 23.829 1.00 0.27 H \nATOM 4838 N ASP B 88 -5.232 -23.805 25.898 1.00 -0.52 N \nATOM 4839 CA ASP B 88 -3.804 -23.566 26.052 1.00 0.04 C \nATOM 4840 C ASP B 88 -3.343 -22.466 25.103 1.00 0.54 C \nATOM 4841 O ASP B 88 -3.968 -22.205 24.088 1.00 -0.58 O \nATOM 4842 CB ASP B 88 -2.990 -24.816 25.738 1.00 -0.03 C \nATOM 4843 CG ASP B 88 -3.137 -25.907 26.779 1.00 0.80 C \nATOM 4844 OD1 ASP B 88 -3.758 -25.694 27.870 1.00 -0.80 O \nATOM 4845 OD2 ASP B 88 -2.634 -27.005 26.474 1.00 -0.80 O \nATOM 4846 HA ASP B 88 -3.609 -23.259 27.090 1.00 0.09 H \nATOM 4847 HB2 ASP B 88 -3.321 -25.213 24.767 1.00 -0.01 H \nATOM 4848 HB3 ASP B 88 -1.929 -24.534 25.676 1.00 -0.01 H \nATOM 4849 H ASP B 88 -5.541 -24.709 25.603 1.00 0.29 H \nATOM 4850 N ILE B 89 -2.233 -21.842 25.464 1.00 -0.42 N \nATOM 4851 CA ILE B 89 -1.685 -20.723 24.744 1.00 -0.06 C \nATOM 4852 C ILE B 89 -0.543 -21.227 23.880 1.00 0.60 C \nATOM 4853 O ILE B 89 0.238 -22.091 24.308 1.00 -0.57 O \nATOM 4854 CB ILE B 89 -1.110 -19.677 25.721 1.00 0.13 C \nATOM 4855 CG1 ILE B 89 -2.220 -19.152 26.635 1.00 -0.04 C \nATOM 4856 CG2 ILE B 89 -0.431 -18.527 24.967 1.00 -0.32 C \nATOM 4857 CD1 ILE B 89 -3.390 -18.520 25.895 1.00 -0.07 C \nATOM 4858 HA ILE B 89 -2.465 -20.263 24.119 1.00 0.09 H \nATOM 4859 HB ILE B 89 -0.351 -20.170 26.347 1.00 0.02 H \nATOM 4860 HG12 ILE B 89 -2.603 -19.993 27.231 1.00 0.02 H \nATOM 4861 HG13 ILE B 89 -1.786 -18.395 27.305 1.00 0.02 H \nATOM 4862 HD11 ILE B 89 -3.841 -19.262 25.220 1.00 0.02 H \nATOM 4863 HD12 ILE B 89 -4.143 -18.180 26.621 1.00 0.02 H \nATOM 4864 HD13 ILE B 89 -3.032 -17.661 25.309 1.00 0.02 H \nATOM 4865 HG21 ILE B 89 -1.163 -18.038 24.308 1.00 0.09 H \nATOM 4866 HG22 ILE B 89 -0.041 -17.795 25.689 1.00 0.09 H \nATOM 4867 HG23 ILE B 89 0.399 -18.924 24.363 1.00 0.09 H \nATOM 4868 H ILE B 89 -1.751 -22.165 26.278 1.00 0.27 H \nATOM 4869 N VAL B 90 -0.418 -20.647 22.683 1.00 -0.42 N \nATOM 4870 CA VAL B 90 0.761 -20.864 21.871 1.00 -0.09 C \nATOM 4871 C VAL B 90 1.395 -19.538 21.497 1.00 0.60 C \nATOM 4872 O VAL B 90 0.715 -18.607 21.081 1.00 -0.57 O \nATOM 4873 CB VAL B 90 0.469 -21.701 20.598 1.00 0.30 C \nATOM 4874 CG1 VAL B 90 0.117 -23.127 20.983 1.00 -0.32 C \nATOM 4875 CG2 VAL B 90 -0.624 -21.082 19.739 1.00 -0.32 C \nATOM 4876 HA VAL B 90 1.484 -21.427 22.480 1.00 0.10 H \nATOM 4877 HB VAL B 90 1.389 -21.728 19.996 1.00 -0.03 H \nATOM 4878 HG11 VAL B 90 -0.769 -23.123 21.635 1.00 0.08 H \nATOM 4879 HG12 VAL B 90 -0.098 -23.709 20.075 1.00 0.08 H \nATOM 4880 HG13 VAL B 90 0.963 -23.582 21.518 1.00 0.08 H \nATOM 4881 HG21 VAL B 90 -0.319 -20.071 19.430 1.00 0.08 H \nATOM 4882 HG22 VAL B 90 -0.786 -21.705 18.847 1.00 0.08 H \nATOM 4883 HG23 VAL B 90 -1.557 -21.023 20.319 1.00 0.08 H \nATOM 4884 H VAL B 90 -1.149 -20.055 22.343 1.00 0.27 H \nATOM 4885 N VAL B 91 2.713 -19.472 21.640 1.00 -0.42 N \nATOM 4886 CA VAL B 91 3.469 -18.276 21.351 1.00 -0.09 C \nATOM 4887 C VAL B 91 4.445 -18.619 20.227 1.00 0.60 C \nATOM 4888 O VAL B 91 5.187 -19.590 20.320 1.00 -0.57 O \nATOM 4889 CB VAL B 91 4.255 -17.789 22.576 1.00 0.30 C \nATOM 4890 CG1 VAL B 91 4.993 -16.529 22.227 1.00 -0.32 C \nATOM 4891 CG2 VAL B 91 3.359 -17.554 23.787 1.00 -0.32 C \nATOM 4892 HA VAL B 91 2.784 -17.480 21.024 1.00 0.10 H \nATOM 4893 HB VAL B 91 4.989 -18.564 22.842 1.00 -0.03 H \nATOM 4894 HG11 VAL B 91 4.274 -15.758 21.911 1.00 0.08 H \nATOM 4895 HG12 VAL B 91 5.548 -16.174 23.107 1.00 0.08 H \nATOM 4896 HG13 VAL B 91 5.697 -16.732 21.407 1.00 0.08 H \nATOM 4897 HG21 VAL B 91 2.848 -18.491 24.052 1.00 0.08 H \nATOM 4898 HG22 VAL B 91 3.971 -17.217 24.636 1.00 0.08 H \nATOM 4899 HG23 VAL B 91 2.611 -16.784 23.546 1.00 0.08 H \nATOM 4900 H VAL B 91 3.202 -20.283 21.961 1.00 0.27 H \nATOM 4901 N SER B 92 4.504 -17.799 19.191 1.00 -0.42 N \nATOM 4902 CA SER B 92 5.415 -18.095 18.096 1.00 -0.02 C \nATOM 4903 C SER B 92 6.854 -17.735 18.461 1.00 0.60 C \nATOM 4904 O SER B 92 7.103 -16.630 18.930 1.00 -0.57 O \nATOM 4905 CB SER B 92 5.056 -17.255 16.867 1.00 0.21 C \nATOM 4906 OG SER B 92 5.261 -15.894 17.157 1.00 -0.65 O \nATOM 4907 HA SER B 92 5.349 -19.166 17.853 1.00 0.08 H \nATOM 4908 HB2 SER B 92 5.694 -17.550 16.021 1.00 0.04 H \nATOM 4909 HB3 SER B 92 4.000 -17.420 16.605 1.00 0.04 H \nATOM 4910 HG SER B 92 5.039 -15.371 16.396 1.00 0.43 H \nATOM 4911 H SER B 92 3.927 -16.983 19.161 1.00 0.27 H \nATOM 4912 N ASP B 93 7.804 -18.645 18.238 1.00 -0.52 N \nATOM 4913 CA ASP B 93 9.187 -18.180 18.026 1.00 0.04 C \nATOM 4914 C ASP B 93 9.525 -17.954 16.565 1.00 0.54 C \nATOM 4915 O ASP B 93 10.443 -17.217 16.265 1.00 -0.58 O \nATOM 4916 CB ASP B 93 10.227 -19.042 18.704 1.00 -0.03 C \nATOM 4917 CG ASP B 93 10.247 -20.458 18.236 1.00 0.80 C \nATOM 4918 OD1 ASP B 93 9.665 -20.802 17.177 1.00 -0.80 O \nATOM 4919 OD2 ASP B 93 10.852 -21.257 18.984 1.00 -0.80 O \nATOM 4920 HA ASP B 93 9.247 -17.194 18.510 1.00 0.09 H \nATOM 4921 HB2 ASP B 93 11.217 -18.602 18.514 1.00 -0.01 H \nATOM 4922 HB3 ASP B 93 10.026 -19.039 19.785 1.00 -0.01 H \nATOM 4923 H ASP B 93 7.583 -19.620 18.215 1.00 0.29 H \nATOM 4924 N GLU B 94 8.773 -18.612 15.671 1.00 -0.52 N \nATOM 4925 CA GLU B 94 9.010 -18.550 14.242 1.00 0.04 C \nATOM 4926 C GLU B 94 7.705 -18.854 13.540 1.00 0.54 C \nATOM 4927 O GLU B 94 6.847 -19.558 14.103 1.00 -0.58 O \nATOM 4928 CB GLU B 94 10.026 -19.623 13.851 1.00 0.06 C \nATOM 4929 CG GLU B 94 10.414 -19.685 12.396 1.00 0.01 C \nATOM 4930 CD GLU B 94 11.411 -20.818 12.128 1.00 0.81 C \nATOM 4931 OE1 GLU B 94 11.661 -21.627 13.055 1.00 -0.82 O \nATOM 4932 OE2 GLU B 94 11.903 -20.934 10.992 1.00 -0.82 O \nATOM 4933 HA GLU B 94 9.379 -17.553 13.958 1.00 0.11 H \nATOM 4934 HB2 GLU B 94 10.942 -19.444 14.434 1.00 -0.02 H \nATOM 4935 HB3 GLU B 94 9.602 -20.600 14.125 1.00 -0.02 H \nATOM 4936 HG2 GLU B 94 9.510 -19.854 11.792 1.00 -0.04 H \nATOM 4937 HG3 GLU B 94 10.874 -18.728 12.108 1.00 -0.04 H \nATOM 4938 H GLU B 94 8.014 -19.171 16.005 1.00 0.29 H \nATOM 4939 N THR B 95 7.546 -18.346 12.321 1.00 -0.42 N \nATOM 4940 CA THR B 95 6.417 -18.781 11.487 1.00 -0.04 C \nATOM 4941 C THR B 95 6.895 -19.207 10.092 1.00 0.60 C \nATOM 4942 O THR B 95 7.870 -18.625 9.571 1.00 -0.57 O \nATOM 4943 CB THR B 95 5.341 -17.690 11.336 1.00 0.37 C \nATOM 4944 OG1 THR B 95 5.911 -16.515 10.740 1.00 -0.68 O \nATOM 4945 CG2 THR B 95 4.713 -17.337 12.706 1.00 -0.24 C \nATOM 4946 HA THR B 95 5.955 -19.651 11.977 1.00 0.10 H \nATOM 4947 HB THR B 95 4.548 -18.071 10.676 1.00 0.00 H \nATOM 4948 HG1 THR B 95 5.240 -15.848 10.651 1.00 0.41 H \nATOM 4949 HG23 THR B 95 3.759 -17.873 12.821 1.00 0.06 H \nATOM 4950 HG21 THR B 95 5.400 -17.634 13.512 1.00 0.06 H \nATOM 4951 HG22 THR B 95 4.533 -16.253 12.758 1.00 0.06 H \nATOM 4952 H THR B 95 8.194 -17.669 11.972 1.00 0.27 H \nATOM 4953 N ARG B 96 6.176 -20.162 9.501 1.00 -0.35 N \nATOM 4954 CA ARG B 96 6.460 -20.679 8.135 1.00 -0.26 C \nATOM 4955 C ARG B 96 5.177 -21.060 7.411 1.00 0.73 C \nATOM 4956 O ARG B 96 4.195 -21.455 8.031 1.00 -0.59 O \nATOM 4957 CB ARG B 96 7.349 -21.947 8.199 1.00 -0.00 C \nATOM 4958 CG ARG B 96 8.753 -21.735 8.693 1.00 0.04 C \nATOM 4959 CD ARG B 96 9.551 -23.046 8.829 1.00 0.05 C \nATOM 4960 NE ARG B 96 10.944 -22.812 9.253 1.00 -0.53 N \nATOM 4961 CZ ARG B 96 12.054 -23.086 8.544 1.00 0.81 C \nATOM 4962 NH1 ARG B 96 12.009 -23.630 7.346 1.00 -0.86 N \nATOM 4963 NH2 ARG B 96 13.249 -22.823 9.061 1.00 -0.86 N \nATOM 4964 HA ARG B 96 6.981 -19.896 7.564 1.00 0.16 H \nATOM 4965 HB2 ARG B 96 6.860 -22.669 8.870 1.00 0.03 H \nATOM 4966 HB3 ARG B 96 7.408 -22.370 7.185 1.00 0.03 H \nATOM 4967 HG2 ARG B 96 9.278 -21.078 7.984 1.00 0.03 H \nATOM 4968 HG3 ARG B 96 8.708 -21.249 9.679 1.00 0.03 H \nATOM 4969 HD2 ARG B 96 9.057 -23.685 9.575 1.00 0.07 H \nATOM 4970 HD3 ARG B 96 9.559 -23.558 7.855 1.00 0.07 H \nATOM 4971 HE ARG B 96 11.081 -22.397 10.186 1.00 0.35 H \nATOM 4972 HH12 ARG B 96 12.882 -23.824 6.835 1.00 0.45 H \nATOM 4973 HH11 ARG B 96 11.101 -23.861 6.919 1.00 0.45 H \nATOM 4974 HH22 ARG B 96 14.101 -23.031 8.521 1.00 0.45 H \nATOM 4975 HH21 ARG B 96 13.324 -22.411 10.002 1.00 0.45 H \nATOM 4976 H ARG B 96 5.404 -20.552 10.003 1.00 0.27 H \nATOM 4977 N TYR B 97 5.178 -20.934 6.094 1.00 -0.42 N \nATOM 4978 CA TYR B 97 4.043 -21.388 5.292 1.00 -0.00 C \nATOM 4979 C TYR B 97 4.177 -22.893 5.171 1.00 0.60 C \nATOM 4980 O TYR B 97 5.245 -23.397 4.772 1.00 -0.57 O \nATOM 4981 CB TYR B 97 4.103 -20.776 3.890 1.00 -0.02 C \nATOM 4982 CG TYR B 97 3.967 -19.277 3.805 1.00 -0.00 C \nATOM 4983 CD1 TYR B 97 4.999 -18.486 3.269 1.00 -0.19 C \nATOM 4984 CD2 TYR B 97 2.808 -18.637 4.256 1.00 -0.19 C \nATOM 4985 CE1 TYR B 97 4.862 -17.117 3.148 1.00 -0.23 C \nATOM 4986 CE2 TYR B 97 2.676 -17.264 4.150 1.00 -0.23 C \nATOM 4987 CZ TYR B 97 3.708 -16.514 3.604 1.00 0.32 C \nATOM 4988 OH TYR B 97 3.558 -15.148 3.482 1.00 -0.56 O \nATOM 4989 HA TYR B 97 3.095 -21.118 5.780 1.00 0.09 H \nATOM 4990 HB3 TYR B 97 5.072 -21.050 3.447 1.00 0.03 H \nATOM 4991 HB2 TYR B 97 3.290 -21.220 3.296 1.00 0.03 H \nATOM 4992 HD2 TYR B 97 2.006 -19.222 4.692 1.00 0.17 H \nATOM 4993 HE2 TYR B 97 1.770 -16.776 4.492 1.00 0.17 H \nATOM 4994 HE1 TYR B 97 5.651 -16.524 2.700 1.00 0.17 H \nATOM 4995 HD1 TYR B 97 5.919 -18.959 2.945 1.00 0.17 H \nATOM 4996 HH TYR B 97 4.342 -14.777 3.094 1.00 0.40 H \nATOM 4997 H TYR B 97 5.968 -20.522 5.640 1.00 0.27 H \nATOM 4998 N HIS B 98 3.131 -23.640 5.529 1.00 -0.42 N \nATOM 4999 CA HIS B 98 3.152 -25.083 5.286 1.00 0.02 C \nATOM 5000 C HIS B 98 2.756 -25.514 3.869 1.00 0.60 C \nATOM 5001 O HIS B 98 2.984 -26.663 3.526 1.00 -0.57 O \nATOM 5002 CB HIS B 98 2.336 -25.851 6.349 1.00 -0.05 C \nATOM 5003 CG HIS B 98 0.856 -25.660 6.263 1.00 -0.03 C \nATOM 5004 ND1 HIS B 98 0.081 -26.258 5.292 1.00 -0.38 N \nATOM 5005 CD2 HIS B 98 -0.001 -24.979 7.066 1.00 0.13 C \nATOM 5006 CE1 HIS B 98 -1.194 -25.940 5.488 1.00 0.21 C \nATOM 5007 NE2 HIS B 98 -1.269 -25.154 6.557 1.00 -0.57 N \nATOM 5008 HA HIS B 98 4.200 -25.392 5.412 1.00 0.09 H \nATOM 5009 HB2 HIS B 98 2.550 -26.924 6.235 1.00 0.04 H \nATOM 5010 HB3 HIS B 98 2.667 -25.515 7.343 1.00 0.04 H \nATOM 5011 HD2 HIS B 98 0.265 -24.401 7.950 1.00 0.11 H \nATOM 5012 HE1 HIS B 98 -2.034 -26.267 4.877 1.00 0.14 H \nATOM 5013 HD1 HIS B 98 0.435 -26.858 4.533 1.00 0.36 H \nATOM 5014 H HIS B 98 2.336 -23.215 5.962 1.00 0.27 H \nATOM 5015 N ASP B 99 2.200 -24.599 3.052 1.00 -0.52 N \nATOM 5016 CA ASP B 99 1.642 -24.928 1.724 1.00 0.04 C \nATOM 5017 C ASP B 99 2.396 -24.262 0.592 1.00 0.54 C \nATOM 5018 O ASP B 99 1.934 -24.283 -0.521 1.00 -0.58 O \nATOM 5019 CB ASP B 99 0.128 -24.589 1.596 1.00 -0.03 C \nATOM 5020 CG ASP B 99 -0.223 -23.109 1.940 1.00 0.80 C \nATOM 5021 OD1 ASP B 99 0.653 -22.326 2.398 1.00 -0.80 O \nATOM 5022 OD2 ASP B 99 -1.416 -22.740 1.779 1.00 -0.80 O \nATOM 5023 HA ASP B 99 1.748 -26.016 1.597 1.00 0.09 H \nATOM 5024 HB2 ASP B 99 -0.184 -24.786 0.560 1.00 -0.01 H \nATOM 5025 HB3 ASP B 99 -0.432 -25.245 2.279 1.00 -0.01 H \nATOM 5026 H ASP B 99 2.163 -23.648 3.360 1.00 0.29 H \nATOM 5027 N ALA B 100 3.537 -23.649 0.884 1.00 -0.42 N \nATOM 5028 CA ALA B 100 4.348 -23.019 -0.138 1.00 0.03 C \nATOM 5029 C ALA B 100 5.318 -24.083 -0.646 1.00 0.60 C \nATOM 5030 O ALA B 100 5.967 -24.778 0.134 1.00 -0.57 O \nATOM 5031 CB ALA B 100 5.087 -21.826 0.424 1.00 -0.18 C \nATOM 5032 HA ALA B 100 3.706 -22.681 -0.965 1.00 0.08 H \nATOM 5033 HB1 ALA B 100 5.695 -21.365 -0.368 1.00 0.06 H \nATOM 5034 HB2 ALA B 100 4.362 -21.091 0.804 1.00 0.06 H \nATOM 5035 HB3 ALA B 100 5.742 -22.154 1.245 1.00 0.06 H \nATOM 5036 H ALA B 100 3.845 -23.621 1.835 1.00 0.27 H \nATOM 5037 N ASP B 101 5.363 -24.261 -1.952 1.00 -0.52 N \nATOM 5038 CA ASP B 101 6.251 -25.274 -2.562 1.00 0.04 C \nATOM 5039 C ASP B 101 6.841 -24.773 -3.875 1.00 0.54 C \nATOM 5040 O ASP B 101 6.183 -24.830 -4.906 1.00 -0.58 O \nATOM 5041 CB ASP B 101 5.489 -26.572 -2.801 1.00 -0.03 C \nATOM 5042 CG ASP B 101 6.394 -27.731 -3.294 1.00 0.80 C \nATOM 5043 OD1 ASP B 101 5.878 -28.846 -3.345 1.00 -0.80 O \nATOM 5044 OD2 ASP B 101 7.581 -27.568 -3.631 1.00 -0.80 O \nATOM 5045 HA ASP B 101 7.077 -25.475 -1.864 1.00 0.09 H \nATOM 5046 HB2 ASP B 101 5.014 -26.877 -1.857 1.00 -0.01 H \nATOM 5047 HB3 ASP B 101 4.714 -26.387 -3.559 1.00 -0.01 H \nATOM 5048 H ASP B 101 4.784 -23.699 -2.543 1.00 0.29 H \nATOM 5049 N VAL B 102 8.083 -24.307 -3.810 1.00 -0.42 N \nATOM 5050 CA VAL B 102 8.890 -23.974 -4.970 1.00 -0.09 C \nATOM 5051 C VAL B 102 10.196 -24.806 -4.947 1.00 0.60 C \nATOM 5052 O VAL B 102 11.264 -24.354 -5.361 1.00 -0.57 O \nATOM 5053 CB VAL B 102 9.191 -22.460 -5.002 1.00 0.30 C \nATOM 5054 CG1 VAL B 102 9.648 -22.067 -6.393 1.00 -0.32 C \nATOM 5055 CG2 VAL B 102 7.937 -21.653 -4.632 1.00 -0.32 C \nATOM 5056 HA VAL B 102 8.326 -24.234 -5.878 1.00 0.10 H \nATOM 5057 HB VAL B 102 9.990 -22.236 -4.279 1.00 -0.03 H \nATOM 5058 HG11 VAL B 102 8.859 -22.309 -7.120 1.00 0.08 H \nATOM 5059 HG12 VAL B 102 9.853 -20.987 -6.420 1.00 0.08 H \nATOM 5060 HG13 VAL B 102 10.564 -22.620 -6.648 1.00 0.08 H \nATOM 5061 HG21 VAL B 102 7.602 -21.938 -3.624 1.00 0.08 H \nATOM 5062 HG22 VAL B 102 8.174 -20.579 -4.650 1.00 0.08 H \nATOM 5063 HG23 VAL B 102 7.138 -21.865 -5.357 1.00 0.08 H \nATOM 5064 H VAL B 102 8.488 -24.177 -2.905 1.00 0.27 H \nATOM 5065 N THR B 103 10.078 -26.019 -4.432 1.00 -0.42 N \nATOM 5066 CA THR B 103 11.192 -26.988 -4.374 1.00 -0.04 C \nATOM 5067 C THR B 103 11.706 -27.451 -5.758 1.00 0.60 C \nATOM 5068 O THR B 103 12.829 -27.904 -5.871 1.00 -0.57 O \nATOM 5069 CB THR B 103 10.834 -28.230 -3.521 1.00 0.37 C \nATOM 5070 OG1 THR B 103 9.786 -28.979 -4.160 1.00 -0.68 O \nATOM 5071 CG2 THR B 103 10.395 -27.813 -2.118 1.00 -0.24 C \nATOM 5072 HA THR B 103 12.027 -26.474 -3.876 1.00 0.10 H \nATOM 5073 HB THR B 103 11.726 -28.868 -3.436 1.00 0.00 H \nATOM 5074 HG1 THR B 103 9.572 -29.739 -3.631 1.00 0.41 H \nATOM 5075 HG23 THR B 103 11.240 -27.920 -1.422 1.00 0.06 H \nATOM 5076 HG21 THR B 103 10.064 -26.764 -2.134 1.00 0.06 H \nATOM 5077 HG22 THR B 103 9.565 -28.455 -1.788 1.00 0.06 H \nATOM 5078 H THR B 103 9.190 -26.294 -4.063 1.00 0.27 H \nATOM 5079 N ALA B 104 10.912 -27.292 -6.809 1.00 -0.42 N \nATOM 5080 CA ALA B 104 11.386 -27.514 -8.195 1.00 0.03 C \nATOM 5081 C ALA B 104 12.600 -26.634 -8.582 1.00 0.60 C \nATOM 5082 O ALA B 104 13.382 -27.004 -9.474 1.00 -0.57 O \nATOM 5083 CB ALA B 104 10.256 -27.288 -9.163 1.00 -0.18 C \nATOM 5084 HA ALA B 104 11.701 -28.565 -8.273 1.00 0.08 H \nATOM 5085 HB1 ALA B 104 10.614 -27.454 -10.190 1.00 0.06 H \nATOM 5086 HB2 ALA B 104 9.438 -27.989 -8.942 1.00 0.06 H \nATOM 5087 HB3 ALA B 104 9.890 -26.255 -9.065 1.00 0.06 H \nATOM 5088 H ALA B 104 9.963 -27.013 -6.661 1.00 0.27 H \nATOM 5089 N PHE B 105 12.762 -25.485 -7.907 1.00 -0.42 N \nATOM 5090 CA PHE B 105 13.936 -24.649 -8.102 1.00 -0.00 C \nATOM 5091 C PHE B 105 14.882 -24.623 -6.895 1.00 0.60 C \nATOM 5092 O PHE B 105 15.747 -23.757 -6.815 1.00 -0.57 O \nATOM 5093 CB PHE B 105 13.552 -23.209 -8.466 1.00 -0.03 C \nATOM 5094 CG PHE B 105 12.768 -23.072 -9.735 1.00 0.01 C \nATOM 5095 CD1 PHE B 105 11.417 -22.728 -9.703 1.00 -0.13 C \nATOM 5096 CD2 PHE B 105 13.376 -23.237 -10.952 1.00 -0.13 C \nATOM 5097 CE1 PHE B 105 10.679 -22.607 -10.871 1.00 -0.17 C \nATOM 5098 CE2 PHE B 105 12.659 -23.078 -12.129 1.00 -0.17 C \nATOM 5099 CZ PHE B 105 11.298 -22.770 -12.084 1.00 -0.11 C \nATOM 5100 HA PHE B 105 14.494 -25.074 -8.949 1.00 0.10 H \nATOM 5101 HB2 PHE B 105 12.948 -22.797 -7.644 1.00 0.03 H \nATOM 5102 HB3 PHE B 105 14.477 -22.623 -8.570 1.00 0.03 H \nATOM 5103 HD2 PHE B 105 14.428 -23.494 -10.995 1.00 0.13 H \nATOM 5104 HE2 PHE B 105 13.156 -23.193 -13.085 1.00 0.14 H \nATOM 5105 HZ PHE B 105 10.734 -22.660 -13.003 1.00 0.13 H \nATOM 5106 HE1 PHE B 105 9.619 -22.385 -10.825 1.00 0.14 H \nATOM 5107 HD1 PHE B 105 10.935 -22.552 -8.748 1.00 0.13 H \nATOM 5108 H PHE B 105 12.060 -25.198 -7.256 1.00 0.27 H \nATOM 5109 N GLY B 106 14.734 -25.567 -5.962 1.00 -0.42 N \nATOM 5110 CA GLY B 106 15.691 -25.745 -4.885 1.00 -0.03 C \nATOM 5111 C GLY B 106 15.518 -24.798 -3.708 1.00 0.60 C \nATOM 5112 O GLY B 106 16.437 -24.616 -2.953 1.00 -0.57 O \nATOM 5113 HA3 GLY B 106 15.596 -26.775 -4.511 1.00 0.07 H \nATOM 5114 HA2 GLY B 106 16.700 -25.596 -5.297 1.00 0.07 H \nATOM 5115 H GLY B 106 13.938 -26.171 -6.007 1.00 0.27 H \nATOM 5116 N TYR B 107 14.345 -24.172 -3.578 1.00 -0.42 N \nATOM 5117 CA TYR B 107 14.019 -23.423 -2.391 1.00 -0.00 C \nATOM 5118 C TYR B 107 13.603 -24.504 -1.368 1.00 0.60 C \nATOM 5119 O TYR B 107 13.159 -25.600 -1.734 1.00 -0.57 O \nATOM 5120 CB TYR B 107 12.882 -22.399 -2.641 1.00 -0.02 C \nATOM 5121 CG TYR B 107 13.283 -21.320 -3.608 1.00 -0.00 C \nATOM 5122 CD1 TYR B 107 13.908 -20.167 -3.168 1.00 -0.19 C \nATOM 5123 CD2 TYR B 107 13.138 -21.506 -4.960 1.00 -0.19 C \nATOM 5124 CE1 TYR B 107 14.328 -19.204 -4.064 1.00 -0.23 C \nATOM 5125 CE2 TYR B 107 13.534 -20.545 -5.858 1.00 -0.23 C \nATOM 5126 CZ TYR B 107 14.148 -19.408 -5.398 1.00 0.32 C \nATOM 5127 OH TYR B 107 14.548 -18.478 -6.301 1.00 -0.56 O \nATOM 5128 HA TYR B 107 14.906 -22.881 -2.030 1.00 0.09 H \nATOM 5129 HB3 TYR B 107 12.010 -22.932 -3.048 1.00 0.03 H \nATOM 5130 HB2 TYR B 107 12.611 -21.931 -1.683 1.00 0.03 H \nATOM 5131 HD2 TYR B 107 12.703 -22.429 -5.326 1.00 0.17 H \nATOM 5132 HE2 TYR B 107 13.363 -20.684 -6.919 1.00 0.17 H \nATOM 5133 HE1 TYR B 107 14.797 -18.294 -3.708 1.00 0.17 H \nATOM 5134 HD1 TYR B 107 14.070 -20.018 -2.107 1.00 0.17 H \nATOM 5135 HH TYR B 107 14.955 -17.750 -5.846 1.00 0.40 H \nATOM 5136 H TYR B 107 13.678 -24.224 -4.321 1.00 0.27 H \nATOM 5137 N GLU B 108 13.745 -24.172 -0.108 1.00 -0.52 N \nATOM 5138 CA GLU B 108 13.428 -25.078 0.987 1.00 0.04 C \nATOM 5139 C GLU B 108 11.918 -25.256 1.000 1.00 0.54 C \nATOM 5140 O GLU B 108 11.217 -24.353 0.551 1.00 -0.58 O \nATOM 5141 CB GLU B 108 13.976 -24.456 2.278 1.00 0.06 C \nATOM 5142 CG GLU B 108 13.641 -25.220 3.512 1.00 0.01 C \nATOM 5143 CD GLU B 108 14.313 -24.720 4.772 1.00 0.81 C \nATOM 5144 OE1 GLU B 108 13.830 -25.192 5.829 1.00 -0.82 O \nATOM 5145 OE2 GLU B 108 15.313 -23.925 4.754 1.00 -0.82 O \nATOM 5146 HA GLU B 108 13.906 -26.055 0.826 1.00 0.11 H \nATOM 5147 HB2 GLU B 108 15.071 -24.397 2.195 1.00 -0.02 H \nATOM 5148 HB3 GLU B 108 13.561 -23.442 2.376 1.00 -0.02 H \nATOM 5149 HG2 GLU B 108 12.552 -25.168 3.661 1.00 -0.04 H \nATOM 5150 HG3 GLU B 108 13.940 -26.267 3.358 1.00 -0.04 H \nATOM 5151 H GLU B 108 14.086 -23.258 0.111 1.00 0.29 H \nATOM 5152 N TYR B 109 11.410 -26.412 1.441 1.00 -0.42 N \nATOM 5153 CA TYR B 109 9.946 -26.647 1.480 1.00 -0.00 C \nATOM 5154 C TYR B 109 9.329 -25.555 2.385 1.00 0.60 C \nATOM 5155 O TYR B 109 9.848 -25.269 3.465 1.00 -0.57 O \nATOM 5156 CB TYR B 109 9.535 -28.087 1.938 1.00 -0.02 C \nATOM 5157 CG TYR B 109 8.034 -28.224 1.763 1.00 -0.00 C \nATOM 5158 CD1 TYR B 109 7.180 -27.681 2.698 1.00 -0.19 C \nATOM 5159 CD2 TYR B 109 7.478 -28.728 0.590 1.00 -0.19 C \nATOM 5160 CE1 TYR B 109 5.807 -27.674 2.504 1.00 -0.23 C \nATOM 5161 CE2 TYR B 109 6.104 -28.765 0.393 1.00 -0.23 C \nATOM 5162 CZ TYR B 109 5.280 -28.214 1.346 1.00 0.32 C \nATOM 5163 OH TYR B 109 3.926 -28.180 1.220 1.00 -0.56 O \nATOM 5164 HA TYR B 109 9.556 -26.512 0.460 1.00 0.09 H \nATOM 5165 HB3 TYR B 109 10.053 -28.837 1.322 1.00 0.03 H \nATOM 5166 HB2 TYR B 109 9.802 -28.233 2.995 1.00 0.03 H \nATOM 5167 HD2 TYR B 109 8.134 -29.101 -0.188 1.00 0.17 H \nATOM 5168 HE2 TYR B 109 5.688 -29.221 -0.498 1.00 0.17 H \nATOM 5169 HE1 TYR B 109 5.152 -27.248 3.255 1.00 0.17 H \nATOM 5170 HD1 TYR B 109 7.590 -27.250 3.604 1.00 0.17 H \nATOM 5171 HH TYR B 109 3.548 -27.759 1.983 1.00 0.40 H \nATOM 5172 H TYR B 109 12.030 -27.133 1.751 1.00 0.27 H \nATOM 5173 N GLY B 110 8.287 -24.884 1.904 1.00 -0.42 N \nATOM 5174 CA GLY B 110 7.651 -23.806 2.661 1.00 -0.03 C \nATOM 5175 C GLY B 110 8.171 -22.390 2.433 1.00 0.60 C \nATOM 5176 O GLY B 110 7.588 -21.394 2.946 1.00 -0.57 O \nATOM 5177 HA3 GLY B 110 6.581 -23.810 2.406 1.00 0.07 H \nATOM 5178 HA2 GLY B 110 7.774 -24.035 3.730 1.00 0.07 H \nATOM 5179 H GLY B 110 7.929 -25.122 1.001 1.00 0.27 H \nATOM 5180 N GLN B 111 9.252 -22.273 1.665 1.00 -0.42 N \nATOM 5181 CA GLN B 111 9.916 -21.006 1.499 1.00 -0.00 C \nATOM 5182 C GLN B 111 9.446 -20.417 0.194 1.00 0.60 C \nATOM 5183 O GLN B 111 9.455 -21.103 -0.805 1.00 -0.57 O \nATOM 5184 CB GLN B 111 11.426 -21.208 1.455 1.00 -0.00 C \nATOM 5185 CG GLN B 111 12.240 -19.953 1.160 1.00 -0.06 C \nATOM 5186 CD GLN B 111 13.718 -20.224 1.007 1.00 0.70 C \nATOM 5187 OE1 GLN B 111 14.135 -21.335 0.742 1.00 -0.61 O \nATOM 5188 NE2 GLN B 111 14.515 -19.199 1.194 1.00 -0.94 N \nATOM 5189 HA GLN B 111 9.658 -20.334 2.331 1.00 0.09 H \nATOM 5190 HB2 GLN B 111 11.746 -21.599 2.432 1.00 0.02 H \nATOM 5191 HB3 GLN B 111 11.648 -21.949 0.673 1.00 0.02 H \nATOM 5192 HG2 GLN B 111 11.868 -19.507 0.226 1.00 0.04 H \nATOM 5193 HG3 GLN B 111 12.099 -19.242 1.988 1.00 0.04 H \nATOM 5194 HE22 GLN B 111 15.505 -19.313 1.107 1.00 0.43 H \nATOM 5195 HE21 GLN B 111 14.133 -18.304 1.423 1.00 0.43 H \nATOM 5196 H GLN B 111 9.610 -23.080 1.195 1.00 0.27 H \nATOM 5197 N LEU B 112 9.080 -19.145 0.196 1.00 -0.42 N \nATOM 5198 CA LEU B 112 8.878 -18.407 -1.067 1.00 -0.05 C \nATOM 5199 C LEU B 112 10.142 -17.608 -1.494 1.00 0.60 C \nATOM 5200 O LEU B 112 10.829 -17.030 -0.661 1.00 -0.57 O \nATOM 5201 CB LEU B 112 7.640 -17.513 -0.935 1.00 -0.11 C \nATOM 5202 CG LEU B 112 6.343 -18.349 -0.927 1.00 0.35 C \nATOM 5203 CD1 LEU B 112 5.132 -17.521 -0.629 1.00 -0.41 C \nATOM 5204 CD2 LEU B 112 6.102 -19.040 -2.250 1.00 -0.41 C \nATOM 5205 HA LEU B 112 8.677 -19.144 -1.858 1.00 0.09 H \nATOM 5206 HB2 LEU B 112 7.706 -16.946 0.005 1.00 0.05 H \nATOM 5207 HB3 LEU B 112 7.611 -16.814 -1.784 1.00 0.05 H \nATOM 5208 HG LEU B 112 6.445 -19.115 -0.144 1.00 -0.04 H \nATOM 5209 HD21 LEU B 112 6.947 -19.707 -2.475 1.00 0.10 H \nATOM 5210 HD22 LEU B 112 5.175 -19.629 -2.192 1.00 0.10 H \nATOM 5211 HD23 LEU B 112 6.008 -18.286 -3.046 1.00 0.10 H \nATOM 5212 HD11 LEU B 112 5.032 -16.731 -1.388 1.00 0.10 H \nATOM 5213 HD12 LEU B 112 4.237 -18.161 -0.645 1.00 0.10 H \nATOM 5214 HD13 LEU B 112 5.237 -17.063 0.365 1.00 0.10 H \nATOM 5215 H LEU B 112 8.938 -18.676 1.068 1.00 0.27 H \nATOM 5216 N PRO B 113 10.470 -17.618 -2.788 1.00 -0.25 N \nATOM 5217 CA PRO B 113 11.592 -16.816 -3.276 1.00 -0.03 C \nATOM 5218 C PRO B 113 11.432 -15.364 -2.893 1.00 0.59 C \nATOM 5219 O PRO B 113 10.325 -14.815 -3.008 1.00 -0.57 O \nATOM 5220 CB PRO B 113 11.545 -16.985 -4.797 1.00 -0.01 C \nATOM 5221 CG PRO B 113 10.705 -18.204 -5.004 1.00 0.02 C \nATOM 5222 CD PRO B 113 9.721 -18.236 -3.889 1.00 0.02 C \nATOM 5223 HA PRO B 113 12.542 -17.196 -2.873 1.00 0.06 H \nATOM 5224 HD3 PRO B 113 9.432 -19.268 -3.643 1.00 0.04 H \nATOM 5225 HD2 PRO B 113 8.822 -17.652 -4.135 1.00 0.04 H \nATOM 5226 HG3 PRO B 113 11.334 -19.106 -4.982 1.00 0.02 H \nATOM 5227 HG2 PRO B 113 10.182 -18.145 -5.970 1.00 0.02 H \nATOM 5228 HB2 PRO B 113 11.083 -16.107 -5.273 1.00 0.03 H \nATOM 5229 HB3 PRO B 113 12.556 -17.134 -5.205 1.00 0.03 H \nATOM 5230 N GLY B 114 12.541 -14.784 -2.424 1.00 -0.42 N \nATOM 5231 CA GLY B 114 12.598 -13.431 -1.902 1.00 -0.03 C \nATOM 5232 C GLY B 114 12.335 -13.372 -0.414 1.00 0.60 C \nATOM 5233 O GLY B 114 12.395 -12.304 0.165 1.00 -0.57 O \nATOM 5234 HA3 GLY B 114 13.598 -13.019 -2.100 1.00 0.07 H \nATOM 5235 HA2 GLY B 114 11.841 -12.822 -2.418 1.00 0.07 H \nATOM 5236 H GLY B 114 13.387 -15.317 -2.433 1.00 0.27 H \nATOM 5237 N CYS B 115 12.063 -14.529 0.207 1.00 -0.42 N \nATOM 5238 CA CYS B 115 11.806 -14.643 1.628 1.00 0.02 C \nATOM 5239 C CYS B 115 12.755 -15.596 2.320 1.00 0.60 C \nATOM 5240 O CYS B 115 13.220 -16.574 1.734 1.00 -0.57 O \nATOM 5241 CB CYS B 115 10.396 -15.163 1.886 1.00 -0.12 C \nATOM 5242 SG CYS B 115 9.096 -13.981 1.441 1.00 -0.31 S \nATOM 5243 HA CYS B 115 11.913 -13.644 2.076 1.00 0.11 H \nATOM 5244 HB2 CYS B 115 10.250 -16.080 1.296 1.00 0.11 H \nATOM 5245 HB3 CYS B 115 10.302 -15.397 2.957 1.00 0.11 H \nATOM 5246 HG CYS B 115 8.193 -14.385 1.635 1.00 0.19 H \nATOM 5247 H CYS B 115 12.036 -15.363 -0.344 1.00 0.27 H \nATOM 5248 N PRO B 116 13.024 -15.324 3.577 1.00 -0.25 N \nATOM 5249 CA PRO B 116 13.659 -16.377 4.385 1.00 -0.03 C \nATOM 5250 C PRO B 116 12.764 -17.605 4.514 1.00 0.59 C \nATOM 5251 O PRO B 116 11.584 -17.503 4.335 1.00 -0.57 O \nATOM 5252 CB PRO B 116 13.845 -15.690 5.748 1.00 -0.01 C \nATOM 5253 CG PRO B 116 12.704 -14.709 5.821 1.00 0.02 C \nATOM 5254 CD PRO B 116 12.562 -14.186 4.413 1.00 0.02 C \nATOM 5255 HA PRO B 116 14.627 -16.674 3.955 1.00 0.06 H \nATOM 5256 HD3 PRO B 116 13.194 -13.300 4.256 1.00 0.04 H \nATOM 5257 HD2 PRO B 116 11.515 -13.933 4.190 1.00 0.04 H \nATOM 5258 HG3 PRO B 116 12.939 -13.891 6.517 1.00 0.02 H \nATOM 5259 HG2 PRO B 116 11.780 -15.211 6.144 1.00 0.02 H \nATOM 5260 HB2 PRO B 116 13.784 -16.422 6.566 1.00 0.03 H \nATOM 5261 HB3 PRO B 116 14.812 -15.168 5.794 1.00 0.03 H \nATOM 5262 N ALA B 117 13.330 -18.751 4.860 1.00 -0.42 N \nATOM 5263 CA ALA B 117 12.552 -19.989 4.966 1.00 0.03 C \nATOM 5264 C ALA B 117 11.462 -19.922 6.057 1.00 0.60 C \nATOM 5265 O ALA B 117 10.388 -20.518 5.933 1.00 -0.57 O \nATOM 5266 CB ALA B 117 13.480 -21.170 5.189 1.00 -0.18 C \nATOM 5267 HA ALA B 117 12.041 -20.141 4.004 1.00 0.08 H \nATOM 5268 HB1 ALA B 117 12.887 -22.093 5.267 1.00 0.06 H \nATOM 5269 HB2 ALA B 117 14.178 -21.253 4.343 1.00 0.06 H \nATOM 5270 HB3 ALA B 117 14.048 -21.019 6.119 1.00 0.06 H \nATOM 5271 H ALA B 117 14.311 -18.772 5.053 1.00 0.27 H \nATOM 5272 N GLY B 118 11.743 -19.186 7.116 1.00 -0.42 N \nATOM 5273 CA GLY B 118 10.761 -18.863 8.128 1.00 -0.03 C \nATOM 5274 C GLY B 118 11.094 -17.499 8.719 1.00 0.60 C \nATOM 5275 O GLY B 118 12.177 -16.958 8.504 1.00 -0.57 O \nATOM 5276 HA3 GLY B 118 9.759 -18.835 7.675 1.00 0.07 H \nATOM 5277 HA2 GLY B 118 10.783 -19.625 8.921 1.00 0.07 H \nATOM 5278 H GLY B 118 12.674 -18.837 7.223 1.00 0.27 H \nATOM 5279 N PHE B 119 10.126 -16.929 9.427 1.00 -0.42 N \nATOM 5280 CA PHE B 119 10.247 -15.595 9.968 1.00 -0.00 C \nATOM 5281 C PHE B 119 10.346 -15.720 11.478 1.00 0.60 C \nATOM 5282 O PHE B 119 9.447 -16.277 12.106 1.00 -0.57 O \nATOM 5283 CB PHE B 119 9.007 -14.767 9.622 1.00 -0.03 C \nATOM 5284 CG PHE B 119 8.765 -14.613 8.145 1.00 0.01 C \nATOM 5285 CD1 PHE B 119 9.402 -13.626 7.415 1.00 -0.13 C \nATOM 5286 CD2 PHE B 119 7.903 -15.465 7.475 1.00 -0.13 C \nATOM 5287 CE1 PHE B 119 9.192 -13.488 6.046 1.00 -0.17 C \nATOM 5288 CE2 PHE B 119 7.683 -15.327 6.111 1.00 -0.17 C \nATOM 5289 CZ PHE B 119 8.316 -14.337 5.393 1.00 -0.11 C \nATOM 5290 HA PHE B 119 11.146 -15.105 9.565 1.00 0.10 H \nATOM 5291 HB2 PHE B 119 8.129 -15.257 10.067 1.00 0.03 H \nATOM 5292 HB3 PHE B 119 9.128 -13.765 10.059 1.00 0.03 H \nATOM 5293 HD2 PHE B 119 7.393 -16.250 8.022 1.00 0.13 H \nATOM 5294 HE2 PHE B 119 7.006 -16.006 5.606 1.00 0.14 H \nATOM 5295 HZ PHE B 119 8.131 -14.224 4.331 1.00 0.13 H \nATOM 5296 HE1 PHE B 119 9.714 -12.716 5.492 1.00 0.14 H \nATOM 5297 HD1 PHE B 119 10.079 -12.946 7.919 1.00 0.13 H \nATOM 5298 H PHE B 119 9.283 -17.441 9.592 1.00 0.27 H \nATOM 5299 N LYS B 120 11.419 -15.184 12.048 1.00 -0.35 N \nATOM 5300 CA LYS B 120 11.652 -15.245 13.467 1.00 -0.24 C \nATOM 5301 C LYS B 120 10.851 -14.131 14.147 1.00 0.73 C \nATOM 5302 O LYS B 120 10.859 -13.027 13.694 1.00 -0.59 O \nATOM 5303 CB LYS B 120 13.166 -15.130 13.783 1.00 -0.01 C \nATOM 5304 CG LYS B 120 13.997 -16.249 13.188 1.00 0.02 C \nATOM 5305 CD LYS B 120 13.891 -17.514 14.052 1.00 -0.05 C \nATOM 5306 CE LYS B 120 14.098 -18.815 13.285 1.00 -0.01 C \nATOM 5307 NZ LYS B 120 15.516 -19.262 13.201 1.00 -0.39 N \nATOM 5308 HA LYS B 120 11.294 -16.215 13.843 1.00 0.14 H \nATOM 5309 HB2 LYS B 120 13.533 -14.174 13.383 1.00 0.04 H \nATOM 5310 HB3 LYS B 120 13.295 -15.144 14.875 1.00 0.04 H \nATOM 5311 HG2 LYS B 120 13.633 -16.471 12.174 1.00 0.01 H \nATOM 5312 HG3 LYS B 120 15.049 -15.932 13.138 1.00 0.01 H \nATOM 5313 HD2 LYS B 120 14.652 -17.456 14.844 1.00 0.06 H \nATOM 5314 HD3 LYS B 120 12.890 -17.538 14.507 1.00 0.06 H \nATOM 5315 HE2 LYS B 120 13.518 -19.605 13.784 1.00 0.11 H \nATOM 5316 HE3 LYS B 120 13.721 -18.674 12.261 1.00 0.11 H \nATOM 5317 HZ1 LYS B 120 15.881 -19.399 14.131 1.00 0.34 H \nATOM 5318 HZ2 LYS B 120 15.565 -20.129 12.689 1.00 0.34 H \nATOM 5319 HZ3 LYS B 120 16.062 -18.560 12.726 1.00 0.34 H \nATOM 5320 H LYS B 120 12.090 -14.721 11.470 1.00 0.27 H \nATOM 5321 N ALA B 121 10.145 -14.449 15.228 1.00 -0.42 N \nATOM 5322 CA ALA B 121 9.368 -13.459 15.961 1.00 0.03 C \nATOM 5323 C ALA B 121 10.297 -12.642 16.846 1.00 0.60 C \nATOM 5324 O ALA B 121 11.415 -13.052 17.110 1.00 -0.57 O \nATOM 5325 CB ALA B 121 8.284 -14.144 16.806 1.00 -0.18 C \nATOM 5326 HA ALA B 121 8.880 -12.786 15.241 1.00 0.08 H \nATOM 5327 HB1 ALA B 121 7.708 -13.382 17.352 1.00 0.06 H \nATOM 5328 HB2 ALA B 121 7.610 -14.711 16.148 1.00 0.06 H \nATOM 5329 HB3 ALA B 121 8.758 -14.830 17.524 1.00 0.06 H \nATOM 5330 H ALA B 121 10.148 -15.397 15.547 1.00 0.27 H \nATOM 5331 N ASP B 122 9.837 -11.482 17.315 1.00 -0.52 N \nATOM 5332 CA ASP B 122 10.723 -10.591 18.055 1.00 0.04 C \nATOM 5333 C ASP B 122 11.042 -11.208 19.433 1.00 0.54 C \nATOM 5334 O ASP B 122 10.140 -11.649 20.118 1.00 -0.58 O \nATOM 5335 CB ASP B 122 10.060 -9.226 18.230 1.00 -0.03 C \nATOM 5336 CG ASP B 122 10.989 -8.210 18.871 1.00 0.80 C \nATOM 5337 OD1 ASP B 122 10.943 -8.045 20.112 1.00 -0.80 O \nATOM 5338 OD2 ASP B 122 11.776 -7.599 18.126 1.00 -0.80 O \nATOM 5339 HA ASP B 122 11.660 -10.465 17.492 1.00 0.09 H \nATOM 5340 HB2 ASP B 122 9.755 -8.852 17.242 1.00 -0.01 H \nATOM 5341 HB3 ASP B 122 9.171 -9.344 18.868 1.00 -0.01 H \nATOM 5342 H ASP B 122 8.884 -11.223 17.159 1.00 0.29 H \nATOM 5343 N ASP B 123 12.317 -11.217 19.823 1.00 -0.52 N \nATOM 5344 CA ASP B 123 12.729 -11.789 21.108 1.00 0.04 C \nATOM 5345 C ASP B 123 12.137 -11.092 22.334 1.00 0.54 C \nATOM 5346 O ASP B 123 11.809 -11.756 23.308 1.00 -0.58 O \nATOM 5347 CB ASP B 123 14.263 -11.816 21.225 1.00 -0.03 C \nATOM 5348 CG ASP B 123 14.899 -12.872 20.303 1.00 0.80 C \nATOM 5349 OD1 ASP B 123 14.147 -13.710 19.732 1.00 -0.80 O \nATOM 5350 OD2 ASP B 123 16.138 -12.867 20.150 1.00 -0.80 O \nATOM 5351 HA ASP B 123 12.371 -12.829 21.123 1.00 0.09 H \nATOM 5352 HB2 ASP B 123 14.656 -10.825 20.953 1.00 -0.01 H \nATOM 5353 HB3 ASP B 123 14.535 -12.045 22.266 1.00 -0.01 H \nATOM 5354 H ASP B 123 13.012 -10.822 19.222 1.00 0.29 H \nATOM 5355 N LYS B 124 12.027 -9.773 22.273 1.00 -0.35 N \nATOM 5356 CA LYS B 124 11.487 -8.979 23.381 1.00 -0.24 C \nATOM 5357 C LYS B 124 9.975 -9.224 23.577 1.00 0.73 C \nATOM 5358 O LYS B 124 9.510 -9.347 24.698 1.00 -0.59 O \nATOM 5359 CB LYS B 124 11.773 -7.499 23.160 1.00 -0.01 C \nATOM 5360 CG LYS B 124 13.263 -7.144 23.250 1.00 0.02 C \nATOM 5361 CD LYS B 124 13.509 -5.676 22.963 1.00 -0.05 C \nATOM 5362 CE LYS B 124 14.903 -5.408 22.405 1.00 -0.01 C \nATOM 5363 NZ LYS B 124 14.935 -4.156 21.575 1.00 -0.39 N \nATOM 5364 HA LYS B 124 12.000 -9.292 24.302 1.00 0.14 H \nATOM 5365 HB2 LYS B 124 11.408 -7.219 22.161 1.00 0.04 H \nATOM 5366 HB3 LYS B 124 11.231 -6.922 23.923 1.00 0.04 H \nATOM 5367 HG2 LYS B 124 13.624 -7.374 24.263 1.00 0.01 H \nATOM 5368 HG3 LYS B 124 13.818 -7.748 22.517 1.00 0.01 H \nATOM 5369 HD2 LYS B 124 12.765 -5.332 22.230 1.00 0.06 H \nATOM 5370 HD3 LYS B 124 13.390 -5.110 23.899 1.00 0.06 H \nATOM 5371 HE2 LYS B 124 15.608 -5.299 23.242 1.00 0.11 H \nATOM 5372 HE3 LYS B 124 15.207 -6.260 21.778 1.00 0.11 H \nATOM 5373 HZ1 LYS B 124 14.654 -3.371 22.141 1.00 0.34 H \nATOM 5374 HZ2 LYS B 124 15.870 -4.005 21.231 1.00 0.34 H \nATOM 5375 HZ3 LYS B 124 14.302 -4.253 20.796 1.00 0.34 H \nATOM 5376 H LYS B 124 12.323 -9.302 21.442 1.00 0.27 H \nATOM 5377 N LEU B 125 9.231 -9.315 22.473 1.00 -0.42 N \nATOM 5378 CA LEU B 125 7.806 -9.676 22.551 1.00 -0.05 C \nATOM 5379 C LEU B 125 7.617 -11.105 23.059 1.00 0.60 C \nATOM 5380 O LEU B 125 6.716 -11.343 23.819 1.00 -0.57 O \nATOM 5381 CB LEU B 125 7.096 -9.509 21.217 1.00 -0.11 C \nATOM 5382 CG LEU B 125 7.250 -8.165 20.519 1.00 0.35 C \nATOM 5383 CD1 LEU B 125 6.505 -8.222 19.194 1.00 -0.41 C \nATOM 5384 CD2 LEU B 125 6.722 -7.043 21.407 1.00 -0.41 C \nATOM 5385 HA LEU B 125 7.332 -8.994 23.272 1.00 0.09 H \nATOM 5386 HB2 LEU B 125 7.481 -10.283 20.537 1.00 0.05 H \nATOM 5387 HB3 LEU B 125 6.022 -9.673 21.389 1.00 0.05 H \nATOM 5388 HG LEU B 125 8.316 -7.982 20.321 1.00 -0.04 H \nATOM 5389 HD21 LEU B 125 7.281 -7.031 22.354 1.00 0.10 H \nATOM 5390 HD22 LEU B 125 6.849 -6.078 20.894 1.00 0.10 H \nATOM 5391 HD23 LEU B 125 5.655 -7.210 21.613 1.00 0.10 H \nATOM 5392 HD11 LEU B 125 5.443 -8.439 19.380 1.00 0.10 H \nATOM 5393 HD12 LEU B 125 6.597 -7.254 18.680 1.00 0.10 H \nATOM 5394 HD13 LEU B 125 6.937 -9.014 18.565 1.00 0.10 H \nATOM 5395 H LEU B 125 9.647 -9.136 21.581 1.00 0.27 H \nATOM 5396 N ILE B 126 8.449 -12.052 22.634 1.00 -0.42 N \nATOM 5397 CA ILE B 126 8.336 -13.428 23.140 1.00 -0.06 C \nATOM 5398 C ILE B 126 8.597 -13.453 24.647 1.00 0.60 C \nATOM 5399 O ILE B 126 7.906 -14.144 25.400 1.00 -0.57 O \nATOM 5400 CB ILE B 126 9.332 -14.375 22.447 1.00 0.13 C \nATOM 5401 CG1 ILE B 126 8.932 -14.626 21.002 1.00 -0.04 C \nATOM 5402 CG2 ILE B 126 9.439 -15.699 23.187 1.00 -0.32 C \nATOM 5403 CD1 ILE B 126 10.088 -15.094 20.153 1.00 -0.07 C \nATOM 5404 HA ILE B 126 7.315 -13.788 22.946 1.00 0.09 H \nATOM 5405 HB ILE B 126 10.321 -13.894 22.454 1.00 0.02 H \nATOM 5406 HG12 ILE B 126 8.146 -15.396 20.982 1.00 0.02 H \nATOM 5407 HG13 ILE B 126 8.539 -13.690 20.577 1.00 0.02 H \nATOM 5408 HD11 ILE B 126 10.492 -16.029 20.567 1.00 0.02 H \nATOM 5409 HD12 ILE B 126 9.740 -15.269 19.124 1.00 0.02 H \nATOM 5410 HD13 ILE B 126 10.874 -14.325 20.148 1.00 0.02 H \nATOM 5411 HG21 ILE B 126 8.451 -16.181 23.222 1.00 0.09 H \nATOM 5412 HG22 ILE B 126 10.149 -16.356 22.663 1.00 0.09 H \nATOM 5413 HG23 ILE B 126 9.795 -15.518 24.212 1.00 0.09 H \nATOM 5414 H ILE B 126 9.157 -11.826 21.965 1.00 0.27 H \nATOM 5415 N ALA B 127 9.636 -12.748 25.074 1.00 -0.42 N \nATOM 5416 CA ALA B 127 9.990 -12.709 26.495 1.00 0.03 C \nATOM 5417 C ALA B 127 8.851 -12.096 27.310 1.00 0.60 C \nATOM 5418 O ALA B 127 8.486 -12.605 28.387 1.00 -0.57 O \nATOM 5419 CB ALA B 127 11.258 -11.917 26.687 1.00 -0.18 C \nATOM 5420 HA ALA B 127 10.159 -13.738 26.846 1.00 0.08 H \nATOM 5421 HB1 ALA B 127 11.517 -11.893 27.756 1.00 0.06 H \nATOM 5422 HB2 ALA B 127 12.075 -12.390 26.123 1.00 0.06 H \nATOM 5423 HB3 ALA B 127 11.108 -10.890 26.322 1.00 0.06 H \nATOM 5424 H ALA B 127 10.187 -12.235 24.415 1.00 0.27 H \nATOM 5425 N ALA B 128 8.263 -11.034 26.773 1.00 -0.42 N \nATOM 5426 CA ALA B 128 7.130 -10.377 27.435 1.00 0.03 C \nATOM 5427 C ALA B 128 5.919 -11.303 27.561 1.00 0.60 C \nATOM 5428 O ALA B 128 5.257 -11.345 28.608 1.00 -0.57 O \nATOM 5429 CB ALA B 128 6.758 -9.115 26.687 1.00 -0.18 C \nATOM 5430 HA ALA B 128 7.446 -10.096 28.450 1.00 0.08 H \nATOM 5431 HB1 ALA B 128 5.909 -8.628 27.189 1.00 0.06 H \nATOM 5432 HB2 ALA B 128 7.618 -8.429 26.674 1.00 0.06 H \nATOM 5433 HB3 ALA B 128 6.477 -9.370 25.655 1.00 0.06 H \nATOM 5434 H ALA B 128 8.598 -10.675 25.902 1.00 0.27 H \nATOM 5435 N ALA B 129 5.631 -12.061 26.504 1.00 -0.42 N \nATOM 5436 CA ALA B 129 4.496 -12.981 26.531 1.00 0.03 C \nATOM 5437 C ALA B 129 4.706 -14.109 27.540 1.00 0.60 C \nATOM 5438 O ALA B 129 3.787 -14.490 28.257 1.00 -0.57 O \nATOM 5439 CB ALA B 129 4.256 -13.560 25.148 1.00 -0.18 C \nATOM 5440 HA ALA B 129 3.603 -12.414 26.831 1.00 0.08 H \nATOM 5441 HB1 ALA B 129 3.400 -14.250 25.183 1.00 0.06 H \nATOM 5442 HB2 ALA B 129 4.041 -12.745 24.441 1.00 0.06 H \nATOM 5443 HB3 ALA B 129 5.153 -14.105 24.818 1.00 0.06 H \nATOM 5444 H ALA B 129 6.198 -12.000 25.683 1.00 0.27 H \nATOM 5445 N GLU B 130 5.915 -14.647 27.591 1.00 -0.52 N \nATOM 5446 CA GLU B 130 6.216 -15.733 28.535 1.00 0.04 C \nATOM 5447 C GLU B 130 6.117 -15.260 29.987 1.00 0.54 C \nATOM 5448 O GLU B 130 5.746 -16.024 30.851 1.00 -0.58 O \nATOM 5449 CB GLU B 130 7.598 -16.335 28.257 1.00 0.06 C \nATOM 5450 CG GLU B 130 7.642 -17.096 26.932 1.00 0.01 C \nATOM 5451 CD GLU B 130 8.966 -17.804 26.680 1.00 0.81 C \nATOM 5452 OE1 GLU B 130 10.013 -17.398 27.242 1.00 -0.82 O \nATOM 5453 OE2 GLU B 130 8.964 -18.787 25.911 1.00 -0.82 O \nATOM 5454 HA GLU B 130 5.466 -16.524 28.387 1.00 0.11 H \nATOM 5455 HB2 GLU B 130 8.338 -15.522 28.223 1.00 -0.02 H \nATOM 5456 HB3 GLU B 130 7.853 -17.028 29.072 1.00 -0.02 H \nATOM 5457 HG2 GLU B 130 6.840 -17.849 26.937 1.00 -0.04 H \nATOM 5458 HG3 GLU B 130 7.469 -16.381 26.114 1.00 -0.04 H \nATOM 5459 H GLU B 130 6.632 -14.311 26.980 1.00 0.29 H \nATOM 5460 N SER B 131 6.480 -14.018 30.245 1.00 -0.42 N \nATOM 5461 CA SER B 131 6.281 -13.430 31.561 1.00 -0.02 C \nATOM 5462 C SER B 131 4.779 -13.356 31.881 1.00 0.60 C \nATOM 5463 O SER B 131 4.365 -13.653 33.002 1.00 -0.57 O \nATOM 5464 CB SER B 131 6.919 -12.043 31.623 1.00 0.21 C \nATOM 5465 OG SER B 131 6.726 -11.475 32.908 1.00 -0.65 O \nATOM 5466 HA SER B 131 6.767 -14.072 32.311 1.00 0.08 H \nATOM 5467 HB2 SER B 131 7.997 -12.129 31.421 1.00 0.04 H \nATOM 5468 HB3 SER B 131 6.455 -11.395 30.865 1.00 0.04 H \nATOM 5469 HG SER B 131 7.126 -10.614 32.937 1.00 0.43 H \nATOM 5470 H SER B 131 6.900 -13.470 29.522 1.00 0.27 H \nATOM 5471 N CYS B 132 3.969 -12.978 30.897 1.00 -0.42 N \nATOM 5472 CA CYS B 132 2.525 -12.973 31.065 1.00 0.02 C \nATOM 5473 C CYS B 132 1.969 -14.355 31.376 1.00 0.60 C \nATOM 5474 O CYS B 132 1.152 -14.498 32.260 1.00 -0.57 O \nATOM 5475 CB CYS B 132 1.826 -12.415 29.835 1.00 -0.12 C \nATOM 5476 SG CYS B 132 2.117 -10.660 29.590 1.00 -0.31 S \nATOM 5477 HA CYS B 132 2.294 -12.317 31.917 1.00 0.11 H \nATOM 5478 HB2 CYS B 132 2.191 -12.957 28.950 1.00 0.11 H \nATOM 5479 HB3 CYS B 132 0.744 -12.578 29.944 1.00 0.11 H \nATOM 5480 HG CYS B 132 1.630 -10.351 28.763 1.00 0.19 H \nATOM 5481 H CYS B 132 4.361 -12.691 30.023 1.00 0.27 H \nATOM 5482 N ILE B 133 2.412 -15.364 30.637 1.00 -0.42 N \nATOM 5483 CA ILE B 133 2.014 -16.740 30.891 1.00 -0.06 C \nATOM 5484 C ILE B 133 2.348 -17.186 32.325 1.00 0.60 C \nATOM 5485 O ILE B 133 1.522 -17.836 32.971 1.00 -0.57 O \nATOM 5486 CB ILE B 133 2.667 -17.683 29.858 1.00 0.13 C \nATOM 5487 CG1 ILE B 133 1.976 -17.475 28.495 1.00 -0.04 C \nATOM 5488 CG2 ILE B 133 2.557 -19.134 30.297 1.00 -0.32 C \nATOM 5489 CD1 ILE B 133 2.814 -17.812 27.291 1.00 -0.07 C \nATOM 5490 HA ILE B 133 0.923 -16.802 30.768 1.00 0.09 H \nATOM 5491 HB ILE B 133 3.732 -17.426 29.763 1.00 0.02 H \nATOM 5492 HG12 ILE B 133 1.076 -18.107 28.470 1.00 0.02 H \nATOM 5493 HG13 ILE B 133 1.684 -16.417 28.420 1.00 0.02 H \nATOM 5494 HD11 ILE B 133 3.116 -18.869 27.339 1.00 0.02 H \nATOM 5495 HD12 ILE B 133 2.228 -17.639 26.376 1.00 0.02 H \nATOM 5496 HD13 ILE B 133 3.710 -17.174 27.278 1.00 0.02 H \nATOM 5497 HG21 ILE B 133 1.497 -19.403 30.411 1.00 0.09 H \nATOM 5498 HG22 ILE B 133 3.020 -19.783 29.539 1.00 0.09 H \nATOM 5499 HG23 ILE B 133 3.074 -19.266 31.259 1.00 0.09 H \nATOM 5500 H ILE B 133 3.039 -15.173 29.882 1.00 0.27 H \nATOM 5501 N ARG B 134 3.539 -16.846 32.812 1.00 -0.35 N \nATOM 5502 CA ARG B 134 3.956 -17.241 34.180 1.00 -0.26 C \nATOM 5503 C ARG B 134 3.118 -16.549 35.239 1.00 0.73 C \nATOM 5504 O ARG B 134 2.643 -17.192 36.170 1.00 -0.59 O \nATOM 5505 CB ARG B 134 5.446 -16.979 34.440 1.00 -0.00 C \nATOM 5506 CG ARG B 134 6.346 -17.964 33.712 1.00 0.04 C \nATOM 5507 CD ARG B 134 7.804 -17.835 34.111 1.00 0.05 C \nATOM 5508 NE ARG B 134 8.330 -16.488 33.911 1.00 -0.53 N \nATOM 5509 CZ ARG B 134 8.957 -16.046 32.815 1.00 0.81 C \nATOM 5510 NH1 ARG B 134 9.160 -16.832 31.762 1.00 -0.86 N \nATOM 5511 NH2 ARG B 134 9.390 -14.790 32.777 1.00 -0.86 N \nATOM 5512 HA ARG B 134 3.788 -18.324 34.273 1.00 0.16 H \nATOM 5513 HB2 ARG B 134 5.690 -15.961 34.101 1.00 0.03 H \nATOM 5514 HB3 ARG B 134 5.635 -17.060 35.521 1.00 0.03 H \nATOM 5515 HG2 ARG B 134 6.008 -18.985 33.942 1.00 0.03 H \nATOM 5516 HG3 ARG B 134 6.261 -17.784 32.630 1.00 0.03 H \nATOM 5517 HD2 ARG B 134 7.901 -18.095 35.175 1.00 0.07 H \nATOM 5518 HD3 ARG B 134 8.397 -18.537 33.506 1.00 0.07 H \nATOM 5519 HE ARG B 134 8.207 -15.818 34.683 1.00 0.35 H \nATOM 5520 HH12 ARG B 134 9.646 -16.465 30.931 1.00 0.45 H \nATOM 5521 HH11 ARG B 134 8.831 -17.808 31.777 1.00 0.45 H \nATOM 5522 HH22 ARG B 134 9.874 -14.437 31.939 1.00 0.45 H \nATOM 5523 HH21 ARG B 134 9.241 -14.169 33.585 1.00 0.45 H \nATOM 5524 H ARG B 134 4.166 -16.313 32.244 1.00 0.27 H \nATOM 5525 N GLU B 135 2.899 -15.257 35.070 1.00 -0.52 N \nATOM 5526 CA GLU B 135 2.110 -14.488 36.033 1.00 0.04 C \nATOM 5527 C GLU B 135 0.649 -14.903 36.041 1.00 0.54 C \nATOM 5528 O GLU B 135 0.023 -14.948 37.098 1.00 -0.58 O \nATOM 5529 CB GLU B 135 2.193 -13.000 35.721 1.00 0.06 C \nATOM 5530 CG GLU B 135 3.574 -12.400 35.897 1.00 0.01 C \nATOM 5531 CD GLU B 135 3.707 -11.057 35.206 1.00 0.81 C \nATOM 5532 OE1 GLU B 135 2.764 -10.647 34.502 1.00 -0.82 O \nATOM 5533 OE2 GLU B 135 4.755 -10.400 35.366 1.00 -0.82 O \nATOM 5534 HA GLU B 135 2.527 -14.664 37.035 1.00 0.11 H \nATOM 5535 HB2 GLU B 135 1.883 -12.850 34.676 1.00 -0.02 H \nATOM 5536 HB3 GLU B 135 1.499 -12.469 36.389 1.00 -0.02 H \nATOM 5537 HG2 GLU B 135 3.768 -12.266 36.971 1.00 -0.04 H \nATOM 5538 HG3 GLU B 135 4.317 -13.091 35.473 1.00 -0.04 H \nATOM 5539 H GLU B 135 3.280 -14.796 34.269 1.00 0.29 H \nATOM 5540 N LEU B 136 0.098 -15.206 34.870 1.00 -0.42 N \nATOM 5541 CA LEU B 136 -1.278 -15.688 34.789 1.00 -0.05 C \nATOM 5542 C LEU B 136 -1.421 -17.162 35.109 1.00 0.60 C \nATOM 5543 O LEU B 136 -2.530 -17.670 35.155 1.00 -0.57 O \nATOM 5544 CB LEU B 136 -1.857 -15.423 33.396 1.00 -0.11 C \nATOM 5545 CG LEU B 136 -1.979 -13.959 32.989 1.00 0.35 C \nATOM 5546 CD1 LEU B 136 -2.274 -13.874 31.499 1.00 -0.41 C \nATOM 5547 CD2 LEU B 136 -3.076 -13.271 33.788 1.00 -0.41 C \nATOM 5548 HA LEU B 136 -1.870 -15.125 35.525 1.00 0.09 H \nATOM 5549 HB2 LEU B 136 -1.209 -15.923 32.662 1.00 0.05 H \nATOM 5550 HB3 LEU B 136 -2.863 -15.867 33.360 1.00 0.05 H \nATOM 5551 HG LEU B 136 -1.024 -13.452 33.193 1.00 -0.04 H \nATOM 5552 HD21 LEU B 136 -2.842 -13.333 34.861 1.00 0.10 H \nATOM 5553 HD22 LEU B 136 -3.141 -12.215 33.487 1.00 0.10 H \nATOM 5554 HD23 LEU B 136 -4.038 -13.768 33.593 1.00 0.10 H \nATOM 5555 HD11 LEU B 136 -3.212 -14.405 31.280 1.00 0.10 H \nATOM 5556 HD12 LEU B 136 -2.373 -12.819 31.204 1.00 0.10 H \nATOM 5557 HD13 LEU B 136 -1.450 -14.337 30.935 1.00 0.10 H \nATOM 5558 H LEU B 136 0.634 -15.102 34.032 1.00 0.27 H \nATOM 5559 N ASN B 137 -0.312 -17.859 35.297 1.00 -0.42 N \nATOM 5560 CA ASN B 137 -0.328 -19.297 35.521 1.00 0.01 C \nATOM 5561 C ASN B 137 -1.087 -20.110 34.451 1.00 0.60 C \nATOM 5562 O ASN B 137 -1.854 -21.006 34.768 1.00 -0.57 O \nATOM 5563 CB ASN B 137 -0.886 -19.605 36.914 1.00 -0.20 C \nATOM 5564 CG ASN B 137 -0.499 -20.988 37.402 1.00 0.71 C \nATOM 5565 OD1 ASN B 137 0.604 -21.478 37.124 1.00 -0.59 O \nATOM 5566 ND2 ASN B 137 -1.405 -21.630 38.136 1.00 -0.92 N \nATOM 5567 HA ASN B 137 0.718 -19.636 35.496 1.00 0.10 H \nATOM 5568 HB2 ASN B 137 -0.497 -18.859 37.623 1.00 0.08 H \nATOM 5569 HB3 ASN B 137 -1.983 -19.538 36.877 1.00 0.08 H \nATOM 5570 HD22 ASN B 137 -1.207 -22.546 38.486 1.00 0.42 H \nATOM 5571 HD21 ASN B 137 -2.284 -21.197 38.337 1.00 0.42 H \nATOM 5572 H ASN B 137 0.567 -17.382 35.285 1.00 0.27 H \nATOM 5573 N LEU B 138 -0.841 -19.807 33.182 1.00 -0.42 N \nATOM 5574 CA LEU B 138 -1.455 -20.556 32.075 1.00 -0.05 C \nATOM 5575 C LEU B 138 -0.576 -21.686 31.566 1.00 0.60 C \nATOM 5576 O LEU B 138 0.635 -21.648 31.721 1.00 -0.57 O \nATOM 5577 CB LEU B 138 -1.733 -19.606 30.907 1.00 -0.11 C \nATOM 5578 CG LEU B 138 -2.466 -18.332 31.332 1.00 0.35 C \nATOM 5579 CD1 LEU B 138 -2.789 -17.452 30.134 1.00 -0.41 C \nATOM 5580 CD2 LEU B 138 -3.725 -18.694 32.103 1.00 -0.41 C \nATOM 5581 HA LEU B 138 -2.404 -20.983 32.430 1.00 0.09 H \nATOM 5582 HB2 LEU B 138 -0.773 -19.322 30.450 1.00 0.05 H \nATOM 5583 HB3 LEU B 138 -2.350 -20.134 30.165 1.00 0.05 H \nATOM 5584 HG LEU B 138 -1.805 -17.763 32.002 1.00 -0.04 H \nATOM 5585 HD21 LEU B 138 -3.454 -19.281 32.993 1.00 0.10 H \nATOM 5586 HD22 LEU B 138 -4.242 -17.774 32.414 1.00 0.10 H \nATOM 5587 HD23 LEU B 138 -4.391 -19.289 31.460 1.00 0.10 H \nATOM 5588 HD11 LEU B 138 -3.422 -18.010 29.429 1.00 0.10 H \nATOM 5589 HD12 LEU B 138 -3.323 -16.552 30.473 1.00 0.10 H \nATOM 5590 HD13 LEU B 138 -1.855 -17.157 29.633 1.00 0.10 H \nATOM 5591 H LEU B 138 -0.222 -19.050 32.973 1.00 0.27 H \nATOM 5592 N ASN B 139 -1.186 -22.668 30.903 1.00 -0.42 N \nATOM 5593 CA ASN B 139 -0.420 -23.657 30.162 1.00 0.01 C \nATOM 5594 C ASN B 139 -0.147 -23.111 28.759 1.00 0.60 C \nATOM 5595 O ASN B 139 -1.081 -22.734 28.034 1.00 -0.57 O \nATOM 5596 CB ASN B 139 -1.170 -24.984 30.075 1.00 -0.20 C \nATOM 5597 CG ASN B 139 -1.536 -25.538 31.448 1.00 0.71 C \nATOM 5598 OD1 ASN B 139 -2.711 -25.767 31.742 1.00 -0.59 O \nATOM 5599 ND2 ASN B 139 -0.542 -25.717 32.300 1.00 -0.92 N \nATOM 5600 HA ASN B 139 0.537 -23.827 30.676 1.00 0.10 H \nATOM 5601 HB2 ASN B 139 -2.094 -24.830 29.499 1.00 0.08 H \nATOM 5602 HB3 ASN B 139 -0.533 -25.716 29.557 1.00 0.08 H \nATOM 5603 HD22 ASN B 139 -0.726 -26.078 33.214 1.00 0.42 H \nATOM 5604 HD21 ASN B 139 0.394 -25.492 32.030 1.00 0.42 H \nATOM 5605 H ASN B 139 -2.184 -22.725 30.915 1.00 0.27 H \nATOM 5606 N ALA B 140 1.133 -23.087 28.394 1.00 -0.42 N \nATOM 5607 CA ALA B 140 1.560 -22.618 27.067 1.00 0.03 C \nATOM 5608 C ALA B 140 2.657 -23.468 26.459 1.00 0.60 C \nATOM 5609 O ALA B 140 3.403 -24.164 27.182 1.00 -0.57 O \nATOM 5610 CB ALA B 140 2.057 -21.196 27.163 1.00 -0.18 C \nATOM 5611 HA ALA B 140 0.688 -22.648 26.398 1.00 0.08 H \nATOM 5612 HB1 ALA B 140 2.375 -20.851 26.168 1.00 0.06 H \nATOM 5613 HB2 ALA B 140 1.249 -20.549 27.535 1.00 0.06 H \nATOM 5614 HB3 ALA B 140 2.910 -21.152 27.856 1.00 0.06 H \nATOM 5615 H ALA B 140 1.827 -23.398 29.043 1.00 0.27 H \nATOM 5616 N VAL B 141 2.794 -23.349 25.137 1.00 -0.42 N \nATOM 5617 CA VAL B 141 3.951 -23.882 24.409 1.00 -0.09 C \nATOM 5618 C VAL B 141 4.513 -22.762 23.517 1.00 0.60 C \nATOM 5619 O VAL B 141 3.759 -21.910 23.025 1.00 -0.57 O \nATOM 5620 CB VAL B 141 3.544 -25.136 23.594 1.00 0.30 C \nATOM 5621 CG1 VAL B 141 4.674 -25.643 22.733 1.00 -0.32 C \nATOM 5622 CG2 VAL B 141 3.080 -26.251 24.539 1.00 -0.32 C \nATOM 5623 HA VAL B 141 4.725 -24.178 25.132 1.00 0.10 H \nATOM 5624 HB VAL B 141 2.706 -24.861 22.936 1.00 -0.03 H \nATOM 5625 HG11 VAL B 141 5.533 -25.902 23.370 1.00 0.08 H \nATOM 5626 HG12 VAL B 141 4.343 -26.536 22.183 1.00 0.08 H \nATOM 5627 HG13 VAL B 141 4.970 -24.861 22.018 1.00 0.08 H \nATOM 5628 HG21 VAL B 141 2.221 -25.898 25.128 1.00 0.08 H \nATOM 5629 HG22 VAL B 141 2.784 -27.132 23.950 1.00 0.08 H \nATOM 5630 HG23 VAL B 141 3.902 -26.523 25.217 1.00 0.08 H \nATOM 5631 H VAL B 141 2.079 -22.877 24.621 1.00 0.27 H \nATOM 5632 N ARG B 142 5.837 -22.733 23.355 1.00 -0.35 N \nATOM 5633 CA ARG B 142 6.500 -21.783 22.454 1.00 -0.26 C \nATOM 5634 C ARG B 142 7.180 -22.546 21.321 1.00 0.73 C \nATOM 5635 O ARG B 142 7.991 -23.441 21.563 1.00 -0.59 O \nATOM 5636 CB ARG B 142 7.548 -20.977 23.186 1.00 -0.00 C \nATOM 5637 CG ARG B 142 8.171 -19.876 22.334 1.00 0.04 C \nATOM 5638 CD ARG B 142 9.686 -19.893 22.378 1.00 0.05 C \nATOM 5639 NE ARG B 142 10.211 -19.592 23.689 1.00 -0.53 N \nATOM 5640 CZ ARG B 142 11.510 -19.526 23.982 1.00 0.81 C \nATOM 5641 NH1 ARG B 142 12.432 -19.718 23.049 1.00 -0.86 N \nATOM 5642 NH2 ARG B 142 11.895 -19.261 25.216 1.00 -0.86 N \nATOM 5643 HA ARG B 142 5.746 -21.100 22.036 1.00 0.16 H \nATOM 5644 HB2 ARG B 142 7.079 -20.513 24.066 1.00 0.03 H \nATOM 5645 HB3 ARG B 142 8.347 -21.659 23.513 1.00 0.03 H \nATOM 5646 HG2 ARG B 142 7.847 -20.011 21.292 1.00 0.03 H \nATOM 5647 HG3 ARG B 142 7.819 -18.902 22.704 1.00 0.03 H \nATOM 5648 HD2 ARG B 142 10.035 -20.893 22.081 1.00 0.07 H \nATOM 5649 HD3 ARG B 142 10.067 -19.145 21.667 1.00 0.07 H \nATOM 5650 HE ARG B 142 9.537 -19.417 24.448 1.00 0.35 H \nATOM 5651 HH12 ARG B 142 13.431 -19.663 23.293 1.00 0.45 H \nATOM 5652 HH11 ARG B 142 12.149 -19.922 22.080 1.00 0.45 H \nATOM 5653 HH22 ARG B 142 12.898 -19.210 25.443 1.00 0.45 H \nATOM 5654 HH21 ARG B 142 11.192 -19.105 25.953 1.00 0.45 H \nATOM 5655 H ARG B 142 6.399 -23.383 23.867 1.00 0.27 H \nATOM 5656 N GLY B 143 6.921 -22.161 20.080 1.00 -0.42 N \nATOM 5657 CA GLY B 143 7.514 -22.909 18.971 1.00 -0.03 C \nATOM 5658 C GLY B 143 7.152 -22.358 17.611 1.00 0.60 C \nATOM 5659 O GLY B 143 6.677 -21.254 17.493 1.00 -0.57 O \nATOM 5660 HA3 GLY B 143 8.608 -22.881 19.078 1.00 0.07 H \nATOM 5661 HA2 GLY B 143 7.166 -23.951 19.028 1.00 0.07 H \nATOM 5662 H GLY B 143 6.331 -21.373 19.904 1.00 0.27 H \nATOM 5663 N LEU B 144 7.364 -23.174 16.590 1.00 -0.42 N \nATOM 5664 CA LEU B 144 7.062 -22.800 15.216 1.00 -0.05 C \nATOM 5665 C LEU B 144 5.561 -22.912 15.007 1.00 0.60 C \nATOM 5666 O LEU B 144 4.980 -23.916 15.391 1.00 -0.57 O \nATOM 5667 CB LEU B 144 7.737 -23.816 14.297 1.00 -0.11 C \nATOM 5668 CG LEU B 144 7.296 -23.779 12.842 1.00 0.35 C \nATOM 5669 CD1 LEU B 144 7.776 -22.464 12.249 1.00 -0.41 C \nATOM 5670 CD2 LEU B 144 7.874 -24.979 12.102 1.00 -0.41 C \nATOM 5671 HA LEU B 144 7.413 -21.780 15.001 1.00 0.09 H \nATOM 5672 HB2 LEU B 144 8.821 -23.632 14.327 1.00 0.05 H \nATOM 5673 HB3 LEU B 144 7.525 -24.821 14.690 1.00 0.05 H \nATOM 5674 HG LEU B 144 6.198 -23.822 12.786 1.00 -0.04 H \nATOM 5675 HD21 LEU B 144 7.521 -25.907 12.576 1.00 0.10 H \nATOM 5676 HD22 LEU B 144 7.545 -24.956 11.053 1.00 0.10 H \nATOM 5677 HD23 LEU B 144 8.973 -24.941 12.143 1.00 0.10 H \nATOM 5678 HD11 LEU B 144 8.872 -22.404 12.328 1.00 0.10 H \nATOM 5679 HD12 LEU B 144 7.481 -22.410 11.191 1.00 0.10 H \nATOM 5680 HD13 LEU B 144 7.323 -21.626 12.799 1.00 0.10 H \nATOM 5681 H LEU B 144 7.746 -24.081 16.769 1.00 0.27 H \nATOM 5682 N ILE B 145 4.964 -21.893 14.396 1.00 -0.42 N \nATOM 5683 CA ILE B 145 3.575 -21.882 14.010 1.00 -0.06 C \nATOM 5684 C ILE B 145 3.524 -21.901 12.501 1.00 0.60 C \nATOM 5685 O ILE B 145 4.202 -21.101 11.846 1.00 -0.57 O \nATOM 5686 CB ILE B 145 2.869 -20.603 14.468 1.00 0.13 C \nATOM 5687 CG1 ILE B 145 3.160 -20.332 15.946 1.00 -0.04 C \nATOM 5688 CG2 ILE B 145 1.365 -20.639 14.203 1.00 -0.32 C \nATOM 5689 CD1 ILE B 145 2.578 -21.326 16.913 1.00 -0.07 C \nATOM 5690 HA ILE B 145 3.064 -22.762 14.429 1.00 0.09 H \nATOM 5691 HB ILE B 145 3.286 -19.768 13.885 1.00 0.02 H \nATOM 5692 HG12 ILE B 145 4.252 -20.327 16.081 1.00 0.02 H \nATOM 5693 HG13 ILE B 145 2.755 -19.340 16.195 1.00 0.02 H \nATOM 5694 HD11 ILE B 145 2.972 -22.329 16.690 1.00 0.02 H \nATOM 5695 HD12 ILE B 145 2.854 -21.044 17.940 1.00 0.02 H \nATOM 5696 HD13 ILE B 145 1.482 -21.333 16.817 1.00 0.02 H \nATOM 5697 HG21 ILE B 145 0.919 -21.492 14.736 1.00 0.09 H \nATOM 5698 HG22 ILE B 145 0.907 -19.704 14.559 1.00 0.09 H \nATOM 5699 HG23 ILE B 145 1.185 -20.747 13.123 1.00 0.09 H \nATOM 5700 H ILE B 145 5.513 -21.083 14.191 1.00 0.27 H \nATOM 5701 N VAL B 146 2.762 -22.809 11.929 1.00 -0.42 N \nATOM 5702 CA VAL B 146 2.701 -22.838 10.462 1.00 -0.09 C \nATOM 5703 C VAL B 146 1.356 -22.354 9.961 1.00 0.60 C \nATOM 5704 O VAL B 146 0.328 -22.596 10.610 1.00 -0.57 O \nATOM 5705 CB VAL B 146 3.066 -24.209 9.855 1.00 0.30 C \nATOM 5706 CG1 VAL B 146 4.516 -24.571 10.183 1.00 -0.32 C \nATOM 5707 CG2 VAL B 146 2.143 -25.317 10.328 1.00 -0.32 C \nATOM 5708 HA VAL B 146 3.456 -22.124 10.101 1.00 0.10 H \nATOM 5709 HB VAL B 146 2.968 -24.130 8.762 1.00 -0.03 H \nATOM 5710 HG11 VAL B 146 4.647 -24.608 11.275 1.00 0.08 H \nATOM 5711 HG12 VAL B 146 4.755 -25.554 9.752 1.00 0.08 H \nATOM 5712 HG13 VAL B 146 5.189 -23.811 9.758 1.00 0.08 H \nATOM 5713 HG21 VAL B 146 1.107 -25.077 10.046 1.00 0.08 H \nATOM 5714 HG22 VAL B 146 2.440 -26.267 9.859 1.00 0.08 H \nATOM 5715 HG23 VAL B 146 2.213 -25.410 11.422 1.00 0.08 H \nATOM 5716 H VAL B 146 2.239 -23.461 12.478 1.00 0.27 H \nATOM 5717 N SER B 147 1.378 -21.656 8.834 1.00 -0.42 N \nATOM 5718 CA SER B 147 0.159 -21.064 8.237 1.00 -0.02 C \nATOM 5719 C SER B 147 -0.086 -21.605 6.824 1.00 0.60 C \nATOM 5720 O SER B 147 0.857 -21.838 6.060 1.00 -0.57 O \nATOM 5721 CB SER B 147 0.272 -19.525 8.142 1.00 0.21 C \nATOM 5722 OG SER B 147 0.573 -18.911 9.394 1.00 -0.65 O \nATOM 5723 HA SER B 147 -0.700 -21.322 8.874 1.00 0.08 H \nATOM 5724 HB2 SER B 147 1.071 -19.275 7.428 1.00 0.04 H \nATOM 5725 HB3 SER B 147 -0.685 -19.125 7.776 1.00 0.04 H \nATOM 5726 HG SER B 147 0.631 -17.970 9.279 1.00 0.43 H \nATOM 5727 H SER B 147 2.253 -21.524 8.368 1.00 0.27 H \nATOM 5728 N GLY B 148 -1.348 -21.772 6.461 1.00 -0.42 N \nATOM 5729 CA GLY B 148 -1.710 -22.032 5.057 1.00 -0.03 C \nATOM 5730 C GLY B 148 -3.119 -21.548 4.799 1.00 0.60 C \nATOM 5731 O GLY B 148 -3.737 -20.916 5.674 1.00 -0.57 O \nATOM 5732 HA3 GLY B 148 -1.013 -21.499 4.394 1.00 0.07 H \nATOM 5733 HA2 GLY B 148 -1.652 -23.112 4.858 1.00 0.07 H \nATOM 5734 H GLY B 148 -2.069 -21.721 7.152 1.00 0.27 H \nATOM 5735 N ASP B 149 -3.673 -21.845 3.639 1.00 -0.52 N \nATOM 5736 CA ASP B 149 -5.071 -21.457 3.385 1.00 0.04 C \nATOM 5737 C ASP B 149 -6.016 -22.641 3.548 1.00 0.54 C \nATOM 5738 O ASP B 149 -7.062 -22.710 2.900 1.00 -0.58 O \nATOM 5739 CB ASP B 149 -5.209 -20.791 1.992 1.00 -0.03 C \nATOM 5740 CG ASP B 149 -5.017 -19.268 2.026 1.00 0.80 C \nATOM 5741 OD1 ASP B 149 -5.044 -18.655 3.130 1.00 -0.80 O \nATOM 5742 OD2 ASP B 149 -4.866 -18.659 0.937 1.00 -0.80 O \nATOM 5743 HA ASP B 149 -5.351 -20.707 4.140 1.00 0.09 H \nATOM 5744 HB2 ASP B 149 -4.452 -21.224 1.321 1.00 -0.01 H \nATOM 5745 HB3 ASP B 149 -6.213 -21.008 1.599 1.00 -0.01 H \nATOM 5746 H ASP B 149 -3.149 -22.329 2.939 1.00 0.29 H \nATOM 5747 N ALA B 150 -5.682 -23.546 4.464 1.00 -0.42 N \nATOM 5748 CA ALA B 150 -6.487 -24.728 4.721 1.00 0.03 C \nATOM 5749 C ALA B 150 -6.797 -24.899 6.219 1.00 0.60 C \nATOM 5750 O ALA B 150 -5.968 -24.593 7.093 1.00 -0.57 O \nATOM 5751 CB ALA B 150 -5.811 -25.985 4.156 1.00 -0.18 C \nATOM 5752 HA ALA B 150 -7.445 -24.597 4.197 1.00 0.08 H \nATOM 5753 HB1 ALA B 150 -6.439 -26.864 4.363 1.00 0.06 H \nATOM 5754 HB2 ALA B 150 -5.682 -25.875 3.069 1.00 0.06 H \nATOM 5755 HB3 ALA B 150 -4.827 -26.117 4.631 1.00 0.06 H \nATOM 5756 H ALA B 150 -4.846 -23.408 4.995 1.00 0.27 H \nATOM 5757 N PHE B 151 -8.027 -25.303 6.491 1.00 -0.42 N \nATOM 5758 CA PHE B 151 -8.429 -25.668 7.837 1.00 -0.00 C \nATOM 5759 C PHE B 151 -8.088 -27.130 7.975 1.00 0.60 C \nATOM 5760 O PHE B 151 -8.632 -27.963 7.281 1.00 -0.57 O \nATOM 5761 CB PHE B 151 -9.927 -25.428 8.079 1.00 -0.03 C \nATOM 5762 CG PHE B 151 -10.363 -25.784 9.481 1.00 0.01 C \nATOM 5763 CD1 PHE B 151 -10.854 -27.041 9.766 1.00 -0.13 C \nATOM 5764 CD2 PHE B 151 -10.257 -24.864 10.510 1.00 -0.13 C \nATOM 5765 CE1 PHE B 151 -11.217 -27.379 11.040 1.00 -0.17 C \nATOM 5766 CE2 PHE B 151 -10.612 -25.194 11.782 1.00 -0.17 C \nATOM 5767 CZ PHE B 151 -11.102 -26.448 12.051 1.00 -0.11 C \nATOM 5768 HA PHE B 151 -7.856 -25.078 8.568 1.00 0.10 H \nATOM 5769 HB2 PHE B 151 -10.144 -24.364 7.904 1.00 0.03 H \nATOM 5770 HB3 PHE B 151 -10.500 -26.041 7.368 1.00 0.03 H \nATOM 5771 HD2 PHE B 151 -9.886 -23.867 10.300 1.00 0.13 H \nATOM 5772 HE2 PHE B 151 -10.508 -24.468 12.581 1.00 0.14 H \nATOM 5773 HZ PHE B 151 -11.399 -26.707 13.061 1.00 0.13 H \nATOM 5774 HE1 PHE B 151 -11.593 -28.373 11.254 1.00 0.14 H \nATOM 5775 HD1 PHE B 151 -10.953 -27.770 8.970 1.00 0.13 H \nATOM 5776 H PHE B 151 -8.697 -25.358 5.750 1.00 0.27 H \nATOM 5777 N ILE B 152 -7.188 -27.432 8.879 1.00 -0.42 N \nATOM 5778 CA ILE B 152 -6.615 -28.759 8.966 1.00 -0.06 C \nATOM 5779 C ILE B 152 -7.552 -29.680 9.798 1.00 0.60 C \nATOM 5780 O ILE B 152 -7.964 -29.344 10.918 1.00 -0.57 O \nATOM 5781 CB ILE B 152 -5.199 -28.696 9.529 1.00 0.13 C \nATOM 5782 CG1 ILE B 152 -4.329 -27.726 8.716 1.00 -0.04 C \nATOM 5783 CG2 ILE B 152 -4.567 -30.073 9.576 1.00 -0.32 C \nATOM 5784 CD1 ILE B 152 -4.348 -27.943 7.209 1.00 -0.07 C \nATOM 5785 HA ILE B 152 -6.551 -29.174 7.949 1.00 0.09 H \nATOM 5786 HB ILE B 152 -5.261 -28.316 10.559 1.00 0.02 H \nATOM 5787 HG12 ILE B 152 -4.681 -26.703 8.917 1.00 0.02 H \nATOM 5788 HG13 ILE B 152 -3.290 -27.830 9.061 1.00 0.02 H \nATOM 5789 HD11 ILE B 152 -5.378 -27.839 6.836 1.00 0.02 H \nATOM 5790 HD12 ILE B 152 -3.705 -27.195 6.723 1.00 0.02 H \nATOM 5791 HD13 ILE B 152 -3.975 -28.952 6.979 1.00 0.02 H \nATOM 5792 HG21 ILE B 152 -4.532 -30.495 8.561 1.00 0.09 H \nATOM 5793 HG22 ILE B 152 -3.545 -29.994 9.976 1.00 0.09 H \nATOM 5794 HG23 ILE B 152 -5.165 -30.729 10.225 1.00 0.09 H \nATOM 5795 H ILE B 152 -6.890 -26.729 9.524 1.00 0.27 H \nATOM 5796 N ASN B 153 -7.891 -30.816 9.200 1.00 -0.42 N \nATOM 5797 CA ASN B 153 -8.999 -31.671 9.641 1.00 0.01 C \nATOM 5798 C ASN B 153 -8.565 -33.166 9.565 1.00 0.60 C \nATOM 5799 O ASN B 153 -9.293 -34.027 9.069 1.00 -0.57 O \nATOM 5800 CB ASN B 153 -10.214 -31.360 8.734 1.00 -0.20 C \nATOM 5801 CG ASN B 153 -11.541 -31.925 9.253 1.00 0.71 C \nATOM 5802 OD1 ASN B 153 -12.331 -32.447 8.470 1.00 -0.59 O \nATOM 5803 ND2 ASN B 153 -11.801 -31.793 10.547 1.00 -0.92 N \nATOM 5804 HA ASN B 153 -9.258 -31.433 10.683 1.00 0.10 H \nATOM 5805 HB2 ASN B 153 -10.312 -30.268 8.650 1.00 0.08 H \nATOM 5806 HB3 ASN B 153 -10.021 -31.788 7.739 1.00 0.08 H \nATOM 5807 HD22 ASN B 153 -12.656 -32.149 10.924 1.00 0.42 H \nATOM 5808 HD21 ASN B 153 -11.142 -31.338 11.146 1.00 0.42 H \nATOM 5809 H ASN B 153 -7.361 -31.106 8.403 1.00 0.27 H \nATOM 5810 N GLY B 154 -7.367 -33.462 10.060 1.00 -0.42 N \nATOM 5811 CA GLY B 154 -6.869 -34.813 10.041 1.00 -0.03 C \nATOM 5812 C GLY B 154 -6.491 -35.333 8.657 1.00 0.60 C \nATOM 5813 O GLY B 154 -6.225 -34.567 7.731 1.00 -0.57 O \nATOM 5814 HA3 GLY B 154 -5.975 -34.858 10.680 1.00 0.07 H \nATOM 5815 HA2 GLY B 154 -7.648 -35.471 10.454 1.00 0.07 H \nATOM 5816 H GLY B 154 -6.803 -32.735 10.452 1.00 0.27 H \nATOM 5817 N SER B 155 -6.466 -36.656 8.527 1.00 -0.42 N \nATOM 5818 CA SER B 155 -6.167 -37.304 7.261 1.00 -0.02 C \nATOM 5819 C SER B 155 -4.843 -36.787 6.641 1.00 0.60 C \nATOM 5820 O SER B 155 -3.854 -36.508 7.362 1.00 -0.57 O \nATOM 5821 CB SER B 155 -7.374 -37.137 6.322 1.00 0.21 C \nATOM 5822 OG SER B 155 -7.203 -37.875 5.126 1.00 -0.65 O \nATOM 5823 HA SER B 155 -6.037 -38.379 7.453 1.00 0.08 H \nATOM 5824 HB2 SER B 155 -8.279 -37.493 6.836 1.00 0.04 H \nATOM 5825 HB3 SER B 155 -7.489 -36.072 6.072 1.00 0.04 H \nATOM 5826 HG SER B 155 -7.962 -37.753 4.567 1.00 0.43 H \nATOM 5827 H SER B 155 -6.659 -37.224 9.327 1.00 0.27 H \nATOM 5828 N VAL B 156 -4.823 -36.671 5.314 1.00 -0.42 N \nATOM 5829 CA VAL B 156 -3.602 -36.355 4.568 1.00 -0.09 C \nATOM 5830 C VAL B 156 -3.140 -34.900 4.722 1.00 0.60 C \nATOM 5831 O VAL B 156 -1.954 -34.634 4.634 1.00 -0.57 O \nATOM 5832 CB VAL B 156 -3.725 -36.732 3.061 1.00 0.30 C \nATOM 5833 CG1 VAL B 156 -4.115 -38.207 2.904 1.00 -0.32 C \nATOM 5834 CG2 VAL B 156 -4.692 -35.820 2.318 1.00 -0.32 C \nATOM 5835 HA VAL B 156 -2.807 -36.985 4.994 1.00 0.10 H \nATOM 5836 HB VAL B 156 -2.733 -36.599 2.605 1.00 -0.03 H \nATOM 5837 HG11 VAL B 156 -5.078 -38.387 3.405 1.00 0.08 H \nATOM 5838 HG12 VAL B 156 -4.207 -38.450 1.835 1.00 0.08 H \nATOM 5839 HG13 VAL B 156 -3.340 -38.842 3.359 1.00 0.08 H \nATOM 5840 HG21 VAL B 156 -4.344 -34.779 2.391 1.00 0.08 H \nATOM 5841 HG22 VAL B 156 -4.737 -36.118 1.260 1.00 0.08 H \nATOM 5842 HG23 VAL B 156 -5.693 -35.904 2.766 1.00 0.08 H \nATOM 5843 H VAL B 156 -5.675 -36.805 4.807 1.00 0.27 H \nATOM 5844 N GLY B 157 -4.062 -33.968 4.957 1.00 -0.42 N \nATOM 5845 CA GLY B 157 -3.697 -32.576 5.282 1.00 -0.03 C \nATOM 5846 C GLY B 157 -2.806 -32.435 6.514 1.00 0.60 C \nATOM 5847 O GLY B 157 -1.840 -31.707 6.510 1.00 -0.57 O \nATOM 5848 HA3 GLY B 157 -3.164 -32.149 4.420 1.00 0.07 H \nATOM 5849 HA2 GLY B 157 -4.623 -32.009 5.459 1.00 0.07 H \nATOM 5850 H GLY B 157 -5.029 -34.219 4.912 1.00 0.27 H \nATOM 5851 N LEU B 158 -3.162 -33.134 7.578 1.00 -0.42 N \nATOM 5852 CA LEU B 158 -2.394 -33.196 8.803 1.00 -0.05 C \nATOM 5853 C LEU B 158 -1.088 -33.963 8.665 1.00 0.60 C \nATOM 5854 O LEU B 158 -0.048 -33.519 9.136 1.00 -0.57 O \nATOM 5855 CB LEU B 158 -3.246 -33.850 9.895 1.00 -0.11 C \nATOM 5856 CG LEU B 158 -2.658 -33.983 11.287 1.00 0.35 C \nATOM 5857 CD1 LEU B 158 -2.144 -32.642 11.783 1.00 -0.41 C \nATOM 5858 CD2 LEU B 158 -3.699 -34.563 12.228 1.00 -0.41 C \nATOM 5859 HA LEU B 158 -2.154 -32.166 9.107 1.00 0.09 H \nATOM 5860 HB2 LEU B 158 -4.168 -33.257 9.987 1.00 0.05 H \nATOM 5861 HB3 LEU B 158 -3.495 -34.864 9.549 1.00 0.05 H \nATOM 5862 HG LEU B 158 -1.808 -34.679 11.241 1.00 -0.04 H \nATOM 5863 HD21 LEU B 158 -4.016 -35.550 11.861 1.00 0.10 H \nATOM 5864 HD22 LEU B 158 -3.266 -34.668 13.234 1.00 0.10 H \nATOM 5865 HD23 LEU B 158 -4.569 -33.891 12.271 1.00 0.10 H \nATOM 5866 HD11 LEU B 158 -2.971 -31.918 11.805 1.00 0.10 H \nATOM 5867 HD12 LEU B 158 -1.732 -32.759 12.796 1.00 0.10 H \nATOM 5868 HD13 LEU B 158 -1.356 -32.278 11.107 1.00 0.10 H \nATOM 5869 H LEU B 158 -4.016 -33.653 7.534 1.00 0.27 H \nATOM 5870 N ALA B 159 -1.145 -35.120 8.028 1.00 -0.42 N \nATOM 5871 CA ALA B 159 0.050 -35.956 7.863 1.00 0.03 C \nATOM 5872 C ALA B 159 1.101 -35.247 7.023 1.00 0.60 C \nATOM 5873 O ALA B 159 2.275 -35.350 7.288 1.00 -0.57 O \nATOM 5874 CB ALA B 159 -0.332 -37.297 7.250 1.00 -0.18 C \nATOM 5875 HA ALA B 159 0.480 -36.143 8.858 1.00 0.08 H \nATOM 5876 HB1 ALA B 159 0.570 -37.916 7.130 1.00 0.06 H \nATOM 5877 HB2 ALA B 159 -1.045 -37.812 7.910 1.00 0.06 H \nATOM 5878 HB3 ALA B 159 -0.796 -37.132 6.267 1.00 0.06 H \nATOM 5879 H ALA B 159 -2.018 -35.431 7.652 1.00 0.27 H \nATOM 5880 N LYS B 160 0.679 -34.459 6.043 1.00 -0.35 N \nATOM 5881 CA LYS B 160 1.631 -33.670 5.285 1.00 -0.24 C \nATOM 5882 C LYS B 160 2.387 -32.682 6.152 1.00 0.73 C \nATOM 5883 O LYS B 160 3.589 -32.577 6.035 1.00 -0.59 O \nATOM 5884 CB LYS B 160 0.922 -32.939 4.164 1.00 -0.01 C \nATOM 5885 CG LYS B 160 1.841 -32.472 3.066 1.00 0.02 C \nATOM 5886 CD LYS B 160 1.053 -32.039 1.819 1.00 -0.05 C \nATOM 5887 CE LYS B 160 1.946 -31.200 0.893 1.00 -0.01 C \nATOM 5888 NZ LYS B 160 3.270 -31.840 0.715 1.00 -0.39 N \nATOM 5889 HA LYS B 160 2.364 -34.360 4.841 1.00 0.14 H \nATOM 5890 HB2 LYS B 160 0.175 -33.617 3.726 1.00 0.04 H \nATOM 5891 HB3 LYS B 160 0.415 -32.060 4.589 1.00 0.04 H \nATOM 5892 HG2 LYS B 160 2.430 -31.618 3.432 1.00 0.01 H \nATOM 5893 HG3 LYS B 160 2.519 -33.294 2.793 1.00 0.01 H \nATOM 5894 HD2 LYS B 160 0.707 -32.933 1.279 1.00 0.06 H \nATOM 5895 HD3 LYS B 160 0.185 -31.439 2.128 1.00 0.06 H \nATOM 5896 HE2 LYS B 160 1.458 -31.103 -0.088 1.00 0.11 H \nATOM 5897 HE3 LYS B 160 2.085 -30.202 1.334 1.00 0.11 H \nATOM 5898 HZ1 LYS B 160 3.149 -32.758 0.317 1.00 0.34 H \nATOM 5899 HZ2 LYS B 160 3.835 -31.278 0.097 1.00 0.34 H \nATOM 5900 HZ3 LYS B 160 3.728 -31.919 1.610 1.00 0.34 H \nATOM 5901 H LYS B 160 -0.296 -34.409 5.827 1.00 0.27 H \nATOM 5902 N ILE B 161 1.684 -31.957 7.012 1.00 -0.42 N \nATOM 5903 CA ILE B 161 2.292 -30.967 7.859 1.00 -0.06 C \nATOM 5904 C ILE B 161 3.262 -31.643 8.839 1.00 0.60 C \nATOM 5905 O ILE B 161 4.382 -31.184 9.062 1.00 -0.57 O \nATOM 5906 CB ILE B 161 1.244 -30.137 8.650 1.00 0.13 C \nATOM 5907 CG1 ILE B 161 0.447 -29.229 7.708 1.00 -0.04 C \nATOM 5908 CG2 ILE B 161 1.940 -29.318 9.761 1.00 -0.32 C \nATOM 5909 CD1 ILE B 161 -0.946 -28.910 8.188 1.00 -0.07 C \nATOM 5910 HA ILE B 161 2.863 -30.277 7.221 1.00 0.09 H \nATOM 5911 HB ILE B 161 0.540 -30.835 9.128 1.00 0.02 H \nATOM 5912 HG12 ILE B 161 0.997 -28.283 7.593 1.00 0.02 H \nATOM 5913 HG13 ILE B 161 0.369 -29.729 6.731 1.00 0.02 H \nATOM 5914 HD11 ILE B 161 -0.891 -28.406 9.164 1.00 0.02 H \nATOM 5915 HD12 ILE B 161 -1.442 -28.249 7.462 1.00 0.02 H \nATOM 5916 HD13 ILE B 161 -1.522 -29.842 8.288 1.00 0.02 H \nATOM 5917 HG21 ILE B 161 2.680 -28.642 9.309 1.00 0.09 H \nATOM 5918 HG22 ILE B 161 1.189 -28.728 10.306 1.00 0.09 H \nATOM 5919 HG23 ILE B 161 2.446 -30.002 10.458 1.00 0.09 H \nATOM 5920 H ILE B 161 0.697 -32.104 7.073 1.00 0.27 H \nATOM 5921 N ARG B 162 2.813 -32.732 9.434 1.00 -0.35 N \nATOM 5922 CA ARG B 162 3.614 -33.420 10.435 1.00 -0.26 C \nATOM 5923 C ARG B 162 4.909 -33.975 9.852 1.00 0.73 C \nATOM 5924 O ARG B 162 5.909 -34.040 10.528 1.00 -0.59 O \nATOM 5925 CB ARG B 162 2.783 -34.551 11.073 1.00 -0.00 C \nATOM 5926 CG ARG B 162 1.530 -34.038 11.760 1.00 0.04 C \nATOM 5927 CD ARG B 162 1.357 -34.629 13.139 1.00 0.05 C \nATOM 5928 NE ARG B 162 2.276 -33.977 14.063 1.00 -0.53 N \nATOM 5929 CZ ARG B 162 1.932 -33.273 15.141 1.00 0.81 C \nATOM 5930 NH1 ARG B 162 0.651 -33.123 15.502 1.00 -0.86 N \nATOM 5931 NH2 ARG B 162 2.900 -32.733 15.887 1.00 -0.86 N \nATOM 5932 HA ARG B 162 3.878 -32.696 11.220 1.00 0.16 H \nATOM 5933 HB2 ARG B 162 2.488 -35.259 10.285 1.00 0.03 H \nATOM 5934 HB3 ARG B 162 3.406 -35.069 11.817 1.00 0.03 H \nATOM 5935 HG2 ARG B 162 1.597 -32.944 11.849 1.00 0.03 H \nATOM 5936 HG3 ARG B 162 0.656 -34.304 11.148 1.00 0.03 H \nATOM 5937 HD2 ARG B 162 0.322 -34.472 13.478 1.00 0.07 H \nATOM 5938 HD3 ARG B 162 1.573 -35.707 13.106 1.00 0.07 H \nATOM 5939 HE ARG B 162 3.283 -34.069 13.865 1.00 0.35 H \nATOM 5940 HH12 ARG B 162 0.413 -32.574 16.340 1.00 0.45 H \nATOM 5941 HH11 ARG B 162 -0.096 -33.557 14.942 1.00 0.45 H \nATOM 5942 HH22 ARG B 162 2.659 -32.185 16.725 1.00 0.45 H \nATOM 5943 HH21 ARG B 162 3.887 -32.865 15.624 1.00 0.45 H \nATOM 5944 H ARG B 162 1.910 -33.089 9.194 1.00 0.27 H \nATOM 5945 N HIS B 163 4.856 -34.390 8.597 1.00 -0.42 N \nATOM 5946 CA HIS B 163 6.034 -34.792 7.843 1.00 0.02 C \nATOM 5947 C HIS B 163 7.033 -33.642 7.576 1.00 0.60 C \nATOM 5948 O HIS B 163 8.224 -33.765 7.830 1.00 -0.57 O \nATOM 5949 CB HIS B 163 5.565 -35.376 6.516 1.00 -0.05 C \nATOM 5950 CG HIS B 163 6.675 -35.855 5.645 1.00 -0.03 C \nATOM 5951 ND1 HIS B 163 7.043 -35.202 4.490 1.00 -0.38 N \nATOM 5952 CD2 HIS B 163 7.495 -36.924 5.754 1.00 0.13 C \nATOM 5953 CE1 HIS B 163 8.063 -35.833 3.933 1.00 0.21 C \nATOM 5954 NE2 HIS B 163 8.348 -36.889 4.672 1.00 -0.57 N \nATOM 5955 HA HIS B 163 6.559 -35.571 8.415 1.00 0.09 H \nATOM 5956 HB2 HIS B 163 4.898 -36.225 6.727 1.00 0.04 H \nATOM 5957 HB3 HIS B 163 5.008 -34.599 5.972 1.00 0.04 H \nATOM 5958 HD2 HIS B 163 7.484 -37.671 6.546 1.00 0.11 H \nATOM 5959 HE1 HIS B 163 8.579 -35.533 3.022 1.00 0.14 H \nATOM 5960 HD1 HIS B 163 6.593 -34.353 4.118 1.00 0.36 H \nATOM 5961 H HIS B 163 3.965 -34.429 8.145 1.00 0.27 H \nATOM 5962 N ASN B 164 6.524 -32.525 7.069 1.00 -0.42 N \nATOM 5963 CA ASN B 164 7.350 -31.417 6.652 1.00 0.01 C \nATOM 5964 C ASN B 164 7.788 -30.532 7.827 1.00 0.60 C \nATOM 5965 O ASN B 164 8.852 -29.925 7.755 1.00 -0.57 O \nATOM 5966 CB ASN B 164 6.618 -30.578 5.581 1.00 -0.20 C \nATOM 5967 CG ASN B 164 6.596 -31.255 4.230 1.00 0.71 C \nATOM 5968 OD1 ASN B 164 7.605 -31.804 3.805 1.00 -0.59 O \nATOM 5969 ND2 ASN B 164 5.450 -31.201 3.529 1.00 -0.92 N \nATOM 5970 HA ASN B 164 8.259 -31.834 6.194 1.00 0.10 H \nATOM 5971 HB2 ASN B 164 5.581 -30.413 5.910 1.00 0.08 H \nATOM 5972 HB3 ASN B 164 7.129 -29.609 5.482 1.00 0.08 H \nATOM 5973 HD22 ASN B 164 5.393 -31.636 2.630 1.00 0.42 H \nATOM 5974 HD21 ASN B 164 4.655 -30.726 3.906 1.00 0.42 H \nATOM 5975 H ASN B 164 5.532 -32.449 6.973 1.00 0.27 H \nATOM 5976 N PHE B 165 6.989 -30.477 8.887 1.00 -0.42 N \nATOM 5977 CA PHE B 165 7.253 -29.622 10.042 1.00 -0.00 C \nATOM 5978 C PHE B 165 6.978 -30.409 11.327 1.00 0.60 C \nATOM 5979 O PHE B 165 6.024 -30.126 12.059 1.00 -0.57 O \nATOM 5980 CB PHE B 165 6.377 -28.349 9.990 1.00 -0.03 C \nATOM 5981 CG PHE B 165 6.518 -27.575 8.711 1.00 0.01 C \nATOM 5982 CD1 PHE B 165 5.641 -27.790 7.676 1.00 -0.13 C \nATOM 5983 CD2 PHE B 165 7.567 -26.706 8.532 1.00 -0.13 C \nATOM 5984 CE1 PHE B 165 5.788 -27.117 6.481 1.00 -0.17 C \nATOM 5985 CE2 PHE B 165 7.741 -26.018 7.355 1.00 -0.17 C \nATOM 5986 CZ PHE B 165 6.841 -26.223 6.313 1.00 -0.11 C \nATOM 5987 HA PHE B 165 8.311 -29.321 10.028 1.00 0.10 H \nATOM 5988 HB2 PHE B 165 5.324 -28.646 10.102 1.00 0.03 H \nATOM 5989 HB3 PHE B 165 6.664 -27.695 10.826 1.00 0.03 H \nATOM 5990 HD2 PHE B 165 8.275 -26.559 9.339 1.00 0.13 H \nATOM 5991 HE2 PHE B 165 8.567 -25.326 7.240 1.00 0.14 H \nATOM 5992 HZ PHE B 165 6.960 -25.690 5.377 1.00 0.13 H \nATOM 5993 HE1 PHE B 165 5.084 -27.284 5.674 1.00 0.14 H \nATOM 5994 HD1 PHE B 165 4.826 -28.495 7.799 1.00 0.13 H \nATOM 5995 H PHE B 165 6.168 -31.048 8.895 1.00 0.27 H \nATOM 5996 N PRO B 166 7.812 -31.414 11.605 1.00 -0.25 N \nATOM 5997 CA PRO B 166 7.568 -32.273 12.745 1.00 -0.03 C \nATOM 5998 C PRO B 166 7.605 -31.552 14.066 1.00 0.59 C \nATOM 5999 O PRO B 166 6.901 -31.970 14.967 1.00 -0.57 O \nATOM 6000 CB PRO B 166 8.676 -33.340 12.634 1.00 -0.01 C \nATOM 6001 CG PRO B 166 9.720 -32.708 11.809 1.00 0.02 C \nATOM 6002 CD PRO B 166 9.009 -31.830 10.855 1.00 0.02 C \nATOM 6003 HA PRO B 166 6.580 -32.746 12.645 1.00 0.06 H \nATOM 6004 HD3 PRO B 166 8.732 -32.381 9.944 1.00 0.04 H \nATOM 6005 HD2 PRO B 166 9.626 -30.961 10.584 1.00 0.04 H \nATOM 6006 HG3 PRO B 166 10.295 -33.474 11.268 1.00 0.02 H \nATOM 6007 HG2 PRO B 166 10.400 -32.116 12.440 1.00 0.02 H \nATOM 6008 HB2 PRO B 166 9.069 -33.596 13.629 1.00 0.03 H \nATOM 6009 HB3 PRO B 166 8.293 -34.248 12.146 1.00 0.03 H \nATOM 6010 N ASP B 167 8.351 -30.451 14.180 1.00 -0.52 N \nATOM 6011 CA ASP B 167 8.322 -29.627 15.400 1.00 0.04 C \nATOM 6012 C ASP B 167 7.301 -28.442 15.404 1.00 0.54 C \nATOM 6013 O ASP B 167 7.323 -27.642 16.325 1.00 -0.58 O \nATOM 6014 CB ASP B 167 9.721 -29.078 15.694 1.00 -0.03 C \nATOM 6015 CG ASP B 167 10.712 -30.166 16.132 1.00 0.80 C \nATOM 6016 OD1 ASP B 167 10.274 -31.210 16.685 1.00 -0.80 O \nATOM 6017 OD2 ASP B 167 11.945 -29.952 15.956 1.00 -0.80 O \nATOM 6018 HA ASP B 167 8.037 -30.296 16.226 1.00 0.09 H \nATOM 6019 HB2 ASP B 167 10.108 -28.598 14.783 1.00 -0.01 H \nATOM 6020 HB3 ASP B 167 9.643 -28.331 16.498 1.00 -0.01 H \nATOM 6021 H ASP B 167 8.942 -30.180 13.420 1.00 0.29 H \nATOM 6022 N ALA B 168 6.441 -28.293 14.388 1.00 -0.42 N \nATOM 6023 CA ALA B 168 5.421 -27.225 14.463 1.00 0.03 C \nATOM 6024 C ALA B 168 4.544 -27.467 15.702 1.00 0.60 C \nATOM 6025 O ALA B 168 4.077 -28.580 15.897 1.00 -0.57 O \nATOM 6026 CB ALA B 168 4.556 -27.209 13.218 1.00 -0.18 C \nATOM 6027 HA ALA B 168 5.925 -26.252 14.558 1.00 0.08 H \nATOM 6028 HB1 ALA B 168 3.808 -26.407 13.301 1.00 0.06 H \nATOM 6029 HB2 ALA B 168 5.187 -27.031 12.335 1.00 0.06 H \nATOM 6030 HB3 ALA B 168 4.045 -28.177 13.114 1.00 0.06 H \nATOM 6031 H ALA B 168 6.488 -28.895 13.591 1.00 0.27 H \nATOM 6032 N VAL B 169 4.278 -26.429 16.495 1.00 -0.42 N \nATOM 6033 CA VAL B 169 3.418 -26.577 17.658 1.00 -0.09 C \nATOM 6034 C VAL B 169 1.936 -26.284 17.351 1.00 0.60 C \nATOM 6035 O VAL B 169 1.044 -26.743 18.072 1.00 -0.57 O \nATOM 6036 CB VAL B 169 3.874 -25.678 18.829 1.00 0.30 C \nATOM 6037 CG1 VAL B 169 5.311 -25.997 19.231 1.00 -0.32 C \nATOM 6038 CG2 VAL B 169 3.749 -24.205 18.476 1.00 -0.32 C \nATOM 6039 HA VAL B 169 3.492 -27.624 17.986 1.00 0.10 H \nATOM 6040 HB VAL B 169 3.221 -25.882 19.690 1.00 -0.03 H \nATOM 6041 HG11 VAL B 169 5.977 -25.836 18.370 1.00 0.08 H \nATOM 6042 HG12 VAL B 169 5.615 -25.338 20.058 1.00 0.08 H \nATOM 6043 HG13 VAL B 169 5.377 -27.046 19.555 1.00 0.08 H \nATOM 6044 HG21 VAL B 169 2.701 -23.974 18.234 1.00 0.08 H \nATOM 6045 HG22 VAL B 169 4.071 -23.594 19.332 1.00 0.08 H \nATOM 6046 HG23 VAL B 169 4.384 -23.981 17.606 1.00 0.08 H \nATOM 6047 H VAL B 169 4.676 -25.535 16.287 1.00 0.27 H \nATOM 6048 N ALA B 170 1.667 -25.470 16.337 1.00 -0.42 N \nATOM 6049 CA ALA B 170 0.301 -25.147 15.993 1.00 0.03 C \nATOM 6050 C ALA B 170 0.149 -24.748 14.508 1.00 0.60 C \nATOM 6051 O ALA B 170 1.138 -24.421 13.804 1.00 -0.57 O \nATOM 6052 CB ALA B 170 -0.220 -24.040 16.895 1.00 -0.18 C \nATOM 6053 HA ALA B 170 -0.310 -26.045 16.164 1.00 0.08 H \nATOM 6054 HB1 ALA B 170 -1.259 -23.804 16.623 1.00 0.06 H \nATOM 6055 HB2 ALA B 170 -0.182 -24.372 17.943 1.00 0.06 H \nATOM 6056 HB3 ALA B 170 0.404 -23.143 16.772 1.00 0.06 H \nATOM 6057 H ALA B 170 2.417 -25.076 15.806 1.00 0.27 H \nATOM 6058 N VAL B 171 -1.098 -24.755 14.051 1.00 -0.42 N \nATOM 6059 CA VAL B 171 -1.389 -24.391 12.665 1.00 -0.09 C \nATOM 6060 C VAL B 171 -2.502 -23.374 12.647 1.00 0.60 C \nATOM 6061 O VAL B 171 -3.470 -23.465 13.437 1.00 -0.57 O \nATOM 6062 CB VAL B 171 -1.737 -25.630 11.783 1.00 0.30 C \nATOM 6063 CG1 VAL B 171 -2.947 -26.356 12.318 1.00 -0.32 C \nATOM 6064 CG2 VAL B 171 -1.974 -25.227 10.325 1.00 -0.32 C \nATOM 6065 HA VAL B 171 -0.489 -23.923 12.240 1.00 0.10 H \nATOM 6066 HB VAL B 171 -0.880 -26.319 11.814 1.00 -0.03 H \nATOM 6067 HG11 VAL B 171 -3.808 -25.672 12.333 1.00 0.08 H \nATOM 6068 HG12 VAL B 171 -3.174 -27.217 11.672 1.00 0.08 H \nATOM 6069 HG13 VAL B 171 -2.741 -26.709 13.339 1.00 0.08 H \nATOM 6070 HG21 VAL B 171 -1.069 -24.746 9.926 1.00 0.08 H \nATOM 6071 HG22 VAL B 171 -2.206 -26.123 9.730 1.00 0.08 H \nATOM 6072 HG23 VAL B 171 -2.817 -24.523 10.272 1.00 0.08 H \nATOM 6073 H VAL B 171 -1.847 -25.012 14.662 1.00 0.27 H \nATOM 6074 N GLU B 172 -2.401 -22.416 11.727 1.00 -0.52 N \nATOM 6075 CA GLU B 172 -3.524 -21.543 11.475 1.00 0.04 C \nATOM 6076 C GLU B 172 -3.441 -20.999 10.035 1.00 0.54 C \nATOM 6077 O GLU B 172 -2.872 -21.676 9.180 1.00 -0.58 O \nATOM 6078 CB GLU B 172 -3.693 -20.472 12.570 1.00 0.06 C \nATOM 6079 CG GLU B 172 -2.429 -19.889 13.090 1.00 0.01 C \nATOM 6080 CD GLU B 172 -1.732 -19.186 11.999 1.00 0.81 C \nATOM 6081 OE1 GLU B 172 -0.628 -19.632 11.616 1.00 -0.82 O \nATOM 6082 OE2 GLU B 172 -2.330 -18.215 11.491 1.00 -0.82 O \nATOM 6083 HA GLU B 172 -4.430 -22.165 11.520 1.00 0.11 H \nATOM 6084 HB2 GLU B 172 -4.299 -19.653 12.154 1.00 -0.02 H \nATOM 6085 HB3 GLU B 172 -4.228 -20.931 13.414 1.00 -0.02 H \nATOM 6086 HG2 GLU B 172 -2.657 -19.179 13.898 1.00 -0.04 H \nATOM 6087 HG3 GLU B 172 -1.786 -20.693 13.479 1.00 -0.04 H \nATOM 6088 H GLU B 172 -1.551 -22.302 11.213 1.00 0.29 H \nATOM 6089 N MET B 173 -4.046 -19.852 9.759 1.00 -0.42 N \nATOM 6090 CA MET B 173 -4.280 -19.421 8.372 1.00 -0.02 C \nATOM 6091 C MET B 173 -3.886 -17.988 8.058 1.00 0.60 C \nATOM 6092 O MET B 173 -4.169 -17.479 6.967 1.00 -0.57 O \nATOM 6093 CB MET B 173 -5.758 -19.661 8.027 1.00 0.03 C \nATOM 6094 CG MET B 173 -6.185 -21.121 8.054 1.00 0.00 C \nATOM 6095 SD MET B 173 -7.934 -21.494 7.695 1.00 -0.27 S \nATOM 6096 CE MET B 173 -8.060 -20.853 6.030 1.00 -0.05 C \nATOM 6097 HA MET B 173 -3.669 -20.067 7.725 1.00 0.09 H \nATOM 6098 HB2 MET B 173 -6.374 -19.110 8.753 1.00 0.02 H \nATOM 6099 HB3 MET B 173 -5.943 -19.268 7.016 1.00 0.02 H \nATOM 6100 HG2 MET B 173 -5.575 -21.656 7.312 1.00 0.04 H \nATOM 6101 HG3 MET B 173 -5.965 -21.510 9.059 1.00 0.04 H \nATOM 6102 HE1 MET B 173 -7.342 -21.375 5.381 1.00 0.07 H \nATOM 6103 HE2 MET B 173 -9.080 -21.013 5.652 1.00 0.07 H \nATOM 6104 HE3 MET B 173 -7.835 -19.776 6.034 1.00 0.07 H \nATOM 6105 H MET B 173 -4.350 -19.267 10.511 1.00 0.27 H \nATOM 6106 N GLU B 174 -3.270 -17.299 9.012 1.00 -0.52 N \nATOM 6107 CA GLU B 174 -2.963 -15.905 8.837 1.00 0.04 C \nATOM 6108 C GLU B 174 -1.579 -15.514 9.308 1.00 0.54 C \nATOM 6109 O GLU B 174 -1.044 -14.546 8.789 1.00 -0.58 O \nATOM 6110 CB GLU B 174 -3.960 -15.030 9.603 1.00 0.06 C \nATOM 6111 CG GLU B 174 -5.398 -15.108 9.084 1.00 0.01 C \nATOM 6112 CD GLU B 174 -6.205 -16.265 9.664 1.00 0.81 C \nATOM 6113 OE1 GLU B 174 -7.217 -16.644 9.044 1.00 -0.82 O \nATOM 6114 OE2 GLU B 174 -5.825 -16.777 10.743 1.00 -0.82 O \nATOM 6115 HA GLU B 174 -3.040 -15.680 7.763 1.00 0.11 H \nATOM 6116 HB2 GLU B 174 -3.957 -15.346 10.657 1.00 -0.02 H \nATOM 6117 HB3 GLU B 174 -3.625 -13.985 9.533 1.00 -0.02 H \nATOM 6118 HG2 GLU B 174 -5.909 -14.168 9.339 1.00 -0.04 H \nATOM 6119 HG3 GLU B 174 -5.365 -15.223 7.991 1.00 -0.04 H \nATOM 6120 H GLU B 174 -3.016 -17.756 9.864 1.00 0.29 H \nATOM 6121 N ALA B 175 -1.014 -16.226 10.293 1.00 -0.42 N \nATOM 6122 CA ALA B 175 0.103 -15.661 11.089 1.00 0.03 C \nATOM 6123 C ALA B 175 1.339 -15.390 10.258 1.00 0.60 C \nATOM 6124 O ALA B 175 1.975 -14.360 10.409 1.00 -0.57 O \nATOM 6125 CB ALA B 175 0.461 -16.589 12.258 1.00 -0.18 C \nATOM 6126 HA ALA B 175 -0.238 -14.702 11.505 1.00 0.08 H \nATOM 6127 HB1 ALA B 175 1.290 -16.151 12.833 1.00 0.06 H \nATOM 6128 HB2 ALA B 175 -0.415 -16.710 12.912 1.00 0.06 H \nATOM 6129 HB3 ALA B 175 0.765 -17.571 11.867 1.00 0.06 H \nATOM 6130 H ALA B 175 -1.349 -17.147 10.493 1.00 0.27 H \nATOM 6131 N THR B 176 1.709 -16.330 9.396 1.00 -0.42 N \nATOM 6132 CA THR B 176 2.938 -16.172 8.581 1.00 -0.04 C \nATOM 6133 C THR B 176 2.783 -15.045 7.562 1.00 0.60 C \nATOM 6134 O THR B 176 3.733 -14.323 7.268 1.00 -0.57 O \nATOM 6135 CB THR B 176 3.279 -17.476 7.834 1.00 0.37 C \nATOM 6136 OG1 THR B 176 3.284 -18.578 8.742 1.00 -0.68 O \nATOM 6137 CG2 THR B 176 4.644 -17.382 7.171 1.00 -0.24 C \nATOM 6138 HA THR B 176 3.770 -15.924 9.257 1.00 0.10 H \nATOM 6139 HB THR B 176 2.516 -17.649 7.060 1.00 0.00 H \nATOM 6140 HG1 THR B 176 3.495 -19.375 8.271 1.00 0.41 H \nATOM 6141 HG23 THR B 176 4.519 -17.131 6.107 1.00 0.06 H \nATOM 6142 HG21 THR B 176 5.239 -16.599 7.665 1.00 0.06 H \nATOM 6143 HG22 THR B 176 5.163 -18.348 7.261 1.00 0.06 H \nATOM 6144 H THR B 176 1.152 -17.154 9.295 1.00 0.27 H \nATOM 6145 N ALA B 177 1.584 -14.894 7.020 1.00 -0.42 N \nATOM 6146 CA ALA B 177 1.274 -13.773 6.126 1.00 0.03 C \nATOM 6147 C ALA B 177 1.522 -12.433 6.837 1.00 0.60 C \nATOM 6148 O ALA B 177 2.135 -11.551 6.285 1.00 -0.57 O \nATOM 6149 CB ALA B 177 -0.169 -13.856 5.671 1.00 -0.18 C \nATOM 6150 HA ALA B 177 1.929 -13.832 5.244 1.00 0.08 H \nATOM 6151 HB1 ALA B 177 -0.392 -13.012 5.002 1.00 0.06 H \nATOM 6152 HB2 ALA B 177 -0.330 -14.802 5.134 1.00 0.06 H \nATOM 6153 HB3 ALA B 177 -0.833 -13.814 6.547 1.00 0.06 H \nATOM 6154 H ALA B 177 0.870 -15.563 7.226 1.00 0.27 H \nATOM 6155 N ILE B 178 1.046 -12.321 8.078 1.00 -0.42 N \nATOM 6156 CA ILE B 178 1.275 -11.102 8.854 1.00 -0.06 C \nATOM 6157 C ILE B 178 2.770 -10.923 9.141 1.00 0.60 C \nATOM 6158 O ILE B 178 3.315 -9.828 8.958 1.00 -0.57 O \nATOM 6159 CB ILE B 178 0.484 -11.102 10.139 1.00 0.13 C \nATOM 6160 CG1 ILE B 178 -1.016 -11.080 9.820 1.00 -0.04 C \nATOM 6161 CG2 ILE B 178 0.858 -9.869 10.963 1.00 -0.32 C \nATOM 6162 CD1 ILE B 178 -1.893 -11.657 10.931 1.00 -0.07 C \nATOM 6163 HA ILE B 178 0.938 -10.247 8.249 1.00 0.09 H \nATOM 6164 HB ILE B 178 0.720 -12.010 10.714 1.00 0.02 H \nATOM 6165 HG12 ILE B 178 -1.318 -10.037 9.647 1.00 0.02 H \nATOM 6166 HG13 ILE B 178 -1.184 -11.667 8.905 1.00 0.02 H \nATOM 6167 HD11 ILE B 178 -1.740 -11.081 11.856 1.00 0.02 H \nATOM 6168 HD12 ILE B 178 -2.950 -11.597 10.632 1.00 0.02 H \nATOM 6169 HD13 ILE B 178 -1.620 -12.708 11.104 1.00 0.02 H \nATOM 6170 HG21 ILE B 178 0.636 -8.960 10.384 1.00 0.09 H \nATOM 6171 HG22 ILE B 178 0.275 -9.861 11.896 1.00 0.09 H \nATOM 6172 HG23 ILE B 178 1.931 -9.899 11.201 1.00 0.09 H \nATOM 6173 H ILE B 178 0.529 -13.076 8.481 1.00 0.27 H \nATOM 6174 N ALA B 179 3.434 -12.000 9.544 1.00 -0.42 N \nATOM 6175 CA ALA B 179 4.878 -11.972 9.737 1.00 0.03 C \nATOM 6176 C ALA B 179 5.620 -11.519 8.475 1.00 0.60 C \nATOM 6177 O ALA B 179 6.532 -10.712 8.545 1.00 -0.57 O \nATOM 6178 CB ALA B 179 5.371 -13.312 10.171 1.00 -0.18 C \nATOM 6179 HA ALA B 179 5.098 -11.249 10.536 1.00 0.08 H \nATOM 6180 HB1 ALA B 179 6.461 -13.274 10.312 1.00 0.06 H \nATOM 6181 HB2 ALA B 179 4.888 -13.591 11.119 1.00 0.06 H \nATOM 6182 HB3 ALA B 179 5.127 -14.059 9.402 1.00 0.06 H \nATOM 6183 H ALA B 179 2.933 -12.848 9.719 1.00 0.27 H \nATOM 6184 N HIS B 180 5.192 -12.011 7.322 1.00 -0.42 N \nATOM 6185 CA HIS B 180 5.793 -11.645 6.031 1.00 0.02 C \nATOM 6186 C HIS B 180 5.677 -10.139 5.778 1.00 0.60 C \nATOM 6187 O HIS B 180 6.643 -9.472 5.389 1.00 -0.57 O \nATOM 6188 CB HIS B 180 5.013 -12.405 4.944 1.00 -0.05 C \nATOM 6189 CG HIS B 180 5.569 -12.304 3.571 1.00 -0.03 C \nATOM 6190 ND1 HIS B 180 5.314 -13.268 2.614 1.00 -0.38 N \nATOM 6191 CD2 HIS B 180 6.345 -11.373 2.971 1.00 0.13 C \nATOM 6192 CE1 HIS B 180 5.886 -12.916 1.481 1.00 0.21 C \nATOM 6193 NE2 HIS B 180 6.550 -11.793 1.680 1.00 -0.57 N \nATOM 6194 HA HIS B 180 6.853 -11.938 6.015 1.00 0.09 H \nATOM 6195 HB2 HIS B 180 4.991 -13.469 5.224 1.00 0.04 H \nATOM 6196 HB3 HIS B 180 3.987 -12.010 4.924 1.00 0.04 H \nATOM 6197 HD2 HIS B 180 6.734 -10.463 3.426 1.00 0.11 H \nATOM 6198 HE1 HIS B 180 5.822 -13.460 0.540 1.00 0.14 H \nATOM 6199 HD1 HIS B 180 4.764 -14.126 2.763 1.00 0.36 H \nATOM 6200 H HIS B 180 4.429 -12.658 7.330 1.00 0.27 H \nATOM 6201 N VAL B 181 4.484 -9.600 5.982 1.00 -0.42 N \nATOM 6202 CA VAL B 181 4.269 -8.182 5.796 1.00 -0.09 C \nATOM 6203 C VAL B 181 5.154 -7.408 6.808 1.00 0.60 C \nATOM 6204 O VAL B 181 5.853 -6.471 6.436 1.00 -0.57 O \nATOM 6205 CB VAL B 181 2.751 -7.805 5.900 1.00 0.30 C \nATOM 6206 CG1 VAL B 181 2.556 -6.299 5.886 1.00 -0.32 C \nATOM 6207 CG2 VAL B 181 1.958 -8.380 4.743 1.00 -0.32 C \nATOM 6208 HA VAL B 181 4.603 -7.916 4.782 1.00 0.10 H \nATOM 6209 HB VAL B 181 2.357 -8.211 6.843 1.00 -0.03 H \nATOM 6210 HG11 VAL B 181 2.965 -5.885 4.953 1.00 0.08 H \nATOM 6211 HG12 VAL B 181 1.483 -6.068 5.950 1.00 0.08 H \nATOM 6212 HG13 VAL B 181 3.079 -5.854 6.745 1.00 0.08 H \nATOM 6213 HG21 VAL B 181 2.055 -9.476 4.741 1.00 0.08 H \nATOM 6214 HG22 VAL B 181 0.898 -8.106 4.853 1.00 0.08 H \nATOM 6215 HG23 VAL B 181 2.345 -7.976 3.796 1.00 0.08 H \nATOM 6216 H VAL B 181 3.722 -10.181 6.268 1.00 0.27 H \nATOM 6217 N CYS B 182 5.164 -7.850 8.067 1.00 -0.42 N \nATOM 6218 CA CYS B 182 5.968 -7.201 9.135 1.00 0.02 C \nATOM 6219 C CYS B 182 7.466 -7.205 8.844 1.00 0.60 C \nATOM 6220 O CYS B 182 8.173 -6.244 9.170 1.00 -0.57 O \nATOM 6221 CB CYS B 182 5.722 -7.876 10.484 1.00 -0.12 C \nATOM 6222 SG CYS B 182 4.162 -7.307 11.177 1.00 -0.31 S \nATOM 6223 HA CYS B 182 5.640 -6.153 9.207 1.00 0.11 H \nATOM 6224 HB2 CYS B 182 5.683 -8.966 10.345 1.00 0.11 H \nATOM 6225 HB3 CYS B 182 6.541 -7.623 11.173 1.00 0.11 H \nATOM 6226 HG CYS B 182 4.006 -7.756 12.066 1.00 0.19 H \nATOM 6227 H CYS B 182 4.609 -8.649 8.301 1.00 0.27 H \nATOM 6228 N HIS B 183 7.922 -8.289 8.213 1.00 -0.42 N \nATOM 6229 CA HIS B 183 9.316 -8.476 7.802 1.00 0.02 C \nATOM 6230 C HIS B 183 9.701 -7.401 6.791 1.00 0.60 C \nATOM 6231 O HIS B 183 10.756 -6.795 6.897 1.00 -0.57 O \nATOM 6232 CB HIS B 183 9.452 -9.824 7.133 1.00 -0.05 C \nATOM 6233 CG HIS B 183 10.806 -10.100 6.590 1.00 -0.03 C \nATOM 6234 ND1 HIS B 183 11.824 -10.612 7.363 1.00 -0.38 N \nATOM 6235 CD2 HIS B 183 11.303 -9.984 5.340 1.00 0.13 C \nATOM 6236 CE1 HIS B 183 12.896 -10.793 6.613 1.00 0.21 C \nATOM 6237 NE2 HIS B 183 12.610 -10.410 5.383 1.00 -0.57 N \nATOM 6238 HA HIS B 183 9.976 -8.420 8.680 1.00 0.09 H \nATOM 6239 HB2 HIS B 183 9.212 -10.602 7.873 1.00 0.04 H \nATOM 6240 HB3 HIS B 183 8.731 -9.872 6.303 1.00 0.04 H \nATOM 6241 HD2 HIS B 183 10.769 -9.621 4.463 1.00 0.11 H \nATOM 6242 HE1 HIS B 183 13.852 -11.190 6.952 1.00 0.14 H \nATOM 6243 HD1 HIS B 183 11.760 -10.821 8.369 1.00 0.36 H \nATOM 6244 H HIS B 183 7.271 -9.020 8.008 1.00 0.27 H \nATOM 6245 N ASN B 184 8.831 -7.188 5.815 1.00 -0.42 N \nATOM 6246 CA ASN B 184 9.057 -6.196 4.773 1.00 0.01 C \nATOM 6247 C ASN B 184 9.052 -4.754 5.270 1.00 0.60 C \nATOM 6248 O ASN B 184 9.604 -3.885 4.616 1.00 -0.57 O \nATOM 6249 CB ASN B 184 8.041 -6.377 3.643 1.00 -0.20 C \nATOM 6250 CG ASN B 184 8.337 -7.606 2.788 1.00 0.71 C \nATOM 6251 OD1 ASN B 184 8.866 -8.622 3.268 1.00 -0.59 O \nATOM 6252 ND2 ASN B 184 8.002 -7.521 1.517 1.00 -0.92 N \nATOM 6253 HA ASN B 184 10.057 -6.388 4.358 1.00 0.10 H \nATOM 6254 HB2 ASN B 184 7.039 -6.485 4.083 1.00 0.08 H \nATOM 6255 HB3 ASN B 184 8.065 -5.485 3.000 1.00 0.08 H \nATOM 6256 HD22 ASN B 184 8.170 -8.292 0.903 1.00 0.42 H \nATOM 6257 HD21 ASN B 184 7.580 -6.685 1.166 1.00 0.42 H \nATOM 6258 H ASN B 184 7.989 -7.727 5.793 1.00 0.27 H \nATOM 6259 N PHE B 185 8.415 -4.499 6.408 1.00 -0.42 N \nATOM 6260 CA PHE B 185 8.417 -3.182 7.013 1.00 -0.00 C \nATOM 6261 C PHE B 185 9.290 -3.040 8.277 1.00 0.60 C \nATOM 6262 O PHE B 185 9.283 -1.983 8.913 1.00 -0.57 O \nATOM 6263 CB PHE B 185 6.979 -2.768 7.275 1.00 -0.03 C \nATOM 6264 CG PHE B 185 6.234 -2.421 6.033 1.00 0.01 C \nATOM 6265 CD1 PHE B 185 6.475 -1.206 5.394 1.00 -0.13 C \nATOM 6266 CD2 PHE B 185 5.325 -3.301 5.477 1.00 -0.13 C \nATOM 6267 CE1 PHE B 185 5.789 -0.864 4.234 1.00 -0.17 C \nATOM 6268 CE2 PHE B 185 4.633 -2.970 4.320 1.00 -0.17 C \nATOM 6269 CZ PHE B 185 4.868 -1.755 3.692 1.00 -0.11 C \nATOM 6270 HA PHE B 185 8.834 -2.488 6.269 1.00 0.10 H \nATOM 6271 HB2 PHE B 185 6.460 -3.601 7.773 1.00 0.03 H \nATOM 6272 HB3 PHE B 185 6.983 -1.890 7.937 1.00 0.03 H \nATOM 6273 HD2 PHE B 185 5.150 -4.261 5.950 1.00 0.13 H \nATOM 6274 HE2 PHE B 185 3.908 -3.662 3.906 1.00 0.14 H \nATOM 6275 HZ PHE B 185 4.336 -1.501 2.782 1.00 0.13 H \nATOM 6276 HE1 PHE B 185 5.971 0.091 3.755 1.00 0.14 H \nATOM 6277 HD1 PHE B 185 7.206 -0.520 5.806 1.00 0.13 H \nATOM 6278 H PHE B 185 7.919 -5.239 6.861 1.00 0.27 H \nATOM 6279 N ASN B 186 10.074 -4.063 8.618 1.00 -0.42 N \nATOM 6280 CA ASN B 186 10.813 -4.092 9.894 1.00 0.01 C \nATOM 6281 C ASN B 186 9.983 -3.731 11.123 1.00 0.60 C \nATOM 6282 O ASN B 186 10.421 -2.910 11.941 1.00 -0.57 O \nATOM 6283 CB ASN B 186 12.037 -3.160 9.863 1.00 -0.20 C \nATOM 6284 CG ASN B 186 13.069 -3.587 8.852 1.00 0.71 C \nATOM 6285 OD1 ASN B 186 13.461 -4.742 8.810 1.00 -0.59 O \nATOM 6286 ND2 ASN B 186 13.519 -2.650 8.024 1.00 -0.92 N \nATOM 6287 HA ASN B 186 11.172 -5.123 10.029 1.00 0.10 H \nATOM 6288 HB2 ASN B 186 11.699 -2.144 9.613 1.00 0.08 H \nATOM 6289 HB3 ASN B 186 12.502 -3.157 10.860 1.00 0.08 H \nATOM 6290 HD22 ASN B 186 14.205 -2.880 7.334 1.00 0.42 H \nATOM 6291 HD21 ASN B 186 13.172 -1.715 8.091 1.00 0.42 H \nATOM 6292 H ASN B 186 10.164 -4.835 7.989 1.00 0.27 H \nATOM 6293 N VAL B 187 8.823 -4.365 11.272 1.00 -0.42 N \nATOM 6294 CA VAL B 187 7.976 -4.177 12.439 1.00 -0.09 C \nATOM 6295 C VAL B 187 8.009 -5.406 13.348 1.00 0.60 C \nATOM 6296 O VAL B 187 7.723 -6.524 12.890 1.00 -0.57 O \nATOM 6297 CB VAL B 187 6.527 -3.860 12.016 1.00 0.30 C \nATOM 6298 CG1 VAL B 187 5.562 -3.889 13.180 1.00 -0.32 C \nATOM 6299 CG2 VAL B 187 6.478 -2.495 11.377 1.00 -0.32 C \nATOM 6300 HA VAL B 187 8.364 -3.319 13.008 1.00 0.10 H \nATOM 6301 HB VAL B 187 6.208 -4.613 11.281 1.00 -0.03 H \nATOM 6302 HG11 VAL B 187 5.873 -3.149 13.932 1.00 0.08 H \nATOM 6303 HG12 VAL B 187 4.550 -3.647 12.823 1.00 0.08 H \nATOM 6304 HG13 VAL B 187 5.562 -4.892 13.631 1.00 0.08 H \nATOM 6305 HG21 VAL B 187 7.138 -2.478 10.497 1.00 0.08 H \nATOM 6306 HG22 VAL B 187 5.447 -2.273 11.066 1.00 0.08 H \nATOM 6307 HG23 VAL B 187 6.813 -1.739 12.102 1.00 0.08 H \nATOM 6308 H VAL B 187 8.522 -4.994 10.555 1.00 0.27 H \nATOM 6309 N PRO B 188 8.317 -5.212 14.647 1.00 -0.25 N \nATOM 6310 CA PRO B 188 8.360 -6.386 15.529 1.00 -0.03 C \nATOM 6311 C PRO B 188 7.017 -7.100 15.531 1.00 0.59 C \nATOM 6312 O PRO B 188 5.977 -6.439 15.518 1.00 -0.57 O \nATOM 6313 CB PRO B 188 8.684 -5.776 16.898 1.00 -0.01 C \nATOM 6314 CG PRO B 188 9.451 -4.539 16.569 1.00 0.02 C \nATOM 6315 CD PRO B 188 8.828 -4.001 15.323 1.00 0.02 C \nATOM 6316 HA PRO B 188 9.147 -7.088 15.217 1.00 0.06 H \nATOM 6317 HD3 PRO B 188 9.574 -3.487 14.700 1.00 0.04 H \nATOM 6318 HD2 PRO B 188 8.008 -3.307 15.560 1.00 0.04 H \nATOM 6319 HG3 PRO B 188 10.511 -4.778 16.396 1.00 0.02 H \nATOM 6320 HG2 PRO B 188 9.369 -3.807 17.386 1.00 0.02 H \nATOM 6321 HB2 PRO B 188 7.762 -5.531 17.445 1.00 0.03 H \nATOM 6322 HB3 PRO B 188 9.294 -6.466 17.499 1.00 0.03 H \nATOM 6323 N PHE B 189 7.040 -8.426 15.506 1.00 -0.42 N \nATOM 6324 CA PHE B 189 5.814 -9.228 15.404 1.00 -0.00 C \nATOM 6325 C PHE B 189 5.854 -10.423 16.355 1.00 0.60 C \nATOM 6326 O PHE B 189 6.927 -10.967 16.646 1.00 -0.57 O \nATOM 6327 CB PHE B 189 5.635 -9.699 13.951 1.00 -0.03 C \nATOM 6328 CG PHE B 189 4.510 -10.685 13.746 1.00 0.01 C \nATOM 6329 CD1 PHE B 189 3.185 -10.269 13.780 1.00 -0.13 C \nATOM 6330 CD2 PHE B 189 4.776 -12.045 13.527 1.00 -0.13 C \nATOM 6331 CE1 PHE B 189 2.153 -11.176 13.576 1.00 -0.17 C \nATOM 6332 CE2 PHE B 189 3.743 -12.956 13.303 1.00 -0.17 C \nATOM 6333 CZ PHE B 189 2.431 -12.519 13.315 1.00 -0.11 C \nATOM 6334 HA PHE B 189 4.957 -8.596 15.679 1.00 0.10 H \nATOM 6335 HB2 PHE B 189 5.436 -8.816 13.326 1.00 0.03 H \nATOM 6336 HB3 PHE B 189 6.572 -10.175 13.626 1.00 0.03 H \nATOM 6337 HD2 PHE B 189 5.802 -12.394 13.532 1.00 0.13 H \nATOM 6338 HE2 PHE B 189 3.968 -14.001 13.121 1.00 0.14 H \nATOM 6339 HZ PHE B 189 1.623 -13.215 13.123 1.00 0.13 H \nATOM 6340 HE1 PHE B 189 1.124 -10.838 13.620 1.00 0.14 H \nATOM 6341 HD1 PHE B 189 2.954 -9.227 13.968 1.00 0.13 H \nATOM 6342 H PHE B 189 7.922 -8.895 15.558 1.00 0.27 H \nATOM 6343 N VAL B 190 4.686 -10.854 16.815 1.00 -0.42 N \nATOM 6344 CA VAL B 190 4.584 -12.055 17.607 1.00 -0.09 C \nATOM 6345 C VAL B 190 3.164 -12.577 17.499 1.00 0.60 C \nATOM 6346 O VAL B 190 2.204 -11.801 17.271 1.00 -0.57 O \nATOM 6347 CB VAL B 190 4.952 -11.837 19.097 1.00 0.30 C \nATOM 6348 CG1 VAL B 190 3.851 -11.093 19.836 1.00 -0.32 C \nATOM 6349 CG2 VAL B 190 5.244 -13.165 19.785 1.00 -0.32 C \nATOM 6350 HA VAL B 190 5.274 -12.804 17.191 1.00 0.10 H \nATOM 6351 HB VAL B 190 5.864 -11.223 19.135 1.00 -0.03 H \nATOM 6352 HG11 VAL B 190 2.916 -11.670 19.779 1.00 0.08 H \nATOM 6353 HG12 VAL B 190 4.139 -10.964 20.890 1.00 0.08 H \nATOM 6354 HG13 VAL B 190 3.701 -10.106 19.374 1.00 0.08 H \nATOM 6355 HG21 VAL B 190 6.080 -13.666 19.275 1.00 0.08 H \nATOM 6356 HG22 VAL B 190 5.512 -12.982 20.836 1.00 0.08 H \nATOM 6357 HG23 VAL B 190 4.351 -13.805 19.740 1.00 0.08 H \nATOM 6358 H VAL B 190 3.857 -10.334 16.608 1.00 0.27 H \nATOM 6359 N VAL B 191 3.046 -13.886 17.602 1.00 -0.42 N \nATOM 6360 CA VAL B 191 1.761 -14.568 17.568 1.00 -0.09 C \nATOM 6361 C VAL B 191 1.482 -15.026 18.981 1.00 0.60 C \nATOM 6362 O VAL B 191 2.305 -15.721 19.577 1.00 -0.57 O \nATOM 6363 CB VAL B 191 1.764 -15.846 16.674 1.00 0.30 C \nATOM 6364 CG1 VAL B 191 0.396 -16.499 16.672 1.00 -0.32 C \nATOM 6365 CG2 VAL B 191 2.174 -15.548 15.242 1.00 -0.32 C \nATOM 6366 HA VAL B 191 0.983 -13.874 17.217 1.00 0.10 H \nATOM 6367 HB VAL B 191 2.490 -16.555 17.099 1.00 -0.03 H \nATOM 6368 HG11 VAL B 191 -0.350 -15.787 16.288 1.00 0.08 H \nATOM 6369 HG12 VAL B 191 0.416 -17.391 16.029 1.00 0.08 H \nATOM 6370 HG13 VAL B 191 0.128 -16.793 17.698 1.00 0.08 H \nATOM 6371 HG21 VAL B 191 3.185 -15.114 15.233 1.00 0.08 H \nATOM 6372 HG22 VAL B 191 2.170 -16.480 14.658 1.00 0.08 H \nATOM 6373 HG23 VAL B 191 1.464 -14.834 14.798 1.00 0.08 H \nATOM 6374 H VAL B 191 3.876 -14.434 17.708 1.00 0.27 H \nATOM 6375 N VAL B 192 0.312 -14.662 19.491 1.00 -0.42 N \nATOM 6376 CA VAL B 192 -0.191 -15.194 20.759 1.00 -0.09 C \nATOM 6377 C VAL B 192 -1.627 -15.707 20.519 1.00 0.60 C \nATOM 6378 O VAL B 192 -2.555 -14.919 20.505 1.00 -0.57 O \nATOM 6379 CB VAL B 192 -0.191 -14.099 21.848 1.00 0.30 C \nATOM 6380 CG1 VAL B 192 -0.684 -14.664 23.176 1.00 -0.32 C \nATOM 6381 CG2 VAL B 192 1.205 -13.511 22.035 1.00 -0.32 C \nATOM 6382 HA VAL B 192 0.448 -16.027 21.087 1.00 0.10 H \nATOM 6383 HB VAL B 192 -0.872 -13.295 21.532 1.00 -0.03 H \nATOM 6384 HG11 VAL B 192 -0.029 -15.490 23.489 1.00 0.08 H \nATOM 6385 HG12 VAL B 192 -0.667 -13.873 23.940 1.00 0.08 H \nATOM 6386 HG13 VAL B 192 -1.712 -15.037 23.057 1.00 0.08 H \nATOM 6387 HG21 VAL B 192 1.549 -13.075 21.086 1.00 0.08 H \nATOM 6388 HG22 VAL B 192 1.173 -12.729 22.807 1.00 0.08 H \nATOM 6389 HG23 VAL B 192 1.899 -14.306 22.347 1.00 0.08 H \nATOM 6390 H VAL B 192 -0.246 -14.000 18.991 1.00 0.27 H \nATOM 6391 N ARG B 193 -1.794 -17.009 20.313 1.00 -0.35 N \nATOM 6392 CA ARG B 193 -3.108 -17.621 20.060 1.00 -0.26 C \nATOM 6393 C ARG B 193 -3.442 -18.662 21.125 1.00 0.73 C \nATOM 6394 O ARG B 193 -2.606 -18.976 21.990 1.00 -0.59 O \nATOM 6395 CB ARG B 193 -3.179 -18.236 18.661 1.00 -0.00 C \nATOM 6396 CG ARG B 193 -3.123 -17.177 17.563 1.00 0.04 C \nATOM 6397 CD ARG B 193 -2.765 -17.801 16.253 1.00 0.05 C \nATOM 6398 NE ARG B 193 -2.940 -16.922 15.101 1.00 -0.53 N \nATOM 6399 CZ ARG B 193 -4.048 -16.808 14.361 1.00 0.81 C \nATOM 6400 NH1 ARG B 193 -5.163 -17.474 14.651 1.00 -0.86 N \nATOM 6401 NH2 ARG B 193 -4.040 -15.989 13.301 1.00 -0.86 N \nATOM 6402 HA ARG B 193 -3.865 -16.825 20.116 1.00 0.16 H \nATOM 6403 HB2 ARG B 193 -2.331 -18.924 18.533 1.00 0.03 H \nATOM 6404 HB3 ARG B 193 -4.122 -18.795 18.567 1.00 0.03 H \nATOM 6405 HG2 ARG B 193 -4.107 -16.692 17.477 1.00 0.03 H \nATOM 6406 HG3 ARG B 193 -2.365 -16.424 17.824 1.00 0.03 H \nATOM 6407 HD2 ARG B 193 -1.710 -18.108 16.295 1.00 0.07 H \nATOM 6408 HD3 ARG B 193 -3.400 -18.688 16.109 1.00 0.07 H \nATOM 6409 HE ARG B 193 -2.136 -16.336 14.834 1.00 0.35 H \nATOM 6410 HH12 ARG B 193 -5.998 -17.362 14.059 1.00 0.45 H \nATOM 6411 HH11 ARG B 193 -5.191 -18.101 15.468 1.00 0.45 H \nATOM 6412 HH22 ARG B 193 -4.885 -15.890 12.721 1.00 0.45 H \nATOM 6413 HH21 ARG B 193 -3.189 -15.459 13.066 1.00 0.45 H \nATOM 6414 H ARG B 193 -0.988 -17.601 20.331 1.00 0.27 H \nATOM 6415 N ALA B 194 -4.676 -19.154 21.085 1.00 -0.42 N \nATOM 6416 CA ALA B 194 -5.123 -20.175 22.029 1.00 0.03 C \nATOM 6417 C ALA B 194 -5.783 -21.295 21.259 1.00 0.60 C \nATOM 6418 O ALA B 194 -6.414 -21.048 20.260 1.00 -0.57 O \nATOM 6419 CB ALA B 194 -6.068 -19.559 23.036 1.00 -0.18 C \nATOM 6420 HA ALA B 194 -4.252 -20.579 22.565 1.00 0.08 H \nATOM 6421 HB1 ALA B 194 -6.402 -20.331 23.745 1.00 0.06 H \nATOM 6422 HB2 ALA B 194 -5.549 -18.758 23.583 1.00 0.06 H \nATOM 6423 HB3 ALA B 194 -6.940 -19.140 22.512 1.00 0.06 H \nATOM 6424 H ALA B 194 -5.314 -18.817 20.392 1.00 0.27 H \nATOM 6425 N ILE B 195 -5.669 -22.520 21.764 1.00 -0.42 N \nATOM 6426 CA ILE B 195 -6.044 -23.727 21.029 1.00 -0.06 C \nATOM 6427 C ILE B 195 -7.562 -23.900 21.054 1.00 0.60 C \nATOM 6428 O ILE B 195 -8.165 -23.913 22.126 1.00 -0.57 O \nATOM 6429 CB ILE B 195 -5.312 -24.961 21.644 1.00 0.13 C \nATOM 6430 CG1 ILE B 195 -3.779 -24.775 21.626 1.00 -0.04 C \nATOM 6431 CG2 ILE B 195 -5.681 -26.277 20.975 1.00 -0.32 C \nATOM 6432 CD1 ILE B 195 -3.210 -24.363 20.284 1.00 -0.07 C \nATOM 6433 HA ILE B 195 -5.724 -23.619 19.982 1.00 0.09 H \nATOM 6434 HB ILE B 195 -5.627 -25.030 22.696 1.00 0.02 H \nATOM 6435 HG12 ILE B 195 -3.519 -24.000 22.362 1.00 0.02 H \nATOM 6436 HG13 ILE B 195 -3.314 -25.728 21.918 1.00 0.02 H \nATOM 6437 HD11 ILE B 195 -3.659 -23.408 19.973 1.00 0.02 H \nATOM 6438 HD12 ILE B 195 -2.120 -24.245 20.369 1.00 0.02 H \nATOM 6439 HD13 ILE B 195 -3.438 -25.137 19.536 1.00 0.02 H \nATOM 6440 HG21 ILE B 195 -5.425 -26.229 19.906 1.00 0.09 H \nATOM 6441 HG22 ILE B 195 -5.124 -27.098 21.449 1.00 0.09 H \nATOM 6442 HG23 ILE B 195 -6.761 -26.455 21.086 1.00 0.09 H \nATOM 6443 H ILE B 195 -5.309 -22.620 22.692 1.00 0.27 H \nATOM 6444 N SER B 196 -8.164 -24.019 19.864 1.00 -0.42 N \nATOM 6445 CA SER B 196 -9.596 -24.318 19.679 1.00 -0.02 C \nATOM 6446 C SER B 196 -9.869 -25.766 19.310 1.00 0.60 C \nATOM 6447 O SER B 196 -11.029 -26.221 19.363 1.00 -0.57 O \nATOM 6448 CB SER B 196 -10.216 -23.436 18.557 1.00 0.21 C \nATOM 6449 OG SER B 196 -9.450 -23.525 17.367 1.00 -0.65 O \nATOM 6450 HA SER B 196 -10.107 -24.099 20.628 1.00 0.08 H \nATOM 6451 HB2 SER B 196 -11.241 -23.779 18.353 1.00 0.04 H \nATOM 6452 HB3 SER B 196 -10.240 -22.389 18.893 1.00 0.04 H \nATOM 6453 HG SER B 196 -9.844 -22.981 16.695 1.00 0.43 H \nATOM 6454 H SER B 196 -7.604 -23.897 19.045 1.00 0.27 H \nATOM 6455 N ASP B 197 -8.832 -26.474 18.875 1.00 -0.52 N \nATOM 6456 CA ASP B 197 -8.964 -27.833 18.345 1.00 0.04 C \nATOM 6457 C ASP B 197 -7.538 -28.421 18.167 1.00 0.54 C \nATOM 6458 O ASP B 197 -6.566 -27.685 18.245 1.00 -0.58 O \nATOM 6459 CB ASP B 197 -9.730 -27.818 17.007 1.00 -0.03 C \nATOM 6460 CG ASP B 197 -9.030 -26.978 15.928 1.00 0.80 C \nATOM 6461 OD1 ASP B 197 -8.148 -27.531 15.239 1.00 -0.80 O \nATOM 6462 OD2 ASP B 197 -9.362 -25.773 15.787 1.00 -0.80 O \nATOM 6463 HA ASP B 197 -9.522 -28.451 19.064 1.00 0.09 H \nATOM 6464 HB2 ASP B 197 -9.821 -28.852 16.643 1.00 -0.01 H \nATOM 6465 HB3 ASP B 197 -10.733 -27.401 17.181 1.00 -0.01 H \nATOM 6466 H ASP B 197 -7.922 -26.061 18.911 1.00 0.29 H \nATOM 6467 N VAL B 198 -7.437 -29.724 17.885 1.00 -0.42 N \nATOM 6468 CA VAL B 198 -6.136 -30.359 17.648 1.00 -0.09 C \nATOM 6469 C VAL B 198 -5.957 -30.817 16.201 1.00 0.60 C \nATOM 6470 O VAL B 198 -5.171 -31.698 15.912 1.00 -0.57 O \nATOM 6471 CB VAL B 198 -5.868 -31.489 18.667 1.00 0.30 C \nATOM 6472 CG1 VAL B 198 -5.759 -30.895 20.051 1.00 -0.32 C \nATOM 6473 CG2 VAL B 198 -6.986 -32.528 18.664 1.00 -0.32 C \nATOM 6474 HA VAL B 198 -5.372 -29.587 17.825 1.00 0.10 H \nATOM 6475 HB VAL B 198 -4.921 -31.984 18.407 1.00 -0.03 H \nATOM 6476 HG11 VAL B 198 -6.695 -30.375 20.302 1.00 0.08 H \nATOM 6477 HG12 VAL B 198 -5.578 -31.698 20.781 1.00 0.08 H \nATOM 6478 HG13 VAL B 198 -4.924 -30.180 20.078 1.00 0.08 H \nATOM 6479 HG21 VAL B 198 -7.074 -32.969 17.660 1.00 0.08 H \nATOM 6480 HG22 VAL B 198 -6.754 -33.319 19.393 1.00 0.08 H \nATOM 6481 HG23 VAL B 198 -7.936 -32.045 18.937 1.00 0.08 H \nATOM 6482 H VAL B 198 -8.268 -30.279 17.834 1.00 0.27 H \nATOM 6483 N ALA B 199 -6.659 -30.170 15.272 1.00 -0.42 N \nATOM 6484 CA ALA B 199 -6.390 -30.312 13.839 1.00 0.03 C \nATOM 6485 C ALA B 199 -6.573 -31.740 13.267 1.00 0.60 C \nATOM 6486 O ALA B 199 -6.072 -32.063 12.175 1.00 -0.57 O \nATOM 6487 CB ALA B 199 -5.018 -29.745 13.507 1.00 -0.18 C \nATOM 6488 HA ALA B 199 -7.131 -29.683 13.323 1.00 0.08 H \nATOM 6489 HB1 ALA B 199 -4.826 -29.856 12.430 1.00 0.06 H \nATOM 6490 HB2 ALA B 199 -4.987 -28.679 13.777 1.00 0.06 H \nATOM 6491 HB3 ALA B 199 -4.249 -30.289 14.075 1.00 0.06 H \nATOM 6492 H ALA B 199 -7.399 -29.564 15.564 1.00 0.27 H \nATOM 6493 N ASP B 200 -7.321 -32.572 13.992 1.00 -0.52 N \nATOM 6494 CA ASP B 200 -7.553 -33.950 13.611 1.00 0.04 C \nATOM 6495 C ASP B 200 -8.933 -34.095 12.921 1.00 0.54 C \nATOM 6496 O ASP B 200 -9.532 -33.092 12.509 1.00 -0.58 O \nATOM 6497 CB ASP B 200 -7.382 -34.868 14.855 1.00 -0.03 C \nATOM 6498 CG ASP B 200 -8.518 -34.746 15.899 1.00 0.80 C \nATOM 6499 OD1 ASP B 200 -9.473 -33.898 15.795 1.00 -0.80 O \nATOM 6500 OD2 ASP B 200 -8.419 -35.550 16.865 1.00 -0.80 O \nATOM 6501 HA ASP B 200 -6.786 -34.238 12.877 1.00 0.09 H \nATOM 6502 HB2 ASP B 200 -7.342 -35.912 14.510 1.00 -0.01 H \nATOM 6503 HB3 ASP B 200 -6.433 -34.608 15.347 1.00 -0.01 H \nATOM 6504 H ASP B 200 -7.739 -32.231 14.834 1.00 0.29 H \nATOM 6505 N GLN B 201 -9.443 -35.324 12.840 1.00 -0.42 N \nATOM 6506 CA GLN B 201 -10.675 -35.634 12.086 1.00 -0.00 C \nATOM 6507 C GLN B 201 -11.937 -34.962 12.632 1.00 0.60 C \nATOM 6508 O GLN B 201 -12.929 -34.848 11.935 1.00 -0.57 O \nATOM 6509 CB GLN B 201 -10.882 -37.159 12.002 1.00 -0.00 C \nATOM 6510 CG GLN B 201 -9.909 -37.833 11.028 1.00 -0.06 C \nATOM 6511 CD GLN B 201 -10.576 -38.834 10.070 1.00 0.70 C \nATOM 6512 OE1 GLN B 201 -10.389 -38.772 8.835 1.00 -0.61 O \nATOM 6513 NE2 GLN B 201 -11.364 -39.754 10.632 1.00 -0.94 N \nATOM 6514 HA GLN B 201 -10.528 -35.258 11.063 1.00 0.09 H \nATOM 6515 HB2 GLN B 201 -10.734 -37.590 13.003 1.00 0.02 H \nATOM 6516 HB3 GLN B 201 -11.911 -37.357 11.666 1.00 0.02 H \nATOM 6517 HG2 GLN B 201 -9.423 -37.050 10.427 1.00 0.04 H \nATOM 6518 HG3 GLN B 201 -9.149 -38.370 11.614 1.00 0.04 H \nATOM 6519 HE22 GLN B 201 -11.826 -40.433 10.061 1.00 0.43 H \nATOM 6520 HE21 GLN B 201 -11.492 -39.764 11.624 1.00 0.43 H \nATOM 6521 H GLN B 201 -8.971 -36.069 13.311 1.00 0.27 H \nATOM 6522 N GLN B 202 -11.883 -34.525 13.875 1.00 -0.42 N \nATOM 6523 CA GLN B 202 -13.003 -33.886 14.526 1.00 -0.00 C \nATOM 6524 C GLN B 202 -12.736 -32.412 14.832 1.00 0.60 C \nATOM 6525 O GLN B 202 -13.471 -31.784 15.594 1.00 -0.57 O \nATOM 6526 CB GLN B 202 -13.281 -34.647 15.819 1.00 -0.00 C \nATOM 6527 CG GLN B 202 -13.519 -36.121 15.560 1.00 -0.06 C \nATOM 6528 CD GLN B 202 -14.957 -36.409 15.181 1.00 0.70 C \nATOM 6529 OE1 GLN B 202 -15.359 -36.236 14.026 1.00 -0.61 O \nATOM 6530 NE2 GLN B 202 -15.754 -36.842 16.166 1.00 -0.94 N \nATOM 6531 HA GLN B 202 -13.882 -33.951 13.868 1.00 0.09 H \nATOM 6532 HB2 GLN B 202 -12.416 -34.538 16.490 1.00 0.02 H \nATOM 6533 HB3 GLN B 202 -14.174 -34.220 16.299 1.00 0.02 H \nATOM 6534 HG2 GLN B 202 -12.864 -36.447 14.739 1.00 0.04 H \nATOM 6535 HG3 GLN B 202 -13.273 -36.685 16.471 1.00 0.04 H \nATOM 6536 HE22 GLN B 202 -16.714 -37.049 15.978 1.00 0.43 H \nATOM 6537 HE21 GLN B 202 -15.389 -36.958 17.090 1.00 0.43 H \nATOM 6538 H GLN B 202 -11.032 -34.641 14.388 1.00 0.27 H \nATOM 6539 N SER B 203 -11.690 -31.853 14.227 1.00 -0.42 N \nATOM 6540 CA SER B 203 -11.317 -30.472 14.481 1.00 -0.02 C \nATOM 6541 C SER B 203 -12.471 -29.490 14.188 1.00 0.60 C \nATOM 6542 O SER B 203 -12.542 -28.463 14.832 1.00 -0.57 O \nATOM 6543 CB SER B 203 -10.066 -30.088 13.697 1.00 0.21 C \nATOM 6544 OG SER B 203 -10.309 -30.054 12.287 1.00 -0.65 O \nATOM 6545 HA SER B 203 -11.078 -30.389 15.551 1.00 0.08 H \nATOM 6546 HB2 SER B 203 -9.733 -29.092 14.025 1.00 0.04 H \nATOM 6547 HB3 SER B 203 -9.276 -30.825 13.904 1.00 0.04 H \nATOM 6548 HG SER B 203 -9.510 -29.812 11.834 1.00 0.43 H \nATOM 6549 H SER B 203 -11.149 -32.395 13.584 1.00 0.27 H \nATOM 6550 N HIS B 204 -13.332 -29.787 13.214 1.00 -0.42 N \nATOM 6551 CA HIS B 204 -14.490 -28.912 12.896 1.00 0.02 C \nATOM 6552 C HIS B 204 -15.537 -28.887 14.026 1.00 0.60 C \nATOM 6553 O HIS B 204 -16.109 -27.830 14.362 1.00 -0.57 O \nATOM 6554 CB HIS B 204 -15.105 -29.280 11.529 1.00 -0.05 C \nATOM 6555 CG HIS B 204 -15.601 -30.689 11.425 1.00 -0.03 C \nATOM 6556 ND1 HIS B 204 -14.810 -31.788 11.693 1.00 -0.38 N \nATOM 6557 CD2 HIS B 204 -16.819 -31.178 11.084 1.00 0.13 C \nATOM 6558 CE1 HIS B 204 -15.523 -32.889 11.541 1.00 0.21 C \nATOM 6559 NE2 HIS B 204 -16.750 -32.550 11.180 1.00 -0.57 N \nATOM 6560 HA HIS B 204 -14.101 -27.887 12.806 1.00 0.09 H \nATOM 6561 HB2 HIS B 204 -15.952 -28.604 11.341 1.00 0.04 H \nATOM 6562 HB3 HIS B 204 -14.337 -29.129 10.756 1.00 0.04 H \nATOM 6563 HD2 HIS B 204 -17.690 -30.594 10.789 1.00 0.11 H \nATOM 6564 HE1 HIS B 204 -15.162 -33.906 11.688 1.00 0.14 H \nATOM 6565 HD1 HIS B 204 -13.818 -31.754 11.969 1.00 0.36 H \nATOM 6566 H HIS B 204 -13.194 -30.623 12.682 1.00 0.27 H \nATOM 6567 N LEU B 205 -15.754 -30.039 14.649 1.00 -0.42 N \nATOM 6568 CA LEU B 205 -16.620 -30.135 15.823 1.00 -0.05 C \nATOM 6569 C LEU B 205 -16.029 -29.419 17.055 1.00 0.60 C \nATOM 6570 O LEU B 205 -16.701 -28.654 17.751 1.00 -0.57 O \nATOM 6571 CB LEU B 205 -16.842 -31.610 16.159 1.00 -0.11 C \nATOM 6572 CG LEU B 205 -17.411 -32.487 15.026 1.00 0.35 C \nATOM 6573 CD1 LEU B 205 -17.653 -33.894 15.567 1.00 -0.41 C \nATOM 6574 CD2 LEU B 205 -18.706 -31.952 14.427 1.00 -0.41 C \nATOM 6575 HA LEU B 205 -17.587 -29.670 15.581 1.00 0.09 H \nATOM 6576 HB2 LEU B 205 -15.873 -32.036 16.459 1.00 0.05 H \nATOM 6577 HB3 LEU B 205 -17.542 -31.660 17.006 1.00 0.05 H \nATOM 6578 HG LEU B 205 -16.660 -32.536 14.223 1.00 -0.04 H \nATOM 6579 HD21 LEU B 205 -18.532 -30.946 14.017 1.00 0.10 H \nATOM 6580 HD22 LEU B 205 -19.042 -32.623 13.623 1.00 0.10 H \nATOM 6581 HD23 LEU B 205 -19.478 -31.901 15.209 1.00 0.10 H \nATOM 6582 HD11 LEU B 205 -18.363 -33.847 16.406 1.00 0.10 H \nATOM 6583 HD12 LEU B 205 -18.069 -34.527 14.769 1.00 0.10 H \nATOM 6584 HD13 LEU B 205 -16.701 -34.322 15.915 1.00 0.10 H \nATOM 6585 H LEU B 205 -15.311 -30.867 14.305 1.00 0.27 H \nATOM 6586 N SER B 206 -14.767 -29.686 17.326 1.00 -0.42 N \nATOM 6587 CA SER B 206 -14.088 -29.025 18.415 1.00 -0.02 C \nATOM 6588 C SER B 206 -14.107 -27.489 18.226 1.00 0.60 C \nATOM 6589 O SER B 206 -14.434 -26.766 19.148 1.00 -0.57 O \nATOM 6590 CB SER B 206 -12.674 -29.556 18.526 1.00 0.21 C \nATOM 6591 OG SER B 206 -11.980 -28.907 19.577 1.00 -0.65 O \nATOM 6592 HA SER B 206 -14.619 -29.259 19.349 1.00 0.08 H \nATOM 6593 HB2 SER B 206 -12.708 -30.637 18.728 1.00 0.04 H \nATOM 6594 HB3 SER B 206 -12.145 -29.377 17.578 1.00 0.04 H \nATOM 6595 HG SER B 206 -11.096 -29.251 19.633 1.00 0.43 H \nATOM 6596 H SER B 206 -14.274 -30.355 16.770 1.00 0.27 H \nATOM 6597 N PHE B 207 -13.787 -27.007 17.022 1.00 -0.42 N \nATOM 6598 CA PHE B 207 -13.751 -25.564 16.727 1.00 -0.00 C \nATOM 6599 C PHE B 207 -15.108 -24.930 16.955 1.00 0.60 C \nATOM 6600 O PHE B 207 -15.204 -23.885 17.575 1.00 -0.57 O \nATOM 6601 CB PHE B 207 -13.337 -25.335 15.275 1.00 -0.03 C \nATOM 6602 CG PHE B 207 -13.171 -23.880 14.880 1.00 0.01 C \nATOM 6603 CD1 PHE B 207 -14.201 -23.184 14.225 1.00 -0.13 C \nATOM 6604 CD2 PHE B 207 -11.978 -23.229 15.103 1.00 -0.13 C \nATOM 6605 CE1 PHE B 207 -14.041 -21.859 13.852 1.00 -0.17 C \nATOM 6606 CE2 PHE B 207 -11.799 -21.911 14.720 1.00 -0.17 C \nATOM 6607 CZ PHE B 207 -12.815 -21.212 14.089 1.00 -0.11 C \nATOM 6608 HA PHE B 207 -13.016 -25.086 17.392 1.00 0.10 H \nATOM 6609 HB2 PHE B 207 -12.377 -25.846 15.109 1.00 0.03 H \nATOM 6610 HB3 PHE B 207 -14.106 -25.780 14.626 1.00 0.03 H \nATOM 6611 HD2 PHE B 207 -11.165 -23.758 15.587 1.00 0.13 H \nATOM 6612 HE2 PHE B 207 -10.853 -21.420 14.916 1.00 0.14 H \nATOM 6613 HZ PHE B 207 -12.667 -20.183 13.783 1.00 0.13 H \nATOM 6614 HE1 PHE B 207 -14.857 -21.324 13.380 1.00 0.14 H \nATOM 6615 HD1 PHE B 207 -15.134 -23.691 14.008 1.00 0.13 H \nATOM 6616 H PHE B 207 -13.563 -27.652 16.291 1.00 0.27 H \nATOM 6617 N ASP B 208 -16.151 -25.563 16.433 1.00 -0.52 N \nATOM 6618 CA ASP B 208 -17.512 -25.097 16.666 1.00 0.04 C \nATOM 6619 C ASP B 208 -17.951 -25.068 18.124 1.00 0.54 C \nATOM 6620 O ASP B 208 -18.838 -24.304 18.473 1.00 -0.58 O \nATOM 6621 CB ASP B 208 -18.496 -25.902 15.815 1.00 -0.03 C \nATOM 6622 CG ASP B 208 -18.619 -25.348 14.422 1.00 0.80 C \nATOM 6623 OD1 ASP B 208 -18.116 -24.244 14.202 1.00 -0.80 O \nATOM 6624 OD2 ASP B 208 -19.212 -25.995 13.538 1.00 -0.80 O \nATOM 6625 HA ASP B 208 -17.549 -24.056 16.312 1.00 0.09 H \nATOM 6626 HB2 ASP B 208 -18.144 -26.942 15.754 1.00 -0.01 H \nATOM 6627 HB3 ASP B 208 -19.485 -25.877 16.296 1.00 -0.01 H \nATOM 6628 H ASP B 208 -16.000 -26.375 15.869 1.00 0.29 H \nATOM 6629 N GLU B 209 -17.358 -25.900 18.971 1.00 -0.52 N \nATOM 6630 CA GLU B 209 -17.630 -25.864 20.406 1.00 0.04 C \nATOM 6631 C GLU B 209 -16.689 -24.932 21.191 1.00 0.54 C \nATOM 6632 O GLU B 209 -17.146 -24.228 22.102 1.00 -0.58 O \nATOM 6633 CB GLU B 209 -17.557 -27.277 20.994 1.00 0.06 C \nATOM 6634 CG GLU B 209 -17.681 -27.294 22.515 1.00 0.01 C \nATOM 6635 CD GLU B 209 -17.865 -28.677 23.096 1.00 0.81 C \nATOM 6636 OE1 GLU B 209 -17.631 -29.661 22.355 1.00 -0.82 O \nATOM 6637 OE2 GLU B 209 -18.248 -28.772 24.285 1.00 -0.82 O \nATOM 6638 HA GLU B 209 -18.655 -25.488 20.538 1.00 0.11 H \nATOM 6639 HB2 GLU B 209 -18.375 -27.877 20.568 1.00 -0.02 H \nATOM 6640 HB3 GLU B 209 -16.591 -27.724 20.716 1.00 -0.02 H \nATOM 6641 HG2 GLU B 209 -16.767 -26.857 22.943 1.00 -0.04 H \nATOM 6642 HG3 GLU B 209 -18.548 -26.680 22.799 1.00 -0.04 H \nATOM 6643 H GLU B 209 -16.706 -26.571 18.617 1.00 0.29 H \nATOM 6644 N PHE B 210 -15.396 -24.897 20.856 1.00 -0.42 N \nATOM 6645 CA PHE B 210 -14.391 -24.205 21.709 1.00 -0.00 C \nATOM 6646 C PHE B 210 -13.749 -22.917 21.179 1.00 0.60 C \nATOM 6647 O PHE B 210 -12.898 -22.343 21.856 1.00 -0.57 O \nATOM 6648 CB PHE B 210 -13.281 -25.197 22.121 1.00 -0.03 C \nATOM 6649 CG PHE B 210 -13.798 -26.366 22.912 1.00 0.01 C \nATOM 6650 CD1 PHE B 210 -14.266 -26.181 24.186 1.00 -0.13 C \nATOM 6651 CD2 PHE B 210 -13.833 -27.635 22.379 1.00 -0.13 C \nATOM 6652 CE1 PHE B 210 -14.763 -27.241 24.929 1.00 -0.17 C \nATOM 6653 CE2 PHE B 210 -14.303 -28.711 23.121 1.00 -0.17 C \nATOM 6654 CZ PHE B 210 -14.774 -28.511 24.397 1.00 -0.11 C \nATOM 6655 HA PHE B 210 -14.929 -23.915 22.624 1.00 0.10 H \nATOM 6656 HB2 PHE B 210 -12.796 -25.578 21.210 1.00 0.03 H \nATOM 6657 HB3 PHE B 210 -12.541 -24.660 22.733 1.00 0.03 H \nATOM 6658 HD2 PHE B 210 -13.488 -27.797 21.364 1.00 0.13 H \nATOM 6659 HE2 PHE B 210 -14.298 -29.708 22.694 1.00 0.14 H \nATOM 6660 HZ PHE B 210 -15.150 -29.345 24.979 1.00 0.13 H \nATOM 6661 HE1 PHE B 210 -15.143 -27.070 25.930 1.00 0.14 H \nATOM 6662 HD1 PHE B 210 -14.247 -25.188 24.621 1.00 0.13 H \nATOM 6663 H PHE B 210 -15.097 -25.345 20.014 1.00 0.27 H \nATOM 6664 N LEU B 211 -14.144 -22.432 20.002 1.00 -0.42 N \nATOM 6665 CA LEU B 211 -13.649 -21.122 19.565 1.00 -0.05 C \nATOM 6666 C LEU B 211 -13.800 -20.068 20.692 1.00 0.60 C \nATOM 6667 O LEU B 211 -12.891 -19.258 20.937 1.00 -0.57 O \nATOM 6668 CB LEU B 211 -14.401 -20.661 18.317 1.00 -0.11 C \nATOM 6669 CG LEU B 211 -14.097 -19.281 17.758 1.00 0.35 C \nATOM 6670 CD1 LEU B 211 -12.625 -19.113 17.437 1.00 -0.41 C \nATOM 6671 CD2 LEU B 211 -14.936 -19.014 16.530 1.00 -0.41 C \nATOM 6672 HA LEU B 211 -12.582 -21.218 19.317 1.00 0.09 H \nATOM 6673 HB2 LEU B 211 -14.186 -21.389 17.521 1.00 0.05 H \nATOM 6674 HB3 LEU B 211 -15.474 -20.685 18.557 1.00 0.05 H \nATOM 6675 HG LEU B 211 -14.363 -18.539 18.525 1.00 -0.04 H \nATOM 6676 HD21 LEU B 211 -16.002 -19.076 16.794 1.00 0.10 H \nATOM 6677 HD22 LEU B 211 -14.712 -18.009 16.144 1.00 0.10 H \nATOM 6678 HD23 LEU B 211 -14.705 -19.763 15.758 1.00 0.10 H \nATOM 6679 HD11 LEU B 211 -12.323 -19.868 16.696 1.00 0.10 H \nATOM 6680 HD12 LEU B 211 -12.452 -18.107 17.027 1.00 0.10 H \nATOM 6681 HD13 LEU B 211 -12.033 -19.242 18.355 1.00 0.10 H \nATOM 6682 H LEU B 211 -14.770 -22.955 19.424 1.00 0.27 H \nATOM 6683 N ALA B 212 -14.953 -20.086 21.368 1.00 -0.42 N \nATOM 6684 CA ALA B 212 -15.238 -19.119 22.425 1.00 0.03 C \nATOM 6685 C ALA B 212 -14.209 -19.204 23.559 1.00 0.60 C \nATOM 6686 O ALA B 212 -13.738 -18.181 24.069 1.00 -0.57 O \nATOM 6687 CB ALA B 212 -16.638 -19.338 22.974 1.00 -0.18 C \nATOM 6688 HA ALA B 212 -15.188 -18.110 21.990 1.00 0.08 H \nATOM 6689 HB1 ALA B 212 -16.839 -18.604 23.768 1.00 0.06 H \nATOM 6690 HB2 ALA B 212 -17.373 -19.214 22.165 1.00 0.06 H \nATOM 6691 HB3 ALA B 212 -16.715 -20.355 23.386 1.00 0.06 H \nATOM 6692 H ALA B 212 -15.638 -20.779 21.144 1.00 0.27 H \nATOM 6693 N VAL B 213 -13.832 -20.420 23.936 1.00 -0.42 N \nATOM 6694 CA VAL B 213 -12.819 -20.601 25.008 1.00 -0.09 C \nATOM 6695 C VAL B 213 -11.488 -20.033 24.561 1.00 0.60 C \nATOM 6696 O VAL B 213 -10.796 -19.350 25.309 1.00 -0.57 O \nATOM 6697 CB VAL B 213 -12.674 -22.082 25.386 1.00 0.30 C \nATOM 6698 CG1 VAL B 213 -11.487 -22.335 26.292 1.00 -0.32 C \nATOM 6699 CG2 VAL B 213 -13.949 -22.547 26.058 1.00 -0.32 C \nATOM 6700 HA VAL B 213 -13.153 -20.049 25.899 1.00 0.10 H \nATOM 6701 HB VAL B 213 -12.529 -22.662 24.462 1.00 -0.03 H \nATOM 6702 HG11 VAL B 213 -11.600 -21.750 27.217 1.00 0.08 H \nATOM 6703 HG12 VAL B 213 -11.436 -23.406 26.539 1.00 0.08 H \nATOM 6704 HG13 VAL B 213 -10.563 -22.033 25.778 1.00 0.08 H \nATOM 6705 HG21 VAL B 213 -14.796 -22.413 25.370 1.00 0.08 H \nATOM 6706 HG22 VAL B 213 -13.857 -23.611 26.323 1.00 0.08 H \nATOM 6707 HG23 VAL B 213 -14.120 -21.956 26.970 1.00 0.08 H \nATOM 6708 H VAL B 213 -14.234 -21.222 23.494 1.00 0.27 H \nATOM 6709 N ALA B 214 -11.143 -20.291 23.308 1.00 -0.42 N \nATOM 6710 CA ALA B 214 -9.893 -19.823 22.785 1.00 0.03 C \nATOM 6711 C ALA B 214 -9.889 -18.310 22.690 1.00 0.60 C \nATOM 6712 O ALA B 214 -8.868 -17.678 22.970 1.00 -0.57 O \nATOM 6713 CB ALA B 214 -9.627 -20.430 21.425 1.00 -0.18 C \nATOM 6714 HA ALA B 214 -9.090 -20.133 23.470 1.00 0.08 H \nATOM 6715 HB1 ALA B 214 -8.665 -20.060 21.040 1.00 0.06 H \nATOM 6716 HB2 ALA B 214 -9.589 -21.526 21.514 1.00 0.06 H \nATOM 6717 HB3 ALA B 214 -10.433 -20.146 20.733 1.00 0.06 H \nATOM 6718 H ALA B 214 -11.760 -20.817 22.722 1.00 0.27 H \nATOM 6719 N ALA B 215 -11.020 -17.737 22.283 1.00 -0.42 N \nATOM 6720 CA ALA B 215 -11.123 -16.285 22.178 1.00 0.03 C \nATOM 6721 C ALA B 215 -10.899 -15.659 23.544 1.00 0.60 C \nATOM 6722 O ALA B 215 -10.191 -14.654 23.648 1.00 -0.57 O \nATOM 6723 CB ALA B 215 -12.469 -15.850 21.619 1.00 -0.18 C \nATOM 6724 HA ALA B 215 -10.337 -15.931 21.495 1.00 0.08 H \nATOM 6725 HB1 ALA B 215 -12.503 -14.752 21.557 1.00 0.06 H \nATOM 6726 HB2 ALA B 215 -12.605 -16.278 20.615 1.00 0.06 H \nATOM 6727 HB3 ALA B 215 -13.273 -16.205 22.281 1.00 0.06 H \nATOM 6728 H ALA B 215 -11.807 -18.307 22.047 1.00 0.27 H \nATOM 6729 N LYS B 216 -11.495 -16.261 24.563 1.00 -0.35 N \nATOM 6730 CA LYS B 216 -11.395 -15.768 25.934 1.00 -0.24 C \nATOM 6731 C LYS B 216 -9.969 -15.866 26.448 1.00 0.73 C \nATOM 6732 O LYS B 216 -9.481 -14.917 27.039 1.00 -0.59 O \nATOM 6733 CB LYS B 216 -12.321 -16.550 26.860 1.00 -0.01 C \nATOM 6734 CG LYS B 216 -12.487 -15.966 28.251 1.00 0.02 C \nATOM 6735 CD LYS B 216 -13.321 -16.891 29.129 1.00 -0.05 C \nATOM 6736 CE LYS B 216 -13.701 -16.241 30.452 1.00 -0.01 C \nATOM 6737 NZ LYS B 216 -12.517 -16.116 31.348 1.00 -0.39 N \nATOM 6738 HA LYS B 216 -11.699 -14.711 25.944 1.00 0.14 H \nATOM 6739 HB2 LYS B 216 -13.314 -16.595 26.389 1.00 0.04 H \nATOM 6740 HB3 LYS B 216 -11.918 -17.568 26.964 1.00 0.04 H \nATOM 6741 HG2 LYS B 216 -11.495 -15.833 28.707 1.00 0.01 H \nATOM 6742 HG3 LYS B 216 -12.990 -14.990 28.175 1.00 0.01 H \nATOM 6743 HD2 LYS B 216 -14.241 -17.158 28.588 1.00 0.06 H \nATOM 6744 HD3 LYS B 216 -12.740 -17.802 29.336 1.00 0.06 H \nATOM 6745 HE2 LYS B 216 -14.110 -15.239 30.256 1.00 0.11 H \nATOM 6746 HE3 LYS B 216 -14.464 -16.858 30.949 1.00 0.11 H \nATOM 6747 HZ1 LYS B 216 -11.811 -15.556 30.896 1.00 0.34 H \nATOM 6748 HZ2 LYS B 216 -12.794 -15.675 32.211 1.00 0.34 H \nATOM 6749 HZ3 LYS B 216 -12.145 -17.032 31.543 1.00 0.34 H \nATOM 6750 H LYS B 216 -12.034 -17.085 24.386 1.00 0.27 H \nATOM 6751 N GLN B 217 -9.287 -16.985 26.215 1.00 -0.42 N \nATOM 6752 CA GLN B 217 -7.929 -17.100 26.716 1.00 -0.00 C \nATOM 6753 C GLN B 217 -6.955 -16.221 25.922 1.00 0.60 C \nATOM 6754 O GLN B 217 -6.048 -15.602 26.503 1.00 -0.57 O \nATOM 6755 CB GLN B 217 -7.464 -18.539 26.739 1.00 -0.00 C \nATOM 6756 CG GLN B 217 -8.267 -19.436 27.659 1.00 -0.06 C \nATOM 6757 CD GLN B 217 -8.318 -18.913 29.086 1.00 0.70 C \nATOM 6758 OE1 GLN B 217 -9.354 -18.486 29.547 1.00 -0.61 O \nATOM 6759 NE2 GLN B 217 -7.188 -18.906 29.763 1.00 -0.94 N \nATOM 6760 HA GLN B 217 -7.931 -16.736 27.754 1.00 0.09 H \nATOM 6761 HB2 GLN B 217 -7.534 -18.941 25.717 1.00 0.02 H \nATOM 6762 HB3 GLN B 217 -6.415 -18.557 27.069 1.00 0.02 H \nATOM 6763 HG2 GLN B 217 -9.295 -19.508 27.273 1.00 0.04 H \nATOM 6764 HG3 GLN B 217 -7.808 -20.435 27.666 1.00 0.04 H \nATOM 6765 HE22 GLN B 217 -7.172 -18.571 30.705 1.00 0.43 H \nATOM 6766 HE21 GLN B 217 -6.347 -19.236 29.335 1.00 0.43 H \nATOM 6767 H GLN B 217 -9.704 -17.736 25.702 1.00 0.27 H \nATOM 6768 N SER B 218 -7.114 -16.170 24.604 1.00 -0.42 N \nATOM 6769 CA SER B 218 -6.240 -15.298 23.812 1.00 -0.02 C \nATOM 6770 C SER B 218 -6.429 -13.844 24.254 1.00 0.60 C \nATOM 6771 O SER B 218 -5.469 -13.079 24.364 1.00 -0.57 O \nATOM 6772 CB SER B 218 -6.474 -15.464 22.303 1.00 0.21 C \nATOM 6773 OG SER B 218 -7.838 -15.245 21.987 1.00 -0.65 O \nATOM 6774 HA SER B 218 -5.198 -15.584 24.019 1.00 0.08 H \nATOM 6775 HB2 SER B 218 -5.854 -14.737 21.758 1.00 0.04 H \nATOM 6776 HB3 SER B 218 -6.192 -16.484 22.003 1.00 0.04 H \nATOM 6777 HG SER B 218 -7.967 -15.351 21.052 1.00 0.43 H \nATOM 6778 H SER B 218 -7.821 -16.719 24.158 1.00 0.27 H \nATOM 6779 N THR B 219 -7.665 -13.472 24.548 1.00 -0.42 N \nATOM 6780 CA THR B 219 -7.975 -12.115 24.930 1.00 -0.04 C \nATOM 6781 C THR B 219 -7.296 -11.723 26.247 1.00 0.60 C \nATOM 6782 O THR B 219 -6.693 -10.651 26.343 1.00 -0.57 O \nATOM 6783 CB THR B 219 -9.504 -11.914 24.974 1.00 0.37 C \nATOM 6784 OG1 THR B 219 -10.022 -11.999 23.629 1.00 -0.68 O \nATOM 6785 CG2 THR B 219 -9.864 -10.559 25.572 1.00 -0.24 C \nATOM 6786 HA THR B 219 -7.576 -11.450 24.149 1.00 0.10 H \nATOM 6787 HB THR B 219 -9.953 -12.707 25.590 1.00 0.00 H \nATOM 6788 HG1 THR B 219 -10.964 -11.877 23.644 1.00 0.41 H \nATOM 6789 HG23 THR B 219 -10.129 -10.685 26.632 1.00 0.06 H \nATOM 6790 HG21 THR B 219 -9.003 -9.880 25.487 1.00 0.06 H \nATOM 6791 HG22 THR B 219 -10.721 -10.134 25.028 1.00 0.06 H \nATOM 6792 H THR B 219 -8.401 -14.147 24.504 1.00 0.27 H \nATOM 6793 N LEU B 220 -7.372 -12.613 27.235 1.00 -0.42 N \nATOM 6794 CA LEU B 220 -6.719 -12.430 28.494 1.00 -0.05 C \nATOM 6795 C LEU B 220 -5.217 -12.242 28.305 1.00 0.60 C \nATOM 6796 O LEU B 220 -4.615 -11.340 28.915 1.00 -0.57 O \nATOM 6797 CB LEU B 220 -7.006 -13.630 29.393 1.00 -0.11 C \nATOM 6798 CG LEU B 220 -6.342 -13.732 30.766 1.00 0.35 C \nATOM 6799 CD1 LEU B 220 -6.772 -12.628 31.723 1.00 -0.41 C \nATOM 6800 CD2 LEU B 220 -6.610 -15.095 31.372 1.00 -0.41 C \nATOM 6801 HA LEU B 220 -7.124 -11.526 28.973 1.00 0.09 H \nATOM 6802 HB2 LEU B 220 -8.093 -13.646 29.564 1.00 0.05 H \nATOM 6803 HB3 LEU B 220 -6.710 -14.527 28.830 1.00 0.05 H \nATOM 6804 HG LEU B 220 -5.257 -13.634 30.617 1.00 -0.04 H \nATOM 6805 HD21 LEU B 220 -6.210 -15.876 30.709 1.00 0.10 H \nATOM 6806 HD22 LEU B 220 -6.120 -15.162 32.354 1.00 0.10 H \nATOM 6807 HD23 LEU B 220 -7.694 -15.236 31.493 1.00 0.10 H \nATOM 6808 HD11 LEU B 220 -7.862 -12.672 31.867 1.00 0.10 H \nATOM 6809 HD12 LEU B 220 -6.268 -12.765 32.691 1.00 0.10 H \nATOM 6810 HD13 LEU B 220 -6.497 -11.650 31.302 1.00 0.10 H \nATOM 6811 H LEU B 220 -7.908 -13.444 27.090 1.00 0.27 H \nATOM 6812 N MET B 221 -4.607 -13.080 27.472 1.00 -0.42 N \nATOM 6813 CA MET B 221 -3.191 -12.950 27.203 1.00 -0.02 C \nATOM 6814 C MET B 221 -2.872 -11.610 26.587 1.00 0.60 C \nATOM 6815 O MET B 221 -1.948 -10.904 27.040 1.00 -0.57 O \nATOM 6816 CB MET B 221 -2.683 -14.058 26.263 1.00 0.03 C \nATOM 6817 CG MET B 221 -2.204 -15.293 26.981 1.00 0.00 C \nATOM 6818 SD MET B 221 -0.740 -14.962 27.995 1.00 -0.27 S \nATOM 6819 CE MET B 221 0.522 -14.623 26.796 1.00 -0.05 C \nATOM 6820 HA MET B 221 -2.655 -13.032 28.160 1.00 0.09 H \nATOM 6821 HB2 MET B 221 -3.504 -14.345 25.590 1.00 0.02 H \nATOM 6822 HB3 MET B 221 -1.848 -13.655 25.672 1.00 0.02 H \nATOM 6823 HG2 MET B 221 -3.011 -15.661 27.631 1.00 0.04 H \nATOM 6824 HG3 MET B 221 -1.954 -16.063 26.236 1.00 0.04 H \nATOM 6825 HE1 MET B 221 0.222 -13.761 26.182 1.00 0.07 H \nATOM 6826 HE2 MET B 221 1.466 -14.395 27.312 1.00 0.07 H \nATOM 6827 HE3 MET B 221 0.660 -15.503 26.150 1.00 0.07 H \nATOM 6828 H MET B 221 -5.131 -13.806 27.028 1.00 0.27 H \nATOM 6829 N VAL B 222 -3.635 -11.238 25.557 1.00 -0.42 N \nATOM 6830 CA VAL B 222 -3.340 -10.019 24.815 1.00 -0.09 C \nATOM 6831 C VAL B 222 -3.529 -8.751 25.688 1.00 0.60 C \nATOM 6832 O VAL B 222 -2.743 -7.826 25.623 1.00 -0.57 O \nATOM 6833 CB VAL B 222 -4.206 -9.901 23.557 1.00 0.30 C \nATOM 6834 CG1 VAL B 222 -4.239 -8.461 23.052 1.00 -0.32 C \nATOM 6835 CG2 VAL B 222 -3.694 -10.863 22.495 1.00 -0.32 C \nATOM 6836 HA VAL B 222 -2.286 -10.065 24.503 1.00 0.10 H \nATOM 6837 HB VAL B 222 -5.235 -10.192 23.816 1.00 -0.03 H \nATOM 6838 HG11 VAL B 222 -3.216 -8.130 22.820 1.00 0.08 H \nATOM 6839 HG12 VAL B 222 -4.858 -8.405 22.144 1.00 0.08 H \nATOM 6840 HG13 VAL B 222 -4.667 -7.810 23.828 1.00 0.08 H \nATOM 6841 HG21 VAL B 222 -3.734 -11.892 22.882 1.00 0.08 H \nATOM 6842 HG22 VAL B 222 -4.323 -10.785 21.596 1.00 0.08 H \nATOM 6843 HG23 VAL B 222 -2.655 -10.608 22.239 1.00 0.08 H \nATOM 6844 H VAL B 222 -4.417 -11.802 25.292 1.00 0.27 H \nATOM 6845 N GLU B 223 -4.593 -8.701 26.470 1.00 -0.52 N \nATOM 6846 CA GLU B 223 -4.796 -7.568 27.384 1.00 0.04 C \nATOM 6847 C GLU B 223 -3.628 -7.449 28.401 1.00 0.54 C \nATOM 6848 O GLU B 223 -3.066 -6.355 28.637 1.00 -0.58 O \nATOM 6849 CB GLU B 223 -6.153 -7.720 28.065 1.00 0.06 C \nATOM 6850 CG GLU B 223 -6.605 -6.475 28.802 1.00 0.01 C \nATOM 6851 CD GLU B 223 -8.003 -6.621 29.357 1.00 0.81 C \nATOM 6852 OE1 GLU B 223 -8.602 -7.715 29.199 1.00 -0.82 O \nATOM 6853 OE2 GLU B 223 -8.509 -5.640 29.946 1.00 -0.82 O \nATOM 6854 HA GLU B 223 -4.815 -6.643 26.789 1.00 0.11 H \nATOM 6855 HB2 GLU B 223 -6.903 -7.961 27.297 1.00 -0.02 H \nATOM 6856 HB3 GLU B 223 -6.089 -8.547 28.787 1.00 -0.02 H \nATOM 6857 HG2 GLU B 223 -5.911 -6.283 29.634 1.00 -0.04 H \nATOM 6858 HG3 GLU B 223 -6.587 -5.624 28.105 1.00 -0.04 H \nATOM 6859 H GLU B 223 -5.266 -9.440 26.440 1.00 0.29 H \nATOM 6860 N THR B 224 -3.228 -8.587 28.952 1.00 -0.42 N \nATOM 6861 CA THR B 224 -2.129 -8.636 29.886 1.00 -0.04 C \nATOM 6862 C THR B 224 -0.791 -8.191 29.224 1.00 0.60 C \nATOM 6863 O THR B 224 -0.038 -7.391 29.785 1.00 -0.57 O \nATOM 6864 CB THR B 224 -2.059 -10.018 30.528 1.00 0.37 C \nATOM 6865 OG1 THR B 224 -3.352 -10.329 31.093 1.00 -0.68 O \nATOM 6866 CG2 THR B 224 -0.989 -10.051 31.646 1.00 -0.24 C \nATOM 6867 HA THR B 224 -2.343 -7.915 30.688 1.00 0.10 H \nATOM 6868 HB THR B 224 -1.803 -10.763 29.761 1.00 0.00 H \nATOM 6869 HG1 THR B 224 -3.323 -11.188 31.497 1.00 0.41 H \nATOM 6870 HG23 THR B 224 -0.060 -10.490 31.252 1.00 0.06 H \nATOM 6871 HG21 THR B 224 -0.791 -9.027 31.995 1.00 0.06 H \nATOM 6872 HG22 THR B 224 -1.355 -10.660 32.486 1.00 0.06 H \nATOM 6873 H THR B 224 -3.701 -9.435 28.714 1.00 0.27 H \nATOM 6874 N LEU B 225 -0.533 -8.682 28.016 1.00 -0.42 N \nATOM 6875 CA LEU B 225 0.671 -8.342 27.276 1.00 -0.05 C \nATOM 6876 C LEU B 225 0.756 -6.862 26.932 1.00 0.60 C \nATOM 6877 O LEU B 225 1.823 -6.258 27.070 1.00 -0.57 O \nATOM 6878 CB LEU B 225 0.759 -9.196 26.015 1.00 -0.11 C \nATOM 6879 CG LEU B 225 1.919 -8.981 25.065 1.00 0.35 C \nATOM 6880 CD1 LEU B 225 3.259 -9.243 25.760 1.00 -0.41 C \nATOM 6881 CD2 LEU B 225 1.694 -9.965 23.927 1.00 -0.41 C \nATOM 6882 HA LEU B 225 1.534 -8.583 27.913 1.00 0.09 H \nATOM 6883 HB2 LEU B 225 0.797 -10.247 26.339 1.00 0.05 H \nATOM 6884 HB3 LEU B 225 -0.164 -9.022 25.442 1.00 0.05 H \nATOM 6885 HG LEU B 225 1.909 -7.950 24.682 1.00 -0.04 H \nATOM 6886 HD21 LEU B 225 0.726 -9.757 23.448 1.00 0.10 H \nATOM 6887 HD22 LEU B 225 2.500 -9.859 23.186 1.00 0.10 H \nATOM 6888 HD23 LEU B 225 1.694 -10.991 24.324 1.00 0.10 H \nATOM 6889 HD11 LEU B 225 3.284 -10.279 26.129 1.00 0.10 H \nATOM 6890 HD12 LEU B 225 4.080 -9.089 25.044 1.00 0.10 H \nATOM 6891 HD13 LEU B 225 3.375 -8.549 26.606 1.00 0.10 H \nATOM 6892 H LEU B 225 -1.192 -9.309 27.601 1.00 0.27 H \nATOM 6893 N VAL B 226 -0.339 -6.285 26.460 1.00 -0.42 N \nATOM 6894 CA VAL B 226 -0.370 -4.866 26.113 1.00 -0.09 C \nATOM 6895 C VAL B 226 0.031 -4.013 27.345 1.00 0.60 C \nATOM 6896 O VAL B 226 0.749 -3.025 27.229 1.00 -0.57 O \nATOM 6897 CB VAL B 226 -1.777 -4.449 25.611 1.00 0.30 C \nATOM 6898 CG1 VAL B 226 -1.963 -2.933 25.586 1.00 -0.32 C \nATOM 6899 CG2 VAL B 226 -2.044 -5.054 24.237 1.00 -0.32 C \nATOM 6900 HA VAL B 226 0.357 -4.686 25.307 1.00 0.10 H \nATOM 6901 HB VAL B 226 -2.517 -4.861 26.313 1.00 -0.03 H \nATOM 6902 HG11 VAL B 226 -1.210 -2.482 24.923 1.00 0.08 H \nATOM 6903 HG12 VAL B 226 -2.970 -2.693 25.214 1.00 0.08 H \nATOM 6904 HG13 VAL B 226 -1.843 -2.532 26.603 1.00 0.08 H \nATOM 6905 HG21 VAL B 226 -1.985 -6.151 24.301 1.00 0.08 H \nATOM 6906 HG22 VAL B 226 -3.048 -4.760 23.896 1.00 0.08 H \nATOM 6907 HG23 VAL B 226 -1.292 -4.688 23.523 1.00 0.08 H \nATOM 6908 H VAL B 226 -1.165 -6.835 26.338 1.00 0.27 H \nATOM 6909 N GLN B 227 -0.420 -4.423 28.518 1.00 -0.42 N \nATOM 6910 CA GLN B 227 -0.106 -3.684 29.748 1.00 -0.00 C \nATOM 6911 C GLN B 227 1.392 -3.845 30.082 1.00 0.60 C \nATOM 6912 O GLN B 227 2.105 -2.868 30.314 1.00 -0.57 O \nATOM 6913 CB GLN B 227 -1.003 -4.190 30.889 1.00 -0.00 C \nATOM 6914 CG GLN B 227 -0.641 -3.707 32.289 1.00 -0.06 C \nATOM 6915 CD GLN B 227 -1.019 -2.264 32.536 1.00 0.70 C \nATOM 6916 OE1 GLN B 227 -1.590 -1.590 31.667 1.00 -0.61 O \nATOM 6917 NE2 GLN B 227 -0.693 -1.767 33.745 1.00 -0.94 N \nATOM 6918 HA GLN B 227 -0.314 -2.616 29.587 1.00 0.09 H \nATOM 6919 HB2 GLN B 227 -2.032 -3.866 30.677 1.00 0.02 H \nATOM 6920 HB3 GLN B 227 -0.958 -5.289 30.890 1.00 0.02 H \nATOM 6921 HG2 GLN B 227 -1.165 -4.337 33.023 1.00 0.04 H \nATOM 6922 HG3 GLN B 227 0.445 -3.812 32.425 1.00 0.04 H \nATOM 6923 HE22 GLN B 227 -0.915 -0.819 33.972 1.00 0.43 H \nATOM 6924 HE21 GLN B 227 -0.229 -2.346 34.415 1.00 0.43 H \nATOM 6925 H GLN B 227 -0.983 -5.248 28.569 1.00 0.27 H \nATOM 6926 N LYS B 228 1.858 -5.087 30.099 1.00 -0.35 N \nATOM 6927 CA LYS B 228 3.279 -5.364 30.299 1.00 -0.24 C \nATOM 6928 C LYS B 228 4.186 -4.581 29.312 1.00 0.73 C \nATOM 6929 O LYS B 228 5.224 -4.054 29.708 1.00 -0.59 O \nATOM 6930 CB LYS B 228 3.555 -6.867 30.207 1.00 -0.01 C \nATOM 6931 CG LYS B 228 4.979 -7.234 30.576 1.00 0.02 C \nATOM 6932 CD LYS B 228 5.153 -8.714 30.845 1.00 -0.05 C \nATOM 6933 CE LYS B 228 4.401 -9.174 32.070 1.00 -0.01 C \nATOM 6934 NZ LYS B 228 4.852 -8.445 33.282 1.00 -0.39 N \nATOM 6935 HA LYS B 228 3.538 -5.036 31.316 1.00 0.14 H \nATOM 6936 HB2 LYS B 228 2.870 -7.391 30.890 1.00 0.04 H \nATOM 6937 HB3 LYS B 228 3.365 -7.195 29.174 1.00 0.04 H \nATOM 6938 HG2 LYS B 228 5.642 -6.947 29.746 1.00 0.01 H \nATOM 6939 HG3 LYS B 228 5.262 -6.677 31.481 1.00 0.01 H \nATOM 6940 HD2 LYS B 228 4.785 -9.276 29.974 1.00 0.06 H \nATOM 6941 HD3 LYS B 228 6.223 -8.922 30.990 1.00 0.06 H \nATOM 6942 HE2 LYS B 228 3.326 -8.992 31.921 1.00 0.11 H \nATOM 6943 HE3 LYS B 228 4.574 -10.251 32.214 1.00 0.11 H \nATOM 6944 HZ1 LYS B 228 4.701 -7.456 33.155 1.00 0.34 H \nATOM 6945 HZ2 LYS B 228 4.328 -8.765 34.081 1.00 0.34 H \nATOM 6946 HZ3 LYS B 228 5.833 -8.619 33.433 1.00 0.34 H \nATOM 6947 H LYS B 228 1.224 -5.850 29.972 1.00 0.27 H \nATOM 6948 N LEU B 229 3.794 -4.491 28.049 1.00 -0.42 N \nATOM 6949 CA LEU B 229 4.576 -3.730 27.056 1.00 -0.05 C \nATOM 6950 C LEU B 229 4.620 -2.192 27.229 1.00 0.60 C \nATOM 6951 O LEU B 229 5.660 -1.573 26.982 1.00 -0.57 O \nATOM 6952 CB LEU B 229 4.104 -4.061 25.634 1.00 -0.11 C \nATOM 6953 CG LEU B 229 4.393 -5.493 25.180 1.00 0.35 C \nATOM 6954 CD1 LEU B 229 3.625 -5.815 23.901 1.00 -0.41 C \nATOM 6955 CD2 LEU B 229 5.890 -5.720 24.999 1.00 -0.41 C \nATOM 6956 HA LEU B 229 5.614 -4.081 27.152 1.00 0.09 H \nATOM 6957 HB2 LEU B 229 3.017 -3.900 25.588 1.00 0.05 H \nATOM 6958 HB3 LEU B 229 4.606 -3.373 24.938 1.00 0.05 H \nATOM 6959 HG LEU B 229 4.042 -6.176 25.967 1.00 -0.04 H \nATOM 6960 HD21 LEU B 229 6.407 -5.533 25.952 1.00 0.10 H \nATOM 6961 HD22 LEU B 229 6.068 -6.759 24.683 1.00 0.10 H \nATOM 6962 HD23 LEU B 229 6.275 -5.032 24.232 1.00 0.10 H \nATOM 6963 HD11 LEU B 229 3.923 -5.113 23.108 1.00 0.10 H \nATOM 6964 HD12 LEU B 229 3.853 -6.844 23.585 1.00 0.10 H \nATOM 6965 HD13 LEU B 229 2.545 -5.720 24.088 1.00 0.10 H \nATOM 6966 H LEU B 229 2.952 -4.948 27.764 1.00 0.27 H \nATOM 6967 N ALA B 230 3.505 -1.584 27.606 1.00 -0.42 N \nATOM 6968 CA ALA B 230 3.423 -0.133 27.815 1.00 0.03 C \nATOM 6969 C ALA B 230 4.302 0.328 28.974 1.00 0.60 C \nATOM 6970 O ALA B 230 4.381 -0.373 29.990 1.00 -0.57 O \nATOM 6971 CB ALA B 230 1.977 0.252 28.088 1.00 -0.18 C \nATOM 6972 HA ALA B 230 3.762 0.372 26.898 1.00 0.08 H \nATOM 6973 HB1 ALA B 230 1.910 1.339 28.245 1.00 0.06 H \nATOM 6974 HB2 ALA B 230 1.353 -0.033 27.228 1.00 0.06 H \nATOM 6975 HB3 ALA B 230 1.622 -0.271 28.988 1.00 0.06 H \nATOM 6976 H ALA B 230 2.685 -2.136 27.754 1.00 0.27 H \nTER 6977 ALA B 230 \nMASTER 0 0 0 0 0 0 0 0 6975 2 0 37 \nEND \n" }, { "path": "data/4f2w_protein.ply", "content": "ply\nformat ascii 1.0\ncomment Generated by PyMesh\nelement vertex 374\nproperty float x\nproperty float y\nproperty float z\nproperty float charge\nproperty float hbond\nproperty float hphob\nproperty float nx\nproperty float ny\nproperty float nz\nproperty float si\nelement face 680\nproperty list uchar int vertex_indices\nend_header\n14.9725 -26.2605 -8.0245 0.0338617 -0.00498286 2.73148 -0.783002 0.562023 0.266532 -0.586253\n9.747 -16.437 -11.134 -3.18716 0 1.9 0.257509 0.860978 -0.438641 -0.405612\n6.7035 -13.8525 -10.8245 -3.38475 0 1.80253 0.368559 0.923301 0.108075 -0.710216\n11.7955 -13.3215 -18.667 -0.492996 0 2.93283 -0.83701 -0.288878 0.464719 0.999841\n13.065 -15.217 -11.634 -0.473919 0 1.9 -0.944332 0.101653 -0.312897 0.927423\n6.14 -9.6285 -2.0125 -1.1216 0 1.8 -0.812459 -0.241701 -0.530557 -0.999936\n15.531 -20.717 -2.868 -0.660755 0 -1.3 -0.99995 0.00744783 -0.00666383 0.162993\n11.736 -15.165 -5.538 -0.498686 0 -1.6 -0.496439 -0.851339 0.169614 0.480442\n14.899 -17.2455 -7.005 -0.574613 0 -1.3 -0.237362 -0.617755 0.749692 0.999889\n10.743 -11.51 -18.801 -0.894467 -0 -3.5 -0.6793 -0.379971 0.627832 0.999958\n6.1615 -20.242 -9.0295 -3.21067 0 2.00364 -0.572663 -0.706526 0.415785 0.0597909\n13.639 -18.34 -0.892 -0.337909 0 -3.5 -0.821041 -0.388089 -0.418663 -0.999925\n15.666 -17.5025 -4.2685 -0.223949 0 -1.3 -0.829291 -0.542764 -0.13298 0.450189\n15.418 -19.376 -17.924 -1.58876 -0.517946 -3.5 0.0300318 -0.635625 -0.771414 0.999965\n15.0855 -13.936 -14.721 -1.07496 0 -3.5 -0.68393 0.708807 0.172722 0.394292\n12.2855 -12.3725 -11.1785 -1.61384 -0.34792 -3.02857 -0.355338 0.129206 -0.925765 -0.780181\n9.336 -19.1105 -12.4452 -2.80016 0 2.8 0.328791 0.0439961 -0.943377 0.446439\n15.3765 -20.3808 -15.8182 -1.76052 0 -3.5 -0.602436 -0.78882 -0.121797 -0.507445\n7.035 -19.9225 -6.735 -2.47802 0 2.37836 -0.534721 -0.198615 0.821356 -0.999901\n8.08975 -15.8853 -12.2895 -4.13029 0 1.9 0.833569 0.499618 -0.235678 0.260622\n13.1053 -14.6868 -3.83075 -0.157741 0 -0.4 -0.459769 -0.503126 0.731763 0.630296\n15.6195 -24.403 -13.928 -1.19415 -0.130337 -3.5 -0.508788 0.835285 -0.20841 0.437342\n8.185 -10.403 -3.404 -0.939992 0 -0.4 -0.583054 0.0333635 -0.811748 0.88732\n12.103 -17.8245 -15.8255 -1.43086 0 3.67382 -0.971089 0.177853 -0.159234 -0.999891\n13.959 -16.6285 -5.545 -0.326564 0 -1.321 -0.344334 -0.90269 0.258042 0.0328093\n4.069 -23.2952 -10.7257 -3.016 0.531715 4.40528 0.371981 -0.72941 0.5741 -0.140271\n8.32275 -8.294 -5.76825 -0.66389 0 -0.41068 -0.79395 -0.245642 -0.556151 -0.670665\n12.158 -21.1595 -8.6945 -1.53777 0 2.14046 0.158172 -0.979879 0.12173 -0.721095\n9.0535 -12.266 -5.703 -0.446809 0.0254565 2.1279 -0.996475 -0.0202087 -0.0814194 -0.670711\n4.9715 -25.6665 -13.4458 -3.76632 -0.589799 4.5 0.449333 -0.891233 0.0616777 -0.999887\n9.21775 -10.2917 -7.40425 -0.919661 0 1.174 -0.991201 -0.0870658 -0.0997015 -0.35494\n10.3065 -17.564 -7.467 -1.75525 0 -1.50186 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-0.99985\n9.32306 -13.7409 -5.82888 -0.639277 0 4.5 -0.901168 -0.423063 -0.0944121 -0.999837\n14.4173 -24.6184 -13.1582 -0.948196 0 -2.79134 -0.819217 0.538117 -0.198276 -0.566\n14.635 -26.6868 -13.3249 -0.626372 0 -3.2 -0.930831 -0.261244 -0.255547 0.999928\n12.8475 -13.6908 -11.416 -1.25386 -0.0516383 0.942763 -0.620538 0.0846369 -0.779596 -0.138148\n3.07719 -25.3691 -14.5653 -3.44734 0 1.8 -0.273158 -0.689261 -0.671047 -0.999863\n12.0492 -19.1998 -6.66116 -1.66807 0 -1.50919 0.130134 -0.270713 0.953824 -0.785709\n9.59203 -21.6831 -8.85291 -1.85674 0 4.11849 0.234261 -0.953589 0.189181 -0.571191\n3.401 -15.7835 -13.8511 -3.38494 0 -1.69659 -0.528607 0.636051 -0.562151 -0.999762\n12.3689 -21.4106 -11.2295 -2.03425 0 2.8 -0.359095 -0.914875 -0.18454 -0.665804\n5.791 -13.7334 -11.9676 -4.10216 0 1.8 -0.0267692 0.997364 -0.0674378 -0.999787\n10.4554 -14.7068 -5.30491 -0.783511 0 -0.780871 -0.501528 -0.835977 0.222737 -0.572271\n7.88637 -14.899 -10.5631 -3.15952 0 2.73767 0.695914 0.701883 0.151868 -0.479155\n14.9847 -21.5798 -4.33362 -1.04176 0 -1.3 -0.996431 0.0162459 0.082838 -0.732455\n1.86206 -20.6195 -9.83663 -3.38359 0 1.21459 -0.559856 0.646222 0.518611 -0.73581\n14.2609 -14.2119 -14.2169 -1.27145 0 -3.5 -0.425523 0.886713 -0.180747 -0.221869\n10.3307 -16.281 -9.76369 -1.88944 0 4.5 -0.359739 0.9307 0.0662197 0.0647582\n12.8731 -18.192 -6.66587 -1.92579 0 -1.3 0.205868 -0.304655 0.929948 -0.309221\n4.7195 -17.7747 -8.35709 -3.49769 0 1.9 -0.319565 -0.127851 0.9389 -0.465622\n6.6405 -19.6774 -15.3659 -2.48398 0.370731 0.59875 0.76893 0.099709 -0.631509 -0.999827\n9.64581 -8.15122 -7.87413 -0.263559 0 -3.9 -0.573656 0.736449 -0.358554 -0.999873\n10.467 -17.4426 -12.0512 -2.12817 0 2.50852 0.149651 0.466963 -0.871522 -0.30783\n2.522 -21.857 -14.698 -3.11939 0 -0.4 -0.651187 -0.0691356 -0.755762 -0.306418\n8.587 -19.1336 -6.58775 -2.12828 0 4.48921 0.0399563 0.084838 0.995593 -0.68785\n13.9699 -21.6895 -10.3322 -1.49416 0 2.8 -0.391076 -0.907866 0.151124 0.111521\n7.86837 -21.1038 -7.24925 -2.10813 0 4.2 -0.158898 -0.737532 0.656352 -0.999846\n6.62756 -20.2798 -7.81922 -3.20859 0 1.9 -0.82659 -0.371679 0.422614 -0.58864\n7.62253 -17.6255 -13.7268 -2.86573 0 2.8 0.601761 -0.0469909 -0.797293 -0.537776\n5.81303 -21.6807 -12.0024 -3.40417 0 2.8 0.772812 -0.555624 0.306666 0.25401\n3.26288 -25.6439 -12.6706 -3.42321 0 4.5 -0.136899 -0.906098 0.400306 -0.999824\n7.45947 -20.9221 -11.2138 -2.75991 0 2.8 0.0125168 -0.97826 -0.207004 0.104373\n2.9445 -20.0823 -15.0989 -2.55984 0 -0.25119 -0.701932 0.0965233 -0.705673 -0.578848\n14.6559 -22.0296 -12.3597 -1.55497 -0.083264 2.14222 -0.549035 -0.654161 -0.520224 -0.0870651\n6.505 -21.001 -12.9165 -2.99471 0 2.8 0.682467 -0.729958 -0.0374158 0.515689\n14.3975 -27.6305 -10.697 -0.97254 -0.249473 1.8 -0.993823 -0.0663191 -0.0889817 -0.999907\n3 369 372 367\n3 369 180 372\n3 166 367 372\n3 63 369 367\n3 295 180 369\n3 372 180 281\n3 166 216 367\n3 166 372 281\n3 369 63 227\n3 63 367 159\n3 295 220 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0\n3 167 67 76\n3 69 32 167\n3 125 32 69\n3 125 69 342\n3 342 65 341\n3 42 217 149\n3 217 282 211\n3 124 77 149\n3 354 196 14\n3 124 120 184\n3 120 87 196\n3 56 291 239\n3 239 354 14\n3 64 15 99\n3 64 194 15\n3 306 82 194\n3 317 99 191\n3 56 191 291\n3 147 350 340\n3 299 7 350\n3 200 306 168\n3 30 240 168\n3 233 28 340\n3 30 233 240\n3 20 292 299\n3 140 24 292\n3 79 140 132\n3 199 132 12\n3 195 52 236\n3 12 195 199\n3 6 352 52\n3 163 96 73\n3 298 163 352\n3 212 224 0\n3 76 67 288\n3 0 224 288\n3 167 76 373\n3 167 373 69\n3 217 61 149\n3 204 124 149\n3 86 14 196\n3 110 120 124\n3 300 87 120\n3 196 87 86\n3 315 56 239\n3 128 239 14\n3 276 64 99\n3 64 40 194\n3 306 194 40\n3 276 99 317\n3 317 191 197\n3 197 191 56\n3 147 90 350\n3 318 147 340\n3 350 102 299\n3 306 272 168\n3 30 168 272\n3 233 94 28\n3 318 340 28\n3 233 30 94\n3 289 292 20\n3 102 20 299\n3 292 223 140\n3 132 140 12\n3 52 195 261\n3 223 195 12\n3 6 298 352\n3 52 234 6\n3 163 298 96\n3 224 81 288\n3 149 61 204\n3 110 124 204\n3 128 14 86\n3 110 300 120\n3 315 197 56\n3 128 315 239\n3 276 248 64\n3 64 248 40\n3 40 284 306\n3 315 317 197\n3 147 190 90\n3 350 90 102\n3 190 147 318\n3 39 272 306\n3 272 114 30\n3 28 94 318\n3 30 114 94\n3 292 289 188\n3 289 20 264\n3 264 20 102\n3 292 188 223\n3 223 12 140\n3 223 261 195\n3 261 122 52\n3 298 6 234\n3 234 52 122\n3 110 204 61\n3 110 84 300\n3 284 40 248\n3 39 306 284\n3 90 190 264\n3 102 90 264\n3 318 129 190\n3 359 272 39\n3 272 359 114\n3 318 94 49\n3 114 137 94\n3 264 62 289\n3 188 187 223\n3 223 307 261\n3 230 122 261\n3 61 58 110\n3 84 110 3\n3 284 117 39\n3 264 190 103\n3 54 129 318\n3 229 190 129\n3 359 39 243\n3 359 137 114\n3 49 94 222\n3 321 318 49\n3 137 26 94\n3 264 108 62\n3 223 187 307\n3 261 307 230\n3 58 3 110\n3 3 218 84\n3 243 39 117\n3 267 103 190\n3 264 103 108\n3 54 209 129\n3 54 318 321\n3 190 229 176\n3 129 192 229\n3 310 359 243\n3 137 359 310\n3 94 26 222\n3 49 222 321\n3 26 137 219\n3 80 307 187\n3 11 230 307\n3 3 60 218\n3 190 176 267\n3 209 54 266\n3 209 192 129\n3 22 54 321\n3 229 161 176\n3 161 229 192\n3 219 137 310\n3 26 285 222\n3 222 88 321\n3 285 26 219\n3 80 11 307\n3 218 60 9\n3 266 54 22\n3 209 266 173\n3 174 192 209\n3 70 22 321\n3 161 324 176\n3 192 208 161\n3 285 88 222\n3 70 321 88\n3 22 70 266\n3 97 173 266\n3 174 209 173\n3 192 174 208\n3 161 45 324\n3 71 161 208\n3 57 70 88\n3 57 266 70\n3 113 173 97\n3 97 266 5\n3 174 173 113\n3 208 174 215\n3 71 45 161\n3 324 45 155\n3 208 215 71\n3 57 5 266\n3 50 113 97\n3 113 215 174\n3 155 45 71\n3 71 215 155\n3 215 113 50\n" }, { "path": "data/4ivd_ligand.mol2", "content": "#\tName:\t\t\t4ivd_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:48:45 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:48:45 2018\n\n@MOLECULE\n4ivd_ligand\n 48 51 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 C1 10.9360 57.1740 -1.8440 C.3 1 UNNAMED 0.0000 \n 2 C2 9.9700 56.5840 -0.8150 C.3 1 UNNAMED 0.4600 \n 3 O4 10.6130 56.2930 0.4450 O.3 1 UNNAMED -0.6800 \n 4 C5 8.8450 57.5490 -0.5420 C.2 1 UNNAMED 0.0065 \n 5 N6 7.6750 57.2440 0.0900 N.pl3 1 UNNAMED 0.0476 \n 6 C7 6.9300 58.4180 0.1480 C.ar 1 UNNAMED -0.1516 \n 7 C8 7.7240 59.3940 -0.4850 C.ar 1 UNNAMED 0.2272 \n 8 N9 8.8660 58.7910 -0.8720 N.2 1 UNNAMED -0.5653 \n 9 C10 7.2640 60.7060 -0.6080 C.ar 1 UNNAMED 0.1600 \n 10 N11 6.0890 61.0690 -0.1470 N.ar 1 UNNAMED -0.5670 \n 11 C12 5.2820 60.1980 0.4530 C.ar 1 UNNAMED 0.1054 \n 12 C13 5.6680 58.8470 0.6280 C.ar 1 UNNAMED 0.0000 \n 13 C14 4.5470 58.2090 1.3050 C.2 1 UNNAMED -0.1500 \n 14 C15 3.5950 59.1410 1.4860 C.2 1 UNNAMED -0.3016 \n 15 N16 4.0400 60.3410 0.9860 N.pl3 1 UNNAMED 0.0332 \n 16 C18 7.3530 55.8940 0.5970 C.3 1 UNNAMED 0.2556 \n 17 C20 7.0900 55.9390 2.1100 C.3 1 UNNAMED 0.0000 \n 18 C21 6.8020 54.5180 2.6310 C.3 1 UNNAMED 0.0000 \n 19 C22 5.6480 53.8370 1.8670 C.3 1 UNNAMED 0.0000 \n 20 C24 5.9200 53.8370 0.3510 C.3 1 UNNAMED 0.0000 \n 21 C25 6.1650 55.2660 -0.1520 C.3 1 UNNAMED 0.0000 \n 22 C26 5.5420 52.4030 2.4220 C.3 1 UNNAMED 0.0000 \n 23 C27 4.1190 51.8240 2.3810 C.3 1 UNNAMED 0.2000 \n 24 C28 3.7990 51.3150 1.0390 C.1 1 UNNAMED 0.3571 \n 25 N29 3.6010 51.0020 -0.0390 N.1 1 UNNAMED -0.5571 \n 26 H1 10.3957 57.3756 -2.7807 H 1 UNNAMED 0.0000 \n 27 H2 11.7489 56.4583 -2.0364 H 1 UNNAMED 0.0000 \n 28 H3 11.3580 58.1124 -1.4549 H 1 UNNAMED 0.0000 \n 29 H4 9.5561 55.6511 -1.2254 H 1 UNNAMED 0.0000 \n 30 H5 9.9752 55.9302 1.0484 H 1 UNNAMED 0.4000 \n 31 H6 7.8916 61.4431 -1.0957 H 1 UNNAMED 0.1500 \n 32 H7 4.4903 57.1650 1.6097 H 1 UNNAMED 0.1500 \n 33 H8 2.6263 58.9719 1.9540 H 1 UNNAMED 0.1500 \n 34 H9 3.5083 61.2228 1.0115 H 1 UNNAMED 0.2700 \n 35 H10 8.2306 55.2535 0.4251 H 1 UNNAMED 0.0000 \n 36 H11 6.2224 56.5846 2.3110 H 1 UNNAMED 0.0000 \n 37 H12 7.9750 56.3438 2.6228 H 1 UNNAMED 0.0000 \n 38 H13 6.5335 54.5793 3.6959 H 1 UNNAMED 0.0000 \n 39 H14 7.7104 53.9083 2.5164 H 1 UNNAMED 0.0000 \n 40 H15 4.7082 54.3760 2.0570 H 1 UNNAMED 0.0000 \n 41 H16 5.0504 53.4133 -0.1727 H 1 UNNAMED 0.0000 \n 42 H17 6.8085 53.2229 0.1428 H 1 UNNAMED 0.0000 \n 43 H18 6.3870 55.2394 -1.2290 H 1 UNNAMED 0.0000 \n 44 H19 5.2638 55.8723 0.0218 H 1 UNNAMED 0.0000 \n 45 H20 5.8832 52.4100 3.4677 H 1 UNNAMED 0.0000 \n 46 H21 6.1984 51.7515 1.8265 H 1 UNNAMED 0.0000 \n 47 H22 3.4009 52.6135 2.6475 H 1 UNNAMED 0.0000 \n 48 H23 4.0441 51.0002 3.1061 H 1 UNNAMED 0.0000 \n@BOND\n 1 1 2 1 \n 2 2 3 1 \n 3 2 4 1 \n 4 4 5 1 \n 5 4 8 2 \n 6 5 6 1 \n 7 5 16 1 \n 8 6 7 ar \n 9 6 12 ar \n 10 7 8 1 \n 11 7 9 ar \n 12 9 10 ar \n 13 10 11 ar \n 14 11 12 ar \n 15 11 15 1 \n 16 12 13 1 \n 17 13 14 2 \n 18 14 15 1 \n 19 16 17 1 \n 20 16 21 1 \n 21 17 18 1 \n 22 18 19 1 \n 23 19 20 1 \n 24 19 22 1 \n 25 20 21 1 \n 26 22 23 1 \n 27 23 24 1 \n 28 24 25 3 \n 29 1 26 1 \n 30 1 27 1 \n 31 1 28 1 \n 32 2 29 1 \n 33 3 30 1 \n 34 9 31 1 \n 35 13 32 1 \n 36 14 33 1 \n 37 15 34 1 \n 38 16 35 1 \n 39 17 36 1 \n 40 17 37 1 \n 41 18 38 1 \n 42 18 39 1 \n 43 19 40 1 \n 44 20 41 1 \n 45 20 42 1 \n 46 21 43 1 \n 47 21 44 1 \n 48 22 45 1 \n 49 22 46 1 \n 50 23 47 1 \n 51 23 48 1 \n@SUBSTRUCTURE\n 1 UNNAMED 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 1 CR 2 CR 16 CR 17 CR 18 CR 19 CR 20 CR 21 CR 22 CR 23 CR 4 C5A \\\n14 C5A 6 C5A 11 C5A 13 C5B 7 C5B 12 C5B 9 CB 24 CSP 26 HC \\\n27 HC 28 HC 29 HC 31 HC 32 HC 33 HC 35 HC 36 HC 37 HC \\\n38 HC 39 HC 40 HC 41 HC 42 HC 43 HC 44 HC 45 HC 46 HC \\\n47 HC 48 HC 34 HPYL 30 HOR 3 OR 10 NPYD 5 NPYL 15 NPYL \\\n8 N5B 25 NSP \n" }, { "path": "data/4ivd_protein.pdb", "content": "HEADER 4IVD_PROTEIN \nCOMPND 4IVD_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 12-MAR-16 \nSEQRES 1 A 60 GLY ASP ILE VAL SER GLU LYS LYS PRO ALA THR GLU VAL \nSEQRES 2 A 60 ASP PRO THR HIS PHE GLU LYS ARG PHE LEU LYS ARG ILE \nSEQRES 3 A 60 ARG ASP LEU GLY GLU GLY HIS PHE GLY LYS VAL GLU LEU \nSEQRES 4 A 60 CYS ARG TYR ASP PRO GLU GLY ASP ASN THR GLY GLU GLN \nSEQRES 5 A 60 VAL ALA VAL LYS SER LEU LYS PRO \nSEQRES 1 A 28 HIS ILE ALA ASP LEU LYS LYS GLU ILE GLU ILE LEU ARG \nSEQRES 2 A 28 ASN LEU TYR HIS GLU ASN ILE VAL LYS TYR LYS GLY ILE \nSEQRES 3 A 28 CYS THR \nSEQRES 1 A 204 GLY ILE LYS LEU ILE MET GLU PHE LEU PRO SER GLY SER \nSEQRES 2 A 204 LEU LYS GLU TYR LEU PRO LYS ASN LYS ASN LYS ILE ASN \nSEQRES 3 A 204 LEU LYS GLN GLN LEU LYS TYR ALA VAL GLN ILE CYS LYS \nSEQRES 4 A 204 GLY MET ASP TYR LEU GLY SER ARG GLN TYR VAL HIS ARG \nSEQRES 5 A 204 ASP LEU ALA ALA ARG ASN VAL LEU VAL GLU SER GLU HIS \nSEQRES 6 A 204 GLN VAL LYS ILE GLY ASP PHE GLY LEU THR LYS ALA ILE \nSEQRES 7 A 204 GLU THR ASP LYS GLU PTR PTR THR VAL LYS ASP ASP ARG \nSEQRES 8 A 204 ASP SER PRO VAL PHE TRP TYR ALA PRO GLU CYS LEU MET \nSEQRES 9 A 204 GLN SER LYS PHE TYR ILE ALA SER ASP VAL TRP SER PHE \nSEQRES 10 A 204 GLY VAL THR LEU HIS GLU LEU LEU THR TYR CYS ASP SER \nSEQRES 11 A 204 ASP SER SER PRO MET ALA LEU PHE LEU LYS MET ILE GLY \nSEQRES 12 A 204 PRO THR HIS GLY GLN MET THR VAL THR ARG LEU VAL ASN \nSEQRES 13 A 204 THR LEU LYS GLU GLY LYS ARG LEU PRO CYS PRO PRO ASN \nSEQRES 14 A 204 CYS PRO ASP GLU VAL TYR GLN LEU MET ARG LYS CYS TRP \nSEQRES 15 A 204 GLU PHE GLN PRO SER ASN ARG THR SER PHE GLN ASN LEU \nSEQRES 16 A 204 ILE GLU GLY PHE GLU ALA LEU LEU LYS \nHET PTR A1034 16 \nHET PTR A1035 16 \nATOM 1 N GLY A 853 -47.360 65.881 -20.542 1.00 -0.82 N \nATOM 2 CA GLY A 853 -46.664 66.953 -21.309 1.00 0.04 C \nATOM 3 C GLY A 853 -45.181 66.673 -21.498 1.00 0.62 C \nATOM 4 O GLY A 853 -44.801 65.609 -21.985 1.00 -0.50 O \nATOM 5 HA3 GLY A 853 -47.135 67.039 -22.299 1.00 0.03 H \nATOM 6 HA2 GLY A 853 -46.776 67.903 -20.766 1.00 0.03 H \nATOM 7 H GLY A 853 -46.847 65.087 -20.214 1.00 0.30 H \nATOM 8 HNCA GLY A 853 -48.359 65.957 -20.351 1.00 0.30 H \nATOM 9 N ASP A 854 -44.345 67.633 -21.108 1.00 -0.52 N \nATOM 10 CA ASP A 854 -42.894 67.540 -21.299 1.00 0.04 C \nATOM 11 C ASP A 854 -42.265 66.410 -20.472 1.00 0.54 C \nATOM 12 O ASP A 854 -42.799 66.006 -19.436 1.00 -0.58 O \nATOM 13 CB ASP A 854 -42.218 68.874 -20.937 1.00 -0.03 C \nATOM 14 CG ASP A 854 -42.693 70.035 -21.798 1.00 0.80 C \nATOM 15 OD1 ASP A 854 -43.264 69.793 -22.886 1.00 -0.80 O \nATOM 16 OD2 ASP A 854 -42.483 71.197 -21.384 1.00 -0.80 O \nATOM 17 HA ASP A 854 -42.706 67.331 -22.362 1.00 0.09 H \nATOM 18 HB2 ASP A 854 -42.439 69.105 -19.885 1.00 -0.01 H \nATOM 19 HB3 ASP A 854 -41.131 68.763 -21.067 1.00 -0.01 H \nATOM 20 H ASP A 854 -44.721 68.449 -20.668 1.00 0.29 H \nATOM 21 N ILE A 855 -41.126 65.904 -20.940 1.00 -0.42 N \nATOM 22 CA ILE A 855 -40.366 64.897 -20.198 1.00 -0.06 C \nATOM 23 C ILE A 855 -40.100 65.462 -18.811 1.00 0.60 C \nATOM 24 O ILE A 855 -39.663 66.608 -18.688 1.00 -0.57 O \nATOM 25 CB ILE A 855 -38.987 64.594 -20.836 1.00 0.13 C \nATOM 26 CG1 ILE A 855 -39.122 63.969 -22.225 1.00 -0.04 C \nATOM 27 CG2 ILE A 855 -38.175 63.659 -19.952 1.00 -0.32 C \nATOM 28 CD1 ILE A 855 -39.320 64.989 -23.332 1.00 -0.07 C \nATOM 29 HA ILE A 855 -40.953 63.969 -20.133 1.00 0.09 H \nATOM 30 HB ILE A 855 -38.442 65.545 -20.935 1.00 0.02 H \nATOM 31 HG12 ILE A 855 -38.208 63.396 -22.439 1.00 0.02 H \nATOM 32 HG13 ILE A 855 -39.987 63.290 -22.219 1.00 0.02 H \nATOM 33 HD11 ILE A 855 -38.462 65.677 -23.354 1.00 0.02 H \nATOM 34 HD12 ILE A 855 -39.399 64.470 -24.299 1.00 0.02 H \nATOM 35 HD13 ILE A 855 -40.243 65.558 -23.145 1.00 0.02 H \nATOM 36 HG21 ILE A 855 -38.725 62.717 -19.813 1.00 0.09 H \nATOM 37 HG22 ILE A 855 -37.206 63.451 -20.430 1.00 0.09 H \nATOM 38 HG23 ILE A 855 -38.007 64.133 -18.974 1.00 0.09 H \nATOM 39 H ILE A 855 -40.780 66.221 -21.823 1.00 0.27 H \nATOM 40 N VAL A 856 -40.371 64.675 -17.772 1.00 -0.42 N \nATOM 41 CA VAL A 856 -40.011 65.091 -16.423 1.00 -0.09 C \nATOM 42 C VAL A 856 -38.620 64.568 -16.077 1.00 0.60 C \nATOM 43 O VAL A 856 -38.256 63.435 -16.412 1.00 -0.57 O \nATOM 44 CB VAL A 856 -41.050 64.675 -15.356 1.00 0.30 C \nATOM 45 CG1 VAL A 856 -42.417 65.255 -15.705 1.00 -0.32 C \nATOM 46 CG2 VAL A 856 -41.106 63.161 -15.190 1.00 -0.32 C \nATOM 47 HA VAL A 856 -39.967 66.190 -16.419 1.00 0.10 H \nATOM 48 HB VAL A 856 -40.737 65.104 -14.393 1.00 -0.03 H \nATOM 49 HG11 VAL A 856 -42.731 64.885 -16.692 1.00 0.08 H \nATOM 50 HG12 VAL A 856 -43.151 64.946 -14.947 1.00 0.08 H \nATOM 51 HG13 VAL A 856 -42.354 66.353 -15.728 1.00 0.08 H \nATOM 52 HG21 VAL A 856 -40.116 62.788 -14.887 1.00 0.08 H \nATOM 53 HG22 VAL A 856 -41.846 62.904 -14.418 1.00 0.08 H \nATOM 54 HG23 VAL A 856 -41.396 62.698 -16.145 1.00 0.08 H \nATOM 55 H VAL A 856 -40.823 63.795 -17.918 1.00 0.27 H \nATOM 56 N SER A 857 -37.838 65.426 -15.434 1.00 -0.42 N \nATOM 57 CA SER A 857 -36.501 65.082 -14.982 1.00 -0.02 C \nATOM 58 C SER A 857 -36.307 65.648 -13.579 1.00 0.60 C \nATOM 59 O SER A 857 -37.189 66.327 -13.047 1.00 -0.57 O \nATOM 60 CB SER A 857 -35.453 65.649 -15.941 1.00 0.21 C \nATOM 61 OG SER A 857 -35.383 67.061 -15.854 1.00 -0.65 O \nATOM 62 HA SER A 857 -36.398 63.987 -14.949 1.00 0.08 H \nATOM 63 HB2 SER A 857 -34.470 65.226 -15.688 1.00 0.04 H \nATOM 64 HB3 SER A 857 -35.720 65.367 -16.970 1.00 0.04 H \nATOM 65 HG SER A 857 -34.726 67.383 -16.459 1.00 0.43 H \nATOM 66 H SER A 857 -38.183 66.347 -15.253 1.00 0.27 H \nATOM 67 N GLU A 858 -35.154 65.373 -12.985 1.00 -0.52 N \nATOM 68 CA GLU A 858 -34.878 65.820 -11.628 1.00 0.04 C \nATOM 69 C GLU A 858 -34.226 67.205 -11.626 1.00 0.54 C \nATOM 70 O GLU A 858 -33.299 67.466 -12.392 1.00 -0.58 O \nATOM 71 CB GLU A 858 -34.008 64.781 -10.889 1.00 0.06 C \nATOM 72 CG GLU A 858 -33.379 65.268 -9.586 1.00 0.01 C \nATOM 73 CD GLU A 858 -32.799 64.150 -8.736 1.00 0.81 C \nATOM 74 OE1 GLU A 858 -32.729 62.987 -9.209 1.00 -0.82 O \nATOM 75 OE2 GLU A 858 -32.403 64.444 -7.583 1.00 -0.82 O \nATOM 76 HA GLU A 858 -35.837 65.900 -11.094 1.00 0.11 H \nATOM 77 HB2 GLU A 858 -34.640 63.911 -10.657 1.00 -0.02 H \nATOM 78 HB3 GLU A 858 -33.196 64.475 -11.565 1.00 -0.02 H \nATOM 79 HG2 GLU A 858 -32.571 65.973 -9.832 1.00 -0.04 H \nATOM 80 HG3 GLU A 858 -34.152 65.786 -8.999 1.00 -0.04 H \nATOM 81 H GLU A 858 -34.461 64.848 -13.479 1.00 0.29 H \nATOM 82 N LYS A 859 -34.746 68.090 -10.774 1.00 -0.35 N \nATOM 83 CA LYS A 859 -34.115 69.375 -10.466 1.00 -0.24 C \nATOM 84 C LYS A 859 -32.747 69.055 -9.878 1.00 0.73 C \nATOM 85 O LYS A 859 -32.642 68.219 -8.989 1.00 -0.59 O \nATOM 86 CB LYS A 859 -34.923 70.181 -9.428 1.00 -0.01 C \nATOM 87 CG LYS A 859 -36.446 70.131 -9.544 1.00 0.02 C \nATOM 88 CD LYS A 859 -37.131 70.838 -8.380 1.00 -0.05 C \nATOM 89 CE LYS A 859 -38.407 70.132 -7.944 1.00 -0.01 C \nATOM 90 NZ LYS A 859 -39.042 70.772 -6.754 1.00 -0.39 N \nATOM 91 HA LYS A 859 -34.009 69.968 -11.386 1.00 0.14 H \nATOM 92 HB2 LYS A 859 -34.653 69.802 -8.431 1.00 0.04 H \nATOM 93 HB3 LYS A 859 -34.618 71.234 -9.515 1.00 0.04 H \nATOM 94 HG2 LYS A 859 -36.747 70.619 -10.483 1.00 0.01 H \nATOM 95 HG3 LYS A 859 -36.767 69.079 -9.559 1.00 0.01 H \nATOM 96 HD2 LYS A 859 -36.436 70.871 -7.528 1.00 0.06 H \nATOM 97 HD3 LYS A 859 -37.382 71.864 -8.688 1.00 0.06 H \nATOM 98 HE2 LYS A 859 -39.123 70.152 -8.779 1.00 0.11 H \nATOM 99 HE3 LYS A 859 -38.164 69.089 -7.695 1.00 0.11 H \nATOM 100 HZ1 LYS A 859 -39.268 71.730 -6.969 1.00 0.34 H \nATOM 101 HZ2 LYS A 859 -39.885 70.273 -6.514 1.00 0.34 H \nATOM 102 HZ3 LYS A 859 -38.402 70.744 -5.976 1.00 0.34 H \nATOM 103 H LYS A 859 -35.610 67.865 -10.323 1.00 0.27 H \nATOM 104 N LYS A 860 -31.700 69.707 -10.367 1.00 -0.35 N \nATOM 105 CA LYS A 860 -30.346 69.387 -9.913 1.00 -0.24 C \nATOM 106 C LYS A 860 -29.974 70.199 -8.668 1.00 0.73 C \nATOM 107 O LYS A 860 -30.115 71.424 -8.662 1.00 -0.59 O \nATOM 108 CB LYS A 860 -29.324 69.599 -11.037 1.00 -0.01 C \nATOM 109 CG LYS A 860 -29.138 71.038 -11.503 1.00 0.02 C \nATOM 110 CD LYS A 860 -28.132 71.132 -12.638 1.00 -0.05 C \nATOM 111 CE LYS A 860 -28.640 70.469 -13.910 1.00 -0.01 C \nATOM 112 NZ LYS A 860 -27.732 70.723 -15.059 1.00 -0.39 N \nATOM 113 HA LYS A 860 -30.327 68.322 -9.637 1.00 0.14 H \nATOM 114 HB2 LYS A 860 -28.350 69.231 -10.681 1.00 0.04 H \nATOM 115 HB3 LYS A 860 -29.647 69.003 -11.903 1.00 0.04 H \nATOM 116 HG2 LYS A 860 -30.106 71.429 -11.850 1.00 0.01 H \nATOM 117 HG3 LYS A 860 -28.780 71.644 -10.657 1.00 0.01 H \nATOM 118 HD2 LYS A 860 -27.931 72.193 -12.847 1.00 0.06 H \nATOM 119 HD3 LYS A 860 -27.200 70.637 -12.328 1.00 0.06 H \nATOM 120 HE2 LYS A 860 -28.710 69.384 -13.744 1.00 0.11 H \nATOM 121 HE3 LYS A 860 -29.637 70.869 -14.148 1.00 0.11 H \nATOM 122 HZ1 LYS A 860 -26.814 70.363 -14.848 1.00 0.34 H \nATOM 123 HZ2 LYS A 860 -28.093 70.263 -15.880 1.00 0.34 H \nATOM 124 HZ3 LYS A 860 -27.673 71.715 -15.228 1.00 0.34 H \nATOM 125 H LYS A 860 -31.837 70.423 -11.051 1.00 0.27 H \nATOM 126 N PRO A 861 -29.527 69.519 -7.597 1.00 -0.25 N \nATOM 127 CA PRO A 861 -28.990 70.264 -6.457 1.00 -0.03 C \nATOM 128 C PRO A 861 -27.681 70.955 -6.834 1.00 0.59 C \nATOM 129 O PRO A 861 -26.883 70.382 -7.577 1.00 -0.57 O \nATOM 130 CB PRO A 861 -28.734 69.176 -5.403 1.00 -0.01 C \nATOM 131 CG PRO A 861 -29.525 67.991 -5.841 1.00 0.02 C \nATOM 132 CD PRO A 861 -29.573 68.068 -7.338 1.00 0.02 C \nATOM 133 HA PRO A 861 -29.713 71.008 -6.093 1.00 0.06 H \nATOM 134 HD3 PRO A 861 -30.502 67.626 -7.727 1.00 0.04 H \nATOM 135 HD2 PRO A 861 -28.708 67.558 -7.788 1.00 0.04 H \nATOM 136 HG3 PRO A 861 -30.541 68.032 -5.422 1.00 0.02 H \nATOM 137 HG2 PRO A 861 -29.033 67.061 -5.520 1.00 0.02 H \nATOM 138 HB2 PRO A 861 -27.663 68.928 -5.361 1.00 0.03 H \nATOM 139 HB3 PRO A 861 -29.070 69.516 -4.412 1.00 0.03 H \nATOM 140 N ALA A 862 -27.469 72.174 -6.343 1.00 -0.42 N \nATOM 141 CA ALA A 862 -26.197 72.869 -6.553 1.00 0.03 C \nATOM 142 C ALA A 862 -25.064 72.046 -5.937 1.00 0.60 C \nATOM 143 O ALA A 862 -25.077 71.767 -4.738 1.00 -0.57 O \nATOM 144 CB ALA A 862 -26.236 74.262 -5.940 1.00 -0.18 C \nATOM 145 HA ALA A 862 -26.020 72.966 -7.634 1.00 0.08 H \nATOM 146 HB1 ALA A 862 -25.272 74.764 -6.110 1.00 0.06 H \nATOM 147 HB2 ALA A 862 -27.041 74.846 -6.409 1.00 0.06 H \nATOM 148 HB3 ALA A 862 -26.423 74.182 -4.859 1.00 0.06 H \nATOM 149 H ALA A 862 -28.193 72.624 -5.820 1.00 0.27 H \nATOM 150 N THR A 863 -24.095 71.654 -6.760 1.00 -0.42 N \nATOM 151 CA THR A 863 -23.035 70.741 -6.330 1.00 -0.04 C \nATOM 152 C THR A 863 -21.779 71.491 -5.896 1.00 0.60 C \nATOM 153 O THR A 863 -21.086 72.072 -6.728 1.00 -0.57 O \nATOM 154 CB THR A 863 -22.654 69.760 -7.458 1.00 0.37 C \nATOM 155 OG1 THR A 863 -22.236 70.495 -8.615 1.00 -0.68 O \nATOM 156 CG2 THR A 863 -23.838 68.872 -7.824 1.00 -0.24 C \nATOM 157 HA THR A 863 -23.411 70.163 -5.473 1.00 0.10 H \nATOM 158 HB THR A 863 -21.824 69.125 -7.114 1.00 0.00 H \nATOM 159 HG1 THR A 863 -22.002 69.889 -9.308 1.00 0.41 H \nATOM 160 HG23 THR A 863 -23.737 67.900 -7.319 1.00 0.06 H \nATOM 161 HG21 THR A 863 -24.772 69.356 -7.504 1.00 0.06 H \nATOM 162 HG22 THR A 863 -23.859 68.719 -8.913 1.00 0.06 H \nATOM 163 H THR A 863 -24.091 71.993 -7.701 1.00 0.27 H \nATOM 164 N GLU A 864 -21.499 71.479 -4.593 1.00 -0.52 N \nATOM 165 CA GLU A 864 -20.247 72.030 -4.061 1.00 0.04 C \nATOM 166 C GLU A 864 -19.090 71.089 -4.369 1.00 0.54 C \nATOM 167 O GLU A 864 -19.304 69.911 -4.662 1.00 -0.58 O \nATOM 168 CB GLU A 864 -20.339 72.226 -2.548 1.00 0.06 C \nATOM 169 CG GLU A 864 -21.151 73.438 -2.122 1.00 0.01 C \nATOM 170 CD GLU A 864 -21.247 73.579 -0.613 1.00 0.81 C \nATOM 171 OE1 GLU A 864 -21.000 72.586 0.105 1.00 -0.82 O \nATOM 172 OE2 GLU A 864 -21.573 74.688 -0.141 1.00 -0.82 O \nATOM 173 HA GLU A 864 -20.057 73.003 -4.537 1.00 0.11 H \nATOM 174 HB2 GLU A 864 -20.804 71.329 -2.112 1.00 -0.02 H \nATOM 175 HB3 GLU A 864 -19.319 72.339 -2.153 1.00 -0.02 H \nATOM 176 HG2 GLU A 864 -20.675 74.342 -2.530 1.00 -0.04 H \nATOM 177 HG3 GLU A 864 -22.167 73.342 -2.532 1.00 -0.04 H \nATOM 178 H GLU A 864 -22.162 71.082 -3.958 1.00 0.29 H \nATOM 179 N VAL A 865 -17.866 71.604 -4.306 1.00 -0.42 N \nATOM 180 CA VAL A 865 -16.687 70.754 -4.474 1.00 -0.09 C \nATOM 181 C VAL A 865 -16.186 70.288 -3.111 1.00 0.60 C \nATOM 182 O VAL A 865 -16.187 71.046 -2.141 1.00 -0.57 O \nATOM 183 CB VAL A 865 -15.540 71.447 -5.243 1.00 0.30 C \nATOM 184 CG1 VAL A 865 -14.900 72.552 -4.408 1.00 -0.32 C \nATOM 185 CG2 VAL A 865 -14.493 70.420 -5.661 1.00 -0.32 C \nATOM 186 HA VAL A 865 -16.992 69.870 -5.053 1.00 0.10 H \nATOM 187 HB VAL A 865 -15.961 71.903 -6.151 1.00 -0.03 H \nATOM 188 HG11 VAL A 865 -14.499 72.123 -3.478 1.00 0.08 H \nATOM 189 HG12 VAL A 865 -14.083 73.017 -4.979 1.00 0.08 H \nATOM 190 HG13 VAL A 865 -15.656 73.313 -4.165 1.00 0.08 H \nATOM 191 HG21 VAL A 865 -14.961 69.659 -6.303 1.00 0.08 H \nATOM 192 HG22 VAL A 865 -13.687 70.923 -6.216 1.00 0.08 H \nATOM 193 HG23 VAL A 865 -14.075 69.937 -4.765 1.00 0.08 H \nATOM 194 H VAL A 865 -17.750 72.584 -4.142 1.00 0.27 H \nATOM 195 N ASP A 866 -15.795 69.020 -3.049 1.00 -0.52 N \nATOM 196 CA ASP A 866 -15.122 68.466 -1.886 1.00 0.04 C \nATOM 197 C ASP A 866 -13.635 68.505 -2.218 1.00 0.54 C \nATOM 198 O ASP A 866 -13.206 67.828 -3.158 1.00 -0.58 O \nATOM 199 CB ASP A 866 -15.587 67.028 -1.644 1.00 -0.03 C \nATOM 200 CG ASP A 866 -14.893 66.365 -0.459 1.00 0.80 C \nATOM 201 OD1 ASP A 866 -13.955 66.945 0.127 1.00 -0.80 O \nATOM 202 OD2 ASP A 866 -15.285 65.237 -0.120 1.00 -0.80 O \nATOM 203 HA ASP A 866 -15.331 69.074 -0.994 1.00 0.09 H \nATOM 204 HB2 ASP A 866 -16.670 67.038 -1.454 1.00 -0.01 H \nATOM 205 HB3 ASP A 866 -15.378 66.436 -2.547 1.00 -0.01 H \nATOM 206 H ASP A 866 -15.970 68.424 -3.832 1.00 0.29 H \nATOM 207 N PRO A 867 -12.846 69.287 -1.457 1.00 -0.25 N \nATOM 208 CA PRO A 867 -11.409 69.401 -1.740 1.00 -0.03 C \nATOM 209 C PRO A 867 -10.650 68.117 -1.400 1.00 0.59 C \nATOM 210 O PRO A 867 -9.473 67.977 -1.741 1.00 -0.57 O \nATOM 211 CB PRO A 867 -10.966 70.560 -0.840 1.00 -0.01 C \nATOM 212 CG PRO A 867 -11.923 70.539 0.298 1.00 0.02 C \nATOM 213 CD PRO A 867 -13.233 70.052 -0.254 1.00 0.02 C \nATOM 214 HA PRO A 867 -11.243 69.645 -2.800 1.00 0.06 H \nATOM 215 HD3 PRO A 867 -13.885 70.897 -0.520 1.00 0.04 H \nATOM 216 HD2 PRO A 867 -13.748 69.406 0.472 1.00 0.04 H \nATOM 217 HG3 PRO A 867 -12.039 71.550 0.715 1.00 0.02 H \nATOM 218 HG2 PRO A 867 -11.565 69.857 1.083 1.00 0.02 H \nATOM 219 HB2 PRO A 867 -9.937 70.404 -0.485 1.00 0.03 H \nATOM 220 HB3 PRO A 867 -11.026 71.516 -1.380 1.00 0.03 H \nATOM 221 N THR A 868 -11.326 67.179 -0.750 1.00 -0.42 N \nATOM 222 CA THR A 868 -10.714 65.900 -0.414 1.00 -0.04 C \nATOM 223 C THR A 868 -11.129 64.794 -1.380 1.00 0.60 C \nATOM 224 O THR A 868 -10.813 63.635 -1.152 1.00 -0.57 O \nATOM 225 CB THR A 868 -11.009 65.473 1.045 1.00 0.37 C \nATOM 226 OG1 THR A 868 -12.389 65.113 1.201 1.00 -0.68 O \nATOM 227 CG2 THR A 868 -10.631 66.585 2.037 1.00 -0.24 C \nATOM 228 HA THR A 868 -9.625 66.028 -0.506 1.00 0.10 H \nATOM 229 HB THR A 868 -10.395 64.589 1.272 1.00 0.00 H \nATOM 230 HG1 THR A 868 -12.549 64.855 2.101 1.00 0.41 H \nATOM 231 HG23 THR A 868 -9.642 66.371 2.468 1.00 0.06 H \nATOM 232 HG21 THR A 868 -10.601 67.551 1.511 1.00 0.06 H \nATOM 233 HG22 THR A 868 -11.380 66.628 2.842 1.00 0.06 H \nATOM 234 H THR A 868 -12.274 67.353 -0.485 1.00 0.27 H \nATOM 235 N HIS A 869 -11.826 65.150 -2.454 1.00 -0.42 N \nATOM 236 CA HIS A 869 -12.211 64.177 -3.446 1.00 0.02 C \nATOM 237 C HIS A 869 -11.435 64.406 -4.693 1.00 0.60 C \nATOM 238 O HIS A 869 -11.581 65.431 -5.337 1.00 -0.57 O \nATOM 239 CB HIS A 869 -13.701 64.217 -3.762 1.00 -0.05 C \nATOM 240 CG HIS A 869 -14.123 63.132 -4.719 1.00 -0.03 C \nATOM 241 ND1 HIS A 869 -14.285 63.350 -6.034 1.00 -0.38 N \nATOM 242 CD2 HIS A 869 -14.358 61.769 -4.513 1.00 0.13 C \nATOM 243 CE1 HIS A 869 -14.642 62.200 -6.638 1.00 0.21 C \nATOM 244 NE2 HIS A 869 -14.681 61.233 -5.706 1.00 -0.57 N \nATOM 245 HA HIS A 869 -11.970 63.177 -3.057 1.00 0.09 H \nATOM 246 HB2 HIS A 869 -14.263 64.097 -2.824 1.00 0.04 H \nATOM 247 HB3 HIS A 869 -13.940 65.193 -4.210 1.00 0.04 H \nATOM 248 HD2 HIS A 869 -14.292 61.239 -3.564 1.00 0.11 H \nATOM 249 HE1 HIS A 869 -14.861 62.076 -7.698 1.00 0.14 H \nATOM 250 HD1 HIS A 869 -14.156 64.256 -6.507 1.00 0.36 H \nATOM 251 H HIS A 869 -12.088 66.107 -2.576 1.00 0.27 H \nATOM 252 N PHE A 870 -10.610 63.426 -5.042 1.00 -0.42 N \nATOM 253 CA PHE A 870 -9.750 63.495 -6.204 1.00 -0.00 C \nATOM 254 C PHE A 870 -10.372 62.622 -7.295 1.00 0.60 C \nATOM 255 O PHE A 870 -10.610 61.420 -7.103 1.00 -0.57 O \nATOM 256 CB PHE A 870 -8.337 63.018 -5.827 1.00 -0.03 C \nATOM 257 CG PHE A 870 -7.578 63.992 -4.953 1.00 0.01 C \nATOM 258 CD1 PHE A 870 -7.871 64.111 -3.594 1.00 -0.13 C \nATOM 259 CD2 PHE A 870 -6.571 64.785 -5.483 1.00 -0.13 C \nATOM 260 CE1 PHE A 870 -7.192 65.024 -2.795 1.00 -0.17 C \nATOM 261 CE2 PHE A 870 -5.877 65.688 -4.685 1.00 -0.17 C \nATOM 262 CZ PHE A 870 -6.187 65.809 -3.342 1.00 -0.11 C \nATOM 263 HA PHE A 870 -9.691 64.534 -6.561 1.00 0.10 H \nATOM 264 HB2 PHE A 870 -8.425 62.064 -5.287 1.00 0.03 H \nATOM 265 HB3 PHE A 870 -7.764 62.864 -6.753 1.00 0.03 H \nATOM 266 HD2 PHE A 870 -6.321 64.700 -6.534 1.00 0.13 H \nATOM 267 HE2 PHE A 870 -5.092 66.298 -5.116 1.00 0.14 H \nATOM 268 HZ PHE A 870 -5.647 66.514 -2.720 1.00 0.13 H \nATOM 269 HE1 PHE A 870 -7.447 65.122 -1.746 1.00 0.14 H \nATOM 270 HD1 PHE A 870 -8.638 63.483 -3.155 1.00 0.13 H \nATOM 271 H PHE A 870 -10.582 62.602 -4.476 1.00 0.27 H \nATOM 272 N GLU A 871 -10.655 63.235 -8.430 1.00 -0.52 N \nATOM 273 CA GLU A 871 -11.245 62.525 -9.557 1.00 0.04 C \nATOM 274 C GLU A 871 -10.192 61.682 -10.266 1.00 0.54 C \nATOM 275 O GLU A 871 -9.104 62.162 -10.611 1.00 -0.58 O \nATOM 276 CB GLU A 871 -11.839 63.507 -10.558 1.00 0.06 C \nATOM 277 CG GLU A 871 -13.040 64.292 -10.060 1.00 0.01 C \nATOM 278 CD GLU A 871 -13.685 65.091 -11.177 1.00 0.81 C \nATOM 279 OE1 GLU A 871 -14.173 64.465 -12.143 1.00 -0.82 O \nATOM 280 OE2 GLU A 871 -13.692 66.341 -11.101 1.00 -0.82 O \nATOM 281 HA GLU A 871 -12.042 61.866 -9.182 1.00 0.11 H \nATOM 282 HB2 GLU A 871 -11.054 64.226 -10.836 1.00 -0.02 H \nATOM 283 HB3 GLU A 871 -12.149 62.940 -11.448 1.00 -0.02 H \nATOM 284 HG2 GLU A 871 -13.780 63.590 -9.649 1.00 -0.04 H \nATOM 285 HG3 GLU A 871 -12.712 64.983 -9.270 1.00 -0.04 H \nATOM 286 H GLU A 871 -10.459 64.212 -8.518 1.00 0.29 H \nATOM 287 N LYS A 872 -10.528 60.423 -10.500 1.00 -0.35 N \nATOM 288 CA LYS A 872 -9.615 59.502 -11.160 1.00 -0.24 C \nATOM 289 C LYS A 872 -9.104 60.059 -12.484 1.00 0.73 C \nATOM 290 O LYS A 872 -7.924 59.925 -12.775 1.00 -0.59 O \nATOM 291 CB LYS A 872 -10.266 58.134 -11.380 1.00 -0.01 C \nATOM 292 CG LYS A 872 -9.274 57.071 -11.828 1.00 0.02 C \nATOM 293 CD LYS A 872 -9.958 55.835 -12.392 1.00 -0.05 C \nATOM 294 CE LYS A 872 -8.924 54.787 -12.780 1.00 -0.01 C \nATOM 295 NZ LYS A 872 -9.438 53.852 -13.815 1.00 -0.39 N \nATOM 296 HA LYS A 872 -8.748 59.362 -10.497 1.00 0.14 H \nATOM 297 HB2 LYS A 872 -10.726 57.809 -10.436 1.00 0.04 H \nATOM 298 HB3 LYS A 872 -11.044 58.235 -12.151 1.00 0.04 H \nATOM 299 HG2 LYS A 872 -8.624 57.500 -12.605 1.00 0.01 H \nATOM 300 HG3 LYS A 872 -8.663 56.772 -10.963 1.00 0.01 H \nATOM 301 HD2 LYS A 872 -10.632 55.415 -11.631 1.00 0.06 H \nATOM 302 HD3 LYS A 872 -10.540 56.117 -13.282 1.00 0.06 H \nATOM 303 HE2 LYS A 872 -8.032 55.297 -13.174 1.00 0.11 H \nATOM 304 HE3 LYS A 872 -8.651 54.210 -11.885 1.00 0.11 H \nATOM 305 HZ1 LYS A 872 -9.695 54.372 -14.640 1.00 0.34 H \nATOM 306 HZ2 LYS A 872 -8.721 53.183 -14.049 1.00 0.34 H \nATOM 307 HZ3 LYS A 872 -10.247 53.367 -13.458 1.00 0.34 H \nATOM 308 H LYS A 872 -11.430 60.097 -10.217 1.00 0.27 H \nATOM 309 N ARG A 873 -9.958 60.723 -13.265 1.00 -0.35 N \nATOM 310 CA ARG A 873 -9.533 61.180 -14.591 1.00 -0.26 C \nATOM 311 C ARG A 873 -8.427 62.247 -14.576 1.00 0.73 C \nATOM 312 O ARG A 873 -7.781 62.457 -15.593 1.00 -0.59 O \nATOM 313 CB ARG A 873 -10.717 61.675 -15.420 1.00 -0.00 C \nATOM 314 CG ARG A 873 -11.291 62.999 -14.972 1.00 0.04 C \nATOM 315 CD ARG A 873 -12.465 63.412 -15.831 1.00 0.05 C \nATOM 316 NE ARG A 873 -13.291 64.383 -15.124 1.00 -0.53 N \nATOM 317 CZ ARG A 873 -13.868 65.443 -15.681 1.00 0.81 C \nATOM 318 NH1 ARG A 873 -13.716 65.700 -16.977 1.00 -0.86 N \nATOM 319 NH2 ARG A 873 -14.596 66.258 -14.928 1.00 -0.86 N \nATOM 320 HA ARG A 873 -9.118 60.300 -15.104 1.00 0.16 H \nATOM 321 HB2 ARG A 873 -10.385 61.781 -16.463 1.00 0.03 H \nATOM 322 HB3 ARG A 873 -11.514 60.919 -15.364 1.00 0.03 H \nATOM 323 HG2 ARG A 873 -11.626 62.909 -13.928 1.00 0.03 H \nATOM 324 HG3 ARG A 873 -10.509 63.770 -15.041 1.00 0.03 H \nATOM 325 HD2 ARG A 873 -12.092 63.862 -16.763 1.00 0.07 H \nATOM 326 HD3 ARG A 873 -13.071 62.525 -16.069 1.00 0.07 H \nATOM 327 HE ARG A 873 -13.439 64.236 -14.115 1.00 0.35 H \nATOM 328 HH12 ARG A 873 -14.169 66.525 -17.395 1.00 0.45 H \nATOM 329 HH11 ARG A 873 -13.145 65.074 -17.563 1.00 0.45 H \nATOM 330 HH22 ARG A 873 -15.048 67.082 -15.349 1.00 0.45 H \nATOM 331 HH21 ARG A 873 -14.709 66.066 -13.922 1.00 0.45 H \nATOM 332 H ARG A 873 -10.887 60.909 -12.946 1.00 0.27 H \nATOM 333 N PHE A 874 -8.199 62.915 -13.442 1.00 -0.42 N \nATOM 334 CA PHE A 874 -7.148 63.951 -13.361 1.00 -0.00 C \nATOM 335 C PHE A 874 -5.904 63.501 -12.596 1.00 0.60 C \nATOM 336 O PHE A 874 -4.918 64.230 -12.519 1.00 -0.57 O \nATOM 337 CB PHE A 874 -7.708 65.222 -12.717 1.00 -0.03 C \nATOM 338 CG PHE A 874 -8.847 65.856 -13.483 1.00 0.01 C \nATOM 339 CD1 PHE A 874 -8.761 66.055 -14.860 1.00 -0.13 C \nATOM 340 CD2 PHE A 874 -9.996 66.283 -12.820 1.00 -0.13 C \nATOM 341 CE1 PHE A 874 -9.804 66.644 -15.553 1.00 -0.17 C \nATOM 342 CE2 PHE A 874 -11.036 66.886 -13.515 1.00 -0.17 C \nATOM 343 CZ PHE A 874 -10.939 67.060 -14.880 1.00 -0.11 C \nATOM 344 HA PHE A 874 -6.839 64.191 -14.389 1.00 0.10 H \nATOM 345 HB2 PHE A 874 -8.069 64.968 -11.710 1.00 0.03 H \nATOM 346 HB3 PHE A 874 -6.893 65.957 -12.640 1.00 0.03 H \nATOM 347 HD2 PHE A 874 -10.079 66.143 -11.748 1.00 0.13 H \nATOM 348 HE2 PHE A 874 -11.922 67.219 -12.986 1.00 0.14 H \nATOM 349 HZ PHE A 874 -11.753 67.523 -15.426 1.00 0.13 H \nATOM 350 HE1 PHE A 874 -9.732 66.780 -16.626 1.00 0.14 H \nATOM 351 HD1 PHE A 874 -7.869 65.746 -15.393 1.00 0.13 H \nATOM 352 H PHE A 874 -8.750 62.710 -12.633 1.00 0.27 H \nATOM 353 N LEU A 875 -5.946 62.303 -12.029 1.00 -0.42 N \nATOM 354 CA LEU A 875 -4.853 61.800 -11.200 1.00 -0.05 C \nATOM 355 C LEU A 875 -3.898 60.988 -12.078 1.00 0.60 C \nATOM 356 O LEU A 875 -4.195 59.856 -12.456 1.00 -0.57 O \nATOM 357 CB LEU A 875 -5.428 60.971 -10.060 1.00 -0.11 C \nATOM 358 CG LEU A 875 -4.555 60.597 -8.865 1.00 0.35 C \nATOM 359 CD1 LEU A 875 -4.087 61.823 -8.091 1.00 -0.41 C \nATOM 360 CD2 LEU A 875 -5.350 59.662 -7.970 1.00 -0.41 C \nATOM 361 HA LEU A 875 -4.301 62.650 -10.772 1.00 0.09 H \nATOM 362 HB2 LEU A 875 -6.286 61.533 -9.662 1.00 0.05 H \nATOM 363 HB3 LEU A 875 -5.781 60.027 -10.502 1.00 0.05 H \nATOM 364 HG LEU A 875 -3.665 60.065 -9.233 1.00 -0.04 H \nATOM 365 HD21 LEU A 875 -5.633 58.763 -8.538 1.00 0.10 H \nATOM 366 HD22 LEU A 875 -4.735 59.371 -7.106 1.00 0.10 H \nATOM 367 HD23 LEU A 875 -6.257 60.175 -7.618 1.00 0.10 H \nATOM 368 HD11 LEU A 875 -4.961 62.382 -7.726 1.00 0.10 H \nATOM 369 HD12 LEU A 875 -3.472 61.504 -7.236 1.00 0.10 H \nATOM 370 HD13 LEU A 875 -3.490 62.468 -8.752 1.00 0.10 H \nATOM 371 H LEU A 875 -6.750 61.726 -12.173 1.00 0.27 H \nATOM 372 N LYS A 876 -2.766 61.596 -12.427 1.00 -0.35 N \nATOM 373 CA LYS A 876 -1.845 61.044 -13.415 1.00 -0.24 C \nATOM 374 C LYS A 876 -0.554 60.514 -12.810 1.00 0.73 C \nATOM 375 O LYS A 876 0.191 61.250 -12.162 1.00 -0.59 O \nATOM 376 CB LYS A 876 -1.517 62.103 -14.476 1.00 -0.01 C \nATOM 377 CG LYS A 876 -2.707 62.535 -15.334 1.00 0.02 C \nATOM 378 CD LYS A 876 -3.414 61.343 -15.971 1.00 -0.05 C \nATOM 379 CE LYS A 876 -4.706 61.728 -16.670 1.00 -0.01 C \nATOM 380 NZ LYS A 876 -5.542 60.519 -16.944 1.00 -0.39 N \nATOM 381 HA LYS A 876 -2.353 60.203 -13.910 1.00 0.14 H \nATOM 382 HB2 LYS A 876 -1.123 62.993 -13.963 1.00 0.04 H \nATOM 383 HB3 LYS A 876 -0.744 61.693 -15.143 1.00 0.04 H \nATOM 384 HG2 LYS A 876 -3.424 63.076 -14.700 1.00 0.01 H \nATOM 385 HG3 LYS A 876 -2.347 63.202 -16.131 1.00 0.01 H \nATOM 386 HD2 LYS A 876 -2.738 60.887 -16.709 1.00 0.06 H \nATOM 387 HD3 LYS A 876 -3.645 60.610 -15.184 1.00 0.06 H \nATOM 388 HE2 LYS A 876 -5.271 62.419 -16.028 1.00 0.11 H \nATOM 389 HE3 LYS A 876 -4.467 62.224 -17.622 1.00 0.11 H \nATOM 390 HZ1 LYS A 876 -5.759 60.056 -16.075 1.00 0.34 H \nATOM 391 HZ2 LYS A 876 -6.397 60.798 -17.399 1.00 0.34 H \nATOM 392 HZ3 LYS A 876 -5.033 59.888 -17.543 1.00 0.34 H \nATOM 393 H LYS A 876 -2.537 62.468 -11.994 1.00 0.27 H \nATOM 394 N ARG A 877 -0.297 59.233 -13.050 1.00 -0.35 N \nATOM 395 CA ARG A 877 0.819 58.529 -12.446 1.00 -0.26 C \nATOM 396 C ARG A 877 2.116 59.014 -13.062 1.00 0.73 C \nATOM 397 O ARG A 877 2.246 59.047 -14.279 1.00 -0.59 O \nATOM 398 CB ARG A 877 0.663 57.010 -12.621 1.00 -0.00 C \nATOM 399 CG ARG A 877 1.874 56.202 -12.184 1.00 0.04 C \nATOM 400 CD ARG A 877 1.656 54.714 -12.397 1.00 0.05 C \nATOM 401 NE ARG A 877 2.798 53.908 -11.952 1.00 -0.53 N \nATOM 402 CZ ARG A 877 3.984 53.860 -12.562 1.00 0.81 C \nATOM 403 NH1 ARG A 877 4.227 54.588 -13.651 1.00 -0.86 N \nATOM 404 NH2 ARG A 877 4.946 53.083 -12.074 1.00 -0.86 N \nATOM 405 HA ARG A 877 0.836 58.754 -11.369 1.00 0.16 H \nATOM 406 HB2 ARG A 877 -0.203 56.682 -12.027 1.00 0.03 H \nATOM 407 HB3 ARG A 877 0.477 56.803 -13.685 1.00 0.03 H \nATOM 408 HG2 ARG A 877 2.748 56.523 -12.770 1.00 0.03 H \nATOM 409 HG3 ARG A 877 2.061 56.387 -11.116 1.00 0.03 H \nATOM 410 HD2 ARG A 877 0.764 54.404 -11.832 1.00 0.07 H \nATOM 411 HD3 ARG A 877 1.493 54.532 -13.469 1.00 0.07 H \nATOM 412 HE ARG A 877 2.675 53.336 -11.104 1.00 0.35 H \nATOM 413 HH12 ARG A 877 5.148 54.538 -14.109 1.00 0.45 H \nATOM 414 HH11 ARG A 877 3.493 55.201 -14.035 1.00 0.45 H \nATOM 415 HH22 ARG A 877 5.863 53.043 -12.542 1.00 0.45 H \nATOM 416 HH21 ARG A 877 4.775 52.521 -11.228 1.00 0.45 H \nATOM 417 H ARG A 877 -0.898 58.733 -13.673 1.00 0.27 H \nATOM 418 N ILE A 878 3.059 59.417 -12.210 1.00 -0.42 N \nATOM 419 CA ILE A 878 4.419 59.743 -12.643 1.00 -0.06 C \nATOM 420 C ILE A 878 5.372 58.555 -12.436 1.00 0.60 C \nATOM 421 O ILE A 878 6.055 58.144 -13.376 1.00 -0.57 O \nATOM 422 CB ILE A 878 4.969 60.989 -11.924 1.00 0.13 C \nATOM 423 CG1 ILE A 878 4.119 62.208 -12.279 1.00 -0.04 C \nATOM 424 CG2 ILE A 878 6.425 61.219 -12.294 1.00 -0.32 C \nATOM 425 CD1 ILE A 878 4.561 63.496 -11.613 1.00 -0.07 C \nATOM 426 HA ILE A 878 4.381 59.964 -13.720 1.00 0.09 H \nATOM 427 HB ILE A 878 4.908 60.824 -10.838 1.00 0.02 H \nATOM 428 HG12 ILE A 878 4.162 62.352 -13.369 1.00 0.02 H \nATOM 429 HG13 ILE A 878 3.081 62.003 -11.977 1.00 0.02 H \nATOM 430 HD11 ILE A 878 5.597 63.722 -11.904 1.00 0.02 H \nATOM 431 HD12 ILE A 878 3.903 64.318 -11.931 1.00 0.02 H \nATOM 432 HD13 ILE A 878 4.503 63.382 -10.520 1.00 0.02 H \nATOM 433 HG21 ILE A 878 6.509 61.358 -13.382 1.00 0.09 H \nATOM 434 HG22 ILE A 878 6.797 62.118 -11.780 1.00 0.09 H \nATOM 435 HG23 ILE A 878 7.023 60.348 -11.988 1.00 0.09 H \nATOM 436 H ILE A 878 2.829 59.500 -11.240 1.00 0.27 H \nATOM 437 N ARG A 879 5.424 58.003 -11.222 1.00 -0.35 N \nATOM 438 CA ARG A 879 6.314 56.865 -10.943 1.00 -0.26 C \nATOM 439 C ARG A 879 6.023 56.209 -9.607 1.00 0.73 C \nATOM 440 O ARG A 879 5.319 56.776 -8.778 1.00 -0.59 O \nATOM 441 CB ARG A 879 7.791 57.306 -10.974 1.00 -0.00 C \nATOM 442 CG ARG A 879 8.187 58.320 -9.902 1.00 0.04 C \nATOM 443 CD ARG A 879 9.648 58.734 -10.040 1.00 0.05 C \nATOM 444 NE ARG A 879 9.957 59.882 -9.193 1.00 -0.53 N \nATOM 445 CZ ARG A 879 10.471 59.817 -7.964 1.00 0.81 C \nATOM 446 NH1 ARG A 879 10.778 58.646 -7.397 1.00 -0.86 N \nATOM 447 NH2 ARG A 879 10.698 60.940 -7.294 1.00 -0.86 N \nATOM 448 HA ARG A 879 6.157 56.115 -11.733 1.00 0.16 H \nATOM 449 HB2 ARG A 879 8.417 56.411 -10.844 1.00 0.03 H \nATOM 450 HB3 ARG A 879 7.992 57.754 -11.958 1.00 0.03 H \nATOM 451 HG2 ARG A 879 7.551 59.212 -10.001 1.00 0.03 H \nATOM 452 HG3 ARG A 879 8.035 57.870 -8.910 1.00 0.03 H \nATOM 453 HD2 ARG A 879 10.289 57.890 -9.747 1.00 0.07 H \nATOM 454 HD3 ARG A 879 9.848 58.999 -11.089 1.00 0.07 H \nATOM 455 HE ARG A 879 9.762 60.818 -9.576 1.00 0.35 H \nATOM 456 HH12 ARG A 879 11.174 58.622 -6.446 1.00 0.45 H \nATOM 457 HH11 ARG A 879 10.619 57.768 -7.911 1.00 0.45 H \nATOM 458 HH22 ARG A 879 11.095 60.902 -6.344 1.00 0.45 H \nATOM 459 HH21 ARG A 879 10.477 61.850 -7.724 1.00 0.45 H \nATOM 460 H ARG A 879 4.849 58.369 -10.490 1.00 0.27 H \nATOM 461 N ASP A 880 6.592 55.025 -9.397 1.00 -0.52 N \nATOM 462 CA ASP A 880 6.482 54.327 -8.125 1.00 0.04 C \nATOM 463 C ASP A 880 7.379 54.964 -7.064 1.00 0.54 C \nATOM 464 O ASP A 880 8.503 55.394 -7.356 1.00 -0.58 O \nATOM 465 CB ASP A 880 6.863 52.851 -8.273 1.00 -0.03 C \nATOM 466 CG ASP A 880 5.906 52.083 -9.172 1.00 0.80 C \nATOM 467 OD1 ASP A 880 4.781 52.572 -9.420 1.00 -0.80 O \nATOM 468 OD2 ASP A 880 6.280 50.988 -9.640 1.00 -0.80 O \nATOM 469 HA ASP A 880 5.437 54.390 -7.787 1.00 0.09 H \nATOM 470 HB2 ASP A 880 7.874 52.790 -8.702 1.00 -0.01 H \nATOM 471 HB3 ASP A 880 6.859 52.385 -7.276 1.00 -0.01 H \nATOM 472 H ASP A 880 7.113 54.601 -10.138 1.00 0.29 H \nATOM 473 N LEU A 881 6.868 55.022 -5.836 1.00 -0.42 N \nATOM 474 CA LEU A 881 7.649 55.486 -4.674 1.00 -0.05 C \nATOM 475 C LEU A 881 8.062 54.335 -3.754 1.00 0.60 C \nATOM 476 O LEU A 881 9.128 54.368 -3.147 1.00 -0.57 O \nATOM 477 CB LEU A 881 6.853 56.553 -3.897 1.00 -0.11 C \nATOM 478 CG LEU A 881 6.680 57.881 -4.634 1.00 0.35 C \nATOM 479 CD1 LEU A 881 5.740 58.836 -3.896 1.00 -0.41 C \nATOM 480 CD2 LEU A 881 8.028 58.533 -4.915 1.00 -0.41 C \nATOM 481 HA LEU A 881 8.569 55.955 -5.053 1.00 0.09 H \nATOM 482 HB2 LEU A 881 5.853 56.147 -3.683 1.00 0.05 H \nATOM 483 HB3 LEU A 881 7.378 56.752 -2.951 1.00 0.05 H \nATOM 484 HG LEU A 881 6.216 57.656 -5.605 1.00 -0.04 H \nATOM 485 HD21 LEU A 881 8.641 57.858 -5.530 1.00 0.10 H \nATOM 486 HD22 LEU A 881 7.872 59.479 -5.454 1.00 0.10 H \nATOM 487 HD23 LEU A 881 8.544 58.733 -3.964 1.00 0.10 H \nATOM 488 HD11 LEU A 881 6.141 59.043 -2.893 1.00 0.10 H \nATOM 489 HD12 LEU A 881 5.657 59.777 -4.459 1.00 0.10 H \nATOM 490 HD13 LEU A 881 4.746 58.374 -3.805 1.00 0.10 H \nATOM 491 H LEU A 881 5.919 54.740 -5.696 1.00 0.27 H \nATOM 492 N GLY A 882 7.215 53.320 -3.650 1.00 -0.42 N \nATOM 493 CA GLY A 882 7.471 52.177 -2.792 1.00 -0.03 C \nATOM 494 C GLY A 882 6.290 51.230 -2.815 1.00 0.60 C \nATOM 495 O GLY A 882 5.261 51.522 -3.437 1.00 -0.57 O \nATOM 496 HA3 GLY A 882 8.367 51.649 -3.149 1.00 0.07 H \nATOM 497 HA2 GLY A 882 7.637 52.526 -1.762 1.00 0.07 H \nATOM 498 H GLY A 882 6.369 53.343 -4.182 1.00 0.27 H \nATOM 499 N GLU A 883 6.437 50.091 -2.146 1.00 -0.52 N \nATOM 500 CA GLU A 883 5.370 49.097 -2.091 1.00 0.04 C \nATOM 501 C GLU A 883 5.529 48.109 -0.937 1.00 0.54 C \nATOM 502 O GLU A 883 6.548 48.095 -0.248 1.00 -0.58 O \nATOM 503 CB GLU A 883 5.270 48.347 -3.425 1.00 0.06 C \nATOM 504 CG GLU A 883 6.523 47.596 -3.842 1.00 0.01 C \nATOM 505 CD GLU A 883 6.431 47.031 -5.254 1.00 0.81 C \nATOM 506 OE1 GLU A 883 5.487 47.384 -5.996 1.00 -0.82 O \nATOM 507 OE2 GLU A 883 7.315 46.231 -5.627 1.00 -0.82 O \nATOM 508 HA GLU A 883 4.425 49.637 -1.934 1.00 0.11 H \nATOM 509 HB2 GLU A 883 4.448 47.620 -3.346 1.00 -0.02 H \nATOM 510 HB3 GLU A 883 5.036 49.080 -4.211 1.00 -0.02 H \nATOM 511 HG2 GLU A 883 7.378 48.286 -3.795 1.00 -0.04 H \nATOM 512 HG3 GLU A 883 6.684 46.764 -3.141 1.00 -0.04 H \nATOM 513 H GLU A 883 7.298 49.911 -1.670 1.00 0.29 H \nATOM 514 N GLY A 884 4.475 47.328 -0.717 1.00 -0.42 N \nATOM 515 CA GLY A 884 4.506 46.143 0.137 1.00 -0.03 C \nATOM 516 C GLY A 884 4.037 44.958 -0.692 1.00 0.60 C \nATOM 517 O GLY A 884 4.206 44.948 -1.915 1.00 -0.57 O \nATOM 518 HA3 GLY A 884 5.531 45.967 0.495 1.00 0.07 H \nATOM 519 HA2 GLY A 884 3.837 46.285 0.998 1.00 0.07 H \nATOM 520 H GLY A 884 3.611 47.566 -1.162 1.00 0.27 H \nATOM 521 N HIS A 885 3.445 43.960 -0.039 1.00 -0.42 N \nATOM 522 CA HIS A 885 2.897 42.802 -0.755 1.00 0.02 C \nATOM 523 C HIS A 885 1.469 43.010 -1.195 1.00 0.60 C \nATOM 524 O HIS A 885 1.033 42.403 -2.179 1.00 -0.57 O \nATOM 525 CB HIS A 885 3.039 41.520 0.072 1.00 -0.05 C \nATOM 526 CG HIS A 885 4.349 40.798 -0.158 1.00 -0.03 C \nATOM 527 ND1 HIS A 885 4.724 40.352 -1.373 1.00 -0.38 N \nATOM 528 CD2 HIS A 885 5.375 40.456 0.720 1.00 0.13 C \nATOM 529 CE1 HIS A 885 5.927 39.757 -1.281 1.00 0.21 C \nATOM 530 NE2 HIS A 885 6.324 39.819 0.001 1.00 -0.57 N \nATOM 531 HA HIS A 885 3.499 42.673 -1.666 1.00 0.09 H \nATOM 532 HB2 HIS A 885 2.968 41.783 1.138 1.00 0.04 H \nATOM 533 HB3 HIS A 885 2.215 40.841 -0.193 1.00 0.04 H \nATOM 534 HD2 HIS A 885 5.406 40.664 1.789 1.00 0.11 H \nATOM 535 HE1 HIS A 885 6.482 39.304 -2.102 1.00 0.14 H \nATOM 536 HD1 HIS A 885 4.174 40.451 -2.238 1.00 0.36 H \nATOM 537 H HIS A 885 3.372 44.000 0.958 1.00 0.27 H \nATOM 538 N PHE A 886 0.732 43.869 -0.486 1.00 -0.42 N \nATOM 539 CA PHE A 886 -0.664 44.175 -0.839 1.00 -0.00 C \nATOM 540 C PHE A 886 -0.885 45.618 -1.305 1.00 0.60 C \nATOM 541 O PHE A 886 -1.814 45.879 -2.073 1.00 -0.57 O \nATOM 542 CB PHE A 886 -1.607 43.846 0.331 1.00 -0.03 C \nATOM 543 CG PHE A 886 -1.492 42.425 0.829 1.00 0.01 C \nATOM 544 CD1 PHE A 886 -1.414 42.153 2.191 1.00 -0.13 C \nATOM 545 CD2 PHE A 886 -1.447 41.357 -0.068 1.00 -0.13 C \nATOM 546 CE1 PHE A 886 -1.299 40.847 2.648 1.00 -0.17 C \nATOM 547 CE2 PHE A 886 -1.331 40.053 0.383 1.00 -0.17 C \nATOM 548 CZ PHE A 886 -1.258 39.798 1.742 1.00 -0.11 C \nATOM 549 HA PHE A 886 -0.933 43.519 -1.680 1.00 0.10 H \nATOM 550 HB2 PHE A 886 -1.375 44.525 1.165 1.00 0.03 H \nATOM 551 HB3 PHE A 886 -2.642 44.014 -0.001 1.00 0.03 H \nATOM 552 HD2 PHE A 886 -1.504 41.551 -1.133 1.00 0.13 H \nATOM 553 HE2 PHE A 886 -1.297 39.234 -0.326 1.00 0.14 H \nATOM 554 HZ PHE A 886 -1.169 38.778 2.098 1.00 0.13 H \nATOM 555 HE1 PHE A 886 -1.241 40.648 3.712 1.00 0.14 H \nATOM 556 HD1 PHE A 886 -1.443 42.970 2.903 1.00 0.13 H \nATOM 557 H PHE A 886 1.141 44.318 0.309 1.00 0.27 H \nATOM 558 N GLY A 887 -0.039 46.546 -0.856 1.00 -0.42 N \nATOM 559 CA GLY A 887 -0.181 47.959 -1.219 1.00 -0.03 C \nATOM 560 C GLY A 887 1.033 48.549 -1.913 1.00 0.60 C \nATOM 561 O GLY A 887 2.130 48.001 -1.852 1.00 -0.57 O \nATOM 562 HA3 GLY A 887 -1.045 48.057 -1.893 1.00 0.07 H \nATOM 563 HA2 GLY A 887 -0.366 48.534 -0.300 1.00 0.07 H \nATOM 564 H GLY A 887 0.712 46.271 -0.256 1.00 0.27 H \nATOM 565 N LYS A 888 0.822 49.669 -2.595 1.00 -0.35 N \nATOM 566 CA LYS A 888 1.909 50.418 -3.192 1.00 -0.24 C \nATOM 567 C LYS A 888 1.606 51.908 -3.225 1.00 0.73 C \nATOM 568 O LYS A 888 0.444 52.329 -3.206 1.00 -0.59 O \nATOM 569 CB LYS A 888 2.218 49.915 -4.598 1.00 -0.01 C \nATOM 570 CG LYS A 888 1.177 50.252 -5.657 1.00 0.02 C \nATOM 571 CD LYS A 888 1.596 49.794 -7.055 1.00 -0.05 C \nATOM 572 CE LYS A 888 3.014 50.221 -7.426 1.00 -0.01 C \nATOM 573 NZ LYS A 888 3.363 49.889 -8.837 1.00 -0.39 N \nATOM 574 HA LYS A 888 2.804 50.266 -2.570 1.00 0.14 H \nATOM 575 HB2 LYS A 888 3.176 50.354 -4.912 1.00 0.04 H \nATOM 576 HB3 LYS A 888 2.314 48.820 -4.553 1.00 0.04 H \nATOM 577 HG2 LYS A 888 0.231 49.757 -5.392 1.00 0.01 H \nATOM 578 HG3 LYS A 888 1.029 51.342 -5.672 1.00 0.01 H \nATOM 579 HD2 LYS A 888 1.539 48.696 -7.095 1.00 0.06 H \nATOM 580 HD3 LYS A 888 0.898 50.224 -7.788 1.00 0.06 H \nATOM 581 HE2 LYS A 888 3.102 51.309 -7.288 1.00 0.11 H \nATOM 582 HE3 LYS A 888 3.722 49.709 -6.758 1.00 0.11 H \nATOM 583 HZ1 LYS A 888 2.720 50.352 -9.460 1.00 0.34 H \nATOM 584 HZ2 LYS A 888 4.302 50.199 -9.033 1.00 0.34 H \nATOM 585 HZ3 LYS A 888 3.303 48.892 -8.972 1.00 0.34 H \nATOM 586 H LYS A 888 -0.114 50.005 -2.699 1.00 0.27 H \nATOM 587 N VAL A 889 2.666 52.701 -3.278 1.00 -0.42 N \nATOM 588 CA VAL A 889 2.521 54.132 -3.310 1.00 -0.09 C \nATOM 589 C VAL A 889 3.172 54.660 -4.573 1.00 0.60 C \nATOM 590 O VAL A 889 4.301 54.285 -4.911 1.00 -0.57 O \nATOM 591 CB VAL A 889 3.146 54.783 -2.064 1.00 0.30 C \nATOM 592 CG1 VAL A 889 3.082 56.310 -2.166 1.00 -0.32 C \nATOM 593 CG2 VAL A 889 2.455 54.277 -0.800 1.00 -0.32 C \nATOM 594 HA VAL A 889 1.449 54.379 -3.331 1.00 0.10 H \nATOM 595 HB VAL A 889 4.205 54.489 -2.015 1.00 -0.03 H \nATOM 596 HG11 VAL A 889 2.033 56.628 -2.257 1.00 0.08 H \nATOM 597 HG12 VAL A 889 3.524 56.757 -1.263 1.00 0.08 H \nATOM 598 HG13 VAL A 889 3.644 56.642 -3.052 1.00 0.08 H \nATOM 599 HG21 VAL A 889 2.561 53.184 -0.736 1.00 0.08 H \nATOM 600 HG22 VAL A 889 2.918 54.742 0.082 1.00 0.08 H \nATOM 601 HG23 VAL A 889 1.388 54.540 -0.835 1.00 0.08 H \nATOM 602 H VAL A 889 3.581 52.299 -3.296 1.00 0.27 H \nATOM 603 N GLU A 890 2.466 55.563 -5.238 1.00 -0.52 N \nATOM 604 CA GLU A 890 2.941 56.173 -6.466 1.00 0.04 C \nATOM 605 C GLU A 890 2.938 57.682 -6.365 1.00 0.54 C \nATOM 606 O GLU A 890 2.070 58.281 -5.696 1.00 -0.58 O \nATOM 607 CB GLU A 890 2.044 55.766 -7.632 1.00 0.06 C \nATOM 608 CG GLU A 890 1.924 54.268 -7.796 1.00 0.01 C \nATOM 609 CD GLU A 890 0.973 53.873 -8.917 1.00 0.81 C \nATOM 610 OE1 GLU A 890 -0.151 54.423 -8.989 1.00 -0.82 O \nATOM 611 OE2 GLU A 890 1.350 52.994 -9.724 1.00 -0.82 O \nATOM 612 HA GLU A 890 3.967 55.828 -6.659 1.00 0.11 H \nATOM 613 HB2 GLU A 890 1.040 56.181 -7.462 1.00 -0.02 H \nATOM 614 HB3 GLU A 890 2.462 56.187 -8.558 1.00 -0.02 H \nATOM 615 HG2 GLU A 890 2.920 53.858 -8.019 1.00 -0.04 H \nATOM 616 HG3 GLU A 890 1.553 53.840 -6.853 1.00 -0.04 H \nATOM 617 H GLU A 890 1.572 55.834 -4.880 1.00 0.29 H \nATOM 618 N LEU A 891 3.910 58.300 -7.022 1.00 -0.42 N \nATOM 619 CA LEU A 891 3.894 59.735 -7.238 1.00 -0.05 C \nATOM 620 C LEU A 891 2.977 60.040 -8.418 1.00 0.60 C \nATOM 621 O LEU A 891 3.128 59.475 -9.502 1.00 -0.57 O \nATOM 622 CB LEU A 891 5.303 60.279 -7.515 1.00 -0.11 C \nATOM 623 CG LEU A 891 5.414 61.747 -7.959 1.00 0.35 C \nATOM 624 CD1 LEU A 891 4.965 62.689 -6.850 1.00 -0.41 C \nATOM 625 CD2 LEU A 891 6.832 62.090 -8.409 1.00 -0.41 C \nATOM 626 HA LEU A 891 3.499 60.226 -6.337 1.00 0.09 H \nATOM 627 HB2 LEU A 891 5.889 60.168 -6.591 1.00 0.05 H \nATOM 628 HB3 LEU A 891 5.747 59.659 -8.308 1.00 0.05 H \nATOM 629 HG LEU A 891 4.743 61.890 -8.819 1.00 -0.04 H \nATOM 630 HD21 LEU A 891 7.117 61.441 -9.250 1.00 0.10 H \nATOM 631 HD22 LEU A 891 6.871 63.142 -8.728 1.00 0.10 H \nATOM 632 HD23 LEU A 891 7.530 61.934 -7.573 1.00 0.10 H \nATOM 633 HD11 LEU A 891 5.592 62.533 -5.960 1.00 0.10 H \nATOM 634 HD12 LEU A 891 5.064 63.730 -7.191 1.00 0.10 H \nATOM 635 HD13 LEU A 891 3.914 62.484 -6.598 1.00 0.10 H \nATOM 636 H LEU A 891 4.675 57.763 -7.378 1.00 0.27 H \nATOM 637 N CYS A 892 2.017 60.928 -8.190 1.00 -0.42 N \nATOM 638 CA CYS A 892 1.118 61.363 -9.228 1.00 0.02 C \nATOM 639 C CYS A 892 1.103 62.864 -9.248 1.00 0.60 C \nATOM 640 O CYS A 892 1.532 63.522 -8.298 1.00 -0.57 O \nATOM 641 CB CYS A 892 -0.307 60.847 -8.981 1.00 -0.12 C \nATOM 642 SG CYS A 892 -0.436 59.048 -8.979 1.00 -0.31 S \nATOM 643 HA CYS A 892 1.474 60.984 -10.197 1.00 0.11 H \nATOM 644 HB2 CYS A 892 -0.647 61.221 -8.004 1.00 0.11 H \nATOM 645 HB3 CYS A 892 -0.961 61.241 -9.773 1.00 0.11 H \nATOM 646 HG CYS A 892 -1.393 58.780 -8.812 1.00 0.19 H \nATOM 647 H CYS A 892 1.915 61.306 -7.270 1.00 0.27 H \nATOM 648 N ARG A 893 0.628 63.407 -10.353 1.00 -0.35 N \nATOM 649 CA ARG A 893 0.225 64.783 -10.384 1.00 -0.26 C \nATOM 650 C ARG A 893 -1.286 64.824 -10.557 1.00 0.73 C \nATOM 651 O ARG A 893 -1.847 64.150 -11.443 1.00 -0.59 O \nATOM 652 CB ARG A 893 0.912 65.527 -11.509 1.00 -0.00 C \nATOM 653 CG ARG A 893 0.720 67.031 -11.425 1.00 0.04 C \nATOM 654 CD ARG A 893 1.384 67.733 -12.586 1.00 0.05 C \nATOM 655 NE ARG A 893 2.839 67.672 -12.492 1.00 -0.53 N \nATOM 656 CZ ARG A 893 3.611 68.612 -11.945 1.00 0.81 C \nATOM 657 NH1 ARG A 893 3.098 69.713 -11.400 1.00 -0.86 N \nATOM 658 NH2 ARG A 893 4.920 68.448 -11.945 1.00 -0.86 N \nATOM 659 HA ARG A 893 0.495 65.260 -9.430 1.00 0.16 H \nATOM 660 HB2 ARG A 893 1.989 65.308 -11.469 1.00 0.03 H \nATOM 661 HB3 ARG A 893 0.501 65.173 -12.466 1.00 0.03 H \nATOM 662 HG2 ARG A 893 -0.357 67.256 -11.438 1.00 0.03 H \nATOM 663 HG3 ARG A 893 1.160 67.397 -10.486 1.00 0.03 H \nATOM 664 HD2 ARG A 893 1.067 67.251 -13.523 1.00 0.07 H \nATOM 665 HD3 ARG A 893 1.071 68.787 -12.591 1.00 0.07 H \nATOM 666 HE ARG A 893 3.306 66.839 -12.878 1.00 0.35 H \nATOM 667 HH12 ARG A 893 3.721 70.421 -10.985 1.00 0.45 H \nATOM 668 HH11 ARG A 893 2.078 69.857 -11.393 1.00 0.45 H \nATOM 669 HH22 ARG A 893 5.529 69.165 -11.526 1.00 0.45 H \nATOM 670 HH21 ARG A 893 5.333 67.603 -12.364 1.00 0.45 H \nATOM 671 H ARG A 893 0.548 62.851 -11.180 1.00 0.27 H \nATOM 672 N TYR A 894 -1.947 65.603 -9.707 1.00 -0.42 N \nATOM 673 CA TYR A 894 -3.371 65.816 -9.850 1.00 -0.00 C \nATOM 674 C TYR A 894 -3.526 67.042 -10.707 1.00 0.60 C \nATOM 675 O TYR A 894 -3.297 68.157 -10.248 1.00 -0.57 O \nATOM 676 CB TYR A 894 -4.065 65.981 -8.499 1.00 -0.02 C \nATOM 677 CG TYR A 894 -5.568 66.007 -8.642 1.00 -0.00 C \nATOM 678 CD1 TYR A 894 -6.251 64.876 -9.065 1.00 -0.19 C \nATOM 679 CD2 TYR A 894 -6.306 67.158 -8.378 1.00 -0.19 C \nATOM 680 CE1 TYR A 894 -7.618 64.883 -9.213 1.00 -0.23 C \nATOM 681 CE2 TYR A 894 -7.679 67.171 -8.532 1.00 -0.23 C \nATOM 682 CZ TYR A 894 -8.327 66.030 -8.957 1.00 0.32 C \nATOM 683 OH TYR A 894 -9.691 66.019 -9.127 1.00 -0.56 O \nATOM 684 HA TYR A 894 -3.818 64.952 -10.364 1.00 0.09 H \nATOM 685 HB3 TYR A 894 -3.783 65.140 -7.849 1.00 0.03 H \nATOM 686 HB2 TYR A 894 -3.734 66.925 -8.041 1.00 0.03 H \nATOM 687 HD2 TYR A 894 -5.796 68.056 -8.047 1.00 0.17 H \nATOM 688 HE2 TYR A 894 -8.243 68.072 -8.320 1.00 0.17 H \nATOM 689 HE1 TYR A 894 -8.135 63.985 -9.531 1.00 0.17 H \nATOM 690 HD1 TYR A 894 -5.697 63.970 -9.283 1.00 0.17 H \nATOM 691 HH TYR A 894 -9.967 65.159 -9.421 1.00 0.40 H \nATOM 692 H TYR A 894 -1.454 66.048 -8.959 1.00 0.27 H \nATOM 693 N ASP A 895 -3.921 66.838 -11.958 1.00 -0.52 N \nATOM 694 CA ASP A 895 -3.774 67.869 -12.968 1.00 0.04 C \nATOM 695 C ASP A 895 -5.087 68.215 -13.675 1.00 0.54 C \nATOM 696 O ASP A 895 -5.180 68.082 -14.889 1.00 -0.58 O \nATOM 697 CB ASP A 895 -2.706 67.425 -13.986 1.00 -0.03 C \nATOM 698 CG ASP A 895 -2.074 68.595 -14.740 1.00 0.80 C \nATOM 699 OD1 ASP A 895 -1.820 69.649 -14.123 1.00 -0.80 O \nATOM 700 OD2 ASP A 895 -1.810 68.457 -15.958 1.00 -0.80 O \nATOM 701 HA ASP A 895 -3.417 68.782 -12.468 1.00 0.09 H \nATOM 702 HB2 ASP A 895 -1.913 66.885 -13.448 1.00 -0.01 H \nATOM 703 HB3 ASP A 895 -3.177 66.751 -14.717 1.00 -0.01 H \nATOM 704 H ASP A 895 -4.327 65.959 -12.208 1.00 0.29 H \nATOM 705 N PRO A 896 -6.090 68.710 -12.920 1.00 -0.25 N \nATOM 706 CA PRO A 896 -7.383 69.042 -13.523 1.00 -0.03 C \nATOM 707 C PRO A 896 -7.299 70.051 -14.665 1.00 0.59 C \nATOM 708 O PRO A 896 -8.160 70.050 -15.526 1.00 -0.57 O \nATOM 709 CB PRO A 896 -8.212 69.597 -12.352 1.00 -0.01 C \nATOM 710 CG PRO A 896 -7.243 69.923 -11.280 1.00 0.02 C \nATOM 711 CD PRO A 896 -6.034 69.066 -11.491 1.00 0.02 C \nATOM 712 HA PRO A 896 -7.850 68.125 -13.913 1.00 0.06 H \nATOM 713 HD3 PRO A 896 -6.080 68.165 -10.862 1.00 0.04 H \nATOM 714 HD2 PRO A 896 -5.115 69.625 -11.264 1.00 0.04 H \nATOM 715 HG3 PRO A 896 -7.686 69.711 -10.296 1.00 0.02 H \nATOM 716 HG2 PRO A 896 -6.965 70.986 -11.336 1.00 0.02 H \nATOM 717 HB2 PRO A 896 -8.755 70.501 -12.664 1.00 0.03 H \nATOM 718 HB3 PRO A 896 -8.930 68.841 -12.001 1.00 0.03 H \nATOM 719 N GLU A 897 -6.272 70.892 -14.699 1.00 -0.52 N \nATOM 720 CA GLU A 897 -6.159 71.843 -15.799 1.00 0.04 C \nATOM 721 C GLU A 897 -5.387 71.267 -16.971 1.00 0.54 C \nATOM 722 O GLU A 897 -5.308 71.885 -18.027 1.00 -0.58 O \nATOM 723 CB GLU A 897 -5.542 73.147 -15.315 1.00 0.06 C \nATOM 724 CG GLU A 897 -6.458 73.881 -14.358 1.00 0.01 C \nATOM 725 CD GLU A 897 -5.922 75.245 -14.002 1.00 0.81 C \nATOM 726 OE1 GLU A 897 -5.536 75.421 -12.841 1.00 -0.82 O \nATOM 727 OE2 GLU A 897 -5.880 76.122 -14.889 1.00 -0.82 O \nATOM 728 HA GLU A 897 -7.177 72.065 -16.152 1.00 0.11 H \nATOM 729 HB2 GLU A 897 -4.595 72.924 -14.801 1.00 -0.02 H \nATOM 730 HB3 GLU A 897 -5.345 73.792 -16.184 1.00 -0.02 H \nATOM 731 HG2 GLU A 897 -7.445 73.999 -14.830 1.00 -0.04 H \nATOM 732 HG3 GLU A 897 -6.560 73.288 -13.437 1.00 -0.04 H \nATOM 733 H GLU A 897 -5.581 70.873 -13.976 1.00 0.29 H \nATOM 734 N GLY A 898 -4.817 70.079 -16.783 1.00 -0.42 N \nATOM 735 CA GLY A 898 -4.216 69.334 -17.878 1.00 -0.03 C \nATOM 736 C GLY A 898 -2.953 69.942 -18.467 1.00 0.60 C \nATOM 737 O GLY A 898 -2.560 69.573 -19.562 1.00 -0.57 O \nATOM 738 HA3 GLY A 898 -3.967 68.328 -17.508 1.00 0.07 H \nATOM 739 HA2 GLY A 898 -4.961 69.254 -18.683 1.00 0.07 H \nATOM 740 H GLY A 898 -4.802 69.688 -15.863 1.00 0.27 H \nATOM 741 N ASP A 899 -2.307 70.856 -17.746 1.00 -0.52 N \nATOM 742 CA ASP A 899 -1.127 71.565 -18.272 1.00 0.04 C \nATOM 743 C ASP A 899 0.123 71.311 -17.428 1.00 0.54 C \nATOM 744 O ASP A 899 1.061 72.111 -17.428 1.00 -0.58 O \nATOM 745 CB ASP A 899 -1.405 73.068 -18.345 1.00 -0.03 C \nATOM 746 CG ASP A 899 -1.645 73.683 -16.977 1.00 0.80 C \nATOM 747 OD1 ASP A 899 -1.840 72.932 -16.008 1.00 -0.80 O \nATOM 748 OD2 ASP A 899 -1.637 74.914 -16.858 1.00 -0.80 O \nATOM 749 HA ASP A 899 -0.933 71.196 -19.290 1.00 0.09 H \nATOM 750 HB2 ASP A 899 -0.540 73.565 -18.808 1.00 -0.01 H \nATOM 751 HB3 ASP A 899 -2.298 73.232 -18.967 1.00 -0.01 H \nATOM 752 H ASP A 899 -2.631 71.067 -16.824 1.00 0.29 H \nATOM 753 N ASN A 900 0.120 70.198 -16.706 1.00 -0.42 N \nATOM 754 CA ASN A 900 1.236 69.813 -15.856 1.00 0.01 C \nATOM 755 C ASN A 900 1.551 70.863 -14.785 1.00 0.60 C \nATOM 756 O ASN A 900 2.704 71.025 -14.403 1.00 -0.57 O \nATOM 757 CB ASN A 900 2.474 69.528 -16.724 1.00 -0.20 C \nATOM 758 CG ASN A 900 3.610 68.869 -15.952 1.00 0.71 C \nATOM 759 OD1 ASN A 900 4.781 69.172 -16.180 1.00 -0.59 O \nATOM 760 ND2 ASN A 900 3.275 67.964 -15.047 1.00 -0.92 N \nATOM 761 HA ASN A 900 0.959 68.883 -15.338 1.00 0.10 H \nATOM 762 HB2 ASN A 900 2.178 68.861 -17.547 1.00 0.08 H \nATOM 763 HB3 ASN A 900 2.838 70.480 -17.137 1.00 0.08 H \nATOM 764 HD22 ASN A 900 3.985 67.503 -14.514 1.00 0.42 H \nATOM 765 HD21 ASN A 900 2.312 67.741 -14.896 1.00 0.42 H \nATOM 766 H ASN A 900 -0.681 69.600 -16.748 1.00 0.27 H \nATOM 767 N THR A 901 0.534 71.570 -14.294 1.00 -0.42 N \nATOM 768 CA THR A 901 0.755 72.556 -13.225 1.00 -0.04 C \nATOM 769 C THR A 901 0.189 72.106 -11.889 1.00 0.60 C \nATOM 770 O THR A 901 0.473 72.714 -10.861 1.00 -0.57 O \nATOM 771 CB THR A 901 0.187 73.954 -13.575 1.00 0.37 C \nATOM 772 OG1 THR A 901 -1.240 73.901 -13.718 1.00 -0.68 O \nATOM 773 CG2 THR A 901 0.827 74.484 -14.846 1.00 -0.24 C \nATOM 774 HA THR A 901 1.844 72.660 -13.106 1.00 0.10 H \nATOM 775 HB THR A 901 0.428 74.642 -12.751 1.00 0.00 H \nATOM 776 HG1 THR A 901 -1.569 74.766 -13.932 1.00 0.41 H \nATOM 777 HG23 THR A 901 1.638 75.180 -14.586 1.00 0.06 H \nATOM 778 HG21 THR A 901 1.237 73.645 -15.427 1.00 0.06 H \nATOM 779 HG22 THR A 901 0.070 75.010 -15.446 1.00 0.06 H \nATOM 780 H THR A 901 -0.388 71.429 -14.655 1.00 0.27 H \nATOM 781 N GLY A 902 -0.585 71.024 -11.896 1.00 -0.42 N \nATOM 782 CA GLY A 902 -1.258 70.552 -10.691 1.00 -0.03 C \nATOM 783 C GLY A 902 -0.273 70.097 -9.644 1.00 0.60 C \nATOM 784 O GLY A 902 0.917 69.900 -9.926 1.00 -0.57 O \nATOM 785 HA3 GLY A 902 -1.865 71.371 -10.278 1.00 0.07 H \nATOM 786 HA2 GLY A 902 -1.912 69.708 -10.955 1.00 0.07 H \nATOM 787 H GLY A 902 -0.709 70.520 -12.751 1.00 0.27 H \nATOM 788 N GLU A 903 -0.740 69.919 -8.422 1.00 -0.52 N \nATOM 789 CA GLU A 903 0.196 69.521 -7.388 1.00 0.04 C \nATOM 790 C GLU A 903 0.501 68.031 -7.414 1.00 0.54 C \nATOM 791 O GLU A 903 -0.311 67.204 -7.850 1.00 -0.58 O \nATOM 792 CB GLU A 903 -0.243 69.990 -6.013 1.00 0.06 C \nATOM 793 CG GLU A 903 -1.396 69.253 -5.396 1.00 0.01 C \nATOM 794 CD GLU A 903 -1.517 69.572 -3.919 1.00 0.81 C \nATOM 795 OE1 GLU A 903 -0.476 69.619 -3.228 1.00 -0.82 O \nATOM 796 OE2 GLU A 903 -2.649 69.777 -3.440 1.00 -0.82 O \nATOM 797 HA GLU A 903 1.142 70.037 -7.609 1.00 0.11 H \nATOM 798 HB2 GLU A 903 0.618 69.893 -5.335 1.00 -0.02 H \nATOM 799 HB3 GLU A 903 -0.528 71.049 -6.095 1.00 -0.02 H \nATOM 800 HG2 GLU A 903 -2.325 69.548 -5.905 1.00 -0.04 H \nATOM 801 HG3 GLU A 903 -1.238 68.171 -5.519 1.00 -0.04 H \nATOM 802 H GLU A 903 -1.709 70.054 -8.216 1.00 0.29 H \nATOM 803 N GLN A 904 1.711 67.718 -6.977 1.00 -0.42 N \nATOM 804 CA GLN A 904 2.188 66.369 -6.903 1.00 -0.00 C \nATOM 805 C GLN A 904 1.684 65.790 -5.612 1.00 0.60 C \nATOM 806 O GLN A 904 1.714 66.463 -4.591 1.00 -0.57 O \nATOM 807 CB GLN A 904 3.713 66.348 -6.918 1.00 -0.00 C \nATOM 808 CG GLN A 904 4.319 66.689 -8.264 1.00 -0.06 C \nATOM 809 CD GLN A 904 5.836 66.766 -8.199 1.00 0.70 C \nATOM 810 OE1 GLN A 904 6.415 67.431 -7.334 1.00 -0.61 O \nATOM 811 NE2 GLN A 904 6.479 66.064 -9.097 1.00 -0.94 N \nATOM 812 HA GLN A 904 1.804 65.787 -7.754 1.00 0.09 H \nATOM 813 HB2 GLN A 904 4.077 67.078 -6.180 1.00 0.02 H \nATOM 814 HB3 GLN A 904 4.048 65.340 -6.633 1.00 0.02 H \nATOM 815 HG2 GLN A 904 4.033 65.913 -8.990 1.00 0.04 H \nATOM 816 HG3 GLN A 904 3.927 67.662 -8.594 1.00 0.04 H \nATOM 817 HE22 GLN A 904 7.479 66.068 -9.113 1.00 0.43 H \nATOM 818 HE21 GLN A 904 5.970 65.523 -9.767 1.00 0.43 H \nATOM 819 H GLN A 904 2.319 68.456 -6.686 1.00 0.27 H \nATOM 820 N VAL A 905 1.232 64.540 -5.659 1.00 -0.42 N \nATOM 821 CA VAL A 905 0.720 63.840 -4.488 1.00 -0.09 C \nATOM 822 C VAL A 905 1.221 62.394 -4.463 1.00 0.60 C \nATOM 823 O VAL A 905 1.569 61.838 -5.502 1.00 -0.57 O \nATOM 824 CB VAL A 905 -0.829 63.853 -4.477 1.00 0.30 C \nATOM 825 CG1 VAL A 905 -1.335 65.258 -4.271 1.00 -0.32 C \nATOM 826 CG2 VAL A 905 -1.384 63.268 -5.782 1.00 -0.32 C \nATOM 827 HA VAL A 905 1.084 64.355 -3.587 1.00 0.10 H \nATOM 828 HB VAL A 905 -1.178 63.230 -3.640 1.00 -0.03 H \nATOM 829 HG11 VAL A 905 -0.966 65.903 -5.082 1.00 0.08 H \nATOM 830 HG12 VAL A 905 -2.435 65.256 -4.275 1.00 0.08 H \nATOM 831 HG13 VAL A 905 -0.973 65.640 -3.305 1.00 0.08 H \nATOM 832 HG21 VAL A 905 -1.029 62.234 -5.900 1.00 0.08 H \nATOM 833 HG22 VAL A 905 -2.483 63.277 -5.749 1.00 0.08 H \nATOM 834 HG23 VAL A 905 -1.037 63.874 -6.632 1.00 0.08 H \nATOM 835 H VAL A 905 1.244 64.060 -6.536 1.00 0.27 H \nATOM 836 N ALA A 906 1.307 61.816 -3.263 1.00 -0.42 N \nATOM 837 CA ALA A 906 1.567 60.404 -3.089 1.00 0.03 C \nATOM 838 C ALA A 906 0.219 59.660 -3.013 1.00 0.60 C \nATOM 839 O ALA A 906 -0.660 60.002 -2.215 1.00 -0.57 O \nATOM 840 CB ALA A 906 2.398 60.148 -1.841 1.00 -0.18 C \nATOM 841 HA ALA A 906 2.128 60.036 -3.961 1.00 0.08 H \nATOM 842 HB1 ALA A 906 2.579 59.068 -1.736 1.00 0.06 H \nATOM 843 HB2 ALA A 906 3.360 60.674 -1.927 1.00 0.06 H \nATOM 844 HB3 ALA A 906 1.856 60.517 -0.958 1.00 0.06 H \nATOM 845 H ALA A 906 1.186 62.384 -2.449 1.00 0.27 H \nATOM 846 N VAL A 907 0.077 58.636 -3.849 1.00 -0.42 N \nATOM 847 CA VAL A 907 -1.162 57.877 -3.967 1.00 -0.09 C \nATOM 848 C VAL A 907 -0.929 56.436 -3.540 1.00 0.60 C \nATOM 849 O VAL A 907 -0.117 55.730 -4.147 1.00 -0.57 O \nATOM 850 CB VAL A 907 -1.674 57.933 -5.418 1.00 0.30 C \nATOM 851 CG1 VAL A 907 -3.053 57.278 -5.537 1.00 -0.32 C \nATOM 852 CG2 VAL A 907 -1.721 59.377 -5.883 1.00 -0.32 C \nATOM 853 HA VAL A 907 -1.919 58.325 -3.306 1.00 0.10 H \nATOM 854 HB VAL A 907 -0.972 57.380 -6.059 1.00 -0.03 H \nATOM 855 HG11 VAL A 907 -3.765 57.801 -4.882 1.00 0.08 H \nATOM 856 HG12 VAL A 907 -3.400 57.340 -6.579 1.00 0.08 H \nATOM 857 HG13 VAL A 907 -2.985 56.222 -5.236 1.00 0.08 H \nATOM 858 HG21 VAL A 907 -0.713 59.814 -5.824 1.00 0.08 H \nATOM 859 HG22 VAL A 907 -2.077 59.416 -6.923 1.00 0.08 H \nATOM 860 HG23 VAL A 907 -2.407 59.947 -5.239 1.00 0.08 H \nATOM 861 H VAL A 907 0.854 58.375 -4.422 1.00 0.27 H \nATOM 862 N LYS A 908 -1.612 56.018 -2.473 1.00 -0.35 N \nATOM 863 CA LYS A 908 -1.556 54.636 -1.997 1.00 -0.24 C \nATOM 864 C LYS A 908 -2.763 53.830 -2.482 1.00 0.73 C \nATOM 865 O LYS A 908 -3.925 54.195 -2.239 1.00 -0.59 O \nATOM 866 CB LYS A 908 -1.480 54.555 -0.478 1.00 -0.01 C \nATOM 867 CG LYS A 908 -1.264 53.139 0.042 1.00 0.02 C \nATOM 868 CD LYS A 908 -0.906 53.126 1.508 1.00 -0.05 C \nATOM 869 CE LYS A 908 -0.247 51.818 1.919 1.00 -0.01 C \nATOM 870 NZ LYS A 908 -0.025 51.750 3.391 1.00 -0.39 N \nATOM 871 HA LYS A 908 -0.646 54.177 -2.410 1.00 0.14 H \nATOM 872 HB2 LYS A 908 -0.644 55.183 -0.137 1.00 0.04 H \nATOM 873 HB3 LYS A 908 -2.422 54.940 -0.061 1.00 0.04 H \nATOM 874 HG2 LYS A 908 -2.189 52.562 -0.103 1.00 0.01 H \nATOM 875 HG3 LYS A 908 -0.447 52.672 -0.528 1.00 0.01 H \nATOM 876 HD2 LYS A 908 -0.211 53.954 1.712 1.00 0.06 H \nATOM 877 HD3 LYS A 908 -1.823 53.263 2.099 1.00 0.06 H \nATOM 878 HE2 LYS A 908 -0.895 50.982 1.617 1.00 0.11 H \nATOM 879 HE3 LYS A 908 0.723 51.732 1.408 1.00 0.11 H \nATOM 880 HZ1 LYS A 908 -0.909 51.832 3.868 1.00 0.34 H \nATOM 881 HZ2 LYS A 908 0.403 50.868 3.626 1.00 0.34 H \nATOM 882 HZ3 LYS A 908 0.581 52.504 3.675 1.00 0.34 H \nATOM 883 H LYS A 908 -2.184 56.674 -1.980 1.00 0.27 H \nATOM 884 N SER A 909 -2.474 52.713 -3.139 1.00 -0.42 N \nATOM 885 CA SER A 909 -3.523 51.854 -3.680 1.00 -0.02 C \nATOM 886 C SER A 909 -3.172 50.397 -3.447 1.00 0.60 C \nATOM 887 O SER A 909 -2.050 50.076 -3.031 1.00 -0.57 O \nATOM 888 CB SER A 909 -3.721 52.138 -5.168 1.00 0.21 C \nATOM 889 OG SER A 909 -2.569 51.811 -5.908 1.00 -0.65 O \nATOM 890 HA SER A 909 -4.464 52.074 -3.155 1.00 0.08 H \nATOM 891 HB2 SER A 909 -4.567 51.539 -5.538 1.00 0.04 H \nATOM 892 HB3 SER A 909 -3.942 53.207 -5.303 1.00 0.04 H \nATOM 893 HG SER A 909 -2.720 51.997 -6.827 1.00 0.43 H \nATOM 894 H SER A 909 -1.516 52.454 -3.266 1.00 0.27 H \nATOM 895 N LEU A 910 -4.143 49.520 -3.689 1.00 -0.42 N \nATOM 896 CA LEU A 910 -3.939 48.078 -3.527 1.00 -0.05 C \nATOM 897 C LEU A 910 -3.312 47.509 -4.788 1.00 0.60 C \nATOM 898 O LEU A 910 -3.584 47.979 -5.899 1.00 -0.57 O \nATOM 899 CB LEU A 910 -5.266 47.369 -3.281 1.00 -0.11 C \nATOM 900 CG LEU A 910 -5.991 47.649 -1.967 1.00 0.35 C \nATOM 901 CD1 LEU A 910 -7.399 47.078 -2.036 1.00 -0.41 C \nATOM 902 CD2 LEU A 910 -5.222 47.062 -0.795 1.00 -0.41 C \nATOM 903 HA LEU A 910 -3.269 47.903 -2.672 1.00 0.09 H \nATOM 904 HB2 LEU A 910 -5.946 47.653 -4.098 1.00 0.05 H \nATOM 905 HB3 LEU A 910 -5.073 46.287 -3.325 1.00 0.05 H \nATOM 906 HG LEU A 910 -6.060 48.738 -1.827 1.00 -0.04 H \nATOM 907 HD21 LEU A 910 -4.216 47.505 -0.758 1.00 0.10 H \nATOM 908 HD22 LEU A 910 -5.755 47.283 0.141 1.00 0.10 H \nATOM 909 HD23 LEU A 910 -5.138 45.972 -0.920 1.00 0.10 H \nATOM 910 HD11 LEU A 910 -7.347 45.994 -2.213 1.00 0.10 H \nATOM 911 HD12 LEU A 910 -7.919 47.270 -1.086 1.00 0.10 H \nATOM 912 HD13 LEU A 910 -7.949 47.558 -2.859 1.00 0.10 H \nATOM 913 H LEU A 910 -5.036 49.854 -3.990 1.00 0.27 H \nATOM 914 N LYS A 911 -2.480 46.484 -4.617 1.00 -0.35 N \nATOM 915 CA LYS A 911 -1.967 45.724 -5.753 1.00 -0.24 C \nATOM 916 C LYS A 911 -2.998 44.644 -6.112 1.00 0.73 C \nATOM 917 O LYS A 911 -3.564 44.018 -5.212 1.00 -0.59 O \nATOM 918 CB LYS A 911 -0.620 45.088 -5.418 1.00 -0.01 C \nATOM 919 CG LYS A 911 0.391 46.062 -4.830 1.00 0.02 C \nATOM 920 CD LYS A 911 1.772 45.441 -4.690 1.00 -0.05 C \nATOM 921 CE LYS A 911 2.508 45.421 -6.023 1.00 -0.01 C \nATOM 922 NZ LYS A 911 3.915 44.955 -5.892 1.00 -0.39 N \nATOM 923 HA LYS A 911 -1.835 46.400 -6.611 1.00 0.14 H \nATOM 924 HB2 LYS A 911 -0.789 44.282 -4.689 1.00 0.04 H \nATOM 925 HB3 LYS A 911 -0.197 44.665 -6.341 1.00 0.04 H \nATOM 926 HG2 LYS A 911 0.462 46.940 -5.489 1.00 0.01 H \nATOM 927 HG3 LYS A 911 0.042 46.378 -3.836 1.00 0.01 H \nATOM 928 HD2 LYS A 911 2.357 46.028 -3.967 1.00 0.06 H \nATOM 929 HD3 LYS A 911 1.665 44.409 -4.324 1.00 0.06 H \nATOM 930 HE2 LYS A 911 1.976 44.746 -6.709 1.00 0.11 H \nATOM 931 HE3 LYS A 911 2.511 46.439 -6.439 1.00 0.11 H \nATOM 932 HZ1 LYS A 911 3.926 44.022 -5.509 1.00 0.34 H \nATOM 933 HZ2 LYS A 911 4.354 44.951 -6.800 1.00 0.34 H \nATOM 934 HZ3 LYS A 911 4.419 45.576 -5.278 1.00 0.34 H \nATOM 935 H LYS A 911 -2.201 46.229 -3.691 1.00 0.27 H \nATOM 936 N PRO A 912 -3.259 44.431 -7.418 1.00 -0.25 N \nATOM 937 CA PRO A 912 -4.236 43.415 -7.850 1.00 -0.03 C \nATOM 938 C PRO A 912 -3.760 41.970 -7.690 1.00 0.59 C \nATOM 939 O PRO A 912 -2.943 41.670 -6.816 1.00 -0.57 O \nATOM 940 CB PRO A 912 -4.438 43.725 -9.343 1.00 -0.01 C \nATOM 941 CG PRO A 912 -3.861 45.081 -9.560 1.00 0.02 C \nATOM 942 CD PRO A 912 -2.757 45.212 -8.561 1.00 0.02 C \nATOM 943 HA PRO A 912 -5.176 43.540 -7.293 1.00 0.06 H \nATOM 944 HD3 PRO A 912 -2.597 46.264 -8.283 1.00 0.04 H \nATOM 945 HD2 PRO A 912 -1.819 44.789 -8.949 1.00 0.04 H \nATOM 946 HG3 PRO A 912 -4.625 45.855 -9.392 1.00 0.02 H \nATOM 947 HG2 PRO A 912 -3.466 45.171 -10.583 1.00 0.02 H \nATOM 948 HB2 PRO A 912 -3.914 42.982 -9.962 1.00 0.03 H \nATOM 949 HB3 PRO A 912 -5.509 43.720 -9.593 1.00 0.03 H \nTER 950 PRO A 912 \nATOM 951 N HIS A 918 -8.209 42.935 0.713 1.00 -0.82 N \nATOM 952 CA HIS A 918 -7.594 43.901 1.640 1.00 0.04 C \nATOM 953 C HIS A 918 -8.151 45.309 1.562 1.00 0.62 C \nATOM 954 O HIS A 918 -7.681 46.209 2.266 1.00 -0.50 O \nATOM 955 CB HIS A 918 -6.080 43.933 1.441 1.00 -0.10 C \nATOM 956 CG HIS A 918 -5.414 42.597 1.661 1.00 -0.03 C \nATOM 957 ND1 HIS A 918 -5.158 42.110 2.890 1.00 -0.15 N \nATOM 958 CD2 HIS A 918 -4.968 41.635 0.755 1.00 0.20 C \nATOM 959 CE1 HIS A 918 -4.574 40.904 2.780 1.00 0.24 C \nATOM 960 NE2 HIS A 918 -4.458 40.614 1.472 1.00 -0.50 N \nATOM 961 HA HIS A 918 -7.792 43.535 2.658 1.00 0.05 H \nATOM 962 HB2 HIS A 918 -5.871 44.261 0.412 1.00 0.04 H \nATOM 963 HB3 HIS A 918 -5.651 44.656 2.150 1.00 0.04 H \nATOM 964 HD2 HIS A 918 -5.022 41.697 -0.331 1.00 0.02 H \nATOM 965 HE1 HIS A 918 -4.251 40.272 3.606 1.00 0.04 H \nATOM 966 HD1 HIS A 918 -5.376 42.587 3.776 1.00 0.23 H \nATOM 967 H HIS A 918 -8.941 43.229 0.098 1.00 0.30 H \nATOM 968 HNCA HIS A 918 -7.888 41.967 0.699 1.00 0.30 H \nATOM 969 N ILE A 919 -9.173 45.516 0.734 1.00 -0.42 N \nATOM 970 CA ILE A 919 -9.825 46.818 0.622 1.00 -0.06 C \nATOM 971 C ILE A 919 -10.218 47.318 2.000 1.00 0.60 C \nATOM 972 O ILE A 919 -10.028 48.490 2.315 1.00 -0.57 O \nATOM 973 CB ILE A 919 -11.069 46.759 -0.289 1.00 0.13 C \nATOM 974 CG1 ILE A 919 -10.652 46.559 -1.748 1.00 -0.04 C \nATOM 975 CG2 ILE A 919 -11.882 48.041 -0.187 1.00 -0.32 C \nATOM 976 CD1 ILE A 919 -11.819 46.393 -2.702 1.00 -0.07 C \nATOM 977 HA ILE A 919 -9.108 47.526 0.182 1.00 0.09 H \nATOM 978 HB ILE A 919 -11.696 45.912 0.026 1.00 0.02 H \nATOM 979 HG12 ILE A 919 -10.067 47.435 -2.065 1.00 0.02 H \nATOM 980 HG13 ILE A 919 -10.024 45.658 -1.809 1.00 0.02 H \nATOM 981 HD11 ILE A 919 -12.459 47.286 -2.657 1.00 0.02 H \nATOM 982 HD12 ILE A 919 -11.440 46.265 -3.727 1.00 0.02 H \nATOM 983 HD13 ILE A 919 -12.404 45.507 -2.415 1.00 0.02 H \nATOM 984 HG21 ILE A 919 -11.257 48.896 -0.485 1.00 0.09 H \nATOM 985 HG22 ILE A 919 -12.755 47.975 -0.853 1.00 0.09 H \nATOM 986 HG23 ILE A 919 -12.221 48.178 0.850 1.00 0.09 H \nATOM 987 H ILE A 919 -9.504 44.758 0.172 1.00 0.27 H \nATOM 988 N ALA A 920 -10.745 46.427 2.834 1.00 -0.42 N \nATOM 989 CA ALA A 920 -11.152 46.802 4.179 1.00 0.03 C \nATOM 990 C ALA A 920 -9.987 47.399 4.984 1.00 0.60 C \nATOM 991 O ALA A 920 -10.154 48.408 5.669 1.00 -0.57 O \nATOM 992 CB ALA A 920 -11.752 45.606 4.908 1.00 -0.18 C \nATOM 993 HA ALA A 920 -11.931 47.574 4.092 1.00 0.08 H \nATOM 994 HB1 ALA A 920 -12.054 45.908 5.922 1.00 0.06 H \nATOM 995 HB2 ALA A 920 -12.632 45.244 4.356 1.00 0.06 H \nATOM 996 HB3 ALA A 920 -11.004 44.802 4.972 1.00 0.06 H \nATOM 997 H ALA A 920 -10.864 45.481 2.531 1.00 0.27 H \nATOM 998 N ASP A 921 -8.815 46.779 4.899 1.00 -0.52 N \nATOM 999 CA ASP A 921 -7.639 47.280 5.612 1.00 0.04 C \nATOM 1000 C ASP A 921 -7.213 48.659 5.127 1.00 0.54 C \nATOM 1001 O ASP A 921 -6.855 49.516 5.928 1.00 -0.58 O \nATOM 1002 CB ASP A 921 -6.458 46.327 5.463 1.00 -0.03 C \nATOM 1003 CG ASP A 921 -6.670 45.006 6.184 1.00 0.80 C \nATOM 1004 OD1 ASP A 921 -7.215 45.003 7.310 1.00 -0.80 O \nATOM 1005 OD2 ASP A 921 -6.268 43.970 5.615 1.00 -0.80 O \nATOM 1006 HA ASP A 921 -7.898 47.353 6.679 1.00 0.09 H \nATOM 1007 HB2 ASP A 921 -6.305 46.122 4.393 1.00 -0.01 H \nATOM 1008 HB3 ASP A 921 -5.561 46.812 5.876 1.00 -0.01 H \nATOM 1009 H ASP A 921 -8.735 45.955 4.338 1.00 0.29 H \nATOM 1010 N LEU A 922 -7.224 48.861 3.817 1.00 -0.42 N \nATOM 1011 CA LEU A 922 -6.888 50.165 3.266 1.00 -0.05 C \nATOM 1012 C LEU A 922 -7.878 51.239 3.708 1.00 0.60 C \nATOM 1013 O LEU A 922 -7.471 52.345 4.036 1.00 -0.57 O \nATOM 1014 CB LEU A 922 -6.816 50.104 1.746 1.00 -0.11 C \nATOM 1015 CG LEU A 922 -6.432 51.403 1.056 1.00 0.35 C \nATOM 1016 CD1 LEU A 922 -5.102 51.915 1.608 1.00 -0.41 C \nATOM 1017 CD2 LEU A 922 -6.355 51.197 -0.443 1.00 -0.41 C \nATOM 1018 HA LEU A 922 -5.894 50.445 3.645 1.00 0.09 H \nATOM 1019 HB2 LEU A 922 -6.071 49.342 1.472 1.00 0.05 H \nATOM 1020 HB3 LEU A 922 -7.805 49.801 1.372 1.00 0.05 H \nATOM 1021 HG LEU A 922 -7.208 52.154 1.264 1.00 -0.04 H \nATOM 1022 HD21 LEU A 922 -7.332 50.856 -0.817 1.00 0.10 H \nATOM 1023 HD22 LEU A 922 -6.087 52.146 -0.930 1.00 0.10 H \nATOM 1024 HD23 LEU A 922 -5.591 50.439 -0.670 1.00 0.10 H \nATOM 1025 HD11 LEU A 922 -4.320 51.160 1.438 1.00 0.10 H \nATOM 1026 HD12 LEU A 922 -4.828 52.849 1.096 1.00 0.10 H \nATOM 1027 HD13 LEU A 922 -5.201 52.104 2.687 1.00 0.10 H \nATOM 1028 H LEU A 922 -7.465 48.110 3.202 1.00 0.27 H \nATOM 1029 N LYS A 923 -9.172 50.922 3.729 1.00 -0.35 N \nATOM 1030 CA LYS A 923 -10.174 51.884 4.207 1.00 -0.24 C \nATOM 1031 C LYS A 923 -9.965 52.241 5.660 1.00 0.73 C \nATOM 1032 O LYS A 923 -10.220 53.383 6.084 1.00 -0.59 O \nATOM 1033 CB LYS A 923 -11.588 51.320 4.037 1.00 -0.01 C \nATOM 1034 CG LYS A 923 -12.073 51.263 2.602 1.00 0.02 C \nATOM 1035 CD LYS A 923 -13.493 50.691 2.562 1.00 -0.05 C \nATOM 1036 CE LYS A 923 -14.258 51.086 1.307 1.00 -0.01 C \nATOM 1037 NZ LYS A 923 -13.654 50.535 0.063 1.00 -0.39 N \nATOM 1038 HA LYS A 923 -10.084 52.801 3.605 1.00 0.14 H \nATOM 1039 HB2 LYS A 923 -11.602 50.299 4.445 1.00 0.04 H \nATOM 1040 HB3 LYS A 923 -12.282 51.953 4.609 1.00 0.04 H \nATOM 1041 HG2 LYS A 923 -12.075 52.277 2.176 1.00 0.01 H \nATOM 1042 HG3 LYS A 923 -11.402 50.619 2.014 1.00 0.01 H \nATOM 1043 HD2 LYS A 923 -13.430 49.594 2.603 1.00 0.06 H \nATOM 1044 HD3 LYS A 923 -14.044 51.060 3.439 1.00 0.06 H \nATOM 1045 HE2 LYS A 923 -15.289 50.712 1.392 1.00 0.11 H \nATOM 1046 HE3 LYS A 923 -14.271 52.184 1.235 1.00 0.11 H \nATOM 1047 HZ1 LYS A 923 -13.635 49.529 0.116 1.00 0.34 H \nATOM 1048 HZ2 LYS A 923 -14.204 50.819 -0.732 1.00 0.34 H \nATOM 1049 HZ3 LYS A 923 -12.714 50.884 -0.037 1.00 0.34 H \nATOM 1050 H LYS A 923 -9.465 50.019 3.416 1.00 0.27 H \nATOM 1051 N LYS A 924 -9.514 51.266 6.444 1.00 -0.35 N \nATOM 1052 CA LYS A 924 -9.246 51.508 7.851 1.00 -0.24 C \nATOM 1053 C LYS A 924 -8.000 52.380 8.008 1.00 0.73 C \nATOM 1054 O LYS A 924 -7.940 53.262 8.875 1.00 -0.59 O \nATOM 1055 CB LYS A 924 -9.029 50.196 8.606 1.00 -0.01 C \nATOM 1056 CG LYS A 924 -10.254 49.302 8.701 1.00 0.02 C \nATOM 1057 CD LYS A 924 -9.907 47.982 9.383 1.00 -0.05 C \nATOM 1058 CE LYS A 924 -10.878 46.869 9.020 1.00 -0.01 C \nATOM 1059 NZ LYS A 924 -10.349 45.545 9.443 1.00 -0.39 N \nATOM 1060 HA LYS A 924 -10.109 52.032 8.288 1.00 0.14 H \nATOM 1061 HB2 LYS A 924 -8.235 49.634 8.093 1.00 0.04 H \nATOM 1062 HB3 LYS A 924 -8.704 50.440 9.628 1.00 0.04 H \nATOM 1063 HG2 LYS A 924 -11.032 49.816 9.284 1.00 0.01 H \nATOM 1064 HG3 LYS A 924 -10.631 49.097 7.688 1.00 0.01 H \nATOM 1065 HD2 LYS A 924 -8.894 47.681 9.076 1.00 0.06 H \nATOM 1066 HD3 LYS A 924 -9.931 48.130 10.473 1.00 0.06 H \nATOM 1067 HE2 LYS A 924 -11.839 47.051 9.524 1.00 0.11 H \nATOM 1068 HE3 LYS A 924 -11.030 46.865 7.931 1.00 0.11 H \nATOM 1069 HZ1 LYS A 924 -10.202 45.545 10.440 1.00 0.34 H \nATOM 1070 HZ2 LYS A 924 -11.012 44.825 9.201 1.00 0.34 H \nATOM 1071 HZ3 LYS A 924 -9.475 45.367 8.974 1.00 0.34 H \nATOM 1072 H LYS A 924 -9.358 50.356 6.060 1.00 0.27 H \nATOM 1073 N GLU A 925 -6.992 52.107 7.193 1.00 -0.52 N \nATOM 1074 CA GLU A 925 -5.802 52.953 7.175 1.00 0.04 C \nATOM 1075 C GLU A 925 -6.175 54.396 6.816 1.00 0.54 C \nATOM 1076 O GLU A 925 -5.702 55.341 7.440 1.00 -0.58 O \nATOM 1077 CB GLU A 925 -4.763 52.407 6.204 1.00 0.06 C \nATOM 1078 CG GLU A 925 -3.567 53.332 6.031 1.00 0.01 C \nATOM 1079 CD GLU A 925 -2.438 52.717 5.213 1.00 0.81 C \nATOM 1080 OE1 GLU A 925 -2.646 51.671 4.559 1.00 -0.82 O \nATOM 1081 OE2 GLU A 925 -1.321 53.288 5.235 1.00 -0.82 O \nATOM 1082 HA GLU A 925 -5.363 52.951 8.184 1.00 0.11 H \nATOM 1083 HB2 GLU A 925 -4.405 51.438 6.582 1.00 -0.02 H \nATOM 1084 HB3 GLU A 925 -5.240 52.264 5.223 1.00 -0.02 H \nATOM 1085 HG2 GLU A 925 -3.905 54.248 5.525 1.00 -0.04 H \nATOM 1086 HG3 GLU A 925 -3.177 53.587 7.027 1.00 -0.04 H \nATOM 1087 H GLU A 925 -7.046 51.315 6.585 1.00 0.29 H \nATOM 1088 N ILE A 926 -7.041 54.561 5.821 1.00 -0.42 N \nATOM 1089 CA ILE A 926 -7.466 55.893 5.408 1.00 -0.06 C \nATOM 1090 C ILE A 926 -8.185 56.632 6.508 1.00 0.60 C \nATOM 1091 O ILE A 926 -7.935 57.805 6.724 1.00 -0.57 O \nATOM 1092 CB ILE A 926 -8.399 55.833 4.197 1.00 0.13 C \nATOM 1093 CG1 ILE A 926 -7.610 55.405 2.975 1.00 -0.04 C \nATOM 1094 CG2 ILE A 926 -9.055 57.185 3.971 1.00 -0.32 C \nATOM 1095 CD1 ILE A 926 -8.467 54.976 1.809 1.00 -0.07 C \nATOM 1096 HA ILE A 926 -6.567 56.463 5.133 1.00 0.09 H \nATOM 1097 HB ILE A 926 -9.186 55.089 4.389 1.00 0.02 H \nATOM 1098 HG12 ILE A 926 -6.986 56.251 2.652 1.00 0.02 H \nATOM 1099 HG13 ILE A 926 -6.964 54.561 3.259 1.00 0.02 H \nATOM 1100 HD11 ILE A 926 -9.120 55.808 1.508 1.00 0.02 H \nATOM 1101 HD12 ILE A 926 -7.822 54.692 0.964 1.00 0.02 H \nATOM 1102 HD13 ILE A 926 -9.084 54.114 2.105 1.00 0.02 H \nATOM 1103 HG21 ILE A 926 -8.279 57.945 3.800 1.00 0.09 H \nATOM 1104 HG22 ILE A 926 -9.714 57.130 3.092 1.00 0.09 H \nATOM 1105 HG23 ILE A 926 -9.647 57.458 4.857 1.00 0.09 H \nATOM 1106 H ILE A 926 -7.407 53.759 5.349 1.00 0.27 H \nATOM 1107 N GLU A 927 -9.081 55.942 7.205 1.00 -0.52 N \nATOM 1108 CA GLU A 927 -9.807 56.525 8.321 1.00 0.04 C \nATOM 1109 C GLU A 927 -8.895 56.890 9.494 1.00 0.54 C \nATOM 1110 O GLU A 927 -9.135 57.872 10.210 1.00 -0.58 O \nATOM 1111 CB GLU A 927 -10.897 55.545 8.787 1.00 0.06 C \nATOM 1112 CG GLU A 927 -12.131 56.218 9.336 1.00 0.01 C \nATOM 1113 CD GLU A 927 -12.646 57.326 8.438 1.00 0.81 C \nATOM 1114 OE1 GLU A 927 -12.555 57.209 7.188 1.00 -0.82 O \nATOM 1115 OE2 GLU A 927 -13.114 58.332 8.994 1.00 -0.82 O \nATOM 1116 HA GLU A 927 -10.291 57.448 7.969 1.00 0.11 H \nATOM 1117 HB2 GLU A 927 -11.194 54.924 7.929 1.00 -0.02 H \nATOM 1118 HB3 GLU A 927 -10.473 54.904 9.574 1.00 -0.02 H \nATOM 1119 HG2 GLU A 927 -12.922 55.462 9.450 1.00 -0.04 H \nATOM 1120 HG3 GLU A 927 -11.889 56.647 10.320 1.00 -0.04 H \nATOM 1121 H GLU A 927 -9.262 54.991 6.954 1.00 0.29 H \nATOM 1122 N ILE A 928 -7.856 56.091 9.708 1.00 -0.42 N \nATOM 1123 CA ILE A 928 -6.888 56.400 10.758 1.00 -0.06 C \nATOM 1124 C ILE A 928 -6.143 57.689 10.391 1.00 0.60 C \nATOM 1125 O ILE A 928 -6.150 58.644 11.150 1.00 -0.57 O \nATOM 1126 CB ILE A 928 -5.900 55.241 10.966 1.00 0.13 C \nATOM 1127 CG1 ILE A 928 -6.599 54.089 11.693 1.00 -0.04 C \nATOM 1128 CG2 ILE A 928 -4.681 55.692 11.756 1.00 -0.32 C \nATOM 1129 CD1 ILE A 928 -5.707 52.884 11.900 1.00 -0.07 C \nATOM 1130 HA ILE A 928 -7.432 56.563 11.700 1.00 0.09 H \nATOM 1131 HB ILE A 928 -5.565 54.886 9.980 1.00 0.02 H \nATOM 1132 HG12 ILE A 928 -6.934 54.449 12.677 1.00 0.02 H \nATOM 1133 HG13 ILE A 928 -7.472 53.780 11.099 1.00 0.02 H \nATOM 1134 HD11 ILE A 928 -4.828 53.176 12.493 1.00 0.02 H \nATOM 1135 HD12 ILE A 928 -6.266 52.102 12.434 1.00 0.02 H \nATOM 1136 HD13 ILE A 928 -5.379 52.498 10.923 1.00 0.02 H \nATOM 1137 HG21 ILE A 928 -5.000 56.072 12.738 1.00 0.09 H \nATOM 1138 HG22 ILE A 928 -3.999 54.840 11.897 1.00 0.09 H \nATOM 1139 HG23 ILE A 928 -4.162 56.490 11.205 1.00 0.09 H \nATOM 1140 H ILE A 928 -7.735 55.272 9.147 1.00 0.27 H \nATOM 1141 N LEU A 929 -5.544 57.717 9.202 1.00 -0.42 N \nATOM 1142 CA LEU A 929 -4.691 58.835 8.801 1.00 -0.05 C \nATOM 1143 C LEU A 929 -5.484 60.137 8.669 1.00 0.60 C \nATOM 1144 O LEU A 929 -5.014 61.206 9.034 1.00 -0.57 O \nATOM 1145 CB LEU A 929 -3.983 58.531 7.474 1.00 -0.11 C \nATOM 1146 CG LEU A 929 -2.977 59.605 7.041 1.00 0.35 C \nATOM 1147 CD1 LEU A 929 -1.914 59.785 8.101 1.00 -0.41 C \nATOM 1148 CD2 LEU A 929 -2.340 59.289 5.690 1.00 -0.41 C \nATOM 1149 HA LEU A 929 -3.926 58.975 9.579 1.00 0.09 H \nATOM 1150 HB2 LEU A 929 -3.446 57.577 7.580 1.00 0.05 H \nATOM 1151 HB3 LEU A 929 -4.747 58.437 6.688 1.00 0.05 H \nATOM 1152 HG LEU A 929 -3.523 60.555 6.940 1.00 -0.04 H \nATOM 1153 HD21 LEU A 929 -3.125 59.216 4.923 1.00 0.10 H \nATOM 1154 HD22 LEU A 929 -1.637 60.090 5.420 1.00 0.10 H \nATOM 1155 HD23 LEU A 929 -1.799 58.333 5.754 1.00 0.10 H \nATOM 1156 HD11 LEU A 929 -1.389 58.832 8.259 1.00 0.10 H \nATOM 1157 HD12 LEU A 929 -1.195 60.550 7.773 1.00 0.10 H \nATOM 1158 HD13 LEU A 929 -2.385 60.105 9.042 1.00 0.10 H \nATOM 1159 H LEU A 929 -5.681 56.956 8.568 1.00 0.27 H \nATOM 1160 N ARG A 930 -6.692 60.010 8.144 1.00 -0.35 N \nATOM 1161 CA ARG A 930 -7.637 61.114 7.971 1.00 -0.26 C \nATOM 1162 C ARG A 930 -7.835 61.934 9.239 1.00 0.73 C \nATOM 1163 O ARG A 930 -8.070 63.149 9.184 1.00 -0.59 O \nATOM 1164 CB ARG A 930 -8.970 60.498 7.562 1.00 -0.00 C \nATOM 1165 CG ARG A 930 -9.963 61.429 6.953 1.00 0.04 C \nATOM 1166 CD ARG A 930 -11.294 60.720 6.696 1.00 0.05 C \nATOM 1167 NE ARG A 930 -12.235 61.758 6.989 1.00 -0.53 N \nATOM 1168 CZ ARG A 930 -13.127 61.788 7.965 1.00 0.81 C \nATOM 1169 NH1 ARG A 930 -13.819 62.902 8.094 1.00 -0.86 N \nATOM 1170 NH2 ARG A 930 -13.405 60.746 8.741 1.00 -0.86 N \nATOM 1171 HA ARG A 930 -7.272 61.779 7.175 1.00 0.16 H \nATOM 1172 HB2 ARG A 930 -8.763 59.703 6.831 1.00 0.03 H \nATOM 1173 HB3 ARG A 930 -9.428 60.060 8.461 1.00 0.03 H \nATOM 1174 HG2 ARG A 930 -10.132 62.273 7.638 1.00 0.03 H \nATOM 1175 HG3 ARG A 930 -9.566 61.805 5.999 1.00 0.03 H \nATOM 1176 HD2 ARG A 930 -11.376 60.387 5.651 1.00 0.07 H \nATOM 1177 HD3 ARG A 930 -11.426 59.858 7.367 1.00 0.07 H \nATOM 1178 HE ARG A 930 -12.215 62.578 6.366 1.00 0.35 H \nATOM 1179 HH12 ARG A 930 -14.528 62.985 8.836 1.00 0.45 H \nATOM 1180 HH11 ARG A 930 -13.651 63.690 7.453 1.00 0.45 H \nATOM 1181 HH22 ARG A 930 -14.111 60.832 9.486 1.00 0.45 H \nATOM 1182 HH21 ARG A 930 -12.914 59.852 8.598 1.00 0.45 H \nATOM 1183 H ARG A 930 -6.978 59.099 7.846 1.00 0.27 H \nATOM 1184 N ASN A 931 -7.740 61.258 10.381 1.00 -0.42 N \nATOM 1185 CA ASN A 931 -7.994 61.872 11.674 1.00 0.01 C \nATOM 1186 C ASN A 931 -6.758 62.143 12.518 1.00 0.60 C \nATOM 1187 O ASN A 931 -6.889 62.578 13.658 1.00 -0.57 O \nATOM 1188 CB ASN A 931 -8.983 61.006 12.456 1.00 -0.20 C \nATOM 1189 CG ASN A 931 -10.378 61.045 11.864 1.00 0.71 C \nATOM 1190 OD1 ASN A 931 -11.134 61.986 12.103 1.00 -0.59 O \nATOM 1191 ND2 ASN A 931 -10.724 60.023 11.070 1.00 -0.92 N \nATOM 1192 HA ASN A 931 -8.469 62.845 11.482 1.00 0.10 H \nATOM 1193 HB2 ASN A 931 -8.625 59.966 12.448 1.00 0.08 H \nATOM 1194 HB3 ASN A 931 -9.029 61.370 13.493 1.00 0.08 H \nATOM 1195 HD22 ASN A 931 -11.633 59.999 10.653 1.00 0.42 H \nATOM 1196 HD21 ASN A 931 -10.074 59.284 10.894 1.00 0.42 H \nATOM 1197 H ASN A 931 -7.484 60.292 10.349 1.00 0.27 H \nATOM 1198 N LEU A 932 -5.562 61.904 11.975 1.00 -0.42 N \nATOM 1199 CA LEU A 932 -4.328 62.266 12.671 1.00 -0.05 C \nATOM 1200 C LEU A 932 -3.930 63.666 12.211 1.00 0.60 C \nATOM 1201 O LEU A 932 -3.913 63.945 11.008 1.00 -0.57 O \nATOM 1202 CB LEU A 932 -3.195 61.256 12.393 1.00 -0.11 C \nATOM 1203 CG LEU A 932 -3.434 59.794 12.825 1.00 0.35 C \nATOM 1204 CD1 LEU A 932 -2.309 58.858 12.369 1.00 -0.41 C \nATOM 1205 CD2 LEU A 932 -3.597 59.684 14.329 1.00 -0.41 C \nATOM 1206 HA LEU A 932 -4.520 62.282 13.754 1.00 0.09 H \nATOM 1207 HB2 LEU A 932 -3.011 61.255 11.309 1.00 0.05 H \nATOM 1208 HB3 LEU A 932 -2.296 61.614 12.917 1.00 0.05 H \nATOM 1209 HG LEU A 932 -4.368 59.457 12.353 1.00 -0.04 H \nATOM 1210 HD21 LEU A 932 -4.452 60.297 14.651 1.00 0.10 H \nATOM 1211 HD22 LEU A 932 -3.776 58.634 14.603 1.00 0.10 H \nATOM 1212 HD23 LEU A 932 -2.682 60.041 14.824 1.00 0.10 H \nATOM 1213 HD11 LEU A 932 -1.354 59.196 12.798 1.00 0.10 H \nATOM 1214 HD12 LEU A 932 -2.523 57.834 12.710 1.00 0.10 H \nATOM 1215 HD13 LEU A 932 -2.243 58.872 11.271 1.00 0.10 H \nATOM 1216 H LEU A 932 -5.509 61.469 11.076 1.00 0.27 H \nATOM 1217 N TYR A 933 -3.656 64.549 13.173 1.00 -0.42 N \nATOM 1218 CA TYR A 933 -3.156 65.900 12.886 1.00 -0.00 C \nATOM 1219 C TYR A 933 -1.959 66.203 13.774 1.00 0.60 C \nATOM 1220 O TYR A 933 -2.103 66.461 14.969 1.00 -0.57 O \nATOM 1221 CB TYR A 933 -4.238 66.956 13.135 1.00 -0.02 C \nATOM 1222 CG TYR A 933 -5.501 66.780 12.334 1.00 -0.00 C \nATOM 1223 CD1 TYR A 933 -6.611 66.135 12.880 1.00 -0.19 C \nATOM 1224 CD2 TYR A 933 -5.603 67.280 11.035 1.00 -0.19 C \nATOM 1225 CE1 TYR A 933 -7.779 65.980 12.152 1.00 -0.23 C \nATOM 1226 CE2 TYR A 933 -6.769 67.130 10.299 1.00 -0.23 C \nATOM 1227 CZ TYR A 933 -7.853 66.479 10.864 1.00 0.32 C \nATOM 1228 OH TYR A 933 -9.016 66.321 10.148 1.00 -0.56 O \nATOM 1229 HA TYR A 933 -2.847 65.947 11.831 1.00 0.09 H \nATOM 1230 HB3 TYR A 933 -4.504 66.926 14.202 1.00 0.03 H \nATOM 1231 HB2 TYR A 933 -3.815 67.941 12.891 1.00 0.03 H \nATOM 1232 HD2 TYR A 933 -4.757 67.794 10.594 1.00 0.17 H \nATOM 1233 HE2 TYR A 933 -6.831 67.519 9.289 1.00 0.17 H \nATOM 1234 HE1 TYR A 933 -8.630 65.471 12.589 1.00 0.17 H \nATOM 1235 HD1 TYR A 933 -6.558 65.749 13.891 1.00 0.17 H \nATOM 1236 HH TYR A 933 -9.654 65.858 10.678 1.00 0.40 H \nATOM 1237 H TYR A 933 -3.796 64.281 14.126 1.00 0.27 H \nATOM 1238 N HIS A 934 -0.771 66.162 13.186 1.00 -0.42 N \nATOM 1239 CA HIS A 934 0.460 66.391 13.923 1.00 0.02 C \nATOM 1240 C HIS A 934 1.519 66.749 12.927 1.00 0.60 C \nATOM 1241 O HIS A 934 1.519 66.230 11.815 1.00 -0.57 O \nATOM 1242 CB HIS A 934 0.841 65.139 14.703 1.00 -0.05 C \nATOM 1243 CG HIS A 934 1.950 65.352 15.686 1.00 -0.03 C \nATOM 1244 ND1 HIS A 934 3.257 65.292 15.337 1.00 -0.38 N \nATOM 1245 CD2 HIS A 934 1.915 65.659 17.042 1.00 0.13 C \nATOM 1246 CE1 HIS A 934 4.010 65.533 16.428 1.00 0.21 C \nATOM 1247 NE2 HIS A 934 3.186 65.759 17.465 1.00 -0.57 N \nATOM 1248 HA HIS A 934 0.322 67.224 14.628 1.00 0.09 H \nATOM 1249 HB2 HIS A 934 -0.046 64.789 15.252 1.00 0.04 H \nATOM 1250 HB3 HIS A 934 1.157 64.367 13.986 1.00 0.04 H \nATOM 1251 HD2 HIS A 934 1.021 65.794 17.649 1.00 0.11 H \nATOM 1252 HE1 HIS A 934 5.098 65.543 16.463 1.00 0.14 H \nATOM 1253 HD1 HIS A 934 3.617 65.094 14.392 1.00 0.36 H \nATOM 1254 H HIS A 934 -0.721 65.968 12.206 1.00 0.27 H \nATOM 1255 N GLU A 935 2.421 67.655 13.297 1.00 -0.52 N \nATOM 1256 CA GLU A 935 3.439 68.125 12.368 1.00 0.04 C \nATOM 1257 C GLU A 935 4.415 67.026 11.959 1.00 0.54 C \nATOM 1258 O GLU A 935 5.022 67.105 10.890 1.00 -0.58 O \nATOM 1259 CB GLU A 935 4.195 69.347 12.922 1.00 0.06 C \nATOM 1260 CG GLU A 935 4.995 69.094 14.184 1.00 0.01 C \nATOM 1261 CD GLU A 935 5.528 70.381 14.798 1.00 0.81 C \nATOM 1262 OE1 GLU A 935 4.732 71.311 15.030 1.00 -0.82 O \nATOM 1263 OE2 GLU A 935 6.745 70.471 15.046 1.00 -0.82 O \nATOM 1264 HA GLU A 935 2.916 68.449 11.456 1.00 0.11 H \nATOM 1265 HB2 GLU A 935 4.889 69.699 12.144 1.00 -0.02 H \nATOM 1266 HB3 GLU A 935 3.457 70.134 13.139 1.00 -0.02 H \nATOM 1267 HG2 GLU A 935 4.348 68.593 14.919 1.00 -0.04 H \nATOM 1268 HG3 GLU A 935 5.845 68.441 13.939 1.00 -0.04 H \nATOM 1269 H GLU A 935 2.399 68.019 14.228 1.00 0.29 H \nATOM 1270 N ASN A 936 4.556 65.999 12.786 1.00 -0.42 N \nATOM 1271 CA ASN A 936 5.431 64.874 12.452 1.00 0.01 C \nATOM 1272 C ASN A 936 4.665 63.645 11.974 1.00 0.60 C \nATOM 1273 O ASN A 936 5.118 62.519 12.151 1.00 -0.57 O \nATOM 1274 CB ASN A 936 6.291 64.543 13.649 1.00 -0.20 C \nATOM 1275 CG ASN A 936 7.115 65.728 14.102 1.00 0.71 C \nATOM 1276 OD1 ASN A 936 7.947 66.257 13.355 1.00 -0.59 O \nATOM 1277 ND2 ASN A 936 6.900 66.145 15.334 1.00 -0.92 N \nATOM 1278 HA ASN A 936 6.091 65.192 11.631 1.00 0.10 H \nATOM 1279 HB2 ASN A 936 5.640 64.226 14.477 1.00 0.08 H \nATOM 1280 HB3 ASN A 936 6.970 63.720 13.381 1.00 0.08 H \nATOM 1281 HD22 ASN A 936 7.412 66.924 15.695 1.00 0.42 H \nATOM 1282 HD21 ASN A 936 6.225 65.682 15.908 1.00 0.42 H \nATOM 1283 H ASN A 936 4.056 65.993 13.652 1.00 0.27 H \nATOM 1284 N ILE A 937 3.501 63.867 11.369 1.00 -0.42 N \nATOM 1285 CA ILE A 937 2.740 62.796 10.721 1.00 -0.06 C \nATOM 1286 C ILE A 937 2.329 63.274 9.325 1.00 0.60 C \nATOM 1287 O ILE A 937 1.785 64.377 9.159 1.00 -0.57 O \nATOM 1288 CB ILE A 937 1.508 62.378 11.562 1.00 0.13 C \nATOM 1289 CG1 ILE A 937 1.971 61.622 12.806 1.00 -0.04 C \nATOM 1290 CG2 ILE A 937 0.561 61.509 10.742 1.00 -0.32 C \nATOM 1291 CD1 ILE A 937 0.856 61.157 13.708 1.00 -0.07 C \nATOM 1292 HA ILE A 937 3.393 61.917 10.614 1.00 0.09 H \nATOM 1293 HB ILE A 937 0.970 63.285 11.876 1.00 0.02 H \nATOM 1294 HG12 ILE A 937 2.539 60.739 12.479 1.00 0.02 H \nATOM 1295 HG13 ILE A 937 2.628 62.286 13.387 1.00 0.02 H \nATOM 1296 HD11 ILE A 937 0.187 60.487 13.148 1.00 0.02 H \nATOM 1297 HD12 ILE A 937 1.280 60.617 14.567 1.00 0.02 H \nATOM 1298 HD13 ILE A 937 0.287 62.028 14.067 1.00 0.02 H \nATOM 1299 HG21 ILE A 937 1.092 60.607 10.403 1.00 0.09 H \nATOM 1300 HG22 ILE A 937 -0.299 61.217 11.363 1.00 0.09 H \nATOM 1301 HG23 ILE A 937 0.207 62.076 9.868 1.00 0.09 H \nATOM 1302 H ILE A 937 3.133 64.797 11.356 1.00 0.27 H \nATOM 1303 N VAL A 938 2.602 62.448 8.318 1.00 -0.42 N \nATOM 1304 CA VAL A 938 2.351 62.827 6.934 1.00 -0.09 C \nATOM 1305 C VAL A 938 0.884 63.243 6.729 1.00 0.60 C \nATOM 1306 O VAL A 938 -0.026 62.619 7.272 1.00 -0.57 O \nATOM 1307 CB VAL A 938 2.698 61.697 5.949 1.00 0.30 C \nATOM 1308 CG1 VAL A 938 1.714 60.532 6.079 1.00 -0.32 C \nATOM 1309 CG2 VAL A 938 2.722 62.247 4.527 1.00 -0.32 C \nATOM 1310 HA VAL A 938 2.991 63.691 6.702 1.00 0.10 H \nATOM 1311 HB VAL A 938 3.703 61.322 6.192 1.00 -0.03 H \nATOM 1312 HG11 VAL A 938 0.694 60.889 5.873 1.00 0.08 H \nATOM 1313 HG12 VAL A 938 1.980 59.745 5.358 1.00 0.08 H \nATOM 1314 HG13 VAL A 938 1.761 60.125 7.100 1.00 0.08 H \nATOM 1315 HG21 VAL A 938 3.472 63.048 4.456 1.00 0.08 H \nATOM 1316 HG22 VAL A 938 2.980 61.440 3.826 1.00 0.08 H \nATOM 1317 HG23 VAL A 938 1.730 62.650 4.273 1.00 0.08 H \nATOM 1318 H VAL A 938 2.988 61.547 8.516 1.00 0.27 H \nATOM 1319 N LYS A 939 0.671 64.295 5.950 1.00 -0.35 N \nATOM 1320 CA LYS A 939 -0.661 64.875 5.779 1.00 -0.24 C \nATOM 1321 C LYS A 939 -1.548 64.075 4.825 1.00 0.73 C \nATOM 1322 O LYS A 939 -1.168 63.786 3.698 1.00 -0.59 O \nATOM 1323 CB LYS A 939 -0.582 66.316 5.280 1.00 -0.01 C \nATOM 1324 CG LYS A 939 -0.122 67.346 6.299 1.00 0.02 C \nATOM 1325 CD LYS A 939 -0.267 68.758 5.736 1.00 -0.05 C \nATOM 1326 CE LYS A 939 0.998 69.595 5.879 1.00 -0.01 C \nATOM 1327 NZ LYS A 939 1.090 70.250 7.206 1.00 -0.39 N \nATOM 1328 HA LYS A 939 -1.146 64.879 6.766 1.00 0.14 H \nATOM 1329 HB2 LYS A 939 0.120 66.342 4.434 1.00 0.04 H \nATOM 1330 HB3 LYS A 939 -1.584 66.608 4.934 1.00 0.04 H \nATOM 1331 HG2 LYS A 939 -0.734 67.254 7.208 1.00 0.01 H \nATOM 1332 HG3 LYS A 939 0.934 67.162 6.548 1.00 0.01 H \nATOM 1333 HD2 LYS A 939 -0.518 68.684 4.668 1.00 0.06 H \nATOM 1334 HD3 LYS A 939 -1.084 69.265 6.270 1.00 0.06 H \nATOM 1335 HE2 LYS A 939 1.872 68.941 5.745 1.00 0.11 H \nATOM 1336 HE3 LYS A 939 0.999 70.372 5.100 1.00 0.11 H \nATOM 1337 HZ1 LYS A 939 1.087 69.547 7.929 1.00 0.34 H \nATOM 1338 HZ2 LYS A 939 1.944 70.783 7.259 1.00 0.34 H \nATOM 1339 HZ3 LYS A 939 0.301 70.865 7.333 1.00 0.34 H \nATOM 1340 H LYS A 939 1.444 64.704 5.465 1.00 0.27 H \nATOM 1341 N TYR A 940 -2.733 63.724 5.312 1.00 -0.42 N \nATOM 1342 CA TYR A 940 -3.834 63.233 4.488 1.00 -0.00 C \nATOM 1343 C TYR A 940 -4.348 64.339 3.602 1.00 0.60 C \nATOM 1344 O TYR A 940 -4.600 65.429 4.083 1.00 -0.57 O \nATOM 1345 CB TYR A 940 -4.973 62.801 5.403 1.00 -0.02 C \nATOM 1346 CG TYR A 940 -6.294 62.503 4.726 1.00 -0.00 C \nATOM 1347 CD1 TYR A 940 -6.556 61.239 4.214 1.00 -0.19 C \nATOM 1348 CD2 TYR A 940 -7.292 63.477 4.630 1.00 -0.19 C \nATOM 1349 CE1 TYR A 940 -7.767 60.944 3.618 1.00 -0.23 C \nATOM 1350 CE2 TYR A 940 -8.517 63.196 4.039 1.00 -0.23 C \nATOM 1351 CZ TYR A 940 -8.747 61.918 3.534 1.00 0.32 C \nATOM 1352 OH TYR A 940 -9.959 61.611 2.950 1.00 -0.56 O \nATOM 1353 HA TYR A 940 -3.494 62.386 3.875 1.00 0.09 H \nATOM 1354 HB3 TYR A 940 -4.653 61.891 5.931 1.00 0.03 H \nATOM 1355 HB2 TYR A 940 -5.143 63.607 6.132 1.00 0.03 H \nATOM 1356 HD2 TYR A 940 -7.106 64.470 5.024 1.00 0.17 H \nATOM 1357 HE2 TYR A 940 -9.283 63.960 3.972 1.00 0.17 H \nATOM 1358 HE1 TYR A 940 -7.949 59.953 3.218 1.00 0.17 H \nATOM 1359 HD1 TYR A 940 -5.796 60.469 4.283 1.00 0.17 H \nATOM 1360 HH TYR A 940 -9.951 60.706 2.662 1.00 0.40 H \nATOM 1361 H TYR A 940 -2.879 63.800 6.298 1.00 0.27 H \nATOM 1362 N LYS A 941 -4.537 64.053 2.320 1.00 -0.35 N \nATOM 1363 CA LYS A 941 -5.122 65.027 1.388 1.00 -0.24 C \nATOM 1364 C LYS A 941 -6.523 64.632 0.934 1.00 0.73 C \nATOM 1365 O LYS A 941 -7.383 65.494 0.722 1.00 -0.59 O \nATOM 1366 CB LYS A 941 -4.219 65.236 0.180 1.00 -0.01 C \nATOM 1367 CG LYS A 941 -2.953 66.021 0.528 1.00 0.02 C \nATOM 1368 CD LYS A 941 -2.056 66.247 -0.677 1.00 -0.05 C \nATOM 1369 CE LYS A 941 -2.475 67.466 -1.475 1.00 -0.01 C \nATOM 1370 NZ LYS A 941 -2.224 68.749 -0.753 1.00 -0.39 N \nATOM 1371 HA LYS A 941 -5.203 65.986 1.921 1.00 0.14 H \nATOM 1372 HB2 LYS A 941 -3.927 64.253 -0.217 1.00 0.04 H \nATOM 1373 HB3 LYS A 941 -4.779 65.790 -0.588 1.00 0.04 H \nATOM 1374 HG2 LYS A 941 -3.246 66.999 0.937 1.00 0.01 H \nATOM 1375 HG3 LYS A 941 -2.388 65.460 1.287 1.00 0.01 H \nATOM 1376 HD2 LYS A 941 -1.022 66.388 -0.329 1.00 0.06 H \nATOM 1377 HD3 LYS A 941 -2.106 65.362 -1.328 1.00 0.06 H \nATOM 1378 HE2 LYS A 941 -1.910 67.478 -2.419 1.00 0.11 H \nATOM 1379 HE3 LYS A 941 -3.551 67.390 -1.692 1.00 0.11 H \nATOM 1380 HZ1 LYS A 941 -1.241 68.831 -0.546 1.00 0.34 H \nATOM 1381 HZ2 LYS A 941 -2.512 69.522 -1.332 1.00 0.34 H \nATOM 1382 HZ3 LYS A 941 -2.750 68.759 0.107 1.00 0.34 H \nATOM 1383 H LYS A 941 -4.274 63.150 1.979 1.00 0.27 H \nATOM 1384 N GLY A 942 -6.760 63.337 0.775 1.00 -0.42 N \nATOM 1385 CA GLY A 942 -8.058 62.884 0.311 1.00 -0.03 C \nATOM 1386 C GLY A 942 -8.093 61.468 -0.201 1.00 0.60 C \nATOM 1387 O GLY A 942 -7.201 60.662 0.080 1.00 -0.57 O \nATOM 1388 HA3 GLY A 942 -8.766 62.961 1.149 1.00 0.07 H \nATOM 1389 HA2 GLY A 942 -8.380 63.549 -0.504 1.00 0.07 H \nATOM 1390 H GLY A 942 -6.042 62.671 0.976 1.00 0.27 H \nATOM 1391 N ILE A 943 -9.150 61.163 -0.945 1.00 -0.42 N \nATOM 1392 CA ILE A 943 -9.311 59.841 -1.540 1.00 -0.06 C \nATOM 1393 C ILE A 943 -9.711 59.967 -2.997 1.00 0.60 C \nATOM 1394 O ILE A 943 -10.202 61.007 -3.426 1.00 -0.57 O \nATOM 1395 CB ILE A 943 -10.370 59.012 -0.789 1.00 0.13 C \nATOM 1396 CG1 ILE A 943 -11.722 59.745 -0.782 1.00 -0.04 C \nATOM 1397 CG2 ILE A 943 -9.913 58.772 0.644 1.00 -0.32 C \nATOM 1398 CD1 ILE A 943 -12.861 58.898 -0.258 1.00 -0.07 C \nATOM 1399 HA ILE A 943 -8.347 59.314 -1.481 1.00 0.09 H \nATOM 1400 HB ILE A 943 -10.491 58.043 -1.296 1.00 0.02 H \nATOM 1401 HG12 ILE A 943 -11.631 60.639 -0.147 1.00 0.02 H \nATOM 1402 HG13 ILE A 943 -11.959 60.050 -1.812 1.00 0.02 H \nATOM 1403 HD11 ILE A 943 -12.640 58.584 0.773 1.00 0.02 H \nATOM 1404 HD12 ILE A 943 -13.791 59.485 -0.271 1.00 0.02 H \nATOM 1405 HD13 ILE A 943 -12.980 58.009 -0.895 1.00 0.02 H \nATOM 1406 HG21 ILE A 943 -9.768 59.738 1.150 1.00 0.09 H \nATOM 1407 HG22 ILE A 943 -10.676 58.189 1.180 1.00 0.09 H \nATOM 1408 HG23 ILE A 943 -8.964 58.216 0.638 1.00 0.09 H \nATOM 1409 H ILE A 943 -9.853 61.857 -1.101 1.00 0.27 H \nATOM 1410 N CYS A 944 -9.505 58.887 -3.738 1.00 -0.42 N \nATOM 1411 CA CYS A 944 -10.025 58.743 -5.089 1.00 0.02 C \nATOM 1412 C CYS A 944 -10.832 57.449 -5.118 1.00 0.60 C \nATOM 1413 O CYS A 944 -10.297 56.395 -4.813 1.00 -0.57 O \nATOM 1414 CB CYS A 944 -8.874 58.681 -6.086 1.00 -0.12 C \nATOM 1415 SG CYS A 944 -9.371 58.466 -7.814 1.00 -0.31 S \nATOM 1416 HA CYS A 944 -10.675 59.595 -5.336 1.00 0.11 H \nATOM 1417 HB2 CYS A 944 -8.304 59.619 -6.009 1.00 0.11 H \nATOM 1418 HB3 CYS A 944 -8.227 57.835 -5.809 1.00 0.11 H \nATOM 1419 HG CYS A 944 -8.550 58.436 -8.398 1.00 0.19 H \nATOM 1420 H CYS A 944 -8.968 58.138 -3.351 1.00 0.27 H \nATOM 1421 N THR A 945 -12.116 57.533 -5.466 1.00 -0.42 N \nATOM 1422 CA THR A 945 -13.017 56.377 -5.407 1.00 -0.04 C \nATOM 1423 C THR A 945 -13.662 56.117 -6.761 1.00 0.60 C \nATOM 1424 O THR A 945 -13.983 57.059 -7.484 1.00 -0.57 O \nATOM 1425 CB THR A 945 -14.137 56.589 -4.368 1.00 0.37 C \nATOM 1426 OG1 THR A 945 -14.799 57.837 -4.615 1.00 -0.68 O \nATOM 1427 CG2 THR A 945 -13.574 56.590 -2.962 1.00 -0.24 C \nATOM 1428 HA THR A 945 -12.428 55.494 -5.118 1.00 0.10 H \nATOM 1429 HB THR A 945 -14.866 55.770 -4.460 1.00 0.00 H \nATOM 1430 HG1 THR A 945 -15.488 57.963 -3.973 1.00 0.41 H \nATOM 1431 HG23 THR A 945 -13.719 55.598 -2.508 1.00 0.06 H \nATOM 1432 HG21 THR A 945 -12.500 56.824 -2.997 1.00 0.06 H \nATOM 1433 HG22 THR A 945 -14.095 57.349 -2.359 1.00 0.06 H \nATOM 1434 H THR A 945 -12.477 58.412 -5.777 1.00 0.27 H \nTER 1435 THR A 945 \nATOM 1436 N GLY A 951 -13.612 50.174 -4.924 1.00 -0.82 N \nATOM 1437 CA GLY A 951 -12.190 50.505 -5.056 1.00 0.04 C \nATOM 1438 C GLY A 951 -11.892 51.883 -4.490 1.00 0.62 C \nATOM 1439 O GLY A 951 -12.754 52.760 -4.507 1.00 -0.50 O \nATOM 1440 HA3 GLY A 951 -11.595 49.757 -4.511 1.00 0.03 H \nATOM 1441 HA2 GLY A 951 -11.915 50.487 -6.121 1.00 0.03 H \nATOM 1442 H GLY A 951 -14.241 50.828 -4.503 1.00 0.30 H \nATOM 1443 HNCA GLY A 951 -13.960 49.277 -5.262 1.00 0.30 H \nATOM 1444 N ILE A 952 -10.674 52.087 -3.990 1.00 -0.42 N \nATOM 1445 CA ILE A 952 -10.336 53.349 -3.341 1.00 -0.06 C \nATOM 1446 C ILE A 952 -8.826 53.568 -3.308 1.00 0.60 C \nATOM 1447 O ILE A 952 -8.061 52.614 -3.210 1.00 -0.57 O \nATOM 1448 CB ILE A 952 -10.923 53.420 -1.906 1.00 0.13 C \nATOM 1449 CG1 ILE A 952 -10.879 54.851 -1.362 1.00 -0.04 C \nATOM 1450 CG2 ILE A 952 -10.197 52.476 -0.968 1.00 -0.32 C \nATOM 1451 CD1 ILE A 952 -11.727 55.057 -0.124 1.00 -0.07 C \nATOM 1452 HA ILE A 952 -10.784 54.161 -3.932 1.00 0.09 H \nATOM 1453 HB ILE A 952 -11.976 53.107 -1.956 1.00 0.02 H \nATOM 1454 HG12 ILE A 952 -9.836 55.096 -1.113 1.00 0.02 H \nATOM 1455 HG13 ILE A 952 -11.239 55.532 -2.147 1.00 0.02 H \nATOM 1456 HD11 ILE A 952 -11.381 54.384 0.674 1.00 0.02 H \nATOM 1457 HD12 ILE A 952 -11.637 56.100 0.212 1.00 0.02 H \nATOM 1458 HD13 ILE A 952 -12.779 54.837 -0.359 1.00 0.02 H \nATOM 1459 HG21 ILE A 952 -9.130 52.742 -0.933 1.00 0.09 H \nATOM 1460 HG22 ILE A 952 -10.629 52.557 0.040 1.00 0.09 H \nATOM 1461 HG23 ILE A 952 -10.305 51.443 -1.331 1.00 0.09 H \nATOM 1462 H ILE A 952 -9.984 51.367 -4.060 1.00 0.27 H \nATOM 1463 N LYS A 953 -8.408 54.826 -3.427 1.00 -0.35 N \nATOM 1464 CA LYS A 953 -6.992 55.192 -3.291 1.00 -0.24 C \nATOM 1465 C LYS A 953 -6.847 56.300 -2.271 1.00 0.73 C \nATOM 1466 O LYS A 953 -7.686 57.197 -2.206 1.00 -0.59 O \nATOM 1467 CB LYS A 953 -6.405 55.673 -4.613 1.00 -0.01 C \nATOM 1468 CG LYS A 953 -6.479 54.681 -5.761 1.00 0.02 C \nATOM 1469 CD LYS A 953 -5.823 55.264 -7.003 1.00 -0.05 C \nATOM 1470 CE LYS A 953 -6.304 54.601 -8.285 1.00 -0.01 C \nATOM 1471 NZ LYS A 953 -5.639 53.297 -8.509 1.00 -0.39 N \nATOM 1472 HA LYS A 953 -6.431 54.309 -2.952 1.00 0.14 H \nATOM 1473 HB2 LYS A 953 -6.948 56.581 -4.914 1.00 0.04 H \nATOM 1474 HB3 LYS A 953 -5.346 55.918 -4.444 1.00 0.04 H \nATOM 1475 HG2 LYS A 953 -5.958 53.755 -5.475 1.00 0.01 H \nATOM 1476 HG3 LYS A 953 -7.533 54.456 -5.979 1.00 0.01 H \nATOM 1477 HD2 LYS A 953 -6.056 56.338 -7.053 1.00 0.06 H \nATOM 1478 HD3 LYS A 953 -4.734 55.128 -6.923 1.00 0.06 H \nATOM 1479 HE2 LYS A 953 -7.390 54.441 -8.218 1.00 0.11 H \nATOM 1480 HE3 LYS A 953 -6.083 55.264 -9.134 1.00 0.11 H \nATOM 1481 HZ1 LYS A 953 -5.833 52.683 -7.733 1.00 0.34 H \nATOM 1482 HZ2 LYS A 953 -5.988 52.884 -9.359 1.00 0.34 H \nATOM 1483 HZ3 LYS A 953 -4.644 53.436 -8.587 1.00 0.34 H \nATOM 1484 H LYS A 953 -9.078 55.544 -3.615 1.00 0.27 H \nATOM 1485 N LEU A 954 -5.772 56.228 -1.485 1.00 -0.42 N \nATOM 1486 CA LEU A 954 -5.481 57.213 -0.453 1.00 -0.05 C \nATOM 1487 C LEU A 954 -4.524 58.253 -1.017 1.00 0.60 C \nATOM 1488 O LEU A 954 -3.467 57.896 -1.520 1.00 -0.57 O \nATOM 1489 CB LEU A 954 -4.854 56.517 0.757 1.00 -0.11 C \nATOM 1490 CG LEU A 954 -4.087 57.402 1.728 1.00 0.35 C \nATOM 1491 CD1 LEU A 954 -5.034 58.420 2.358 1.00 -0.41 C \nATOM 1492 CD2 LEU A 954 -3.409 56.534 2.777 1.00 -0.41 C \nATOM 1493 HA LEU A 954 -6.414 57.707 -0.144 1.00 0.09 H \nATOM 1494 HB2 LEU A 954 -5.664 56.029 1.319 1.00 0.05 H \nATOM 1495 HB3 LEU A 954 -4.158 55.754 0.380 1.00 0.05 H \nATOM 1496 HG LEU A 954 -3.310 57.948 1.173 1.00 -0.04 H \nATOM 1497 HD21 LEU A 954 -2.720 55.833 2.283 1.00 0.10 H \nATOM 1498 HD22 LEU A 954 -2.846 57.173 3.473 1.00 0.10 H \nATOM 1499 HD23 LEU A 954 -4.171 55.968 3.333 1.00 0.10 H \nATOM 1500 HD11 LEU A 954 -5.838 57.892 2.891 1.00 0.10 H \nATOM 1501 HD12 LEU A 954 -4.476 59.050 3.066 1.00 0.10 H \nATOM 1502 HD13 LEU A 954 -5.470 59.052 1.570 1.00 0.10 H \nATOM 1503 H LEU A 954 -5.138 55.464 -1.610 1.00 0.27 H \nATOM 1504 N ILE A 955 -4.887 59.533 -0.918 1.00 -0.42 N \nATOM 1505 CA ILE A 955 -4.056 60.617 -1.428 1.00 -0.06 C \nATOM 1506 C ILE A 955 -3.402 61.332 -0.240 1.00 0.60 C \nATOM 1507 O ILE A 955 -4.105 61.797 0.681 1.00 -0.57 O \nATOM 1508 CB ILE A 955 -4.892 61.627 -2.238 1.00 0.13 C \nATOM 1509 CG1 ILE A 955 -5.833 60.910 -3.225 1.00 -0.04 C \nATOM 1510 CG2 ILE A 955 -3.998 62.606 -2.989 1.00 -0.32 C \nATOM 1511 CD1 ILE A 955 -5.128 59.978 -4.187 1.00 -0.07 C \nATOM 1512 HA ILE A 955 -3.275 60.197 -2.078 1.00 0.09 H \nATOM 1513 HB ILE A 955 -5.509 62.200 -1.530 1.00 0.02 H \nATOM 1514 HG12 ILE A 955 -6.559 60.322 -2.644 1.00 0.02 H \nATOM 1515 HG13 ILE A 955 -6.365 61.674 -3.812 1.00 0.02 H \nATOM 1516 HD11 ILE A 955 -4.591 59.204 -3.620 1.00 0.02 H \nATOM 1517 HD12 ILE A 955 -5.869 59.502 -4.846 1.00 0.02 H \nATOM 1518 HD13 ILE A 955 -4.412 60.551 -4.794 1.00 0.02 H \nATOM 1519 HG21 ILE A 955 -3.342 62.051 -3.675 1.00 0.09 H \nATOM 1520 HG22 ILE A 955 -4.622 63.306 -3.564 1.00 0.09 H \nATOM 1521 HG23 ILE A 955 -3.385 63.168 -2.270 1.00 0.09 H \nATOM 1522 H ILE A 955 -5.758 59.756 -0.480 1.00 0.27 H \nATOM 1523 N MET A 956 -2.073 61.402 -0.265 1.00 -0.42 N \nATOM 1524 CA MET A 956 -1.274 62.064 0.771 1.00 -0.02 C \nATOM 1525 C MET A 956 -0.347 63.112 0.164 1.00 0.60 C \nATOM 1526 O MET A 956 -0.103 63.112 -1.042 1.00 -0.57 O \nATOM 1527 CB MET A 956 -0.400 61.054 1.485 1.00 0.03 C \nATOM 1528 CG MET A 956 -1.149 59.928 2.170 1.00 0.00 C \nATOM 1529 SD MET A 956 -0.026 58.610 2.660 1.00 -0.27 S \nATOM 1530 CE MET A 956 0.200 57.834 1.066 1.00 -0.05 C \nATOM 1531 HA MET A 956 -1.951 62.545 1.492 1.00 0.09 H \nATOM 1532 HB2 MET A 956 0.282 60.610 0.745 1.00 0.02 H \nATOM 1533 HB3 MET A 956 0.185 61.588 2.248 1.00 0.02 H \nATOM 1534 HG2 MET A 956 -1.652 60.323 3.065 1.00 0.04 H \nATOM 1535 HG3 MET A 956 -1.900 59.521 1.477 1.00 0.04 H \nATOM 1536 HE1 MET A 956 0.621 58.564 0.359 1.00 0.07 H \nATOM 1537 HE2 MET A 956 0.889 56.983 1.167 1.00 0.07 H \nATOM 1538 HE3 MET A 956 -0.771 57.478 0.691 1.00 0.07 H \nATOM 1539 H MET A 956 -1.593 60.979 -1.033 1.00 0.27 H \nATOM 1540 N GLU A 957 0.197 63.986 1.011 1.00 -0.52 N \nATOM 1541 CA GLU A 957 1.242 64.880 0.563 1.00 0.04 C \nATOM 1542 C GLU A 957 2.451 64.078 0.095 1.00 0.54 C \nATOM 1543 O GLU A 957 2.731 62.989 0.600 1.00 -0.58 O \nATOM 1544 CB GLU A 957 1.647 65.888 1.643 1.00 0.06 C \nATOM 1545 CG GLU A 957 2.211 65.258 2.902 1.00 0.01 C \nATOM 1546 CD GLU A 957 2.706 66.281 3.918 1.00 0.81 C \nATOM 1547 OE1 GLU A 957 2.871 67.463 3.553 1.00 -0.82 O \nATOM 1548 OE2 GLU A 957 2.914 65.901 5.084 1.00 -0.82 O \nATOM 1549 HA GLU A 957 0.854 65.448 -0.296 1.00 0.11 H \nATOM 1550 HB2 GLU A 957 2.411 66.558 1.221 1.00 -0.02 H \nATOM 1551 HB3 GLU A 957 0.758 66.474 1.919 1.00 -0.02 H \nATOM 1552 HG2 GLU A 957 1.423 64.652 3.372 1.00 -0.04 H \nATOM 1553 HG3 GLU A 957 3.054 64.609 2.621 1.00 -0.04 H \nATOM 1554 H GLU A 957 -0.118 64.024 1.959 1.00 0.29 H \nATOM 1555 N PHE A 958 3.161 64.646 -0.870 1.00 -0.42 N \nATOM 1556 CA PHE A 958 4.362 64.051 -1.413 1.00 -0.00 C \nATOM 1557 C PHE A 958 5.563 64.789 -0.848 1.00 0.60 C \nATOM 1558 O PHE A 958 5.622 66.013 -0.936 1.00 -0.57 O \nATOM 1559 CB PHE A 958 4.366 64.175 -2.937 1.00 -0.03 C \nATOM 1560 CG PHE A 958 5.686 63.837 -3.568 1.00 0.01 C \nATOM 1561 CD1 PHE A 958 6.253 62.578 -3.401 1.00 -0.13 C \nATOM 1562 CD2 PHE A 958 6.346 64.767 -4.367 1.00 -0.13 C \nATOM 1563 CE1 PHE A 958 7.464 62.259 -3.991 1.00 -0.17 C \nATOM 1564 CE2 PHE A 958 7.564 64.454 -4.955 1.00 -0.17 C \nATOM 1565 CZ PHE A 958 8.126 63.205 -4.761 1.00 -0.11 C \nATOM 1566 HA PHE A 958 4.410 62.989 -1.130 1.00 0.10 H \nATOM 1567 HB2 PHE A 958 3.603 63.494 -3.343 1.00 0.03 H \nATOM 1568 HB3 PHE A 958 4.110 65.212 -3.202 1.00 0.03 H \nATOM 1569 HD2 PHE A 958 5.905 65.744 -4.531 1.00 0.13 H \nATOM 1570 HE2 PHE A 958 8.075 65.189 -5.567 1.00 0.14 H \nATOM 1571 HZ PHE A 958 9.083 62.965 -5.210 1.00 0.13 H \nATOM 1572 HE1 PHE A 958 7.894 61.274 -3.852 1.00 0.14 H \nATOM 1573 HD1 PHE A 958 5.739 61.836 -2.800 1.00 0.13 H \nATOM 1574 H PHE A 958 2.853 65.523 -1.238 1.00 0.27 H \nATOM 1575 N LEU A 959 6.500 64.043 -0.272 1.00 -0.42 N \nATOM 1576 CA LEU A 959 7.748 64.598 0.252 1.00 -0.05 C \nATOM 1577 C LEU A 959 8.915 64.185 -0.655 1.00 0.60 C \nATOM 1578 O LEU A 959 9.388 63.044 -0.592 1.00 -0.57 O \nATOM 1579 CB LEU A 959 7.987 64.144 1.698 1.00 -0.11 C \nATOM 1580 CG LEU A 959 7.311 65.000 2.774 1.00 0.35 C \nATOM 1581 CD1 LEU A 959 5.816 65.144 2.539 1.00 -0.41 C \nATOM 1582 CD2 LEU A 959 7.564 64.415 4.164 1.00 -0.41 C \nATOM 1583 HA LEU A 959 7.672 65.695 0.245 1.00 0.09 H \nATOM 1584 HB2 LEU A 959 7.612 63.115 1.797 1.00 0.05 H \nATOM 1585 HB3 LEU A 959 9.071 64.159 1.884 1.00 0.05 H \nATOM 1586 HG LEU A 959 7.759 66.004 2.736 1.00 -0.04 H \nATOM 1587 HD21 LEU A 959 8.647 64.377 4.355 1.00 0.10 H \nATOM 1588 HD22 LEU A 959 7.080 65.048 4.922 1.00 0.10 H \nATOM 1589 HD23 LEU A 959 7.147 63.398 4.215 1.00 0.10 H \nATOM 1590 HD11 LEU A 959 5.347 64.149 2.538 1.00 0.10 H \nATOM 1591 HD12 LEU A 959 5.376 65.756 3.340 1.00 0.10 H \nATOM 1592 HD13 LEU A 959 5.643 65.631 1.568 1.00 0.10 H \nATOM 1593 H LEU A 959 6.345 63.058 -0.193 1.00 0.27 H \nATOM 1594 N PRO A 960 9.376 65.110 -1.512 1.00 -0.25 N \nATOM 1595 CA PRO A 960 10.394 64.838 -2.521 1.00 -0.03 C \nATOM 1596 C PRO A 960 11.672 64.208 -1.983 1.00 0.59 C \nATOM 1597 O PRO A 960 12.275 63.401 -2.677 1.00 -0.57 O \nATOM 1598 CB PRO A 960 10.682 66.216 -3.134 1.00 -0.01 C \nATOM 1599 CG PRO A 960 9.477 67.030 -2.851 1.00 0.02 C \nATOM 1600 CD PRO A 960 8.913 66.511 -1.564 1.00 0.02 C \nATOM 1601 HA PRO A 960 9.978 64.164 -3.284 1.00 0.06 H \nATOM 1602 HD3 PRO A 960 7.814 66.560 -1.570 1.00 0.04 H \nATOM 1603 HD2 PRO A 960 9.300 67.083 -0.708 1.00 0.04 H \nATOM 1604 HG3 PRO A 960 8.742 66.918 -3.662 1.00 0.02 H \nATOM 1605 HG2 PRO A 960 9.749 68.091 -2.747 1.00 0.02 H \nATOM 1606 HB2 PRO A 960 11.570 66.667 -2.667 1.00 0.03 H \nATOM 1607 HB3 PRO A 960 10.842 66.129 -4.219 1.00 0.03 H \nATOM 1608 N SER A 961 12.073 64.537 -0.757 1.00 -0.42 N \nATOM 1609 CA SER A 961 13.288 63.929 -0.189 1.00 -0.02 C \nATOM 1610 C SER A 961 13.154 62.443 0.109 1.00 0.60 C \nATOM 1611 O SER A 961 14.158 61.752 0.315 1.00 -0.57 O \nATOM 1612 CB SER A 961 13.741 64.676 1.065 1.00 0.21 C \nATOM 1613 OG SER A 961 14.184 65.959 0.715 1.00 -0.65 O \nATOM 1614 HA SER A 961 14.081 64.036 -0.944 1.00 0.08 H \nATOM 1615 HB2 SER A 961 12.898 64.759 1.766 1.00 0.04 H \nATOM 1616 HB3 SER A 961 14.563 64.123 1.543 1.00 0.04 H \nATOM 1617 HG SER A 961 14.465 66.421 1.496 1.00 0.43 H \nATOM 1618 H SER A 961 11.548 65.198 -0.221 1.00 0.27 H \nATOM 1619 N GLY A 962 11.922 61.937 0.115 1.00 -0.42 N \nATOM 1620 CA GLY A 962 11.690 60.535 0.370 1.00 -0.03 C \nATOM 1621 C GLY A 962 11.897 60.195 1.835 1.00 0.60 C \nATOM 1622 O GLY A 962 11.826 61.071 2.696 1.00 -0.57 O \nATOM 1623 HA3 GLY A 962 10.656 60.286 0.088 1.00 0.07 H \nATOM 1624 HA2 GLY A 962 12.389 59.941 -0.237 1.00 0.07 H \nATOM 1625 H GLY A 962 11.143 62.539 -0.060 1.00 0.27 H \nATOM 1626 N SER A 963 12.158 58.924 2.107 1.00 -0.42 N \nATOM 1627 CA SER A 963 12.394 58.454 3.473 1.00 -0.02 C \nATOM 1628 C SER A 963 13.844 58.641 3.912 1.00 0.60 C \nATOM 1629 O SER A 963 14.716 58.984 3.115 1.00 -0.57 O \nATOM 1630 CB SER A 963 12.009 56.990 3.617 1.00 0.21 C \nATOM 1631 OG SER A 963 13.028 56.110 3.168 1.00 -0.65 O \nATOM 1632 HA SER A 963 11.756 59.047 4.145 1.00 0.08 H \nATOM 1633 HB2 SER A 963 11.806 56.782 4.678 1.00 0.04 H \nATOM 1634 HB3 SER A 963 11.099 56.805 3.027 1.00 0.04 H \nATOM 1635 HG SER A 963 12.741 55.211 3.278 1.00 0.43 H \nATOM 1636 H SER A 963 12.195 58.266 1.355 1.00 0.27 H \nATOM 1637 N LEU A 964 14.084 58.396 5.191 1.00 -0.42 N \nATOM 1638 CA LEU A 964 15.432 58.420 5.734 1.00 -0.05 C \nATOM 1639 C LEU A 964 16.368 57.464 4.981 1.00 0.60 C \nATOM 1640 O LEU A 964 17.539 57.761 4.815 1.00 -0.57 O \nATOM 1641 CB LEU A 964 15.421 58.085 7.222 1.00 -0.11 C \nATOM 1642 CG LEU A 964 14.870 59.159 8.143 1.00 0.35 C \nATOM 1643 CD1 LEU A 964 14.855 58.630 9.576 1.00 -0.41 C \nATOM 1644 CD2 LEU A 964 15.687 60.444 8.048 1.00 -0.41 C \nATOM 1645 HA LEU A 964 15.824 59.441 5.616 1.00 0.09 H \nATOM 1646 HB2 LEU A 964 14.811 57.180 7.358 1.00 0.05 H \nATOM 1647 HB3 LEU A 964 16.457 57.879 7.528 1.00 0.05 H \nATOM 1648 HG LEU A 964 13.837 59.385 7.840 1.00 -0.04 H \nATOM 1649 HD21 LEU A 964 15.667 60.815 7.013 1.00 0.10 H \nATOM 1650 HD22 LEU A 964 15.256 61.203 8.718 1.00 0.10 H \nATOM 1651 HD23 LEU A 964 16.726 60.240 8.345 1.00 0.10 H \nATOM 1652 HD11 LEU A 964 15.878 58.361 9.878 1.00 0.10 H \nATOM 1653 HD12 LEU A 964 14.466 59.408 10.250 1.00 0.10 H \nATOM 1654 HD13 LEU A 964 14.210 57.741 9.632 1.00 0.10 H \nATOM 1655 H LEU A 964 13.318 58.189 5.799 1.00 0.27 H \nATOM 1656 N LYS A 965 15.847 56.345 4.499 1.00 -0.35 N \nATOM 1657 CA LYS A 965 16.654 55.399 3.717 1.00 -0.24 C \nATOM 1658 C LYS A 965 17.211 56.028 2.436 1.00 0.73 C \nATOM 1659 O LYS A 965 18.327 55.721 2.050 1.00 -0.59 O \nATOM 1660 CB LYS A 965 15.845 54.135 3.379 1.00 -0.01 C \nATOM 1661 CG LYS A 965 16.645 52.982 2.779 1.00 0.02 C \nATOM 1662 CD LYS A 965 17.569 52.302 3.786 1.00 -0.05 C \nATOM 1663 CE LYS A 965 18.491 51.284 3.114 1.00 -0.01 C \nATOM 1664 NZ LYS A 965 19.313 50.477 4.066 1.00 -0.39 N \nATOM 1665 HA LYS A 965 17.509 55.098 4.340 1.00 0.14 H \nATOM 1666 HB2 LYS A 965 15.376 53.775 4.307 1.00 0.04 H \nATOM 1667 HB3 LYS A 965 15.063 54.416 2.658 1.00 0.04 H \nATOM 1668 HG2 LYS A 965 15.940 52.233 2.390 1.00 0.01 H \nATOM 1669 HG3 LYS A 965 17.256 53.374 1.953 1.00 0.01 H \nATOM 1670 HD2 LYS A 965 18.185 53.069 4.279 1.00 0.06 H \nATOM 1671 HD3 LYS A 965 16.956 51.785 4.539 1.00 0.06 H \nATOM 1672 HE2 LYS A 965 17.870 50.594 2.524 1.00 0.11 H \nATOM 1673 HE3 LYS A 965 19.174 51.827 2.444 1.00 0.11 H \nATOM 1674 HZ1 LYS A 965 18.704 49.969 4.689 1.00 0.34 H \nATOM 1675 HZ2 LYS A 965 19.884 49.826 3.549 1.00 0.34 H \nATOM 1676 HZ3 LYS A 965 19.906 51.091 4.602 1.00 0.34 H \nATOM 1677 H LYS A 965 14.884 56.140 4.671 1.00 0.27 H \nATOM 1678 N GLU A 966 16.443 56.910 1.800 1.00 -0.52 N \nATOM 1679 CA GLU A 966 16.891 57.621 0.596 1.00 0.04 C \nATOM 1680 C GLU A 966 17.746 58.843 0.958 1.00 0.54 C \nATOM 1681 O GLU A 966 18.785 59.097 0.357 1.00 -0.58 O \nATOM 1682 CB GLU A 966 15.690 58.113 -0.223 1.00 0.06 C \nATOM 1683 CG GLU A 966 14.949 57.034 -1.000 1.00 0.01 C \nATOM 1684 CD GLU A 966 14.156 56.093 -0.118 1.00 0.81 C \nATOM 1685 OE1 GLU A 966 13.286 56.561 0.657 1.00 -0.82 O \nATOM 1686 OE2 GLU A 966 14.399 54.877 -0.204 1.00 -0.82 O \nATOM 1687 HA GLU A 966 17.489 56.931 -0.017 1.00 0.11 H \nATOM 1688 HB2 GLU A 966 14.977 58.585 0.469 1.00 -0.02 H \nATOM 1689 HB3 GLU A 966 16.053 58.862 -0.942 1.00 -0.02 H \nATOM 1690 HG2 GLU A 966 14.255 57.523 -1.700 1.00 -0.04 H \nATOM 1691 HG3 GLU A 966 15.685 56.444 -1.565 1.00 -0.04 H \nATOM 1692 H GLU A 966 15.527 57.095 2.156 1.00 0.29 H \nATOM 1693 N TYR A 967 17.291 59.595 1.951 1.00 -0.42 N \nATOM 1694 CA TYR A 967 17.852 60.897 2.253 1.00 -0.00 C \nATOM 1695 C TYR A 967 19.176 60.825 3.004 1.00 0.60 C \nATOM 1696 O TYR A 967 20.099 61.571 2.693 1.00 -0.57 O \nATOM 1697 CB TYR A 967 16.853 61.688 3.077 1.00 -0.02 C \nATOM 1698 CG TYR A 967 17.273 63.084 3.421 1.00 -0.00 C \nATOM 1699 CD1 TYR A 967 17.187 64.103 2.482 1.00 -0.19 C \nATOM 1700 CD2 TYR A 967 17.729 63.398 4.693 1.00 -0.19 C \nATOM 1701 CE1 TYR A 967 17.546 65.397 2.797 1.00 -0.23 C \nATOM 1702 CE2 TYR A 967 18.090 64.693 5.019 1.00 -0.23 C \nATOM 1703 CZ TYR A 967 17.998 65.685 4.065 1.00 0.32 C \nATOM 1704 OH TYR A 967 18.357 66.969 4.373 1.00 -0.56 O \nATOM 1705 HA TYR A 967 18.027 61.423 1.303 1.00 0.09 H \nATOM 1706 HB3 TYR A 967 15.913 61.746 2.509 1.00 0.03 H \nATOM 1707 HB2 TYR A 967 16.680 61.143 4.017 1.00 0.03 H \nATOM 1708 HD2 TYR A 967 17.803 62.618 5.442 1.00 0.17 H \nATOM 1709 HE2 TYR A 967 18.443 64.927 6.017 1.00 0.17 H \nATOM 1710 HE1 TYR A 967 17.473 66.181 2.052 1.00 0.17 H \nATOM 1711 HD1 TYR A 967 16.831 63.878 1.483 1.00 0.17 H \nATOM 1712 HH TYR A 967 18.234 67.523 3.612 1.00 0.40 H \nATOM 1713 H TYR A 967 16.536 59.253 2.510 1.00 0.27 H \nATOM 1714 N LEU A 968 19.261 59.949 4.000 1.00 -0.42 N \nATOM 1715 CA LEU A 968 20.442 59.902 4.865 1.00 -0.05 C \nATOM 1716 C LEU A 968 21.749 59.519 4.125 1.00 0.60 C \nATOM 1717 O LEU A 968 22.766 60.184 4.304 1.00 -0.57 O \nATOM 1718 CB LEU A 968 20.199 59.002 6.070 1.00 -0.11 C \nATOM 1719 CG LEU A 968 19.202 59.522 7.115 1.00 0.35 C \nATOM 1720 CD1 LEU A 968 19.132 58.599 8.324 1.00 -0.41 C \nATOM 1721 CD2 LEU A 968 19.557 60.942 7.556 1.00 -0.41 C \nATOM 1722 HA LEU A 968 20.589 60.922 5.249 1.00 0.09 H \nATOM 1723 HB2 LEU A 968 19.823 58.038 5.698 1.00 0.05 H \nATOM 1724 HB3 LEU A 968 21.164 58.849 6.575 1.00 0.05 H \nATOM 1725 HG LEU A 968 18.206 59.548 6.648 1.00 -0.04 H \nATOM 1726 HD21 LEU A 968 19.545 61.611 6.683 1.00 0.10 H \nATOM 1727 HD22 LEU A 968 18.821 61.291 8.295 1.00 0.10 H \nATOM 1728 HD23 LEU A 968 20.560 60.946 8.007 1.00 0.10 H \nATOM 1729 HD11 LEU A 968 20.127 58.524 8.786 1.00 0.10 H \nATOM 1730 HD12 LEU A 968 18.418 59.006 9.055 1.00 0.10 H \nATOM 1731 HD13 LEU A 968 18.800 57.600 8.004 1.00 0.10 H \nATOM 1732 H LEU A 968 18.507 59.312 4.161 1.00 0.27 H \nATOM 1733 N PRO A 969 21.720 58.484 3.270 1.00 -0.25 N \nATOM 1734 CA PRO A 969 22.967 58.140 2.595 1.00 -0.03 C \nATOM 1735 C PRO A 969 23.515 59.269 1.726 1.00 0.59 C \nATOM 1736 O PRO A 969 24.718 59.365 1.545 1.00 -0.57 O \nATOM 1737 CB PRO A 969 22.585 56.921 1.754 1.00 -0.01 C \nATOM 1738 CG PRO A 969 21.452 56.298 2.503 1.00 0.02 C \nATOM 1739 CD PRO A 969 20.671 57.474 3.022 1.00 0.02 C \nATOM 1740 HA PRO A 969 23.733 57.869 3.336 1.00 0.06 H \nATOM 1741 HD3 PRO A 969 20.141 57.218 3.951 1.00 0.04 H \nATOM 1742 HD2 PRO A 969 19.948 57.830 2.273 1.00 0.04 H \nATOM 1743 HG3 PRO A 969 21.825 55.679 3.332 1.00 0.02 H \nATOM 1744 HG2 PRO A 969 20.833 55.681 1.835 1.00 0.02 H \nATOM 1745 HB2 PRO A 969 22.265 57.227 0.747 1.00 0.03 H \nATOM 1746 HB3 PRO A 969 23.431 56.222 1.674 1.00 0.03 H \nATOM 1747 N LYS A 970 22.629 60.128 1.237 1.00 -0.35 N \nATOM 1748 CA LYS A 970 22.982 61.216 0.338 1.00 -0.24 C \nATOM 1749 C LYS A 970 23.338 62.522 1.037 1.00 0.73 C \nATOM 1750 O LYS A 970 23.820 63.446 0.393 1.00 -0.59 O \nATOM 1751 CB LYS A 970 21.808 61.505 -0.598 1.00 -0.01 C \nATOM 1752 CG LYS A 970 21.488 60.419 -1.610 1.00 0.02 C \nATOM 1753 CD LYS A 970 20.339 60.886 -2.494 1.00 -0.05 C \nATOM 1754 CE LYS A 970 19.885 59.808 -3.461 1.00 -0.01 C \nATOM 1755 NZ LYS A 970 18.930 60.344 -4.467 1.00 -0.39 N \nATOM 1756 HA LYS A 970 23.850 60.895 -0.256 1.00 0.14 H \nATOM 1757 HB2 LYS A 970 20.913 61.663 0.022 1.00 0.04 H \nATOM 1758 HB3 LYS A 970 22.037 62.427 -1.153 1.00 0.04 H \nATOM 1759 HG2 LYS A 970 22.374 60.221 -2.231 1.00 0.01 H \nATOM 1760 HG3 LYS A 970 21.197 59.498 -1.083 1.00 0.01 H \nATOM 1761 HD2 LYS A 970 19.490 61.167 -1.853 1.00 0.06 H \nATOM 1762 HD3 LYS A 970 20.669 61.763 -3.070 1.00 0.06 H \nATOM 1763 HE2 LYS A 970 20.764 59.403 -3.983 1.00 0.11 H \nATOM 1764 HE3 LYS A 970 19.393 59.004 -2.894 1.00 0.11 H \nATOM 1765 HZ1 LYS A 970 19.372 61.085 -4.988 1.00 0.34 H \nATOM 1766 HZ2 LYS A 970 18.657 59.606 -5.097 1.00 0.34 H \nATOM 1767 HZ3 LYS A 970 18.114 60.704 -3.997 1.00 0.34 H \nATOM 1768 H LYS A 970 21.670 60.022 1.500 1.00 0.27 H \nATOM 1769 N ASN A 971 23.077 62.633 2.335 1.00 -0.42 N \nATOM 1770 CA ASN A 971 23.204 63.926 3.008 1.00 0.01 C \nATOM 1771 C ASN A 971 23.996 63.862 4.300 1.00 0.60 C \nATOM 1772 O ASN A 971 23.861 64.747 5.152 1.00 -0.57 O \nATOM 1773 CB ASN A 971 21.807 64.524 3.273 1.00 -0.20 C \nATOM 1774 CG ASN A 971 21.062 64.848 1.995 1.00 0.71 C \nATOM 1775 OD1 ASN A 971 20.287 64.036 1.490 1.00 -0.59 O \nATOM 1776 ND2 ASN A 971 21.307 66.025 1.455 1.00 -0.92 N \nATOM 1777 HA ASN A 971 23.741 64.601 2.326 1.00 0.10 H \nATOM 1778 HB2 ASN A 971 21.216 63.798 3.851 1.00 0.08 H \nATOM 1779 HB3 ASN A 971 21.924 65.449 3.857 1.00 0.08 H \nATOM 1780 HD22 ASN A 971 20.844 66.294 0.610 1.00 0.42 H \nATOM 1781 HD21 ASN A 971 21.956 66.649 1.890 1.00 0.42 H \nATOM 1782 H ASN A 971 22.792 61.828 2.855 1.00 0.27 H \nATOM 1783 N LYS A 972 24.840 62.838 4.416 1.00 -0.35 N \nATOM 1784 CA LYS A 972 25.711 62.648 5.567 1.00 -0.24 C \nATOM 1785 C LYS A 972 26.432 63.921 5.961 1.00 0.73 C \nATOM 1786 O LYS A 972 26.513 64.258 7.146 1.00 -0.59 O \nATOM 1787 CB LYS A 972 26.764 61.570 5.282 1.00 -0.01 C \nATOM 1788 CG LYS A 972 26.312 60.151 5.550 1.00 0.02 C \nATOM 1789 CD LYS A 972 27.340 59.153 5.053 1.00 -0.05 C \nATOM 1790 CE LYS A 972 27.045 57.765 5.575 1.00 -0.01 C \nATOM 1791 NZ LYS A 972 27.769 56.742 4.775 1.00 -0.39 N \nATOM 1792 HA LYS A 972 25.089 62.322 6.414 1.00 0.14 H \nATOM 1793 HB2 LYS A 972 27.050 61.643 4.222 1.00 0.04 H \nATOM 1794 HB3 LYS A 972 27.641 61.774 5.913 1.00 0.04 H \nATOM 1795 HG2 LYS A 972 26.173 60.016 6.633 1.00 0.01 H \nATOM 1796 HG3 LYS A 972 25.358 59.973 5.033 1.00 0.01 H \nATOM 1797 HD2 LYS A 972 27.322 59.135 3.953 1.00 0.06 H \nATOM 1798 HD3 LYS A 972 28.338 59.462 5.398 1.00 0.06 H \nATOM 1799 HE2 LYS A 972 27.366 57.697 6.625 1.00 0.11 H \nATOM 1800 HE3 LYS A 972 25.963 57.576 5.510 1.00 0.11 H \nATOM 1801 HZ1 LYS A 972 28.761 56.915 4.826 1.00 0.34 H \nATOM 1802 HZ2 LYS A 972 27.569 55.825 5.142 1.00 0.34 H \nATOM 1803 HZ3 LYS A 972 27.468 56.792 3.814 1.00 0.34 H \nATOM 1804 H LYS A 972 24.877 62.167 3.676 1.00 0.27 H \nATOM 1805 N ASN A 973 26.958 64.628 4.974 1.00 -0.42 N \nATOM 1806 CA ASN A 973 27.743 65.827 5.247 1.00 0.01 C \nATOM 1807 C ASN A 973 26.921 66.956 5.866 1.00 0.60 C \nATOM 1808 O ASN A 973 27.440 67.751 6.642 1.00 -0.57 O \nATOM 1809 CB ASN A 973 28.427 66.326 3.975 1.00 -0.20 C \nATOM 1810 CG ASN A 973 29.424 67.447 4.245 1.00 0.71 C \nATOM 1811 OD1 ASN A 973 29.413 68.474 3.566 1.00 -0.59 O \nATOM 1812 ND2 ASN A 973 30.276 67.260 5.247 1.00 -0.92 N \nATOM 1813 HA ASN A 973 28.525 65.551 5.969 1.00 0.10 H \nATOM 1814 HB2 ASN A 973 28.961 65.485 3.509 1.00 0.08 H \nATOM 1815 HB3 ASN A 973 27.657 66.699 3.284 1.00 0.08 H \nATOM 1816 HD22 ASN A 973 30.951 67.964 5.467 1.00 0.42 H \nATOM 1817 HD21 ASN A 973 30.242 66.415 5.781 1.00 0.42 H \nATOM 1818 H ASN A 973 26.816 64.337 4.028 1.00 0.27 H \nATOM 1819 N LYS A 974 25.639 66.999 5.522 1.00 -0.35 N \nATOM 1820 CA LYS A 974 24.716 68.032 5.996 1.00 -0.24 C \nATOM 1821 C LYS A 974 24.089 67.708 7.355 1.00 0.73 C \nATOM 1822 O LYS A 974 23.681 68.618 8.075 1.00 -0.59 O \nATOM 1823 CB LYS A 974 23.618 68.208 4.945 1.00 -0.01 C \nATOM 1824 CG LYS A 974 22.513 69.189 5.283 1.00 0.02 C \nATOM 1825 CD LYS A 974 21.420 69.133 4.230 1.00 -0.05 C \nATOM 1826 CE LYS A 974 21.961 69.422 2.841 1.00 -0.01 C \nATOM 1827 NZ LYS A 974 20.872 69.761 1.885 1.00 -0.39 N \nATOM 1828 HA LYS A 974 25.273 68.975 6.095 1.00 0.14 H \nATOM 1829 HB2 LYS A 974 24.096 68.550 4.015 1.00 0.04 H \nATOM 1830 HB3 LYS A 974 23.153 67.225 4.778 1.00 0.04 H \nATOM 1831 HG2 LYS A 974 22.086 68.931 6.264 1.00 0.01 H \nATOM 1832 HG3 LYS A 974 22.929 70.206 5.320 1.00 0.01 H \nATOM 1833 HD2 LYS A 974 20.971 68.129 4.236 1.00 0.06 H \nATOM 1834 HD3 LYS A 974 20.651 69.880 4.475 1.00 0.06 H \nATOM 1835 HE2 LYS A 974 22.660 70.269 2.900 1.00 0.11 H \nATOM 1836 HE3 LYS A 974 22.493 68.532 2.474 1.00 0.11 H \nATOM 1837 HZ1 LYS A 974 20.375 70.574 2.216 1.00 0.34 H \nATOM 1838 HZ2 LYS A 974 21.269 69.955 0.979 1.00 0.34 H \nATOM 1839 HZ3 LYS A 974 20.234 68.984 1.813 1.00 0.34 H \nATOM 1840 H LYS A 974 25.287 66.291 4.909 1.00 0.27 H \nATOM 1841 N ILE A 975 24.011 66.420 7.695 1.00 -0.42 N \nATOM 1842 CA ILE A 975 23.248 65.945 8.861 1.00 -0.06 C \nATOM 1843 C ILE A 975 24.193 65.415 9.945 1.00 0.60 C \nATOM 1844 O ILE A 975 24.689 64.292 9.855 1.00 -0.57 O \nATOM 1845 CB ILE A 975 22.249 64.835 8.456 1.00 0.13 C \nATOM 1846 CG1 ILE A 975 21.302 65.318 7.331 1.00 -0.04 C \nATOM 1847 CG2 ILE A 975 21.463 64.329 9.661 1.00 -0.32 C \nATOM 1848 CD1 ILE A 975 20.537 66.611 7.604 1.00 -0.07 C \nATOM 1849 HA ILE A 975 22.681 66.793 9.273 1.00 0.09 H \nATOM 1850 HB ILE A 975 22.832 63.990 8.061 1.00 0.02 H \nATOM 1851 HG12 ILE A 975 21.907 65.471 6.425 1.00 0.02 H \nATOM 1852 HG13 ILE A 975 20.564 64.523 7.149 1.00 0.02 H \nATOM 1853 HD11 ILE A 975 21.251 67.429 7.783 1.00 0.02 H \nATOM 1854 HD12 ILE A 975 19.909 66.856 6.735 1.00 0.02 H \nATOM 1855 HD13 ILE A 975 19.900 66.480 8.491 1.00 0.02 H \nATOM 1856 HG21 ILE A 975 20.907 65.164 10.113 1.00 0.09 H \nATOM 1857 HG22 ILE A 975 20.757 63.550 9.337 1.00 0.09 H \nATOM 1858 HG23 ILE A 975 22.159 63.908 10.402 1.00 0.09 H \nATOM 1859 H ILE A 975 24.492 65.747 7.133 1.00 0.27 H \nATOM 1860 N ASN A 976 24.440 66.228 10.971 1.00 -0.42 N \nATOM 1861 CA ASN A 976 25.343 65.828 12.060 1.00 0.01 C \nATOM 1862 C ASN A 976 24.583 65.245 13.237 1.00 0.60 C \nATOM 1863 O ASN A 976 23.355 65.111 13.196 1.00 -0.57 O \nATOM 1864 CB ASN A 976 26.230 67.011 12.483 1.00 -0.20 C \nATOM 1865 CG ASN A 976 25.440 68.191 13.026 1.00 0.71 C \nATOM 1866 OD1 ASN A 976 24.220 68.128 13.235 1.00 -0.59 O \nATOM 1867 ND2 ASN A 976 26.143 69.287 13.258 1.00 -0.92 N \nATOM 1868 HA ASN A 976 26.003 65.038 11.672 1.00 0.10 H \nATOM 1869 HB2 ASN A 976 26.923 66.666 13.264 1.00 0.08 H \nATOM 1870 HB3 ASN A 976 26.803 67.348 11.607 1.00 0.08 H \nATOM 1871 HD22 ASN A 976 25.691 70.104 13.616 1.00 0.42 H \nATOM 1872 HD21 ASN A 976 27.126 69.298 13.075 1.00 0.42 H \nATOM 1873 H ASN A 976 24.003 67.127 11.001 1.00 0.27 H \nATOM 1874 N LEU A 977 25.294 64.908 14.304 1.00 -0.42 N \nATOM 1875 CA LEU A 977 24.652 64.263 15.440 1.00 -0.05 C \nATOM 1876 C LEU A 977 23.502 65.105 15.999 1.00 0.60 C \nATOM 1877 O LEU A 977 22.442 64.581 16.333 1.00 -0.57 O \nATOM 1878 CB LEU A 977 25.681 63.917 16.512 1.00 -0.11 C \nATOM 1879 CG LEU A 977 25.154 63.272 17.790 1.00 0.35 C \nATOM 1880 CD1 LEU A 977 24.461 61.947 17.475 1.00 -0.41 C \nATOM 1881 CD2 LEU A 977 26.305 63.077 18.770 1.00 -0.41 C \nATOM 1882 HA LEU A 977 24.218 63.318 15.082 1.00 0.09 H \nATOM 1883 HB2 LEU A 977 26.407 63.223 16.064 1.00 0.05 H \nATOM 1884 HB3 LEU A 977 26.192 64.849 16.796 1.00 0.05 H \nATOM 1885 HG LEU A 977 24.416 63.948 18.247 1.00 -0.04 H \nATOM 1886 HD21 LEU A 977 26.759 64.052 19.001 1.00 0.10 H \nATOM 1887 HD22 LEU A 977 25.925 62.621 19.696 1.00 0.10 H \nATOM 1888 HD23 LEU A 977 27.061 62.417 18.320 1.00 0.10 H \nATOM 1889 HD11 LEU A 977 25.175 61.266 16.990 1.00 0.10 H \nATOM 1890 HD12 LEU A 977 24.097 61.492 18.408 1.00 0.10 H \nATOM 1891 HD13 LEU A 977 23.611 62.129 16.800 1.00 0.10 H \nATOM 1892 H LEU A 977 26.276 65.098 14.328 1.00 0.27 H \nATOM 1893 N LYS A 978 23.692 66.415 16.074 1.00 -0.35 N \nATOM 1894 CA LYS A 978 22.655 67.279 16.617 1.00 -0.24 C \nATOM 1895 C LYS A 978 21.372 67.170 15.788 1.00 0.73 C \nATOM 1896 O LYS A 978 20.261 67.106 16.322 1.00 -0.59 O \nATOM 1897 CB LYS A 978 23.146 68.730 16.652 1.00 -0.01 C \nATOM 1898 CG LYS A 978 22.217 69.676 17.392 1.00 0.02 C \nATOM 1899 CD LYS A 978 22.878 71.024 17.657 1.00 -0.05 C \nATOM 1900 CE LYS A 978 22.178 71.765 18.783 1.00 -0.01 C \nATOM 1901 NZ LYS A 978 22.947 72.952 19.240 1.00 -0.39 N \nATOM 1902 HA LYS A 978 22.434 66.958 17.646 1.00 0.14 H \nATOM 1903 HB2 LYS A 978 24.128 68.752 17.147 1.00 0.04 H \nATOM 1904 HB3 LYS A 978 23.249 69.086 15.616 1.00 0.04 H \nATOM 1905 HG2 LYS A 978 21.313 69.835 16.785 1.00 0.01 H \nATOM 1906 HG3 LYS A 978 21.937 69.221 18.354 1.00 0.01 H \nATOM 1907 HD2 LYS A 978 23.930 70.860 17.934 1.00 0.06 H \nATOM 1908 HD3 LYS A 978 22.831 71.633 16.742 1.00 0.06 H \nATOM 1909 HE2 LYS A 978 21.191 72.098 18.428 1.00 0.11 H \nATOM 1910 HE3 LYS A 978 22.050 71.078 19.633 1.00 0.11 H \nATOM 1911 HZ1 LYS A 978 23.073 73.588 18.468 1.00 0.34 H \nATOM 1912 HZ2 LYS A 978 22.442 73.416 19.978 1.00 0.34 H \nATOM 1913 HZ3 LYS A 978 23.848 72.657 19.583 1.00 0.34 H \nATOM 1914 H LYS A 978 24.553 66.811 15.756 1.00 0.27 H \nATOM 1915 N GLN A 979 21.519 67.154 14.476 1.00 -0.42 N \nATOM 1916 CA GLN A 979 20.347 67.060 13.626 1.00 -0.00 C \nATOM 1917 C GLN A 979 19.694 65.665 13.740 1.00 0.60 C \nATOM 1918 O GLN A 979 18.472 65.550 13.749 1.00 -0.57 O \nATOM 1919 CB GLN A 979 20.681 67.390 12.176 1.00 -0.00 C \nATOM 1920 CG GLN A 979 19.443 67.422 11.304 1.00 -0.06 C \nATOM 1921 CD GLN A 979 18.426 68.419 11.824 1.00 0.70 C \nATOM 1922 OE1 GLN A 979 17.347 68.056 12.304 1.00 -0.61 O \nATOM 1923 NE2 GLN A 979 18.781 69.683 11.760 1.00 -0.94 N \nATOM 1924 HA GLN A 979 19.617 67.803 13.979 1.00 0.09 H \nATOM 1925 HB2 GLN A 979 21.168 68.376 12.139 1.00 0.02 H \nATOM 1926 HB3 GLN A 979 21.370 66.626 11.787 1.00 0.02 H \nATOM 1927 HG2 GLN A 979 19.733 67.706 10.282 1.00 0.04 H \nATOM 1928 HG3 GLN A 979 18.988 66.421 11.291 1.00 0.04 H \nATOM 1929 HE22 GLN A 979 18.158 70.394 12.086 1.00 0.43 H \nATOM 1930 HE21 GLN A 979 19.674 69.933 11.386 1.00 0.43 H \nATOM 1931 H GLN A 979 22.432 67.206 14.071 1.00 0.27 H \nATOM 1932 N GLN A 980 20.504 64.615 13.836 1.00 -0.42 N \nATOM 1933 CA GLN A 980 19.968 63.275 14.105 1.00 -0.00 C \nATOM 1934 C GLN A 980 19.144 63.220 15.407 1.00 0.60 C \nATOM 1935 O GLN A 980 18.076 62.608 15.442 1.00 -0.57 O \nATOM 1936 CB GLN A 980 21.092 62.231 14.146 1.00 -0.00 C \nATOM 1937 CG GLN A 980 21.794 62.031 12.804 1.00 -0.06 C \nATOM 1938 CD GLN A 980 23.093 61.249 12.930 1.00 0.70 C \nATOM 1939 OE1 GLN A 980 23.948 61.594 13.734 1.00 -0.61 O \nATOM 1940 NE2 GLN A 980 23.239 60.188 12.133 1.00 -0.94 N \nATOM 1941 HA GLN A 980 19.295 63.016 13.274 1.00 0.09 H \nATOM 1942 HB2 GLN A 980 21.840 62.555 14.884 1.00 0.02 H \nATOM 1943 HB3 GLN A 980 20.661 61.269 14.459 1.00 0.02 H \nATOM 1944 HG2 GLN A 980 21.118 61.483 12.131 1.00 0.04 H \nATOM 1945 HG3 GLN A 980 22.018 63.018 12.374 1.00 0.04 H \nATOM 1946 HE22 GLN A 980 24.075 59.641 12.177 1.00 0.43 H \nATOM 1947 HE21 GLN A 980 22.513 59.941 11.492 1.00 0.43 H \nATOM 1948 H GLN A 980 21.490 64.739 13.724 1.00 0.27 H \nATOM 1949 N LEU A 981 19.639 63.836 16.478 1.00 -0.42 N \nATOM 1950 CA LEU A 981 18.894 63.871 17.734 1.00 -0.05 C \nATOM 1951 C LEU A 981 17.558 64.610 17.590 1.00 0.60 C \nATOM 1952 O LEU A 981 16.520 64.159 18.108 1.00 -0.57 O \nATOM 1953 CB LEU A 981 19.754 64.460 18.869 1.00 -0.11 C \nATOM 1954 CG LEU A 981 21.050 63.687 19.144 1.00 0.35 C \nATOM 1955 CD1 LEU A 981 21.712 64.162 20.428 1.00 -0.41 C \nATOM 1956 CD2 LEU A 981 20.807 62.187 19.211 1.00 -0.41 C \nATOM 1957 HA LEU A 981 18.661 62.831 18.005 1.00 0.09 H \nATOM 1958 HB2 LEU A 981 20.019 65.493 18.600 1.00 0.05 H \nATOM 1959 HB3 LEU A 981 19.153 64.464 19.790 1.00 0.05 H \nATOM 1960 HG LEU A 981 21.741 63.883 18.311 1.00 -0.04 H \nATOM 1961 HD21 LEU A 981 20.384 61.841 18.256 1.00 0.10 H \nATOM 1962 HD22 LEU A 981 21.759 61.669 19.399 1.00 0.10 H \nATOM 1963 HD23 LEU A 981 20.102 61.966 20.026 1.00 0.10 H \nATOM 1964 HD11 LEU A 981 21.022 64.017 21.272 1.00 0.10 H \nATOM 1965 HD12 LEU A 981 22.631 63.583 20.603 1.00 0.10 H \nATOM 1966 HD13 LEU A 981 21.962 65.229 20.338 1.00 0.10 H \nATOM 1967 H LEU A 981 20.533 64.281 16.422 1.00 0.27 H \nATOM 1968 N LYS A 982 17.559 65.718 16.858 1.00 -0.35 N \nATOM 1969 CA LYS A 982 16.312 66.436 16.614 1.00 -0.24 C \nATOM 1970 C LYS A 982 15.318 65.589 15.814 1.00 0.73 C \nATOM 1971 O LYS A 982 14.118 65.637 16.071 1.00 -0.59 O \nATOM 1972 CB LYS A 982 16.573 67.760 15.895 1.00 -0.01 C \nATOM 1973 CG LYS A 982 17.279 68.813 16.732 1.00 0.02 C \nATOM 1974 CD LYS A 982 17.588 70.033 15.865 1.00 -0.05 C \nATOM 1975 CE LYS A 982 18.312 71.139 16.605 1.00 -0.01 C \nATOM 1976 NZ LYS A 982 18.692 72.243 15.672 1.00 -0.39 N \nATOM 1977 HA LYS A 982 15.857 66.661 17.590 1.00 0.14 H \nATOM 1978 HB2 LYS A 982 17.194 67.553 15.011 1.00 0.04 H \nATOM 1979 HB3 LYS A 982 15.605 68.171 15.574 1.00 0.04 H \nATOM 1980 HG2 LYS A 982 16.630 69.113 17.568 1.00 0.01 H \nATOM 1981 HG3 LYS A 982 18.218 68.398 17.128 1.00 0.01 H \nATOM 1982 HD2 LYS A 982 18.217 69.710 15.022 1.00 0.06 H \nATOM 1983 HD3 LYS A 982 16.639 70.436 15.481 1.00 0.06 H \nATOM 1984 HE2 LYS A 982 17.652 71.540 17.389 1.00 0.11 H \nATOM 1985 HE3 LYS A 982 19.222 70.728 17.067 1.00 0.11 H \nATOM 1986 HZ1 LYS A 982 17.862 72.619 15.241 1.00 0.34 H \nATOM 1987 HZ2 LYS A 982 19.163 72.971 16.187 1.00 0.34 H \nATOM 1988 HZ3 LYS A 982 19.307 71.884 14.959 1.00 0.34 H \nATOM 1989 H LYS A 982 18.416 66.061 16.473 1.00 0.27 H \nATOM 1990 N TYR A 983 15.803 64.815 14.840 1.00 -0.42 N \nATOM 1991 CA TYR A 983 14.921 63.896 14.114 1.00 -0.00 C \nATOM 1992 C TYR A 983 14.388 62.861 15.093 1.00 0.60 C \nATOM 1993 O TYR A 983 13.198 62.517 15.074 1.00 -0.57 O \nATOM 1994 CB TYR A 983 15.651 63.156 12.988 1.00 -0.02 C \nATOM 1995 CG TYR A 983 15.999 63.939 11.756 1.00 -0.00 C \nATOM 1996 CD1 TYR A 983 15.412 65.166 11.470 1.00 -0.19 C \nATOM 1997 CD2 TYR A 983 16.905 63.411 10.832 1.00 -0.19 C \nATOM 1998 CE1 TYR A 983 15.740 65.858 10.310 1.00 -0.23 C \nATOM 1999 CE2 TYR A 983 17.235 64.088 9.677 1.00 -0.23 C \nATOM 2000 CZ TYR A 983 16.664 65.311 9.426 1.00 0.32 C \nATOM 2001 OH TYR A 983 17.002 65.967 8.277 1.00 -0.56 O \nATOM 2002 HA TYR A 983 14.085 64.468 13.685 1.00 0.09 H \nATOM 2003 HB3 TYR A 983 16.590 62.764 13.406 1.00 0.03 H \nATOM 2004 HB2 TYR A 983 15.011 62.318 12.676 1.00 0.03 H \nATOM 2005 HD2 TYR A 983 17.359 62.446 11.028 1.00 0.17 H \nATOM 2006 HE2 TYR A 983 17.939 63.658 8.973 1.00 0.17 H \nATOM 2007 HE1 TYR A 983 15.280 66.816 10.096 1.00 0.17 H \nATOM 2008 HD1 TYR A 983 14.690 65.588 12.160 1.00 0.17 H \nATOM 2009 HH TYR A 983 16.536 66.794 8.235 1.00 0.40 H \nATOM 2010 H TYR A 983 16.774 64.862 14.604 1.00 0.27 H \nATOM 2011 N ALA A 984 15.269 62.361 15.954 1.00 -0.42 N \nATOM 2012 CA ALA A 984 14.864 61.366 16.960 1.00 0.03 C \nATOM 2013 C ALA A 984 13.709 61.906 17.825 1.00 0.60 C \nATOM 2014 O ALA A 984 12.685 61.231 18.023 1.00 -0.57 O \nATOM 2015 CB ALA A 984 16.059 60.959 17.817 1.00 -0.18 C \nATOM 2016 HA ALA A 984 14.503 60.471 16.432 1.00 0.08 H \nATOM 2017 HB1 ALA A 984 15.739 60.216 18.563 1.00 0.06 H \nATOM 2018 HB2 ALA A 984 16.839 60.523 17.175 1.00 0.06 H \nATOM 2019 HB3 ALA A 984 16.460 61.845 18.331 1.00 0.06 H \nATOM 2020 H ALA A 984 16.221 62.665 15.918 1.00 0.27 H \nATOM 2021 N VAL A 985 13.852 63.141 18.300 1.00 -0.42 N \nATOM 2022 CA VAL A 985 12.791 63.809 19.056 1.00 -0.09 C \nATOM 2023 C VAL A 985 11.488 63.873 18.253 1.00 0.60 C \nATOM 2024 O VAL A 985 10.416 63.558 18.767 1.00 -0.57 O \nATOM 2025 CB VAL A 985 13.214 65.230 19.502 1.00 0.30 C \nATOM 2026 CG1 VAL A 985 12.022 66.012 20.043 1.00 -0.32 C \nATOM 2027 CG2 VAL A 985 14.314 65.143 20.554 1.00 -0.32 C \nATOM 2028 HA VAL A 985 12.602 63.214 19.961 1.00 0.10 H \nATOM 2029 HB VAL A 985 13.610 65.765 18.626 1.00 -0.03 H \nATOM 2030 HG11 VAL A 985 11.592 65.477 20.903 1.00 0.08 H \nATOM 2031 HG12 VAL A 985 12.353 67.012 20.361 1.00 0.08 H \nATOM 2032 HG13 VAL A 985 11.261 66.111 19.255 1.00 0.08 H \nATOM 2033 HG21 VAL A 985 15.182 64.614 20.134 1.00 0.08 H \nATOM 2034 HG22 VAL A 985 14.614 66.157 20.856 1.00 0.08 H \nATOM 2035 HG23 VAL A 985 13.940 64.595 21.431 1.00 0.08 H \nATOM 2036 H VAL A 985 14.710 63.627 18.136 1.00 0.27 H \nATOM 2037 N GLN A 986 11.587 64.263 16.988 1.00 -0.42 N \nATOM 2038 CA GLN A 986 10.416 64.400 16.138 1.00 -0.00 C \nATOM 2039 C GLN A 986 9.675 63.082 15.914 1.00 0.60 C \nATOM 2040 O GLN A 986 8.445 63.024 15.972 1.00 -0.57 O \nATOM 2041 CB GLN A 986 10.823 65.023 14.816 1.00 -0.00 C \nATOM 2042 CG GLN A 986 11.273 66.458 14.988 1.00 -0.06 C \nATOM 2043 CD GLN A 986 11.831 67.057 13.718 1.00 0.70 C \nATOM 2044 OE1 GLN A 986 11.503 66.621 12.629 1.00 -0.61 O \nATOM 2045 NE2 GLN A 986 12.656 68.087 13.858 1.00 -0.94 N \nATOM 2046 HA GLN A 986 9.719 65.087 16.640 1.00 0.09 H \nATOM 2047 HB2 GLN A 986 11.650 64.439 14.386 1.00 0.02 H \nATOM 2048 HB3 GLN A 986 9.963 64.999 14.131 1.00 0.02 H \nATOM 2049 HG2 GLN A 986 10.410 67.060 15.310 1.00 0.04 H \nATOM 2050 HG3 GLN A 986 12.053 66.491 15.763 1.00 0.04 H \nATOM 2051 HE22 GLN A 986 13.054 68.522 13.050 1.00 0.43 H \nATOM 2052 HE21 GLN A 986 12.879 68.428 14.771 1.00 0.43 H \nATOM 2053 H GLN A 986 12.490 64.468 16.610 1.00 0.27 H \nATOM 2054 N ILE A 987 10.428 62.023 15.667 1.00 -0.42 N \nATOM 2055 CA ILE A 987 9.837 60.693 15.536 1.00 -0.06 C \nATOM 2056 C ILE A 987 9.114 60.294 16.835 1.00 0.60 C \nATOM 2057 O ILE A 987 7.973 59.815 16.799 1.00 -0.57 O \nATOM 2058 CB ILE A 987 10.907 59.654 15.201 1.00 0.13 C \nATOM 2059 CG1 ILE A 987 11.514 59.929 13.814 1.00 -0.04 C \nATOM 2060 CG2 ILE A 987 10.309 58.247 15.274 1.00 -0.32 C \nATOM 2061 CD1 ILE A 987 12.791 59.122 13.570 1.00 -0.07 C \nATOM 2062 HA ILE A 987 9.103 60.717 14.717 1.00 0.09 H \nATOM 2063 HB ILE A 987 11.710 59.728 15.949 1.00 0.02 H \nATOM 2064 HG12 ILE A 987 10.774 59.662 13.045 1.00 0.02 H \nATOM 2065 HG13 ILE A 987 11.752 61.000 13.738 1.00 0.02 H \nATOM 2066 HD11 ILE A 987 12.566 58.048 13.646 1.00 0.02 H \nATOM 2067 HD12 ILE A 987 13.179 59.345 12.565 1.00 0.02 H \nATOM 2068 HD13 ILE A 987 13.546 59.393 14.323 1.00 0.02 H \nATOM 2069 HG21 ILE A 987 9.476 58.165 14.560 1.00 0.09 H \nATOM 2070 HG22 ILE A 987 11.082 57.506 15.022 1.00 0.09 H \nATOM 2071 HG23 ILE A 987 9.939 58.058 16.293 1.00 0.09 H \nATOM 2072 H ILE A 987 11.417 62.134 15.568 1.00 0.27 H \nATOM 2073 N CYS A 988 9.756 60.531 17.983 1.00 -0.42 N \nATOM 2074 CA CYS A 988 9.124 60.245 19.273 1.00 0.02 C \nATOM 2075 C CYS A 988 7.838 61.042 19.482 1.00 0.60 C \nATOM 2076 O CYS A 988 6.859 60.502 20.004 1.00 -0.57 O \nATOM 2077 CB CYS A 988 10.077 60.501 20.443 1.00 -0.12 C \nATOM 2078 SG CYS A 988 11.451 59.351 20.529 1.00 -0.31 S \nATOM 2079 HA CYS A 988 8.861 59.177 19.279 1.00 0.11 H \nATOM 2080 HB2 CYS A 988 10.483 61.518 20.342 1.00 0.11 H \nATOM 2081 HB3 CYS A 988 9.504 60.426 21.379 1.00 0.11 H \nATOM 2082 HG CYS A 988 12.032 59.580 21.320 1.00 0.19 H \nATOM 2083 H CYS A 988 10.681 60.909 17.961 1.00 0.27 H \nATOM 2084 N LYS A 989 7.837 62.312 19.085 1.00 -0.35 N \nATOM 2085 CA LYS A 989 6.648 63.157 19.252 1.00 -0.24 C \nATOM 2086 C LYS A 989 5.485 62.648 18.413 1.00 0.73 C \nATOM 2087 O LYS A 989 4.345 62.614 18.879 1.00 -0.59 O \nATOM 2088 CB LYS A 989 6.958 64.614 18.912 1.00 -0.01 C \nATOM 2089 CG LYS A 989 7.747 65.321 20.010 1.00 0.02 C \nATOM 2090 CD LYS A 989 7.987 66.797 19.718 1.00 -0.05 C \nATOM 2091 CE LYS A 989 8.703 67.480 20.880 1.00 -0.01 C \nATOM 2092 NZ LYS A 989 9.113 68.874 20.548 1.00 -0.39 N \nATOM 2093 HA LYS A 989 6.348 63.111 20.309 1.00 0.14 H \nATOM 2094 HB2 LYS A 989 7.546 64.641 17.983 1.00 0.04 H \nATOM 2095 HB3 LYS A 989 6.009 65.149 18.760 1.00 0.04 H \nATOM 2096 HG2 LYS A 989 7.187 65.237 20.953 1.00 0.01 H \nATOM 2097 HG3 LYS A 989 8.722 64.822 20.117 1.00 0.01 H \nATOM 2098 HD2 LYS A 989 8.605 66.888 18.813 1.00 0.06 H \nATOM 2099 HD3 LYS A 989 7.019 67.292 19.552 1.00 0.06 H \nATOM 2100 HE2 LYS A 989 8.026 67.507 21.747 1.00 0.11 H \nATOM 2101 HE3 LYS A 989 9.601 66.898 21.134 1.00 0.11 H \nATOM 2102 HZ1 LYS A 989 8.297 69.417 20.311 1.00 0.34 H \nATOM 2103 HZ2 LYS A 989 9.572 69.288 21.344 1.00 0.34 H \nATOM 2104 HZ3 LYS A 989 9.747 68.860 19.765 1.00 0.34 H \nATOM 2105 H LYS A 989 8.659 62.697 18.666 1.00 0.27 H \nATOM 2106 N GLY A 990 5.771 62.260 17.173 1.00 -0.42 N \nATOM 2107 CA GLY A 990 4.777 61.659 16.318 1.00 -0.03 C \nATOM 2108 C GLY A 990 4.236 60.366 16.910 1.00 0.60 C \nATOM 2109 O GLY A 990 3.029 60.144 16.931 1.00 -0.57 O \nATOM 2110 HA3 GLY A 990 3.945 62.366 16.186 1.00 0.07 H \nATOM 2111 HA2 GLY A 990 5.232 61.441 15.340 1.00 0.07 H \nATOM 2112 H GLY A 990 6.700 62.388 16.825 1.00 0.27 H \nATOM 2113 N MET A 991 5.141 59.521 17.397 1.00 -0.42 N \nATOM 2114 CA MET A 991 4.772 58.221 17.949 1.00 -0.02 C \nATOM 2115 C MET A 991 3.970 58.365 19.238 1.00 0.60 C \nATOM 2116 O MET A 991 3.025 57.613 19.474 1.00 -0.57 O \nATOM 2117 CB MET A 991 6.022 57.380 18.207 1.00 0.03 C \nATOM 2118 CG MET A 991 6.667 56.856 16.940 1.00 0.00 C \nATOM 2119 SD MET A 991 5.527 55.887 15.936 1.00 -0.27 S \nATOM 2120 CE MET A 991 5.017 54.636 17.124 1.00 -0.05 C \nATOM 2121 HA MET A 991 4.146 57.699 17.210 1.00 0.09 H \nATOM 2122 HB2 MET A 991 6.756 58.001 18.741 1.00 0.02 H \nATOM 2123 HB3 MET A 991 5.741 56.522 18.836 1.00 0.02 H \nATOM 2124 HG2 MET A 991 7.022 57.711 16.345 1.00 0.04 H \nATOM 2125 HG3 MET A 991 7.522 56.221 17.216 1.00 0.04 H \nATOM 2126 HE1 MET A 991 4.550 55.124 17.992 1.00 0.07 H \nATOM 2127 HE2 MET A 991 4.293 53.956 16.652 1.00 0.07 H \nATOM 2128 HE3 MET A 991 5.896 54.064 17.454 1.00 0.07 H \nATOM 2129 H MET A 991 6.105 59.785 17.384 1.00 0.27 H \nATOM 2130 N ASP A 992 4.353 59.336 20.057 1.00 -0.52 N \nATOM 2131 CA ASP A 992 3.657 59.615 21.307 1.00 0.04 C \nATOM 2132 C ASP A 992 2.251 60.129 21.028 1.00 0.54 C \nATOM 2133 O ASP A 992 1.298 59.770 21.720 1.00 -0.58 O \nATOM 2134 CB ASP A 992 4.435 60.646 22.127 1.00 -0.03 C \nATOM 2135 CG ASP A 992 4.008 60.677 23.585 1.00 0.80 C \nATOM 2136 OD1 ASP A 992 3.793 59.594 24.179 1.00 -0.80 O \nATOM 2137 OD2 ASP A 992 3.903 61.789 24.139 1.00 -0.80 O \nATOM 2138 HA ASP A 992 3.585 58.683 21.886 1.00 0.09 H \nATOM 2139 HB2 ASP A 992 5.506 60.399 22.079 1.00 -0.01 H \nATOM 2140 HB3 ASP A 992 4.269 61.642 21.690 1.00 -0.01 H \nATOM 2141 H ASP A 992 5.145 59.894 19.809 1.00 0.29 H \nATOM 2142 N TYR A 993 2.108 60.946 19.994 1.00 -0.42 N \nATOM 2143 CA TYR A 993 0.785 61.362 19.542 1.00 -0.00 C \nATOM 2144 C TYR A 993 -0.076 60.163 19.115 1.00 0.60 C \nATOM 2145 O TYR A 993 -1.249 60.075 19.488 1.00 -0.57 O \nATOM 2146 CB TYR A 993 0.916 62.358 18.400 1.00 -0.02 C \nATOM 2147 CG TYR A 993 -0.384 62.755 17.750 1.00 -0.00 C \nATOM 2148 CD1 TYR A 993 -1.200 63.722 18.313 1.00 -0.19 C \nATOM 2149 CD2 TYR A 993 -0.780 62.182 16.555 1.00 -0.19 C \nATOM 2150 CE1 TYR A 993 -2.383 64.099 17.702 1.00 -0.23 C \nATOM 2151 CE2 TYR A 993 -1.954 62.543 15.941 1.00 -0.23 C \nATOM 2152 CZ TYR A 993 -2.753 63.502 16.518 1.00 0.32 C \nATOM 2153 OH TYR A 993 -3.908 63.861 15.886 1.00 -0.56 O \nATOM 2154 HA TYR A 993 0.279 61.862 20.381 1.00 0.09 H \nATOM 2155 HB3 TYR A 993 1.393 63.268 18.794 1.00 0.03 H \nATOM 2156 HB2 TYR A 993 1.560 61.911 17.629 1.00 0.03 H \nATOM 2157 HD2 TYR A 993 -0.149 61.431 16.093 1.00 0.17 H \nATOM 2158 HE2 TYR A 993 -2.249 62.076 15.008 1.00 0.17 H \nATOM 2159 HE1 TYR A 993 -3.013 64.858 18.152 1.00 0.17 H \nATOM 2160 HD1 TYR A 993 -0.908 64.190 19.246 1.00 0.17 H \nATOM 2161 HH TYR A 993 -4.353 64.528 16.395 1.00 0.40 H \nATOM 2162 H TYR A 993 2.920 61.282 19.516 1.00 0.27 H \nATOM 2163 N LEU A 994 0.509 59.247 18.338 1.00 -0.42 N \nATOM 2164 CA LEU A 994 -0.184 58.027 17.900 1.00 -0.05 C \nATOM 2165 C LEU A 994 -0.614 57.178 19.101 1.00 0.60 C \nATOM 2166 O LEU A 994 -1.730 56.680 19.149 1.00 -0.57 O \nATOM 2167 CB LEU A 994 0.715 57.201 16.976 1.00 -0.11 C \nATOM 2168 CG LEU A 994 0.097 56.059 16.178 1.00 0.35 C \nATOM 2169 CD1 LEU A 994 -0.998 56.555 15.241 1.00 -0.41 C \nATOM 2170 CD2 LEU A 994 1.183 55.318 15.402 1.00 -0.41 C \nATOM 2171 HA LEU A 994 -1.084 58.322 17.341 1.00 0.09 H \nATOM 2172 HB2 LEU A 994 1.161 57.898 16.251 1.00 0.05 H \nATOM 2173 HB3 LEU A 994 1.508 56.766 17.601 1.00 0.05 H \nATOM 2174 HG LEU A 994 -0.360 55.354 16.888 1.00 -0.04 H \nATOM 2175 HD21 LEU A 994 1.928 54.918 16.105 1.00 0.10 H \nATOM 2176 HD22 LEU A 994 0.730 54.490 14.837 1.00 0.10 H \nATOM 2177 HD23 LEU A 994 1.673 56.012 14.704 1.00 0.10 H \nATOM 2178 HD11 LEU A 994 -0.576 57.290 14.540 1.00 0.10 H \nATOM 2179 HD12 LEU A 994 -1.411 55.705 14.677 1.00 0.10 H \nATOM 2180 HD13 LEU A 994 -1.798 57.028 15.830 1.00 0.10 H \nATOM 2181 H LEU A 994 1.453 59.397 18.044 1.00 0.27 H \nATOM 2182 N GLY A 995 0.276 57.040 20.075 1.00 -0.42 N \nATOM 2183 CA GLY A 995 -0.011 56.303 21.295 1.00 -0.03 C \nATOM 2184 C GLY A 995 -1.099 56.945 22.131 1.00 0.60 C \nATOM 2185 O GLY A 995 -1.824 56.256 22.832 1.00 -0.57 O \nATOM 2186 HA3 GLY A 995 -0.331 55.286 21.023 1.00 0.07 H \nATOM 2187 HA2 GLY A 995 0.908 56.249 21.897 1.00 0.07 H \nATOM 2188 H GLY A 995 1.178 57.458 19.966 1.00 0.27 H \nATOM 2189 N SER A 996 -1.214 58.267 22.052 1.00 -0.42 N \nATOM 2190 CA SER A 996 -2.272 58.989 22.757 1.00 -0.02 C \nATOM 2191 C SER A 996 -3.629 58.788 22.074 1.00 0.60 C \nATOM 2192 O SER A 996 -4.667 58.914 22.709 1.00 -0.57 O \nATOM 2193 CB SER A 996 -1.944 60.481 22.847 1.00 0.21 C \nATOM 2194 OG SER A 996 -2.336 61.170 21.670 1.00 -0.65 O \nATOM 2195 HA SER A 996 -2.338 58.587 23.779 1.00 0.08 H \nATOM 2196 HB2 SER A 996 -2.475 60.913 23.708 1.00 0.04 H \nATOM 2197 HB3 SER A 996 -0.860 60.601 22.987 1.00 0.04 H \nATOM 2198 HG SER A 996 -2.120 62.091 21.756 1.00 0.43 H \nATOM 2199 H SER A 996 -0.560 58.781 21.496 1.00 0.27 H \nATOM 2200 N ARG A 997 -3.619 58.482 20.781 1.00 -0.35 N \nATOM 2201 CA ARG A 997 -4.851 58.139 20.076 1.00 -0.26 C \nATOM 2202 C ARG A 997 -5.181 56.662 20.215 1.00 0.73 C \nATOM 2203 O ARG A 997 -6.096 56.175 19.555 1.00 -0.59 O \nATOM 2204 CB ARG A 997 -4.753 58.511 18.594 1.00 -0.00 C \nATOM 2205 CG ARG A 997 -4.470 59.976 18.328 1.00 0.04 C \nATOM 2206 CD ARG A 997 -5.612 60.866 18.775 1.00 0.05 C \nATOM 2207 NE ARG A 997 -5.186 62.249 18.955 1.00 -0.53 N \nATOM 2208 CZ ARG A 997 -6.016 63.270 19.164 1.00 0.81 C \nATOM 2209 NH1 ARG A 997 -7.332 63.079 19.211 1.00 -0.86 N \nATOM 2210 NH2 ARG A 997 -5.533 64.496 19.326 1.00 -0.86 N \nATOM 2211 HA ARG A 997 -5.672 58.718 20.525 1.00 0.16 H \nATOM 2212 HB2 ARG A 997 -3.943 57.918 18.144 1.00 0.03 H \nATOM 2213 HB3 ARG A 997 -5.707 58.253 18.112 1.00 0.03 H \nATOM 2214 HG2 ARG A 997 -3.560 60.266 18.873 1.00 0.03 H \nATOM 2215 HG3 ARG A 997 -4.312 60.117 17.249 1.00 0.03 H \nATOM 2216 HD2 ARG A 997 -6.406 60.835 18.014 1.00 0.07 H \nATOM 2217 HD3 ARG A 997 -6.005 60.488 19.730 1.00 0.07 H \nATOM 2218 HE ARG A 997 -4.176 62.450 18.918 1.00 0.35 H \nATOM 2219 HH12 ARG A 997 -7.963 63.877 19.373 1.00 0.45 H \nATOM 2220 HH11 ARG A 997 -7.720 62.133 19.085 1.00 0.45 H \nATOM 2221 HH22 ARG A 997 -6.175 65.285 19.488 1.00 0.45 H \nATOM 2222 HH21 ARG A 997 -4.516 64.658 19.290 1.00 0.45 H \nATOM 2223 H ARG A 997 -2.752 58.487 20.282 1.00 0.27 H \nATOM 2224 N GLN A 998 -4.439 55.956 21.069 1.00 -0.42 N \nATOM 2225 CA GLN A 998 -4.641 54.531 21.331 1.00 -0.00 C \nATOM 2226 C GLN A 998 -4.345 53.657 20.100 1.00 0.60 C \nATOM 2227 O GLN A 998 -5.088 52.720 19.791 1.00 -0.57 O \nATOM 2228 CB GLN A 998 -6.058 54.278 21.888 1.00 -0.00 C \nATOM 2229 CG GLN A 998 -6.414 55.163 23.081 1.00 -0.06 C \nATOM 2230 CD GLN A 998 -7.860 55.005 23.532 1.00 0.70 C \nATOM 2231 OE1 GLN A 998 -8.793 55.325 22.796 1.00 -0.61 O \nATOM 2232 NE2 GLN A 998 -8.050 54.521 24.754 1.00 -0.94 N \nATOM 2233 HA GLN A 998 -3.924 54.239 22.112 1.00 0.09 H \nATOM 2234 HB2 GLN A 998 -6.786 54.467 21.085 1.00 0.02 H \nATOM 2235 HB3 GLN A 998 -6.125 53.226 22.203 1.00 0.02 H \nATOM 2236 HG2 GLN A 998 -5.755 54.900 23.921 1.00 0.04 H \nATOM 2237 HG3 GLN A 998 -6.248 56.213 22.800 1.00 0.04 H \nATOM 2238 HE22 GLN A 998 -8.979 54.396 25.103 1.00 0.43 H \nATOM 2239 HE21 GLN A 998 -7.264 54.282 25.325 1.00 0.43 H \nATOM 2240 H GLN A 998 -3.704 56.427 21.557 1.00 0.27 H \nATOM 2241 N TYR A 999 -3.252 53.967 19.399 1.00 -0.42 N \nATOM 2242 CA TYR A 999 -2.807 53.144 18.287 1.00 -0.00 C \nATOM 2243 C TYR A 999 -1.424 52.564 18.563 1.00 0.60 C \nATOM 2244 O TYR A 999 -0.617 53.150 19.295 1.00 -0.57 O \nATOM 2245 CB TYR A 999 -2.759 53.948 16.985 1.00 -0.02 C \nATOM 2246 CG TYR A 999 -4.088 54.421 16.445 1.00 -0.00 C \nATOM 2247 CD1 TYR A 999 -5.013 53.532 15.917 1.00 -0.19 C \nATOM 2248 CD2 TYR A 999 -4.397 55.767 16.425 1.00 -0.19 C \nATOM 2249 CE1 TYR A 999 -6.227 53.971 15.415 1.00 -0.23 C \nATOM 2250 CE2 TYR A 999 -5.601 56.220 15.919 1.00 -0.23 C \nATOM 2251 CZ TYR A 999 -6.513 55.322 15.418 1.00 0.32 C \nATOM 2252 OH TYR A 999 -7.705 55.778 14.912 1.00 -0.56 O \nATOM 2253 HA TYR A 999 -3.520 52.316 18.163 1.00 0.09 H \nATOM 2254 HB3 TYR A 999 -2.133 54.835 17.161 1.00 0.03 H \nATOM 2255 HB2 TYR A 999 -2.290 53.315 16.217 1.00 0.03 H \nATOM 2256 HD2 TYR A 999 -3.681 56.482 16.814 1.00 0.17 H \nATOM 2257 HE2 TYR A 999 -5.825 57.281 15.917 1.00 0.17 H \nATOM 2258 HE1 TYR A 999 -6.946 53.261 15.023 1.00 0.17 H \nATOM 2259 HD1 TYR A 999 -4.781 52.473 15.897 1.00 0.17 H \nATOM 2260 HH TYR A 999 -8.222 55.042 14.608 1.00 0.40 H \nATOM 2261 H TYR A 999 -2.728 54.783 19.644 1.00 0.27 H \nATOM 2262 N VAL A1000 -1.180 51.399 17.980 1.00 -0.42 N \nATOM 2263 CA VAL A1000 0.154 50.833 17.878 1.00 -0.09 C \nATOM 2264 C VAL A1000 0.465 50.805 16.393 1.00 0.60 C \nATOM 2265 O VAL A1000 -0.395 50.463 15.570 1.00 -0.57 O \nATOM 2266 CB VAL A1000 0.266 49.414 18.484 1.00 0.30 C \nATOM 2267 CG1 VAL A1000 0.291 49.486 20.002 1.00 -0.32 C \nATOM 2268 CG2 VAL A1000 -0.855 48.508 17.995 1.00 -0.32 C \nATOM 2269 HA VAL A1000 0.868 51.488 18.398 1.00 0.10 H \nATOM 2270 HB VAL A1000 1.219 48.978 18.150 1.00 -0.03 H \nATOM 2271 HG11 VAL A1000 -0.631 49.966 20.362 1.00 0.08 H \nATOM 2272 HG12 VAL A1000 0.360 48.469 20.416 1.00 0.08 H \nATOM 2273 HG13 VAL A1000 1.162 50.075 20.327 1.00 0.08 H \nATOM 2274 HG21 VAL A1000 -0.813 48.431 16.898 1.00 0.08 H \nATOM 2275 HG22 VAL A1000 -0.737 47.508 18.437 1.00 0.08 H \nATOM 2276 HG23 VAL A1000 -1.825 48.930 18.296 1.00 0.08 H \nATOM 2277 H VAL A1000 -1.947 50.887 17.594 1.00 0.27 H \nATOM 2278 N HIS A1001 1.690 51.184 16.055 1.00 -0.42 N \nATOM 2279 CA HIS A1001 2.067 51.392 14.663 1.00 0.02 C \nATOM 2280 C HIS A1001 2.491 50.106 14.005 1.00 0.60 C \nATOM 2281 O HIS A1001 2.125 49.840 12.846 1.00 -0.57 O \nATOM 2282 CB HIS A1001 3.194 52.434 14.567 1.00 -0.05 C \nATOM 2283 CG HIS A1001 3.638 52.703 13.161 1.00 -0.03 C \nATOM 2284 ND1 HIS A1001 3.142 53.705 12.419 1.00 -0.38 N \nATOM 2285 CD2 HIS A1001 4.526 52.021 12.354 1.00 0.13 C \nATOM 2286 CE1 HIS A1001 3.708 53.670 11.201 1.00 0.21 C \nATOM 2287 NE2 HIS A1001 4.544 52.624 11.161 1.00 -0.57 N \nATOM 2288 HA HIS A1001 1.189 51.779 14.125 1.00 0.09 H \nATOM 2289 HB2 HIS A1001 2.835 53.377 15.006 1.00 0.04 H \nATOM 2290 HB3 HIS A1001 4.058 52.067 15.141 1.00 0.04 H \nATOM 2291 HD2 HIS A1001 5.109 51.146 12.639 1.00 0.11 H \nATOM 2292 HE1 HIS A1001 3.520 54.370 10.388 1.00 0.14 H \nATOM 2293 HD1 HIS A1001 2.440 54.391 12.733 1.00 0.36 H \nATOM 2294 H HIS A1001 2.371 51.331 16.772 1.00 0.27 H \nATOM 2295 N ARG A1002 3.338 49.347 14.700 1.00 -0.35 N \nATOM 2296 CA ARG A1002 3.761 47.998 14.272 1.00 -0.26 C \nATOM 2297 C ARG A1002 4.714 47.916 13.066 1.00 0.73 C \nATOM 2298 O ARG A1002 5.050 46.815 12.598 1.00 -0.59 O \nATOM 2299 CB ARG A1002 2.528 47.102 14.011 1.00 -0.00 C \nATOM 2300 CG ARG A1002 1.504 47.083 15.136 1.00 0.04 C \nATOM 2301 CD ARG A1002 0.269 46.249 14.781 1.00 0.05 C \nATOM 2302 NE ARG A1002 0.611 44.948 14.210 1.00 -0.53 N \nATOM 2303 CZ ARG A1002 0.192 44.463 13.039 1.00 0.81 C \nATOM 2304 NH1 ARG A1002 -0.640 45.136 12.257 1.00 -0.86 N \nATOM 2305 NH2 ARG A1002 0.601 43.262 12.654 1.00 -0.86 N \nATOM 2306 HA ARG A1002 4.307 47.568 15.124 1.00 0.16 H \nATOM 2307 HB2 ARG A1002 2.029 47.464 13.100 1.00 0.03 H \nATOM 2308 HB3 ARG A1002 2.881 46.072 13.852 1.00 0.03 H \nATOM 2309 HG2 ARG A1002 1.973 46.656 16.035 1.00 0.03 H \nATOM 2310 HG3 ARG A1002 1.186 48.116 15.343 1.00 0.03 H \nATOM 2311 HD2 ARG A1002 -0.321 46.088 15.695 1.00 0.07 H \nATOM 2312 HD3 ARG A1002 -0.334 46.807 14.049 1.00 0.07 H \nATOM 2313 HE ARG A1002 1.236 44.347 14.765 1.00 0.35 H \nATOM 2314 HH12 ARG A1002 -0.943 44.732 11.359 1.00 0.45 H \nATOM 2315 HH11 ARG A1002 -0.983 46.063 12.547 1.00 0.45 H \nATOM 2316 HH22 ARG A1002 0.286 42.875 11.753 1.00 0.45 H \nATOM 2317 HH21 ARG A1002 1.234 42.716 13.256 1.00 0.45 H \nATOM 2318 H ARG A1002 3.706 49.710 15.556 1.00 0.27 H \nATOM 2319 N ASP A1003 5.180 49.053 12.573 1.00 -0.52 N \nATOM 2320 CA ASP A1003 6.051 49.072 11.396 1.00 0.04 C \nATOM 2321 C ASP A1003 7.042 50.238 11.414 1.00 0.54 C \nATOM 2322 O ASP A1003 7.392 50.784 10.359 1.00 -0.58 O \nATOM 2323 CB ASP A1003 5.199 49.151 10.128 1.00 -0.03 C \nATOM 2324 CG ASP A1003 5.916 48.637 8.904 1.00 0.80 C \nATOM 2325 OD1 ASP A1003 6.849 47.817 9.064 1.00 -0.80 O \nATOM 2326 OD2 ASP A1003 5.544 49.035 7.765 1.00 -0.80 O \nATOM 2327 HA ASP A1003 6.625 48.134 11.380 1.00 0.09 H \nATOM 2328 HB2 ASP A1003 4.289 48.552 10.279 1.00 -0.01 H \nATOM 2329 HB3 ASP A1003 4.922 50.202 9.957 1.00 -0.01 H \nATOM 2330 H ASP A1003 4.932 49.916 13.013 1.00 0.29 H \nATOM 2331 N LEU A1004 7.479 50.636 12.606 1.00 -0.42 N \nATOM 2332 CA LEU A1004 8.328 51.819 12.724 1.00 -0.05 C \nATOM 2333 C LEU A1004 9.739 51.417 12.327 1.00 0.60 C \nATOM 2334 O LEU A1004 10.394 50.663 13.046 1.00 -0.57 O \nATOM 2335 CB LEU A1004 8.320 52.375 14.140 1.00 -0.11 C \nATOM 2336 CG LEU A1004 9.169 53.620 14.396 1.00 0.35 C \nATOM 2337 CD1 LEU A1004 8.811 54.712 13.407 1.00 -0.41 C \nATOM 2338 CD2 LEU A1004 8.971 54.088 15.834 1.00 -0.41 C \nATOM 2339 HA LEU A1004 7.962 52.597 12.038 1.00 0.09 H \nATOM 2340 HB2 LEU A1004 7.279 52.624 14.394 1.00 0.05 H \nATOM 2341 HB3 LEU A1004 8.682 51.582 14.811 1.00 0.05 H \nATOM 2342 HG LEU A1004 10.229 53.359 14.256 1.00 -0.04 H \nATOM 2343 HD21 LEU A1004 9.267 53.285 16.525 1.00 0.10 H \nATOM 2344 HD22 LEU A1004 9.591 54.978 16.019 1.00 0.10 H \nATOM 2345 HD23 LEU A1004 7.912 54.339 15.995 1.00 0.10 H \nATOM 2346 HD11 LEU A1004 7.746 54.966 13.510 1.00 0.10 H \nATOM 2347 HD12 LEU A1004 9.422 55.604 13.609 1.00 0.10 H \nATOM 2348 HD13 LEU A1004 9.006 54.358 12.384 1.00 0.10 H \nATOM 2349 H LEU A1004 7.225 50.123 13.426 1.00 0.27 H \nATOM 2350 N ALA A1005 10.151 51.881 11.154 1.00 -0.42 N \nATOM 2351 CA ALA A1005 11.498 51.700 10.624 1.00 0.03 C \nATOM 2352 C ALA A1005 11.811 52.934 9.796 1.00 0.60 C \nATOM 2353 O ALA A1005 10.899 53.667 9.416 1.00 -0.57 O \nATOM 2354 CB ALA A1005 11.574 50.453 9.757 1.00 -0.18 C \nATOM 2355 HA ALA A1005 12.217 51.610 11.452 1.00 0.08 H \nATOM 2356 HB1 ALA A1005 12.597 50.338 9.369 1.00 0.06 H \nATOM 2357 HB2 ALA A1005 11.308 49.571 10.359 1.00 0.06 H \nATOM 2358 HB3 ALA A1005 10.872 50.548 8.916 1.00 0.06 H \nATOM 2359 H ALA A1005 9.494 52.389 10.596 1.00 0.27 H \nATOM 2360 N ALA A1006 13.091 53.137 9.486 1.00 -0.42 N \nATOM 2361 CA ALA A1006 13.561 54.343 8.809 1.00 0.03 C \nATOM 2362 C ALA A1006 12.890 54.515 7.453 1.00 0.60 C \nATOM 2363 O ALA A1006 12.609 55.643 7.040 1.00 -0.57 O \nATOM 2364 CB ALA A1006 15.085 54.316 8.657 1.00 -0.18 C \nATOM 2365 HA ALA A1006 13.294 55.209 9.433 1.00 0.08 H \nATOM 2366 HB1 ALA A1006 15.419 55.231 8.146 1.00 0.06 H \nATOM 2367 HB2 ALA A1006 15.552 54.261 9.651 1.00 0.06 H \nATOM 2368 HB3 ALA A1006 15.379 53.437 8.065 1.00 0.06 H \nATOM 2369 H ALA A1006 13.759 52.433 9.727 1.00 0.27 H \nATOM 2370 N ARG A1007 12.602 53.406 6.777 1.00 -0.35 N \nATOM 2371 CA ARG A1007 11.875 53.453 5.492 1.00 -0.26 C \nATOM 2372 C ARG A1007 10.484 54.122 5.577 1.00 0.73 C \nATOM 2373 O ARG A1007 9.978 54.595 4.579 1.00 -0.59 O \nATOM 2374 CB ARG A1007 11.747 52.041 4.890 1.00 -0.00 C \nATOM 2375 CG ARG A1007 10.971 51.048 5.749 1.00 0.04 C \nATOM 2376 CD ARG A1007 10.948 49.622 5.180 1.00 0.05 C \nATOM 2377 NE ARG A1007 10.712 48.698 6.282 1.00 -0.53 N \nATOM 2378 CZ ARG A1007 9.525 48.398 6.807 1.00 0.81 C \nATOM 2379 NH1 ARG A1007 8.395 48.903 6.312 1.00 -0.86 N \nATOM 2380 NH2 ARG A1007 9.463 47.571 7.844 1.00 -0.86 N \nATOM 2381 HA ARG A1007 12.482 54.058 4.802 1.00 0.16 H \nATOM 2382 HB2 ARG A1007 11.235 52.127 3.920 1.00 0.03 H \nATOM 2383 HB3 ARG A1007 12.760 51.641 4.736 1.00 0.03 H \nATOM 2384 HG2 ARG A1007 11.434 51.016 6.746 1.00 0.03 H \nATOM 2385 HG3 ARG A1007 9.934 51.403 5.838 1.00 0.03 H \nATOM 2386 HD2 ARG A1007 10.142 49.530 4.437 1.00 0.07 H \nATOM 2387 HD3 ARG A1007 11.913 49.395 4.704 1.00 0.07 H \nATOM 2388 HE ARG A1007 11.536 48.236 6.691 1.00 0.35 H \nATOM 2389 HH12 ARG A1007 7.490 48.655 6.737 1.00 0.45 H \nATOM 2390 HH11 ARG A1007 8.427 49.542 5.504 1.00 0.45 H \nATOM 2391 HH22 ARG A1007 8.551 47.332 8.258 1.00 0.45 H \nATOM 2392 HH21 ARG A1007 10.327 47.169 8.234 1.00 0.45 H \nATOM 2393 H ARG A1007 12.884 52.521 7.147 1.00 0.27 H \nATOM 2394 N ASN A1008 9.894 54.166 6.770 1.00 -0.42 N \nATOM 2395 CA ASN A1008 8.576 54.770 6.982 1.00 0.01 C \nATOM 2396 C ASN A1008 8.667 56.166 7.634 1.00 0.60 C \nATOM 2397 O ASN A1008 7.659 56.738 8.020 1.00 -0.57 O \nATOM 2398 CB ASN A1008 7.695 53.855 7.842 1.00 -0.20 C \nATOM 2399 CG ASN A1008 7.194 52.636 7.083 1.00 0.71 C \nATOM 2400 OD1 ASN A1008 7.035 52.669 5.866 1.00 -0.59 O \nATOM 2401 ND2 ASN A1008 6.936 51.553 7.808 1.00 -0.92 N \nATOM 2402 HA ASN A1008 8.097 54.886 5.998 1.00 0.10 H \nATOM 2403 HB2 ASN A1008 8.282 53.513 8.707 1.00 0.08 H \nATOM 2404 HB3 ASN A1008 6.827 54.432 8.193 1.00 0.08 H \nATOM 2405 HD22 ASN A1008 6.604 50.721 7.363 1.00 0.42 H \nATOM 2406 HD21 ASN A1008 7.074 51.570 8.798 1.00 0.42 H \nATOM 2407 H ASN A1008 10.371 53.770 7.555 1.00 0.27 H \nATOM 2408 N VAL A1009 9.875 56.713 7.736 1.00 -0.42 N \nATOM 2409 CA VAL A1009 10.066 58.072 8.223 1.00 -0.09 C \nATOM 2410 C VAL A1009 10.461 58.977 7.083 1.00 0.60 C \nATOM 2411 O VAL A1009 11.563 58.866 6.543 1.00 -0.57 O \nATOM 2412 CB VAL A1009 11.156 58.136 9.300 1.00 0.30 C \nATOM 2413 CG1 VAL A1009 11.414 59.583 9.703 1.00 -0.32 C \nATOM 2414 CG2 VAL A1009 10.762 57.291 10.492 1.00 -0.32 C \nATOM 2415 HA VAL A1009 9.118 58.427 8.654 1.00 0.10 H \nATOM 2416 HB VAL A1009 12.086 57.725 8.880 1.00 -0.03 H \nATOM 2417 HG11 VAL A1009 10.486 60.026 10.092 1.00 0.08 H \nATOM 2418 HG12 VAL A1009 12.190 59.614 10.482 1.00 0.08 H \nATOM 2419 HG13 VAL A1009 11.753 60.153 8.826 1.00 0.08 H \nATOM 2420 HG21 VAL A1009 10.621 56.248 10.172 1.00 0.08 H \nATOM 2421 HG22 VAL A1009 11.556 57.337 11.252 1.00 0.08 H \nATOM 2422 HG23 VAL A1009 9.823 57.674 10.918 1.00 0.08 H \nATOM 2423 H VAL A1009 10.675 56.175 7.471 1.00 0.27 H \nATOM 2424 N LEU A1010 9.563 59.882 6.729 1.00 -0.42 N \nATOM 2425 CA LEU A1010 9.759 60.761 5.585 1.00 -0.05 C \nATOM 2426 C LEU A1010 10.472 62.047 6.014 1.00 0.60 C \nATOM 2427 O LEU A1010 10.331 62.487 7.140 1.00 -0.57 O \nATOM 2428 CB LEU A1010 8.418 61.109 4.970 1.00 -0.11 C \nATOM 2429 CG LEU A1010 7.607 59.985 4.323 1.00 0.35 C \nATOM 2430 CD1 LEU A1010 6.248 60.504 3.855 1.00 -0.41 C \nATOM 2431 CD2 LEU A1010 8.356 59.372 3.152 1.00 -0.41 C \nATOM 2432 HA LEU A1010 10.376 60.242 4.837 1.00 0.09 H \nATOM 2433 HB2 LEU A1010 7.796 61.543 5.767 1.00 0.05 H \nATOM 2434 HB3 LEU A1010 8.602 61.867 4.194 1.00 0.05 H \nATOM 2435 HG LEU A1010 7.441 59.202 5.077 1.00 -0.04 H \nATOM 2436 HD21 LEU A1010 9.316 58.966 3.503 1.00 0.10 H \nATOM 2437 HD22 LEU A1010 7.754 58.562 2.715 1.00 0.10 H \nATOM 2438 HD23 LEU A1010 8.540 60.144 2.390 1.00 0.10 H \nATOM 2439 HD11 LEU A1010 6.396 61.314 3.125 1.00 0.10 H \nATOM 2440 HD12 LEU A1010 5.685 59.685 3.384 1.00 0.10 H \nATOM 2441 HD13 LEU A1010 5.685 60.887 4.719 1.00 0.10 H \nATOM 2442 H LEU A1010 8.723 59.965 7.265 1.00 0.27 H \nATOM 2443 N VAL A1011 11.236 62.614 5.095 1.00 -0.42 N \nATOM 2444 CA VAL A1011 11.985 63.831 5.317 1.00 -0.09 C \nATOM 2445 C VAL A1011 11.245 64.975 4.676 1.00 0.60 C \nATOM 2446 O VAL A1011 11.124 65.029 3.447 1.00 -0.57 O \nATOM 2447 CB VAL A1011 13.384 63.716 4.700 1.00 0.30 C \nATOM 2448 CG1 VAL A1011 14.126 65.053 4.767 1.00 -0.32 C \nATOM 2449 CG2 VAL A1011 14.146 62.607 5.398 1.00 -0.32 C \nATOM 2450 HA VAL A1011 12.079 64.011 6.398 1.00 0.10 H \nATOM 2451 HB VAL A1011 13.275 63.444 3.640 1.00 -0.03 H \nATOM 2452 HG11 VAL A1011 14.220 65.368 5.817 1.00 0.08 H \nATOM 2453 HG12 VAL A1011 15.128 64.939 4.328 1.00 0.08 H \nATOM 2454 HG13 VAL A1011 13.564 65.813 4.205 1.00 0.08 H \nATOM 2455 HG21 VAL A1011 13.602 61.658 5.281 1.00 0.08 H \nATOM 2456 HG22 VAL A1011 15.147 62.513 4.952 1.00 0.08 H \nATOM 2457 HG23 VAL A1011 14.242 62.845 6.468 1.00 0.08 H \nATOM 2458 H VAL A1011 11.299 62.177 4.198 1.00 0.27 H \nATOM 2459 N GLU A1012 10.711 65.868 5.502 1.00 -0.52 N \nATOM 2460 CA GLU A1012 10.007 67.052 5.001 1.00 0.04 C \nATOM 2461 C GLU A1012 11.011 68.113 4.599 1.00 0.54 C \nATOM 2462 O GLU A1012 10.805 68.856 3.629 1.00 -0.58 O \nATOM 2463 CB GLU A1012 9.049 67.616 6.065 1.00 0.06 C \nATOM 2464 CG GLU A1012 8.467 69.011 5.795 1.00 0.01 C \nATOM 2465 CD GLU A1012 7.572 69.084 4.570 1.00 0.81 C \nATOM 2466 OE1 GLU A1012 6.780 68.145 4.323 1.00 -0.82 O \nATOM 2467 OE2 GLU A1012 7.647 70.098 3.848 1.00 -0.82 O \nATOM 2468 HA GLU A1012 9.420 66.764 4.117 1.00 0.11 H \nATOM 2469 HB2 GLU A1012 8.206 66.915 6.160 1.00 -0.02 H \nATOM 2470 HB3 GLU A1012 9.597 67.662 7.017 1.00 -0.02 H \nATOM 2471 HG2 GLU A1012 7.877 69.315 6.672 1.00 -0.04 H \nATOM 2472 HG3 GLU A1012 9.303 69.712 5.654 1.00 -0.04 H \nATOM 2473 H GLU A1012 10.791 65.729 6.489 1.00 0.29 H \nATOM 2474 N SER A1013 12.080 68.200 5.374 1.00 -0.42 N \nATOM 2475 CA SER A1013 13.159 69.141 5.123 1.00 -0.02 C \nATOM 2476 C SER A1013 14.345 68.710 5.956 1.00 0.60 C \nATOM 2477 O SER A1013 14.223 67.832 6.796 1.00 -0.57 O \nATOM 2478 CB SER A1013 12.742 70.564 5.509 1.00 0.21 C \nATOM 2479 OG SER A1013 12.753 70.754 6.918 1.00 -0.65 O \nATOM 2480 HA SER A1013 13.426 69.120 4.056 1.00 0.08 H \nATOM 2481 HB2 SER A1013 13.441 71.277 5.048 1.00 0.04 H \nATOM 2482 HB3 SER A1013 11.726 70.752 5.132 1.00 0.04 H \nATOM 2483 HG SER A1013 12.490 71.644 7.119 1.00 0.43 H \nATOM 2484 H SER A1013 12.148 67.593 6.166 1.00 0.27 H \nATOM 2485 N GLU A1014 15.487 69.345 5.733 1.00 -0.52 N \nATOM 2486 CA GLU A1014 16.666 69.138 6.565 1.00 0.04 C \nATOM 2487 C GLU A1014 16.358 69.216 8.068 1.00 0.54 C \nATOM 2488 O GLU A1014 17.059 68.607 8.880 1.00 -0.58 O \nATOM 2489 CB GLU A1014 17.709 70.208 6.205 1.00 0.06 C \nATOM 2490 CG GLU A1014 19.022 70.100 6.950 1.00 0.01 C \nATOM 2491 CD GLU A1014 19.956 71.242 6.625 1.00 0.81 C \nATOM 2492 OE1 GLU A1014 19.842 71.804 5.512 1.00 -0.82 O \nATOM 2493 OE2 GLU A1014 20.796 71.573 7.487 1.00 -0.82 O \nATOM 2494 HA GLU A1014 17.078 68.142 6.347 1.00 0.11 H \nATOM 2495 HB2 GLU A1014 17.920 70.129 5.128 1.00 -0.02 H \nATOM 2496 HB3 GLU A1014 17.274 71.195 6.422 1.00 -0.02 H \nATOM 2497 HG2 GLU A1014 18.818 70.105 8.031 1.00 -0.04 H \nATOM 2498 HG3 GLU A1014 19.510 69.154 6.674 1.00 -0.04 H \nATOM 2499 H GLU A1014 15.542 69.987 4.969 1.00 0.29 H \nATOM 2500 N HIS A1015 15.327 69.975 8.429 1.00 -0.42 N \nATOM 2501 CA HIS A1015 14.964 70.217 9.835 1.00 0.02 C \nATOM 2502 C HIS A1015 13.740 69.470 10.308 1.00 0.60 C \nATOM 2503 O HIS A1015 13.360 69.595 11.476 1.00 -0.57 O \nATOM 2504 CB HIS A1015 14.753 71.717 10.067 1.00 -0.05 C \nATOM 2505 CG HIS A1015 15.826 72.585 9.437 1.00 -0.03 C \nATOM 2506 ND1 HIS A1015 17.081 72.638 9.912 1.00 -0.38 N \nATOM 2507 CD2 HIS A1015 15.798 73.409 8.317 1.00 0.13 C \nATOM 2508 CE1 HIS A1015 17.818 73.460 9.152 1.00 0.21 C \nATOM 2509 NE2 HIS A1015 17.031 73.937 8.176 1.00 -0.57 N \nATOM 2510 HA HIS A1015 15.812 69.886 10.453 1.00 0.09 H \nATOM 2511 HB2 HIS A1015 13.780 72.002 9.640 1.00 0.04 H \nATOM 2512 HB3 HIS A1015 14.746 71.904 11.151 1.00 0.04 H \nATOM 2513 HD2 HIS A1015 14.939 73.594 7.673 1.00 0.11 H \nATOM 2514 HE1 HIS A1015 18.870 73.699 9.301 1.00 0.14 H \nATOM 2515 HD1 HIS A1015 17.425 72.125 10.736 1.00 0.36 H \nATOM 2516 H HIS A1015 14.774 70.400 7.713 1.00 0.27 H \nATOM 2517 N GLN A1016 13.104 68.667 9.449 1.00 -0.42 N \nATOM 2518 CA GLN A1016 11.841 68.040 9.866 1.00 -0.00 C \nATOM 2519 C GLN A1016 11.567 66.680 9.207 1.00 0.60 C \nATOM 2520 O GLN A1016 11.714 66.519 7.980 1.00 -0.57 O \nATOM 2521 CB GLN A1016 10.677 69.007 9.602 1.00 -0.00 C \nATOM 2522 CG GLN A1016 9.321 68.504 10.083 1.00 -0.06 C \nATOM 2523 CD GLN A1016 8.179 69.449 9.752 1.00 0.70 C \nATOM 2524 OE1 GLN A1016 8.332 70.374 8.963 1.00 -0.61 O \nATOM 2525 NE2 GLN A1016 7.025 69.206 10.345 1.00 -0.94 N \nATOM 2526 HA GLN A1016 11.903 67.868 10.951 1.00 0.09 H \nATOM 2527 HB2 GLN A1016 10.894 69.955 10.115 1.00 0.02 H \nATOM 2528 HB3 GLN A1016 10.614 69.183 8.518 1.00 0.02 H \nATOM 2529 HG2 GLN A1016 9.120 67.533 9.607 1.00 0.04 H \nATOM 2530 HG3 GLN A1016 9.363 68.376 11.175 1.00 0.04 H \nATOM 2531 HE22 GLN A1016 6.237 69.795 10.166 1.00 0.43 H \nATOM 2532 HE21 GLN A1016 6.939 68.433 10.974 1.00 0.43 H \nATOM 2533 H GLN A1016 13.481 68.496 8.539 1.00 0.27 H \nATOM 2534 N VAL A1017 11.169 65.714 10.033 1.00 -0.42 N \nATOM 2535 CA VAL A1017 10.711 64.410 9.559 1.00 -0.09 C \nATOM 2536 C VAL A1017 9.258 64.148 9.962 1.00 0.60 C \nATOM 2537 O VAL A1017 8.728 64.777 10.866 1.00 -0.57 O \nATOM 2538 CB VAL A1017 11.598 63.231 10.035 1.00 0.30 C \nATOM 2539 CG1 VAL A1017 12.970 63.292 9.363 1.00 -0.32 C \nATOM 2540 CG2 VAL A1017 11.708 63.194 11.562 1.00 -0.32 C \nATOM 2541 HA VAL A1017 10.757 64.433 8.460 1.00 0.10 H \nATOM 2542 HB VAL A1017 11.113 62.297 9.717 1.00 -0.03 H \nATOM 2543 HG11 VAL A1017 13.460 64.244 9.615 1.00 0.08 H \nATOM 2544 HG12 VAL A1017 13.590 62.456 9.719 1.00 0.08 H \nATOM 2545 HG13 VAL A1017 12.848 63.220 8.272 1.00 0.08 H \nATOM 2546 HG21 VAL A1017 10.705 63.085 11.999 1.00 0.08 H \nATOM 2547 HG22 VAL A1017 12.334 62.342 11.864 1.00 0.08 H \nATOM 2548 HG23 VAL A1017 12.164 64.129 11.919 1.00 0.08 H \nATOM 2549 H VAL A1017 11.184 65.888 11.018 1.00 0.27 H \nATOM 2550 N LYS A1018 8.618 63.239 9.234 1.00 -0.35 N \nATOM 2551 CA LYS A1018 7.247 62.834 9.489 1.00 -0.24 C \nATOM 2552 C LYS A1018 7.114 61.311 9.344 1.00 0.73 C \nATOM 2553 O LYS A1018 7.714 60.697 8.465 1.00 -0.59 O \nATOM 2554 CB LYS A1018 6.294 63.497 8.497 1.00 -0.01 C \nATOM 2555 CG LYS A1018 6.367 65.003 8.455 1.00 0.02 C \nATOM 2556 CD LYS A1018 5.174 65.553 7.721 1.00 -0.05 C \nATOM 2557 CE LYS A1018 5.262 67.041 7.497 1.00 -0.01 C \nATOM 2558 NZ LYS A1018 3.996 67.542 6.881 1.00 -0.39 N \nATOM 2559 HA LYS A1018 6.971 63.130 10.512 1.00 0.14 H \nATOM 2560 HB2 LYS A1018 6.527 63.116 7.492 1.00 0.04 H \nATOM 2561 HB3 LYS A1018 5.267 63.212 8.768 1.00 0.04 H \nATOM 2562 HG2 LYS A1018 6.377 65.397 9.482 1.00 0.01 H \nATOM 2563 HG3 LYS A1018 7.287 65.309 7.936 1.00 0.01 H \nATOM 2564 HD2 LYS A1018 5.102 65.054 6.743 1.00 0.06 H \nATOM 2565 HD3 LYS A1018 4.270 65.339 8.310 1.00 0.06 H \nATOM 2566 HE2 LYS A1018 5.422 67.546 8.461 1.00 0.11 H \nATOM 2567 HE3 LYS A1018 6.105 67.259 6.825 1.00 0.11 H \nATOM 2568 HZ1 LYS A1018 3.221 67.336 7.492 1.00 0.34 H \nATOM 2569 HZ2 LYS A1018 4.060 68.539 6.744 1.00 0.34 H \nATOM 2570 HZ3 LYS A1018 3.853 67.089 5.992 1.00 0.34 H \nATOM 2571 H LYS A1018 9.105 62.812 8.472 1.00 0.27 H \nATOM 2572 N ILE A1019 6.315 60.708 10.212 1.00 -0.42 N \nATOM 2573 CA ILE A1019 5.960 59.299 10.060 1.00 -0.06 C \nATOM 2574 C ILE A1019 5.043 59.248 8.853 1.00 0.60 C \nATOM 2575 O ILE A1019 4.045 59.950 8.819 1.00 -0.57 O \nATOM 2576 CB ILE A1019 5.255 58.747 11.298 1.00 0.13 C \nATOM 2577 CG1 ILE A1019 6.118 58.926 12.548 1.00 -0.04 C \nATOM 2578 CG2 ILE A1019 4.914 57.273 11.101 1.00 -0.32 C \nATOM 2579 CD1 ILE A1019 5.315 58.753 13.818 1.00 -0.07 C \nATOM 2580 HA ILE A1019 6.866 58.703 9.873 1.00 0.09 H \nATOM 2581 HB ILE A1019 4.318 59.306 11.441 1.00 0.02 H \nATOM 2582 HG12 ILE A1019 6.925 58.179 12.533 1.00 0.02 H \nATOM 2583 HG13 ILE A1019 6.554 59.936 12.538 1.00 0.02 H \nATOM 2584 HD11 ILE A1019 4.871 57.747 13.837 1.00 0.02 H \nATOM 2585 HD12 ILE A1019 5.975 58.880 14.689 1.00 0.02 H \nATOM 2586 HD13 ILE A1019 4.515 59.507 13.851 1.00 0.02 H \nATOM 2587 HG21 ILE A1019 5.838 56.704 10.920 1.00 0.09 H \nATOM 2588 HG22 ILE A1019 4.417 56.888 12.003 1.00 0.09 H \nATOM 2589 HG23 ILE A1019 4.242 57.165 10.237 1.00 0.09 H \nATOM 2590 H ILE A1019 5.949 61.226 10.985 1.00 0.27 H \nATOM 2591 N GLY A1020 5.386 58.424 7.866 1.00 -0.42 N \nATOM 2592 CA GLY A1020 4.785 58.509 6.535 1.00 -0.03 C \nATOM 2593 C GLY A1020 4.008 57.313 6.025 1.00 0.60 C \nATOM 2594 O GLY A1020 3.611 57.283 4.857 1.00 -0.57 O \nATOM 2595 HA3 GLY A1020 4.097 59.367 6.542 1.00 0.07 H \nATOM 2596 HA2 GLY A1020 5.600 58.698 5.820 1.00 0.07 H \nATOM 2597 H GLY A1020 6.078 57.723 8.040 1.00 0.27 H \nATOM 2598 N ASP A1021 3.774 56.327 6.876 1.00 -0.52 N \nATOM 2599 CA ASP A1021 2.925 55.200 6.483 1.00 0.04 C \nATOM 2600 C ASP A1021 2.305 54.583 7.692 1.00 0.54 C \nATOM 2601 O ASP A1021 2.892 54.618 8.749 1.00 -0.58 O \nATOM 2602 CB ASP A1021 3.709 54.144 5.729 1.00 -0.03 C \nATOM 2603 CG ASP A1021 2.804 53.065 5.166 1.00 0.80 C \nATOM 2604 OD1 ASP A1021 2.169 53.310 4.114 1.00 -0.80 O \nATOM 2605 OD2 ASP A1021 2.708 51.991 5.793 1.00 -0.80 O \nATOM 2606 HA ASP A1021 2.127 55.578 5.827 1.00 0.09 H \nATOM 2607 HB2 ASP A1021 4.248 54.625 4.900 1.00 -0.01 H \nATOM 2608 HB3 ASP A1021 4.432 53.680 6.416 1.00 -0.01 H \nATOM 2609 H ASP A1021 4.178 56.351 7.790 1.00 0.29 H \nATOM 2610 N PHE A1022 1.098 54.053 7.523 1.00 -0.42 N \nATOM 2611 CA PHE A1022 0.305 53.504 8.621 1.00 -0.00 C \nATOM 2612 C PHE A1022 -0.382 52.188 8.251 1.00 0.60 C \nATOM 2613 O PHE A1022 -1.360 51.803 8.873 1.00 -0.57 O \nATOM 2614 CB PHE A1022 -0.710 54.559 9.086 1.00 -0.03 C \nATOM 2615 CG PHE A1022 -0.048 55.793 9.601 1.00 0.01 C \nATOM 2616 CD1 PHE A1022 0.364 56.786 8.722 1.00 -0.13 C \nATOM 2617 CD2 PHE A1022 0.264 55.908 10.945 1.00 -0.13 C \nATOM 2618 CE1 PHE A1022 1.031 57.902 9.190 1.00 -0.17 C \nATOM 2619 CE2 PHE A1022 0.931 57.018 11.422 1.00 -0.17 C \nATOM 2620 CZ PHE A1022 1.315 58.008 10.548 1.00 -0.11 C \nATOM 2621 HA PHE A1022 0.987 53.295 9.458 1.00 0.10 H \nATOM 2622 HB2 PHE A1022 -1.353 54.831 8.236 1.00 0.03 H \nATOM 2623 HB3 PHE A1022 -1.327 54.127 9.888 1.00 0.03 H \nATOM 2624 HD2 PHE A1022 -0.019 55.117 11.630 1.00 0.13 H \nATOM 2625 HE2 PHE A1022 1.151 57.109 12.480 1.00 0.14 H \nATOM 2626 HZ PHE A1022 1.843 58.878 10.920 1.00 0.13 H \nATOM 2627 HE1 PHE A1022 1.330 58.688 8.506 1.00 0.14 H \nATOM 2628 HD1 PHE A1022 0.161 56.685 7.662 1.00 0.13 H \nATOM 2629 H PHE A1022 0.714 54.029 6.600 1.00 0.27 H \nATOM 2630 N GLY A1023 0.184 51.485 7.276 1.00 -0.42 N \nATOM 2631 CA GLY A1023 -0.370 50.229 6.754 1.00 -0.03 C \nATOM 2632 C GLY A1023 -0.644 49.105 7.732 1.00 0.60 C \nATOM 2633 O GLY A1023 -1.514 48.276 7.477 1.00 -0.57 O \nATOM 2634 HA3 GLY A1023 -1.323 50.473 6.262 1.00 0.07 H \nATOM 2635 HA2 GLY A1023 0.340 49.845 6.007 1.00 0.07 H \nATOM 2636 H GLY A1023 1.033 51.830 6.876 1.00 0.27 H \nATOM 2637 N LEU A1024 0.095 49.062 8.837 1.00 -0.42 N \nATOM 2638 CA LEU A1024 -0.073 48.022 9.843 1.00 -0.05 C \nATOM 2639 C LEU A1024 -0.638 48.556 11.141 1.00 0.60 C \nATOM 2640 O LEU A1024 -0.777 47.804 12.086 1.00 -0.57 O \nATOM 2641 CB LEU A1024 1.260 47.322 10.144 1.00 -0.11 C \nATOM 2642 CG LEU A1024 2.018 46.630 9.017 1.00 0.35 C \nATOM 2643 CD1 LEU A1024 3.009 45.637 9.629 1.00 -0.41 C \nATOM 2644 CD2 LEU A1024 1.102 45.915 8.032 1.00 -0.41 C \nATOM 2645 HA LEU A1024 -0.776 47.278 9.441 1.00 0.09 H \nATOM 2646 HB2 LEU A1024 1.934 48.084 10.562 1.00 0.05 H \nATOM 2647 HB3 LEU A1024 1.054 46.557 10.907 1.00 0.05 H \nATOM 2648 HG LEU A1024 2.581 47.395 8.462 1.00 -0.04 H \nATOM 2649 HD21 LEU A1024 0.409 46.641 7.582 1.00 0.10 H \nATOM 2650 HD22 LEU A1024 1.707 45.447 7.242 1.00 0.10 H \nATOM 2651 HD23 LEU A1024 0.528 45.140 8.561 1.00 0.10 H \nATOM 2652 HD11 LEU A1024 2.462 44.897 10.232 1.00 0.10 H \nATOM 2653 HD12 LEU A1024 3.556 45.123 8.825 1.00 0.10 H \nATOM 2654 HD13 LEU A1024 3.721 46.178 10.270 1.00 0.10 H \nATOM 2655 H LEU A1024 0.789 49.767 8.982 1.00 0.27 H \nATOM 2656 N THR A1025 -0.985 49.843 11.196 1.00 -0.42 N \nATOM 2657 CA THR A1025 -1.427 50.452 12.445 1.00 -0.04 C \nATOM 2658 C THR A1025 -2.777 49.877 12.919 1.00 0.60 C \nATOM 2659 O THR A1025 -3.683 49.680 12.127 1.00 -0.57 O \nATOM 2660 CB THR A1025 -1.535 51.984 12.307 1.00 0.37 C \nATOM 2661 OG1 THR A1025 -0.227 52.539 12.100 1.00 -0.68 O \nATOM 2662 CG2 THR A1025 -2.158 52.606 13.548 1.00 -0.24 C \nATOM 2663 HA THR A1025 -0.672 50.228 13.213 1.00 0.10 H \nATOM 2664 HB THR A1025 -2.168 52.218 11.438 1.00 0.00 H \nATOM 2665 HG1 THR A1025 -0.293 53.483 12.015 1.00 0.41 H \nATOM 2666 HG23 THR A1025 -3.227 52.792 13.368 1.00 0.06 H \nATOM 2667 HG21 THR A1025 -2.044 51.919 14.399 1.00 0.06 H \nATOM 2668 HG22 THR A1025 -1.653 53.557 13.775 1.00 0.06 H \nATOM 2669 H THR A1025 -0.941 50.400 10.366 1.00 0.27 H \nATOM 2670 N LYS A1026 -2.891 49.643 14.224 1.00 -0.35 N \nATOM 2671 CA LYS A1026 -4.072 49.033 14.815 1.00 -0.24 C \nATOM 2672 C LYS A1026 -4.452 49.765 16.087 1.00 0.73 C \nATOM 2673 O LYS A1026 -3.590 50.303 16.789 1.00 -0.59 O \nATOM 2674 CB LYS A1026 -3.800 47.561 15.140 1.00 -0.01 C \nATOM 2675 CG LYS A1026 -3.616 46.650 13.935 1.00 0.02 C \nATOM 2676 CD LYS A1026 -4.934 46.353 13.228 1.00 -0.05 C \nATOM 2677 CE LYS A1026 -4.854 45.114 12.335 1.00 -0.01 C \nATOM 2678 NZ LYS A1026 -4.255 45.345 10.993 1.00 -0.39 N \nATOM 2679 HA LYS A1026 -4.905 49.097 14.099 1.00 0.14 H \nATOM 2680 HB2 LYS A1026 -2.884 47.511 15.746 1.00 0.04 H \nATOM 2681 HB3 LYS A1026 -4.649 47.180 15.727 1.00 0.04 H \nATOM 2682 HG2 LYS A1026 -2.935 47.138 13.223 1.00 0.01 H \nATOM 2683 HG3 LYS A1026 -3.174 45.701 14.273 1.00 0.01 H \nATOM 2684 HD2 LYS A1026 -5.713 46.191 13.988 1.00 0.06 H \nATOM 2685 HD3 LYS A1026 -5.204 47.219 12.606 1.00 0.06 H \nATOM 2686 HE2 LYS A1026 -4.247 44.358 12.854 1.00 0.11 H \nATOM 2687 HE3 LYS A1026 -5.875 44.730 12.192 1.00 0.11 H \nATOM 2688 HZ1 LYS A1026 -3.316 45.695 11.100 1.00 0.34 H \nATOM 2689 HZ2 LYS A1026 -4.234 44.477 10.480 1.00 0.34 H \nATOM 2690 HZ3 LYS A1026 -4.809 46.020 10.489 1.00 0.34 H \nATOM 2691 H LYS A1026 -2.132 49.897 14.824 1.00 0.27 H \nATOM 2692 N ALA A1027 -5.751 49.789 16.383 1.00 -0.42 N \nATOM 2693 CA ALA A1027 -6.244 50.390 17.618 1.00 0.03 C \nATOM 2694 C ALA A1027 -6.045 49.402 18.766 1.00 0.60 C \nATOM 2695 O ALA A1027 -6.296 48.210 18.613 1.00 -0.57 O \nATOM 2696 CB ALA A1027 -7.719 50.761 17.491 1.00 -0.18 C \nATOM 2697 HA ALA A1027 -5.667 51.303 17.826 1.00 0.08 H \nATOM 2698 HB1 ALA A1027 -8.066 51.211 18.433 1.00 0.06 H \nATOM 2699 HB2 ALA A1027 -7.846 51.483 16.671 1.00 0.06 H \nATOM 2700 HB3 ALA A1027 -8.308 49.856 17.278 1.00 0.06 H \nATOM 2701 H ALA A1027 -6.404 49.385 15.743 1.00 0.27 H \nATOM 2702 N ILE A1028 -5.564 49.894 19.903 1.00 -0.42 N \nATOM 2703 CA ILE A1028 -5.606 49.119 21.138 1.00 -0.06 C \nATOM 2704 C ILE A1028 -6.932 49.415 21.840 1.00 0.60 C \nATOM 2705 O ILE A1028 -7.297 50.578 22.044 1.00 -0.57 O \nATOM 2706 CB ILE A1028 -4.478 49.472 22.104 1.00 0.13 C \nATOM 2707 CG1 ILE A1028 -3.116 49.185 21.469 1.00 -0.04 C \nATOM 2708 CG2 ILE A1028 -4.632 48.669 23.384 1.00 -0.32 C \nATOM 2709 CD1 ILE A1028 -1.960 49.432 22.409 1.00 -0.07 C \nATOM 2710 HA ILE A1028 -5.543 48.049 20.890 1.00 0.09 H \nATOM 2711 HB ILE A1028 -4.538 50.544 22.344 1.00 0.02 H \nATOM 2712 HG12 ILE A1028 -3.092 48.131 21.154 1.00 0.02 H \nATOM 2713 HG13 ILE A1028 -2.996 49.834 20.589 1.00 0.02 H \nATOM 2714 HD11 ILE A1028 -2.065 48.790 23.296 1.00 0.02 H \nATOM 2715 HD12 ILE A1028 -1.015 49.198 21.897 1.00 0.02 H \nATOM 2716 HD13 ILE A1028 -1.958 50.488 22.718 1.00 0.02 H \nATOM 2717 HG21 ILE A1028 -4.600 47.595 23.149 1.00 0.09 H \nATOM 2718 HG22 ILE A1028 -3.812 48.918 24.074 1.00 0.09 H \nATOM 2719 HG23 ILE A1028 -5.595 48.913 23.856 1.00 0.09 H \nATOM 2720 H ILE A1028 -5.166 50.811 19.912 1.00 0.27 H \nATOM 2721 N GLU A1029 -7.641 48.357 22.213 1.00 -0.52 N \nATOM 2722 CA GLU A1029 -8.952 48.477 22.847 1.00 0.04 C \nATOM 2723 C GLU A1029 -8.857 49.280 24.154 1.00 0.54 C \nATOM 2724 O GLU A1029 -7.881 49.155 24.901 1.00 -0.58 O \nATOM 2725 CB GLU A1029 -9.510 47.075 23.109 1.00 0.06 C \nATOM 2726 CG GLU A1029 -10.978 47.016 23.502 1.00 0.01 C \nATOM 2727 CD GLU A1029 -11.440 45.593 23.771 1.00 0.81 C \nATOM 2728 OE1 GLU A1029 -12.123 45.366 24.793 1.00 -0.82 O \nATOM 2729 OE2 GLU A1029 -11.105 44.694 22.971 1.00 -0.82 O \nATOM 2730 HA GLU A1029 -9.630 49.006 22.162 1.00 0.11 H \nATOM 2731 HB2 GLU A1029 -9.381 46.482 22.191 1.00 -0.02 H \nATOM 2732 HB3 GLU A1029 -8.923 46.624 23.923 1.00 -0.02 H \nATOM 2733 HG2 GLU A1029 -11.126 47.615 24.412 1.00 -0.04 H \nATOM 2734 HG3 GLU A1029 -11.582 47.436 22.684 1.00 -0.04 H \nATOM 2735 H GLU A1029 -7.264 47.444 22.054 1.00 0.29 H \nATOM 2736 N THR A1030 -9.858 50.121 24.410 1.00 -0.42 N \nATOM 2737 CA THR A1030 -9.937 50.878 25.659 1.00 -0.04 C \nATOM 2738 C THR A1030 -9.819 49.908 26.829 1.00 0.60 C \nATOM 2739 O THR A1030 -10.349 48.795 26.777 1.00 -0.57 O \nATOM 2740 CB THR A1030 -11.248 51.695 25.762 1.00 0.37 C \nATOM 2741 OG1 THR A1030 -11.174 52.833 24.893 1.00 -0.68 O \nATOM 2742 CG2 THR A1030 -11.491 52.188 27.178 1.00 -0.24 C \nATOM 2743 HA THR A1030 -9.092 51.581 25.695 1.00 0.10 H \nATOM 2744 HB THR A1030 -12.089 51.055 25.456 1.00 0.00 H \nATOM 2745 HG1 THR A1030 -11.979 53.333 24.957 1.00 0.41 H \nATOM 2746 HG23 THR A1030 -12.199 51.515 27.684 1.00 0.06 H \nATOM 2747 HG21 THR A1030 -10.540 52.201 27.730 1.00 0.06 H \nATOM 2748 HG22 THR A1030 -11.910 53.204 27.145 1.00 0.06 H \nATOM 2749 H THR A1030 -10.578 50.238 23.726 1.00 0.27 H \nATOM 2750 N ASP A1031 -9.073 50.328 27.851 1.00 -0.52 N \nATOM 2751 CA ASP A1031 -8.814 49.532 29.056 1.00 0.04 C \nATOM 2752 C ASP A1031 -7.855 48.355 28.832 1.00 0.54 C \nATOM 2753 O ASP A1031 -7.272 47.862 29.801 1.00 -0.58 O \nATOM 2754 CB ASP A1031 -10.127 49.063 29.715 1.00 -0.03 C \nATOM 2755 CG ASP A1031 -11.016 50.228 30.155 1.00 0.80 C \nATOM 2756 OD1 ASP A1031 -10.481 51.260 30.620 1.00 -0.80 O \nATOM 2757 OD2 ASP A1031 -12.256 50.106 30.050 1.00 -0.80 O \nATOM 2758 HA ASP A1031 -8.319 50.205 29.772 1.00 0.09 H \nATOM 2759 HB2 ASP A1031 -10.684 48.449 28.992 1.00 -0.01 H \nATOM 2760 HB3 ASP A1031 -9.880 48.456 30.598 1.00 -0.01 H \nATOM 2761 H ASP A1031 -8.666 51.240 27.793 1.00 0.29 H \nATOM 2762 N LYS A1032 -7.678 47.914 27.580 1.00 -0.35 N \nATOM 2763 CA LYS A1032 -6.700 46.861 27.256 1.00 -0.24 C \nATOM 2764 C LYS A1032 -5.320 47.461 26.983 1.00 0.73 C \nATOM 2765 O LYS A1032 -5.168 48.681 26.833 1.00 -0.59 O \nATOM 2766 CB LYS A1032 -7.160 46.002 26.070 1.00 -0.01 C \nATOM 2767 CG LYS A1032 -8.576 45.443 26.191 1.00 0.02 C \nATOM 2768 CD LYS A1032 -8.943 45.040 27.614 1.00 -0.05 C \nATOM 2769 CE LYS A1032 -10.179 44.155 27.639 1.00 -0.01 C \nATOM 2770 NZ LYS A1032 -9.918 42.820 27.034 1.00 -0.39 N \nATOM 2771 HA LYS A1032 -6.615 46.203 28.133 1.00 0.14 H \nATOM 2772 HB2 LYS A1032 -7.113 46.621 25.162 1.00 0.04 H \nATOM 2773 HB3 LYS A1032 -6.465 45.155 25.972 1.00 0.04 H \nATOM 2774 HG2 LYS A1032 -9.286 46.212 25.851 1.00 0.01 H \nATOM 2775 HG3 LYS A1032 -8.658 44.557 25.545 1.00 0.01 H \nATOM 2776 HD2 LYS A1032 -8.100 44.490 28.059 1.00 0.06 H \nATOM 2777 HD3 LYS A1032 -9.141 45.948 28.203 1.00 0.06 H \nATOM 2778 HE2 LYS A1032 -10.496 44.016 28.683 1.00 0.11 H \nATOM 2779 HE3 LYS A1032 -10.983 44.650 27.074 1.00 0.11 H \nATOM 2780 HZ1 LYS A1032 -9.180 42.359 27.543 1.00 0.34 H \nATOM 2781 HZ2 LYS A1032 -10.756 42.261 27.078 1.00 0.34 H \nATOM 2782 HZ3 LYS A1032 -9.641 42.936 26.072 1.00 0.34 H \nATOM 2783 H LYS A1032 -8.226 48.311 26.844 1.00 0.27 H \nATOM 2784 N GLU A1033 -4.310 46.600 26.934 1.00 -0.52 N \nATOM 2785 CA GLU A1033 -2.932 47.078 26.877 1.00 0.04 C \nATOM 2786 C GLU A1033 -2.192 46.709 25.602 1.00 0.54 C \nATOM 2787 O GLU A1033 -1.170 47.323 25.289 1.00 -0.58 O \nATOM 2788 CB GLU A1033 -2.156 46.584 28.095 1.00 0.06 C \nATOM 2789 CG GLU A1033 -1.439 47.708 28.823 1.00 0.01 C \nATOM 2790 CD GLU A1033 -0.527 47.205 29.918 1.00 0.81 C \nATOM 2791 OE1 GLU A1033 0.697 47.440 29.831 1.00 -0.82 O \nATOM 2792 OE2 GLU A1033 -1.035 46.567 30.864 1.00 -0.82 O \nATOM 2793 HA GLU A1033 -2.969 48.176 26.922 1.00 0.11 H \nATOM 2794 HB2 GLU A1033 -2.860 46.105 28.791 1.00 -0.02 H \nATOM 2795 HB3 GLU A1033 -1.410 45.847 27.763 1.00 -0.02 H \nATOM 2796 HG2 GLU A1033 -0.837 48.271 28.095 1.00 -0.04 H \nATOM 2797 HG3 GLU A1033 -2.192 48.374 29.270 1.00 -0.04 H \nATOM 2798 H GLU A1033 -4.495 45.617 26.936 1.00 0.29 H \nHETATM 2799 N PTR A1034 -2.692 45.715 24.873 1.00 0.00 N \nHETATM 2800 CA PTR A1034 -2.055 45.293 23.637 1.00 0.00 C \nHETATM 2801 C PTR A1034 -3.076 44.875 22.629 1.00 0.00 C \nHETATM 2802 O PTR A1034 -4.252 44.717 22.955 1.00 0.00 O \nHETATM 2803 CB PTR A1034 -1.064 44.161 23.908 1.00 0.00 C \nHETATM 2804 CG PTR A1034 -1.697 42.895 24.439 1.00 0.00 C \nHETATM 2805 CD2 PTR A1034 -2.284 41.989 23.565 1.00 0.00 C \nHETATM 2806 CE2 PTR A1034 -2.855 40.818 24.053 1.00 0.00 C \nHETATM 2807 CZ PTR A1034 -2.836 40.533 25.414 1.00 0.00 C \nHETATM 2808 OH PTR A1034 -3.411 39.351 25.827 1.00 0.00 O \nHETATM 2809 P PTR A1034 -4.069 39.101 27.276 1.00 0.00 P \nHETATM 2810 O3P PTR A1034 -2.874 39.064 28.203 1.00 0.00 O \nHETATM 2811 O2P PTR A1034 -5.008 40.264 27.516 1.00 0.00 O \nHETATM 2812 O1P PTR A1034 -4.769 37.778 27.081 1.00 0.00 O \nHETATM 2813 CE1 PTR A1034 -2.227 41.437 26.291 1.00 0.00 C \nHETATM 2814 CD1 PTR A1034 -1.660 42.615 25.802 1.00 0.00 C \nHETATM 2815 N PTR A1035 -2.616 44.708 21.392 1.00 0.00 N \nHETATM 2816 CA PTR A1035 -3.425 44.197 20.293 1.00 0.00 C \nHETATM 2817 C PTR A1035 -2.776 42.908 19.918 1.00 0.00 C \nHETATM 2818 O PTR A1035 -1.552 42.832 19.889 1.00 0.00 O \nHETATM 2819 CB PTR A1035 -3.386 45.175 19.119 1.00 0.00 C \nHETATM 2820 CG PTR A1035 -4.007 44.598 17.867 1.00 0.00 C \nHETATM 2821 CD2 PTR A1035 -5.381 44.649 17.676 1.00 0.00 C \nHETATM 2822 CE2 PTR A1035 -5.949 44.122 16.515 1.00 0.00 C \nHETATM 2823 CZ PTR A1035 -5.143 43.548 15.525 1.00 0.00 C \nHETATM 2824 OH PTR A1035 -5.637 43.004 14.354 1.00 0.00 O \nHETATM 2825 P PTR A1035 -7.188 42.942 13.884 1.00 0.00 P \nHETATM 2826 O3P PTR A1035 -7.648 44.383 13.799 1.00 0.00 O \nHETATM 2827 O2P PTR A1035 -7.862 42.143 14.967 1.00 0.00 O \nHETATM 2828 O1P PTR A1035 -7.118 42.241 12.545 1.00 0.00 O \nHETATM 2829 CE1 PTR A1035 -3.764 43.510 15.724 1.00 0.00 C \nHETATM 2830 CD1 PTR A1035 -3.201 44.035 16.884 1.00 0.00 C \nATOM 2831 N THR A1036 -3.578 41.879 19.654 1.00 -0.42 N \nATOM 2832 CA THR A1036 -3.058 40.579 19.251 1.00 -0.04 C \nATOM 2833 C THR A1036 -3.165 40.411 17.746 1.00 0.60 C \nATOM 2834 O THR A1036 -4.220 40.647 17.165 1.00 -0.57 O \nATOM 2835 CB THR A1036 -3.828 39.426 19.912 1.00 0.37 C \nATOM 2836 OG1 THR A1036 -4.016 39.707 21.301 1.00 -0.68 O \nATOM 2837 CG2 THR A1036 -3.066 38.127 19.751 1.00 -0.24 C \nATOM 2838 HA THR A1036 -2.001 40.519 19.548 1.00 0.10 H \nATOM 2839 HB THR A1036 -4.811 39.327 19.428 1.00 0.00 H \nATOM 2840 HG1 THR A1036 -4.492 38.992 21.707 1.00 0.41 H \nATOM 2841 HG23 THR A1036 -3.483 37.560 18.906 1.00 0.06 H \nATOM 2842 HG21 THR A1036 -2.005 38.346 19.558 1.00 0.06 H \nATOM 2843 HG22 THR A1036 -3.156 37.532 20.672 1.00 0.06 H \nATOM 2844 H THR A1036 -4.567 42.002 19.735 1.00 0.27 H \nATOM 2845 N VAL A1037 -2.077 39.955 17.133 1.00 -0.42 N \nATOM 2846 CA VAL A1037 -1.953 39.880 15.674 1.00 -0.09 C \nATOM 2847 C VAL A1037 -2.201 38.477 15.135 1.00 0.60 C \nATOM 2848 O VAL A1037 -1.932 37.485 15.814 1.00 -0.57 O \nATOM 2849 CB VAL A1037 -0.558 40.378 15.230 1.00 0.30 C \nATOM 2850 CG1 VAL A1037 -0.061 39.646 13.989 1.00 -0.32 C \nATOM 2851 CG2 VAL A1037 -0.607 41.879 14.997 1.00 -0.32 C \nATOM 2852 HA VAL A1037 -2.712 40.546 15.238 1.00 0.10 H \nATOM 2853 HB VAL A1037 0.153 40.178 16.046 1.00 -0.03 H \nATOM 2854 HG11 VAL A1037 -0.770 39.802 13.163 1.00 0.08 H \nATOM 2855 HG12 VAL A1037 0.926 40.037 13.703 1.00 0.08 H \nATOM 2856 HG13 VAL A1037 0.020 38.571 14.205 1.00 0.08 H \nATOM 2857 HG21 VAL A1037 -0.908 42.385 15.926 1.00 0.08 H \nATOM 2858 HG22 VAL A1037 0.388 42.235 14.691 1.00 0.08 H \nATOM 2859 HG23 VAL A1037 -1.336 42.103 14.205 1.00 0.08 H \nATOM 2860 H VAL A1037 -1.307 39.649 17.693 1.00 0.27 H \nATOM 2861 N LYS A1038 -2.709 38.413 13.905 1.00 -0.35 N \nATOM 2862 CA LYS A1038 -3.035 37.151 13.249 1.00 -0.24 C \nATOM 2863 C LYS A1038 -2.197 36.976 11.986 1.00 0.73 C \nATOM 2864 O LYS A1038 -1.421 36.028 11.891 1.00 -0.59 O \nATOM 2865 CB LYS A1038 -4.530 37.089 12.933 1.00 -0.01 C \nATOM 2866 CG LYS A1038 -5.403 37.374 14.144 1.00 0.02 C \nATOM 2867 CD LYS A1038 -6.872 37.113 13.870 1.00 -0.05 C \nATOM 2868 CE LYS A1038 -7.705 37.406 15.109 1.00 -0.01 C \nATOM 2869 NZ LYS A1038 -9.109 36.933 14.978 1.00 -0.39 N \nATOM 2870 HA LYS A1038 -2.794 36.329 13.939 1.00 0.14 H \nATOM 2871 HB2 LYS A1038 -4.755 37.833 12.155 1.00 0.04 H \nATOM 2872 HB3 LYS A1038 -4.768 36.083 12.558 1.00 0.04 H \nATOM 2873 HG2 LYS A1038 -5.078 36.729 14.974 1.00 0.01 H \nATOM 2874 HG3 LYS A1038 -5.279 38.429 14.429 1.00 0.01 H \nATOM 2875 HD2 LYS A1038 -7.207 37.761 13.047 1.00 0.06 H \nATOM 2876 HD3 LYS A1038 -7.005 36.059 13.585 1.00 0.06 H \nATOM 2877 HE2 LYS A1038 -7.243 36.904 15.971 1.00 0.11 H \nATOM 2878 HE3 LYS A1038 -7.714 38.493 15.279 1.00 0.11 H \nATOM 2879 HZ1 LYS A1038 -9.115 35.938 14.820 1.00 0.34 H \nATOM 2880 HZ2 LYS A1038 -9.614 37.141 15.825 1.00 0.34 H \nATOM 2881 HZ3 LYS A1038 -9.550 37.399 14.201 1.00 0.34 H \nATOM 2882 H LYS A1038 -2.874 39.266 13.410 1.00 0.27 H \nATOM 2883 N ASP A1039 -2.347 37.885 11.024 1.00 -0.52 N \nATOM 2884 CA ASP A1039 -1.466 37.907 9.861 1.00 0.04 C \nATOM 2885 C ASP A1039 -0.104 38.420 10.316 1.00 0.54 C \nATOM 2886 O ASP A1039 0.009 39.544 10.808 1.00 -0.58 O \nATOM 2887 CB ASP A1039 -2.030 38.790 8.744 1.00 -0.03 C \nATOM 2888 CG ASP A1039 -1.160 38.782 7.487 1.00 0.80 C \nATOM 2889 OD1 ASP A1039 -1.686 38.438 6.407 1.00 -0.80 O \nATOM 2890 OD2 ASP A1039 0.043 39.118 7.574 1.00 -0.80 O \nATOM 2891 HA ASP A1039 -1.357 36.883 9.474 1.00 0.09 H \nATOM 2892 HB2 ASP A1039 -3.033 38.425 8.480 1.00 -0.01 H \nATOM 2893 HB3 ASP A1039 -2.102 39.823 9.115 1.00 -0.01 H \nATOM 2894 H ASP A1039 -3.077 38.565 11.100 1.00 0.29 H \nATOM 2895 N ASP A1040 0.914 37.574 10.164 1.00 -0.52 N \nATOM 2896 CA ASP A1040 2.281 37.895 10.572 1.00 0.04 C \nATOM 2897 C ASP A1040 3.336 37.421 9.558 1.00 0.54 C \nATOM 2898 O ASP A1040 4.539 37.490 9.821 1.00 -0.58 O \nATOM 2899 CB ASP A1040 2.550 37.291 11.954 1.00 -0.03 C \nATOM 2900 CG ASP A1040 2.295 35.780 12.003 1.00 0.80 C \nATOM 2901 OD1 ASP A1040 2.102 35.161 10.929 1.00 -0.80 O \nATOM 2902 OD2 ASP A1040 2.292 35.212 13.117 1.00 -0.80 O \nATOM 2903 HA ASP A1040 2.362 38.989 10.650 1.00 0.09 H \nATOM 2904 HB2 ASP A1040 3.600 37.479 12.221 1.00 -0.01 H \nATOM 2905 HB3 ASP A1040 1.892 37.782 12.686 1.00 -0.01 H \nATOM 2906 H ASP A1040 0.735 36.680 9.753 1.00 0.29 H \nATOM 2907 N ARG A1041 2.874 36.980 8.392 1.00 -0.35 N \nATOM 2908 CA ARG A1041 3.722 36.362 7.381 1.00 -0.26 C \nATOM 2909 C ARG A1041 4.822 37.306 6.900 1.00 0.73 C \nATOM 2910 O ARG A1041 5.909 36.861 6.535 1.00 -0.59 O \nATOM 2911 CB ARG A1041 2.864 35.929 6.188 1.00 -0.00 C \nATOM 2912 CG ARG A1041 3.451 34.810 5.335 1.00 0.04 C \nATOM 2913 CD ARG A1041 2.759 34.695 3.980 1.00 0.05 C \nATOM 2914 NE ARG A1041 1.353 35.105 4.023 1.00 -0.53 N \nATOM 2915 CZ ARG A1041 0.562 35.202 2.957 1.00 0.81 C \nATOM 2916 NH1 ARG A1041 1.007 34.886 1.746 1.00 -0.86 N \nATOM 2917 NH2 ARG A1041 -0.697 35.599 3.110 1.00 -0.86 N \nATOM 2918 HA ARG A1041 4.196 35.472 7.822 1.00 0.16 H \nATOM 2919 HB2 ARG A1041 1.892 35.588 6.574 1.00 0.03 H \nATOM 2920 HB3 ARG A1041 2.714 36.806 5.541 1.00 0.03 H \nATOM 2921 HG2 ARG A1041 4.520 35.013 5.171 1.00 0.03 H \nATOM 2922 HG3 ARG A1041 3.337 33.857 5.873 1.00 0.03 H \nATOM 2923 HD2 ARG A1041 3.290 35.334 3.259 1.00 0.07 H \nATOM 2924 HD3 ARG A1041 2.809 33.648 3.648 1.00 0.07 H \nATOM 2925 HE ARG A1041 0.949 35.334 4.942 1.00 0.35 H \nATOM 2926 HH12 ARG A1041 0.383 34.966 0.931 1.00 0.45 H \nATOM 2927 HH11 ARG A1041 1.976 34.561 1.622 1.00 0.45 H \nATOM 2928 HH22 ARG A1041 -1.316 35.677 2.290 1.00 0.45 H \nATOM 2929 HH21 ARG A1041 -1.054 35.829 4.048 1.00 0.45 H \nATOM 2930 H ARG A1041 1.898 37.077 8.200 1.00 0.27 H \nATOM 2931 N ASP A1042 4.538 38.607 6.896 1.00 -0.52 N \nATOM 2932 CA ASP A1042 5.488 39.597 6.381 1.00 0.04 C \nATOM 2933 C ASP A1042 5.925 40.602 7.449 1.00 0.54 C \nATOM 2934 O ASP A1042 6.185 41.767 7.142 1.00 -0.58 O \nATOM 2935 CB ASP A1042 4.884 40.334 5.180 1.00 -0.03 C \nATOM 2936 CG ASP A1042 4.392 39.387 4.099 1.00 0.80 C \nATOM 2937 OD1 ASP A1042 5.179 38.516 3.667 1.00 -0.80 O \nATOM 2938 OD2 ASP A1042 3.221 39.521 3.672 1.00 -0.80 O \nATOM 2939 HA ASP A1042 6.384 39.058 6.040 1.00 0.09 H \nATOM 2940 HB2 ASP A1042 4.036 40.941 5.529 1.00 -0.01 H \nATOM 2941 HB3 ASP A1042 5.652 40.992 4.748 1.00 -0.01 H \nATOM 2942 H ASP A1042 3.656 38.916 7.253 1.00 0.29 H \nATOM 2943 N SER A1043 6.024 40.143 8.693 1.00 -0.42 N \nATOM 2944 CA SER A1043 6.535 40.969 9.786 1.00 -0.02 C \nATOM 2945 C SER A1043 8.006 41.378 9.574 1.00 0.60 C \nATOM 2946 O SER A1043 8.821 40.571 9.107 1.00 -0.57 O \nATOM 2947 CB SER A1043 6.414 40.217 11.107 1.00 0.21 C \nATOM 2948 OG SER A1043 5.076 39.845 11.355 1.00 -0.65 O \nATOM 2949 HA SER A1043 5.925 41.883 9.840 1.00 0.08 H \nATOM 2950 HB2 SER A1043 7.037 39.312 11.064 1.00 0.04 H \nATOM 2951 HB3 SER A1043 6.765 40.865 11.924 1.00 0.04 H \nATOM 2952 HG SER A1043 5.025 39.379 12.181 1.00 0.43 H \nATOM 2953 H SER A1043 5.740 39.204 8.887 1.00 0.27 H \nATOM 2954 N PRO A1044 8.347 42.638 9.917 1.00 -0.25 N \nATOM 2955 CA PRO A1044 9.734 43.092 9.917 1.00 -0.03 C \nATOM 2956 C PRO A1044 10.384 42.613 11.197 1.00 0.59 C \nATOM 2957 O PRO A1044 10.569 43.385 12.133 1.00 -0.57 O \nATOM 2958 CB PRO A1044 9.588 44.619 9.889 1.00 -0.01 C \nATOM 2959 CG PRO A1044 8.332 44.873 10.658 1.00 0.02 C \nATOM 2960 CD PRO A1044 7.422 43.715 10.331 1.00 0.02 C \nATOM 2961 HA PRO A1044 10.292 42.725 9.043 1.00 0.06 H \nATOM 2962 HD3 PRO A1044 6.735 43.977 9.513 1.00 0.04 H \nATOM 2963 HD2 PRO A1044 6.841 43.413 11.215 1.00 0.04 H \nATOM 2964 HG3 PRO A1044 7.874 45.823 10.345 1.00 0.02 H \nATOM 2965 HG2 PRO A1044 8.541 44.905 11.737 1.00 0.02 H \nATOM 2966 HB2 PRO A1044 10.449 45.104 10.373 1.00 0.03 H \nATOM 2967 HB3 PRO A1044 9.495 44.985 8.856 1.00 0.03 H \nATOM 2968 N VAL A1045 10.703 41.324 11.247 1.00 -0.42 N \nATOM 2969 CA VAL A1045 11.107 40.699 12.497 1.00 -0.09 C \nATOM 2970 C VAL A1045 12.337 41.332 13.167 1.00 0.60 C \nATOM 2971 O VAL A1045 12.426 41.326 14.384 1.00 -0.57 O \nATOM 2972 CB VAL A1045 11.336 39.179 12.317 1.00 0.30 C \nATOM 2973 CG1 VAL A1045 10.025 38.487 11.955 1.00 -0.32 C \nATOM 2974 CG2 VAL A1045 12.381 38.915 11.253 1.00 -0.32 C \nATOM 2975 HA VAL A1045 10.266 40.826 13.194 1.00 0.10 H \nATOM 2976 HB VAL A1045 11.698 38.766 13.270 1.00 -0.03 H \nATOM 2977 HG11 VAL A1045 9.631 38.913 11.020 1.00 0.08 H \nATOM 2978 HG12 VAL A1045 10.204 37.410 11.820 1.00 0.08 H \nATOM 2979 HG13 VAL A1045 9.295 38.639 12.764 1.00 0.08 H \nATOM 2980 HG21 VAL A1045 13.328 39.393 11.543 1.00 0.08 H \nATOM 2981 HG22 VAL A1045 12.534 37.831 11.150 1.00 0.08 H \nATOM 2982 HG23 VAL A1045 12.040 39.330 10.293 1.00 0.08 H \nATOM 2983 H VAL A1045 10.665 40.775 10.412 1.00 0.27 H \nATOM 2984 N PHE A1046 13.270 41.875 12.397 1.00 -0.42 N \nATOM 2985 CA PHE A1046 14.480 42.470 12.993 1.00 -0.00 C \nATOM 2986 C PHE A1046 14.229 43.832 13.664 1.00 0.60 C \nATOM 2987 O PHE A1046 15.122 44.387 14.300 1.00 -0.57 O \nATOM 2988 CB PHE A1046 15.614 42.522 11.967 1.00 -0.03 C \nATOM 2989 CG PHE A1046 15.986 41.165 11.430 1.00 0.01 C \nATOM 2990 CD1 PHE A1046 16.534 40.207 12.266 1.00 -0.13 C \nATOM 2991 CD2 PHE A1046 15.758 40.836 10.101 1.00 -0.13 C \nATOM 2992 CE1 PHE A1046 16.860 38.949 11.789 1.00 -0.17 C \nATOM 2993 CE2 PHE A1046 16.084 39.577 9.616 1.00 -0.17 C \nATOM 2994 CZ PHE A1046 16.636 38.636 10.464 1.00 -0.11 C \nATOM 2995 HA PHE A1046 14.805 41.788 13.793 1.00 0.10 H \nATOM 2996 HB2 PHE A1046 15.297 43.157 11.126 1.00 0.03 H \nATOM 2997 HB3 PHE A1046 16.500 42.964 12.446 1.00 0.03 H \nATOM 2998 HD2 PHE A1046 15.320 41.570 9.434 1.00 0.13 H \nATOM 2999 HE2 PHE A1046 15.906 39.333 8.575 1.00 0.14 H \nATOM 3000 HZ PHE A1046 16.893 37.652 10.088 1.00 0.13 H \nATOM 3001 HE1 PHE A1046 17.291 38.211 12.456 1.00 0.14 H \nATOM 3002 HD1 PHE A1046 16.710 40.445 13.309 1.00 0.13 H \nATOM 3003 H PHE A1046 13.152 41.881 11.404 1.00 0.27 H \nATOM 3004 N TRP A1047 13.000 44.332 13.535 1.00 -0.42 N \nATOM 3005 CA TRP A1047 12.523 45.522 14.237 1.00 -0.03 C \nATOM 3006 C TRP A1047 11.600 45.206 15.390 1.00 0.60 C \nATOM 3007 O TRP A1047 11.219 46.113 16.137 1.00 -0.57 O \nATOM 3008 CB TRP A1047 11.812 46.441 13.247 1.00 -0.01 C \nATOM 3009 CG TRP A1047 12.758 47.258 12.402 1.00 -0.14 C \nATOM 3010 CD1 TRP A1047 13.019 48.620 12.511 1.00 -0.16 C \nATOM 3011 CD2 TRP A1047 13.580 46.805 11.268 1.00 0.12 C \nATOM 3012 NE1 TRP A1047 13.914 49.023 11.558 1.00 -0.34 N \nATOM 3013 CE2 TRP A1047 14.301 47.985 10.788 1.00 0.14 C \nATOM 3014 CE3 TRP A1047 13.808 45.580 10.649 1.00 -0.24 C \nATOM 3015 CZ2 TRP A1047 15.184 47.922 9.721 1.00 -0.26 C \nATOM 3016 CZ3 TRP A1047 14.704 45.526 9.576 1.00 -0.20 C \nATOM 3017 CH2 TRP A1047 15.374 46.670 9.122 1.00 -0.11 C \nATOM 3018 HA TRP A1047 13.399 46.051 14.641 1.00 0.11 H \nATOM 3019 HB2 TRP A1047 11.194 45.823 12.580 1.00 0.03 H \nATOM 3020 HB3 TRP A1047 11.166 47.129 13.812 1.00 0.03 H \nATOM 3021 HE1 TRP A1047 14.248 49.991 11.444 1.00 0.34 H \nATOM 3022 HD1 TRP A1047 12.571 49.277 13.255 1.00 0.21 H \nATOM 3023 HZ2 TRP A1047 15.705 48.804 9.366 1.00 0.16 H \nATOM 3024 HH2 TRP A1047 16.057 46.584 8.285 1.00 0.14 H \nATOM 3025 HZ3 TRP A1047 14.884 44.577 9.084 1.00 0.14 H \nATOM 3026 HE3 TRP A1047 13.301 44.685 10.991 1.00 0.17 H \nATOM 3027 H TRP A1047 12.365 43.864 12.920 1.00 0.27 H \nATOM 3028 N TYR A1048 11.268 43.925 15.594 1.00 -0.42 N \nATOM 3029 CA TYR A1048 10.212 43.548 16.548 1.00 -0.00 C \nATOM 3030 C TYR A1048 10.693 43.136 17.921 1.00 0.60 C \nATOM 3031 O TYR A1048 11.681 42.409 18.080 1.00 -0.57 O \nATOM 3032 CB TYR A1048 9.334 42.430 15.973 1.00 -0.02 C \nATOM 3033 CG TYR A1048 8.147 42.899 15.151 1.00 -0.00 C \nATOM 3034 CD1 TYR A1048 8.034 44.216 14.717 1.00 -0.19 C \nATOM 3035 CD2 TYR A1048 7.149 42.000 14.774 1.00 -0.19 C \nATOM 3036 CE1 TYR A1048 6.953 44.629 13.957 1.00 -0.23 C \nATOM 3037 CE2 TYR A1048 6.073 42.405 14.006 1.00 -0.23 C \nATOM 3038 CZ TYR A1048 5.974 43.727 13.614 1.00 0.32 C \nATOM 3039 OH TYR A1048 4.910 44.135 12.858 1.00 -0.56 O \nATOM 3040 HA TYR A1048 9.580 44.438 16.684 1.00 0.09 H \nATOM 3041 HB3 TYR A1048 9.965 41.798 15.330 1.00 0.03 H \nATOM 3042 HB2 TYR A1048 8.951 41.832 16.813 1.00 0.03 H \nATOM 3043 HD2 TYR A1048 7.218 40.965 15.089 1.00 0.17 H \nATOM 3044 HE2 TYR A1048 5.312 41.691 13.713 1.00 0.17 H \nATOM 3045 HE1 TYR A1048 6.879 45.661 13.633 1.00 0.17 H \nATOM 3046 HD1 TYR A1048 8.806 44.931 14.978 1.00 0.17 H \nATOM 3047 HH TYR A1048 4.990 45.063 12.674 1.00 0.40 H \nATOM 3048 H TYR A1048 11.748 43.209 15.087 1.00 0.27 H \nATOM 3049 N ALA A1049 9.949 43.599 18.912 1.00 -0.42 N \nATOM 3050 CA ALA A1049 10.186 43.247 20.288 1.00 0.03 C \nATOM 3051 C ALA A1049 9.882 41.751 20.513 1.00 0.60 C \nATOM 3052 O ALA A1049 9.176 41.126 19.708 1.00 -0.57 O \nATOM 3053 CB ALA A1049 9.323 44.108 21.184 1.00 -0.18 C \nATOM 3054 HA ALA A1049 11.243 43.432 20.528 1.00 0.08 H \nATOM 3055 HB1 ALA A1049 9.504 43.839 22.235 1.00 0.06 H \nATOM 3056 HB2 ALA A1049 9.575 45.167 21.028 1.00 0.06 H \nATOM 3057 HB3 ALA A1049 8.263 43.943 20.940 1.00 0.06 H \nATOM 3058 H ALA A1049 9.193 44.217 18.697 1.00 0.27 H \nATOM 3059 N PRO A1050 10.438 41.171 21.591 1.00 -0.25 N \nATOM 3060 CA PRO A1050 10.231 39.756 21.902 1.00 -0.03 C \nATOM 3061 C PRO A1050 8.762 39.357 22.054 1.00 0.59 C \nATOM 3062 O PRO A1050 8.365 38.344 21.503 1.00 -0.57 O \nATOM 3063 CB PRO A1050 10.968 39.579 23.230 1.00 -0.01 C \nATOM 3064 CG PRO A1050 12.036 40.614 23.206 1.00 0.02 C \nATOM 3065 CD PRO A1050 11.439 41.785 22.485 1.00 0.02 C \nATOM 3066 HA PRO A1050 10.684 39.130 21.119 1.00 0.06 H \nATOM 3067 HD3 PRO A1050 12.205 42.322 21.906 1.00 0.04 H \nATOM 3068 HD2 PRO A1050 10.961 42.479 23.192 1.00 0.04 H \nATOM 3069 HG3 PRO A1050 12.921 40.242 22.669 1.00 0.02 H \nATOM 3070 HG2 PRO A1050 12.321 40.897 24.230 1.00 0.02 H \nATOM 3071 HB2 PRO A1050 10.286 39.744 24.078 1.00 0.03 H \nATOM 3072 HB3 PRO A1050 11.405 38.572 23.301 1.00 0.03 H \nATOM 3073 N GLU A1051 7.968 40.142 22.783 1.00 -0.52 N \nATOM 3074 CA GLU A1051 6.539 39.834 22.965 1.00 0.04 C \nATOM 3075 C GLU A1051 5.794 39.737 21.636 1.00 0.54 C \nATOM 3076 O GLU A1051 4.850 38.957 21.508 1.00 -0.58 O \nATOM 3077 CB GLU A1051 5.845 40.844 23.884 1.00 0.06 C \nATOM 3078 CG GLU A1051 5.696 42.257 23.329 1.00 0.01 C \nATOM 3079 CD GLU A1051 6.901 43.143 23.585 1.00 0.81 C \nATOM 3080 OE1 GLU A1051 8.006 42.623 23.904 1.00 -0.82 O \nATOM 3081 OE2 GLU A1051 6.734 44.378 23.482 1.00 -0.82 O \nATOM 3082 HA GLU A1051 6.480 38.849 23.450 1.00 0.11 H \nATOM 3083 HB2 GLU A1051 4.838 40.461 24.106 1.00 -0.02 H \nATOM 3084 HB3 GLU A1051 6.427 40.907 24.815 1.00 -0.02 H \nATOM 3085 HG2 GLU A1051 5.540 42.189 22.242 1.00 -0.04 H \nATOM 3086 HG3 GLU A1051 4.817 42.723 23.797 1.00 -0.04 H \nATOM 3087 H GLU A1051 8.351 40.958 23.216 1.00 0.29 H \nATOM 3088 N CYS A1052 6.216 40.534 20.654 1.00 -0.42 N \nATOM 3089 CA CYS A1052 5.636 40.480 19.316 1.00 0.02 C \nATOM 3090 C CYS A1052 6.062 39.214 18.609 1.00 0.60 C \nATOM 3091 O CYS A1052 5.259 38.562 17.949 1.00 -0.57 O \nATOM 3092 CB CYS A1052 6.085 41.668 18.466 1.00 -0.12 C \nATOM 3093 SG CYS A1052 5.997 43.245 19.320 1.00 -0.31 S \nATOM 3094 HA CYS A1052 4.540 40.495 19.407 1.00 0.11 H \nATOM 3095 HB2 CYS A1052 7.127 41.499 18.157 1.00 0.11 H \nATOM 3096 HB3 CYS A1052 5.442 41.720 17.575 1.00 0.11 H \nATOM 3097 HG CYS A1052 6.306 43.979 18.703 1.00 0.19 H \nATOM 3098 H CYS A1052 6.950 41.187 20.839 1.00 0.27 H \nATOM 3099 N LEU A1053 7.346 38.890 18.726 1.00 -0.42 N \nATOM 3100 CA LEU A1053 7.896 37.716 18.069 1.00 -0.05 C \nATOM 3101 C LEU A1053 7.379 36.417 18.707 1.00 0.60 C \nATOM 3102 O LEU A1053 7.167 35.425 18.005 1.00 -0.57 O \nATOM 3103 CB LEU A1053 9.427 37.742 18.117 1.00 -0.11 C \nATOM 3104 CG LEU A1053 10.137 38.857 17.349 1.00 0.35 C \nATOM 3105 CD1 LEU A1053 11.598 38.934 17.763 1.00 -0.41 C \nATOM 3106 CD2 LEU A1053 10.026 38.656 15.849 1.00 -0.41 C \nATOM 3107 HA LEU A1053 7.579 37.733 17.016 1.00 0.09 H \nATOM 3108 HB2 LEU A1053 9.722 37.829 19.173 1.00 0.05 H \nATOM 3109 HB3 LEU A1053 9.786 36.784 17.714 1.00 0.05 H \nATOM 3110 HG LEU A1053 9.653 39.811 17.604 1.00 -0.04 H \nATOM 3111 HD21 LEU A1053 8.965 38.642 15.558 1.00 0.10 H \nATOM 3112 HD22 LEU A1053 10.538 39.480 15.330 1.00 0.10 H \nATOM 3113 HD23 LEU A1053 10.495 37.700 15.571 1.00 0.10 H \nATOM 3114 HD11 LEU A1053 12.090 37.973 17.554 1.00 0.10 H \nATOM 3115 HD12 LEU A1053 12.098 39.733 17.196 1.00 0.10 H \nATOM 3116 HD13 LEU A1053 11.663 39.153 18.839 1.00 0.10 H \nATOM 3117 H LEU A1053 7.947 39.467 19.279 1.00 0.27 H \nATOM 3118 N MET A1054 7.169 36.428 20.023 1.00 -0.42 N \nATOM 3119 CA MET A1054 6.867 35.196 20.746 1.00 -0.02 C \nATOM 3120 C MET A1054 5.364 34.966 20.872 1.00 0.60 C \nATOM 3121 O MET A1054 4.870 33.912 20.477 1.00 -0.57 O \nATOM 3122 CB MET A1054 7.539 35.214 22.120 1.00 0.03 C \nATOM 3123 CG MET A1054 9.057 35.242 22.037 1.00 0.00 C \nATOM 3124 SD MET A1054 9.887 35.238 23.632 1.00 -0.27 S \nATOM 3125 CE MET A1054 9.159 36.658 24.445 1.00 -0.05 C \nATOM 3126 HA MET A1054 7.287 34.356 20.173 1.00 0.09 H \nATOM 3127 HB2 MET A1054 7.201 36.108 22.664 1.00 0.02 H \nATOM 3128 HB3 MET A1054 7.234 34.312 22.671 1.00 0.02 H \nATOM 3129 HG2 MET A1054 9.387 34.356 21.475 1.00 0.04 H \nATOM 3130 HG3 MET A1054 9.355 36.152 21.496 1.00 0.04 H \nATOM 3131 HE1 MET A1054 8.070 36.520 24.518 1.00 0.07 H \nATOM 3132 HE2 MET A1054 9.584 36.761 25.454 1.00 0.07 H \nATOM 3133 HE3 MET A1054 9.375 37.565 23.862 1.00 0.07 H \nATOM 3134 H MET A1054 7.219 37.293 20.523 1.00 0.27 H \nATOM 3135 N GLN A1055 4.649 35.960 21.400 1.00 -0.42 N \nATOM 3136 CA GLN A1055 3.210 35.847 21.671 1.00 -0.00 C \nATOM 3137 C GLN A1055 2.315 36.580 20.665 1.00 0.60 C \nATOM 3138 O GLN A1055 1.095 36.461 20.739 1.00 -0.57 O \nATOM 3139 CB GLN A1055 2.896 36.381 23.069 1.00 -0.00 C \nATOM 3140 CG GLN A1055 3.641 35.683 24.194 1.00 -0.06 C \nATOM 3141 CD GLN A1055 3.417 36.359 25.535 1.00 0.70 C \nATOM 3142 OE1 GLN A1055 3.870 37.484 25.763 1.00 -0.61 O \nATOM 3143 NE2 GLN A1055 2.717 35.674 26.431 1.00 -0.94 N \nATOM 3144 HA GLN A1055 2.951 34.779 21.635 1.00 0.09 H \nATOM 3145 HB2 GLN A1055 3.157 37.449 23.095 1.00 0.02 H \nATOM 3146 HB3 GLN A1055 1.817 36.263 23.247 1.00 0.02 H \nATOM 3147 HG2 GLN A1055 3.291 34.642 24.259 1.00 0.04 H \nATOM 3148 HG3 GLN A1055 4.717 35.694 23.967 1.00 0.04 H \nATOM 3149 HE22 GLN A1055 2.537 36.068 27.332 1.00 0.43 H \nATOM 3150 HE21 GLN A1055 2.370 34.764 26.205 1.00 0.43 H \nATOM 3151 H GLN A1055 5.112 36.818 21.621 1.00 0.27 H \nATOM 3152 N SER A1056 2.910 37.345 19.751 1.00 -0.42 N \nATOM 3153 CA SER A1056 2.154 38.134 18.764 1.00 -0.02 C \nATOM 3154 C SER A1056 1.323 39.256 19.398 1.00 0.60 C \nATOM 3155 O SER A1056 0.331 39.699 18.817 1.00 -0.57 O \nATOM 3156 CB SER A1056 1.250 37.226 17.920 1.00 0.21 C \nATOM 3157 OG SER A1056 1.967 36.109 17.426 1.00 -0.65 O \nATOM 3158 HA SER A1056 2.886 38.605 18.091 1.00 0.08 H \nATOM 3159 HB2 SER A1056 0.416 36.871 18.543 1.00 0.04 H \nATOM 3160 HB3 SER A1056 0.854 37.803 17.071 1.00 0.04 H \nATOM 3161 HG SER A1056 1.386 35.564 16.908 1.00 0.43 H \nATOM 3162 H SER A1056 3.909 37.385 19.735 1.00 0.27 H \nATOM 3163 N LYS A1057 1.719 39.696 20.592 1.00 -0.35 N \nATOM 3164 CA LYS A1057 1.068 40.811 21.271 1.00 -0.24 C \nATOM 3165 C LYS A1057 1.835 42.107 20.977 1.00 0.73 C \nATOM 3166 O LYS A1057 3.067 42.106 20.939 1.00 -0.59 O \nATOM 3167 CB LYS A1057 1.017 40.559 22.773 1.00 -0.01 C \nATOM 3168 CG LYS A1057 0.243 39.306 23.173 1.00 0.02 C \nATOM 3169 CD LYS A1057 0.269 39.105 24.684 1.00 -0.05 C \nATOM 3170 CE LYS A1057 -0.593 37.927 25.124 1.00 -0.01 C \nATOM 3171 NZ LYS A1057 -0.798 37.911 26.601 1.00 -0.39 N \nATOM 3172 HA LYS A1057 0.040 40.909 20.892 1.00 0.14 H \nATOM 3173 HB2 LYS A1057 2.049 40.459 23.141 1.00 0.04 H \nATOM 3174 HB3 LYS A1057 0.540 41.427 23.252 1.00 0.04 H \nATOM 3175 HG2 LYS A1057 -0.801 39.407 22.842 1.00 0.01 H \nATOM 3176 HG3 LYS A1057 0.699 38.431 22.686 1.00 0.01 H \nATOM 3177 HD2 LYS A1057 1.307 38.922 24.999 1.00 0.06 H \nATOM 3178 HD3 LYS A1057 -0.105 40.018 25.169 1.00 0.06 H \nATOM 3179 HE2 LYS A1057 -1.573 37.999 24.629 1.00 0.11 H \nATOM 3180 HE3 LYS A1057 -0.098 36.992 24.823 1.00 0.11 H \nATOM 3181 HZ1 LYS A1057 -1.248 38.766 26.887 1.00 0.34 H \nATOM 3182 HZ2 LYS A1057 -1.379 37.126 26.851 1.00 0.34 H \nATOM 3183 HZ3 LYS A1057 0.094 37.830 27.063 1.00 0.34 H \nATOM 3184 H LYS A1057 2.491 39.245 21.039 1.00 0.27 H \nATOM 3185 N PHE A1058 1.101 43.199 20.763 1.00 -0.42 N \nATOM 3186 CA PHE A1058 1.689 44.503 20.434 1.00 -0.00 C \nATOM 3187 C PHE A1058 1.268 45.564 21.431 1.00 0.60 C \nATOM 3188 O PHE A1058 0.092 45.912 21.505 1.00 -0.57 O \nATOM 3189 CB PHE A1058 1.256 44.936 19.041 1.00 -0.03 C \nATOM 3190 CG PHE A1058 2.024 44.282 17.948 1.00 0.01 C \nATOM 3191 CD1 PHE A1058 1.589 43.082 17.400 1.00 -0.13 C \nATOM 3192 CD2 PHE A1058 3.195 44.849 17.476 1.00 -0.13 C \nATOM 3193 CE1 PHE A1058 2.303 42.464 16.391 1.00 -0.17 C \nATOM 3194 CE2 PHE A1058 3.910 44.243 16.464 1.00 -0.17 C \nATOM 3195 CZ PHE A1058 3.462 43.046 15.919 1.00 -0.11 C \nATOM 3196 HA PHE A1058 2.785 44.409 20.457 1.00 0.10 H \nATOM 3197 HB2 PHE A1058 0.192 44.688 18.915 1.00 0.03 H \nATOM 3198 HB3 PHE A1058 1.391 46.024 18.958 1.00 0.03 H \nATOM 3199 HD2 PHE A1058 3.553 45.778 17.905 1.00 0.13 H \nATOM 3200 HE2 PHE A1058 4.821 44.700 16.094 1.00 0.14 H \nATOM 3201 HZ PHE A1058 4.023 42.569 15.123 1.00 0.13 H \nATOM 3202 HE1 PHE A1058 1.954 41.527 15.972 1.00 0.14 H \nATOM 3203 HD1 PHE A1058 0.678 42.625 17.768 1.00 0.13 H \nATOM 3204 H PHE A1058 0.106 43.127 20.830 1.00 0.27 H \nATOM 3205 N TYR A1059 2.238 46.070 22.187 1.00 -0.42 N \nATOM 3206 CA TYR A1059 2.035 47.142 23.147 1.00 -0.00 C \nATOM 3207 C TYR A1059 2.608 48.444 22.568 1.00 0.60 C \nATOM 3208 O TYR A1059 3.380 48.425 21.613 1.00 -0.57 O \nATOM 3209 CB TYR A1059 2.759 46.830 24.470 1.00 -0.02 C \nATOM 3210 CG TYR A1059 2.435 45.477 25.097 1.00 -0.00 C \nATOM 3211 CD1 TYR A1059 2.820 44.291 24.482 1.00 -0.19 C \nATOM 3212 CD2 TYR A1059 1.755 45.393 26.309 1.00 -0.19 C \nATOM 3213 CE1 TYR A1059 2.527 43.062 25.044 1.00 -0.23 C \nATOM 3214 CE2 TYR A1059 1.459 44.166 26.882 1.00 -0.23 C \nATOM 3215 CZ TYR A1059 1.847 43.004 26.247 1.00 0.32 C \nATOM 3216 OH TYR A1059 1.557 41.783 26.816 1.00 -0.56 O \nATOM 3217 HA TYR A1059 0.958 47.262 23.338 1.00 0.09 H \nATOM 3218 HB3 TYR A1059 3.842 46.864 24.279 1.00 0.03 H \nATOM 3219 HB2 TYR A1059 2.490 47.612 25.195 1.00 0.03 H \nATOM 3220 HD2 TYR A1059 1.452 46.303 26.813 1.00 0.17 H \nATOM 3221 HE2 TYR A1059 0.925 44.120 27.824 1.00 0.17 H \nATOM 3222 HE1 TYR A1059 2.829 42.149 24.544 1.00 0.17 H \nATOM 3223 HD1 TYR A1059 3.361 44.331 23.543 1.00 0.17 H \nATOM 3224 HH TYR A1059 1.889 41.088 26.260 1.00 0.40 H \nATOM 3225 H TYR A1059 3.159 45.692 22.089 1.00 0.27 H \nATOM 3226 N ILE A1060 2.253 49.568 23.171 1.00 -0.42 N \nATOM 3227 CA ILE A1060 2.935 50.827 22.882 1.00 -0.06 C \nATOM 3228 C ILE A1060 4.436 50.648 23.150 1.00 0.60 C \nATOM 3229 O ILE A1060 5.278 51.140 22.399 1.00 -0.57 O \nATOM 3230 CB ILE A1060 2.357 51.964 23.736 1.00 0.13 C \nATOM 3231 CG1 ILE A1060 0.916 52.255 23.298 1.00 -0.04 C \nATOM 3232 CG2 ILE A1060 3.218 53.213 23.636 1.00 -0.32 C \nATOM 3233 CD1 ILE A1060 0.272 53.407 24.031 1.00 -0.07 C \nATOM 3234 HA ILE A1060 2.789 51.078 21.821 1.00 0.09 H \nATOM 3235 HB ILE A1060 2.343 51.639 24.787 1.00 0.02 H \nATOM 3236 HG12 ILE A1060 0.922 52.489 22.223 1.00 0.02 H \nATOM 3237 HG13 ILE A1060 0.312 51.353 23.474 1.00 0.02 H \nATOM 3238 HD11 ILE A1060 0.861 54.321 23.866 1.00 0.02 H \nATOM 3239 HD12 ILE A1060 -0.750 53.556 23.653 1.00 0.02 H \nATOM 3240 HD13 ILE A1060 0.236 53.183 25.107 1.00 0.02 H \nATOM 3241 HG21 ILE A1060 3.269 53.540 22.587 1.00 0.09 H \nATOM 3242 HG22 ILE A1060 2.776 54.013 24.248 1.00 0.09 H \nATOM 3243 HG23 ILE A1060 4.232 52.990 24.001 1.00 0.09 H \nATOM 3244 H ILE A1060 1.506 49.555 23.835 1.00 0.27 H \nATOM 3245 N ALA A1061 4.762 49.904 24.207 1.00 -0.42 N \nATOM 3246 CA ALA A1061 6.148 49.552 24.509 1.00 0.03 C \nATOM 3247 C ALA A1061 6.814 48.763 23.384 1.00 0.60 C \nATOM 3248 O ALA A1061 8.038 48.791 23.254 1.00 -0.57 O \nATOM 3249 CB ALA A1061 6.235 48.776 25.820 1.00 -0.18 C \nATOM 3250 HA ALA A1061 6.708 50.491 24.633 1.00 0.08 H \nATOM 3251 HB1 ALA A1061 7.285 48.522 26.027 1.00 0.06 H \nATOM 3252 HB2 ALA A1061 5.839 49.394 26.639 1.00 0.06 H \nATOM 3253 HB3 ALA A1061 5.643 47.852 25.739 1.00 0.06 H \nATOM 3254 H ALA A1061 4.036 49.577 24.812 1.00 0.27 H \nATOM 3255 N SER A1062 6.029 48.045 22.589 1.00 -0.42 N \nATOM 3256 CA SER A1062 6.551 47.368 21.406 1.00 -0.02 C \nATOM 3257 C SER A1062 6.999 48.363 20.322 1.00 0.60 C \nATOM 3258 O SER A1062 7.979 48.119 19.627 1.00 -0.57 O \nATOM 3259 CB SER A1062 5.513 46.415 20.822 1.00 0.21 C \nATOM 3260 OG SER A1062 5.028 45.533 21.807 1.00 -0.65 O \nATOM 3261 HA SER A1062 7.428 46.779 21.714 1.00 0.08 H \nATOM 3262 HB2 SER A1062 4.674 47.000 20.418 1.00 0.04 H \nATOM 3263 HB3 SER A1062 5.976 45.831 20.013 1.00 0.04 H \nATOM 3264 HG SER A1062 4.384 44.950 21.421 1.00 0.43 H \nATOM 3265 H SER A1062 5.056 47.966 22.806 1.00 0.27 H \nATOM 3266 N ASP A1063 6.274 49.469 20.172 1.00 -0.52 N \nATOM 3267 CA ASP A1063 6.720 50.552 19.277 1.00 0.04 C \nATOM 3268 C ASP A1063 7.982 51.245 19.805 1.00 0.54 C \nATOM 3269 O ASP A1063 8.813 51.727 19.026 1.00 -0.58 O \nATOM 3270 CB ASP A1063 5.618 51.601 19.080 1.00 -0.03 C \nATOM 3271 CG ASP A1063 4.588 51.194 18.046 1.00 0.80 C \nATOM 3272 OD1 ASP A1063 4.835 50.277 17.224 1.00 -0.80 O \nATOM 3273 OD2 ASP A1063 3.522 51.840 18.046 1.00 -0.80 O \nATOM 3274 HA ASP A1063 6.954 50.106 18.299 1.00 0.09 H \nATOM 3275 HB2 ASP A1063 5.107 51.756 20.041 1.00 -0.01 H \nATOM 3276 HB3 ASP A1063 6.085 52.543 18.757 1.00 -0.01 H \nATOM 3277 H ASP A1063 5.414 49.567 20.674 1.00 0.29 H \nATOM 3278 N VAL A1064 8.132 51.306 21.123 1.00 -0.42 N \nATOM 3279 CA VAL A1064 9.333 51.895 21.694 1.00 -0.09 C \nATOM 3280 C VAL A1064 10.533 51.049 21.288 1.00 0.60 C \nATOM 3281 O VAL A1064 11.575 51.584 20.916 1.00 -0.57 O \nATOM 3282 CB VAL A1064 9.238 52.039 23.220 1.00 0.30 C \nATOM 3283 CG1 VAL A1064 10.605 52.328 23.809 1.00 -0.32 C \nATOM 3284 CG2 VAL A1064 8.251 53.145 23.575 1.00 -0.32 C \nATOM 3285 HA VAL A1064 9.458 52.902 21.270 1.00 0.10 H \nATOM 3286 HB VAL A1064 8.870 51.092 23.641 1.00 -0.03 H \nATOM 3287 HG11 VAL A1064 11.001 53.259 23.377 1.00 0.08 H \nATOM 3288 HG12 VAL A1064 10.518 52.438 24.900 1.00 0.08 H \nATOM 3289 HG13 VAL A1064 11.287 51.497 23.578 1.00 0.08 H \nATOM 3290 HG21 VAL A1064 7.261 52.900 23.163 1.00 0.08 H \nATOM 3291 HG22 VAL A1064 8.180 53.236 24.669 1.00 0.08 H \nATOM 3292 HG23 VAL A1064 8.599 54.098 23.150 1.00 0.08 H \nATOM 3293 H VAL A1064 7.418 50.946 21.724 1.00 0.27 H \nATOM 3294 N TRP A1065 10.374 49.728 21.326 1.00 -0.42 N \nATOM 3295 CA TRP A1065 11.430 48.819 20.882 1.00 -0.03 C \nATOM 3296 C TRP A1065 11.804 49.058 19.439 1.00 0.60 C \nATOM 3297 O TRP A1065 12.990 49.188 19.110 1.00 -0.57 O \nATOM 3298 CB TRP A1065 11.005 47.375 21.084 1.00 -0.01 C \nATOM 3299 CG TRP A1065 12.001 46.388 20.551 1.00 -0.14 C \nATOM 3300 CD1 TRP A1065 12.310 46.132 19.225 1.00 -0.16 C \nATOM 3301 CD2 TRP A1065 12.852 45.476 21.322 1.00 0.12 C \nATOM 3302 NE1 TRP A1065 13.269 45.169 19.124 1.00 -0.34 N \nATOM 3303 CE2 TRP A1065 13.626 44.724 20.352 1.00 0.14 C \nATOM 3304 CE3 TRP A1065 13.026 45.209 22.668 1.00 -0.24 C \nATOM 3305 CZ2 TRP A1065 14.548 43.770 20.733 1.00 -0.26 C \nATOM 3306 CZ3 TRP A1065 13.955 44.229 23.039 1.00 -0.20 C \nATOM 3307 CH2 TRP A1065 14.698 43.535 22.094 1.00 -0.11 C \nATOM 3308 HA TRP A1065 12.321 49.006 21.500 1.00 0.11 H \nATOM 3309 HB2 TRP A1065 10.876 47.195 22.162 1.00 0.03 H \nATOM 3310 HB3 TRP A1065 10.046 47.217 20.569 1.00 0.03 H \nATOM 3311 HE1 TRP A1065 13.667 44.827 18.237 1.00 0.34 H \nATOM 3312 HD1 TRP A1065 11.848 46.634 18.376 1.00 0.21 H \nATOM 3313 HZ2 TRP A1065 15.132 43.226 19.999 1.00 0.16 H \nATOM 3314 HH2 TRP A1065 15.413 42.791 22.426 1.00 0.14 H \nATOM 3315 HZ3 TRP A1065 14.097 44.007 24.090 1.00 0.14 H \nATOM 3316 HE3 TRP A1065 12.457 45.746 23.418 1.00 0.17 H \nATOM 3317 H TRP A1065 9.513 49.349 21.666 1.00 0.27 H \nATOM 3318 N SER A1066 10.809 49.115 18.562 1.00 -0.42 N \nATOM 3319 CA SER A1066 11.051 49.411 17.150 1.00 -0.02 C \nATOM 3320 C SER A1066 11.726 50.764 16.959 1.00 0.60 C \nATOM 3321 O SER A1066 12.551 50.933 16.053 1.00 -0.57 O \nATOM 3322 CB SER A1066 9.739 49.404 16.348 1.00 0.21 C \nATOM 3323 OG SER A1066 9.095 48.147 16.453 1.00 -0.65 O \nATOM 3324 HA SER A1066 11.714 48.630 16.748 1.00 0.08 H \nATOM 3325 HB2 SER A1066 9.072 50.186 16.740 1.00 0.04 H \nATOM 3326 HB3 SER A1066 9.961 49.609 15.290 1.00 0.04 H \nATOM 3327 HG SER A1066 8.288 48.162 15.952 1.00 0.43 H \nATOM 3328 H SER A1066 9.873 48.952 18.874 1.00 0.27 H \nATOM 3329 N PHE A1067 11.353 51.734 17.787 1.00 -0.42 N \nATOM 3330 CA PHE A1067 11.959 53.045 17.682 1.00 -0.00 C \nATOM 3331 C PHE A1067 13.462 52.938 17.927 1.00 0.60 C \nATOM 3332 O PHE A1067 14.241 53.533 17.194 1.00 -0.57 O \nATOM 3333 CB PHE A1067 11.351 54.070 18.631 1.00 -0.03 C \nATOM 3334 CG PHE A1067 12.178 55.312 18.733 1.00 0.01 C \nATOM 3335 CD1 PHE A1067 12.131 56.266 17.727 1.00 -0.13 C \nATOM 3336 CD2 PHE A1067 13.092 55.461 19.755 1.00 -0.13 C \nATOM 3337 CE1 PHE A1067 12.928 57.393 17.789 1.00 -0.17 C \nATOM 3338 CE2 PHE A1067 13.895 56.584 19.825 1.00 -0.17 C \nATOM 3339 CZ PHE A1067 13.815 57.547 18.842 1.00 -0.11 C \nATOM 3340 HA PHE A1067 11.800 53.406 16.655 1.00 0.10 H \nATOM 3341 HB2 PHE A1067 10.350 54.341 18.264 1.00 0.03 H \nATOM 3342 HB3 PHE A1067 11.266 53.619 19.631 1.00 0.03 H \nATOM 3343 HD2 PHE A1067 13.182 54.690 20.511 1.00 0.13 H \nATOM 3344 HE2 PHE A1067 14.586 56.707 20.651 1.00 0.14 H \nATOM 3345 HZ PHE A1067 14.447 58.426 18.893 1.00 0.13 H \nATOM 3346 HE1 PHE A1067 12.860 58.152 17.018 1.00 0.14 H \nATOM 3347 HD1 PHE A1067 11.463 56.126 16.885 1.00 0.13 H \nATOM 3348 H PHE A1067 10.655 51.559 18.481 1.00 0.27 H \nATOM 3349 N GLY A1068 13.853 52.205 18.969 1.00 -0.42 N \nATOM 3350 CA GLY A1068 15.250 51.920 19.225 1.00 -0.03 C \nATOM 3351 C GLY A1068 16.002 51.458 17.991 1.00 0.60 C \nATOM 3352 O GLY A1068 17.104 51.930 17.719 1.00 -0.57 O \nATOM 3353 HA3 GLY A1068 15.729 52.834 19.605 1.00 0.07 H \nATOM 3354 HA2 GLY A1068 15.311 51.130 19.988 1.00 0.07 H \nATOM 3355 H GLY A1068 13.161 51.841 19.593 1.00 0.27 H \nATOM 3356 N VAL A1069 15.410 50.536 17.241 1.00 -0.42 N \nATOM 3357 CA VAL A1069 16.036 49.998 16.040 1.00 -0.09 C \nATOM 3358 C VAL A1069 16.060 51.050 14.937 1.00 0.60 C \nATOM 3359 O VAL A1069 17.043 51.183 14.219 1.00 -0.57 O \nATOM 3360 CB VAL A1069 15.315 48.717 15.542 1.00 0.30 C \nATOM 3361 CG1 VAL A1069 15.992 48.167 14.293 1.00 -0.32 C \nATOM 3362 CG2 VAL A1069 15.256 47.666 16.645 1.00 -0.32 C \nATOM 3363 HA VAL A1069 17.074 49.731 16.287 1.00 0.10 H \nATOM 3364 HB VAL A1069 14.283 48.988 15.277 1.00 -0.03 H \nATOM 3365 HG11 VAL A1069 17.042 47.928 14.520 1.00 0.08 H \nATOM 3366 HG12 VAL A1069 15.471 47.255 13.965 1.00 0.08 H \nATOM 3367 HG13 VAL A1069 15.952 48.920 13.492 1.00 0.08 H \nATOM 3368 HG21 VAL A1069 14.715 48.074 17.511 1.00 0.08 H \nATOM 3369 HG22 VAL A1069 14.733 46.773 16.273 1.00 0.08 H \nATOM 3370 HG23 VAL A1069 16.278 47.393 16.946 1.00 0.08 H \nATOM 3371 H VAL A1069 14.507 50.200 17.509 1.00 0.27 H \nATOM 3372 N THR A1070 14.989 51.823 14.813 1.00 -0.42 N \nATOM 3373 CA THR A1070 14.961 52.914 13.852 1.00 -0.04 C \nATOM 3374 C THR A1070 16.044 53.966 14.179 1.00 0.60 C \nATOM 3375 O THR A1070 16.651 54.546 13.272 1.00 -0.57 O \nATOM 3376 CB THR A1070 13.580 53.583 13.816 1.00 0.37 C \nATOM 3377 OG1 THR A1070 12.595 52.626 13.402 1.00 -0.68 O \nATOM 3378 CG2 THR A1070 13.553 54.756 12.851 1.00 -0.24 C \nATOM 3379 HA THR A1070 15.171 52.498 12.855 1.00 0.10 H \nATOM 3380 HB THR A1070 13.335 53.945 14.825 1.00 0.00 H \nATOM 3381 HG1 THR A1070 11.740 53.040 13.380 1.00 0.41 H \nATOM 3382 HG23 THR A1070 13.684 55.694 13.410 1.00 0.06 H \nATOM 3383 HG21 THR A1070 14.368 54.648 12.120 1.00 0.06 H \nATOM 3384 HG22 THR A1070 12.588 54.775 12.324 1.00 0.06 H \nATOM 3385 H THR A1070 14.189 51.653 15.389 1.00 0.27 H \nATOM 3386 N LEU A1071 16.260 54.221 15.471 1.00 -0.42 N \nATOM 3387 CA LEU A1071 17.315 55.141 15.923 1.00 -0.05 C \nATOM 3388 C LEU A1071 18.694 54.600 15.546 1.00 0.60 C \nATOM 3389 O LEU A1071 19.583 55.345 15.170 1.00 -0.57 O \nATOM 3390 CB LEU A1071 17.231 55.343 17.435 1.00 -0.11 C \nATOM 3391 CG LEU A1071 18.267 56.247 18.099 1.00 0.35 C \nATOM 3392 CD1 LEU A1071 18.202 57.664 17.536 1.00 -0.41 C \nATOM 3393 CD2 LEU A1071 18.059 56.238 19.613 1.00 -0.41 C \nATOM 3394 HA LEU A1071 17.170 56.113 15.428 1.00 0.09 H \nATOM 3395 HB2 LEU A1071 16.240 55.767 17.653 1.00 0.05 H \nATOM 3396 HB3 LEU A1071 17.316 54.351 17.902 1.00 0.05 H \nATOM 3397 HG LEU A1071 19.267 55.842 17.886 1.00 -0.04 H \nATOM 3398 HD21 LEU A1071 18.162 55.210 19.991 1.00 0.10 H \nATOM 3399 HD22 LEU A1071 18.813 56.882 20.090 1.00 0.10 H \nATOM 3400 HD23 LEU A1071 17.053 56.616 19.847 1.00 0.10 H \nATOM 3401 HD11 LEU A1071 17.198 58.081 17.707 1.00 0.10 H \nATOM 3402 HD12 LEU A1071 18.951 58.293 18.039 1.00 0.10 H \nATOM 3403 HD13 LEU A1071 18.410 57.639 16.456 1.00 0.10 H \nATOM 3404 H LEU A1071 15.685 53.772 16.155 1.00 0.27 H \nATOM 3405 N HIS A1072 18.873 53.293 15.641 1.00 -0.42 N \nATOM 3406 CA HIS A1072 20.100 52.700 15.183 1.00 0.02 C \nATOM 3407 C HIS A1072 20.308 52.990 13.714 1.00 0.60 C \nATOM 3408 O HIS A1072 21.399 53.413 13.304 1.00 -0.57 O \nATOM 3409 CB HIS A1072 20.110 51.203 15.464 1.00 -0.05 C \nATOM 3410 CG HIS A1072 21.469 50.581 15.333 1.00 -0.03 C \nATOM 3411 ND1 HIS A1072 22.048 50.353 14.145 1.00 -0.38 N \nATOM 3412 CD2 HIS A1072 22.372 50.146 16.305 1.00 0.13 C \nATOM 3413 CE1 HIS A1072 23.252 49.777 14.340 1.00 0.21 C \nATOM 3414 NE2 HIS A1072 23.451 49.669 15.663 1.00 -0.57 N \nATOM 3415 HA HIS A1072 20.931 53.156 15.741 1.00 0.09 H \nATOM 3416 HB2 HIS A1072 19.749 51.038 16.490 1.00 0.04 H \nATOM 3417 HB3 HIS A1072 19.431 50.710 14.753 1.00 0.04 H \nATOM 3418 HD2 HIS A1072 22.228 50.186 17.384 1.00 0.11 H \nATOM 3419 HE1 HIS A1072 23.942 49.456 13.561 1.00 0.14 H \nATOM 3420 HD1 HIS A1072 21.638 50.582 13.228 1.00 0.36 H \nATOM 3421 H HIS A1072 18.155 52.717 16.031 1.00 0.27 H \nATOM 3422 N GLU A1073 19.268 52.817 12.909 1.00 -0.52 N \nATOM 3423 CA GLU A1073 19.363 53.080 11.469 1.00 0.04 C \nATOM 3424 C GLU A1073 19.742 54.526 11.182 1.00 0.54 C \nATOM 3425 O GLU A1073 20.569 54.806 10.322 1.00 -0.58 O \nATOM 3426 CB GLU A1073 18.041 52.815 10.753 1.00 0.06 C \nATOM 3427 CG GLU A1073 17.541 51.388 10.794 1.00 0.01 C \nATOM 3428 CD GLU A1073 16.257 51.262 10.000 1.00 0.81 C \nATOM 3429 OE1 GLU A1073 15.157 51.367 10.601 1.00 -0.82 O \nATOM 3430 OE2 GLU A1073 16.349 51.108 8.767 1.00 -0.82 O \nATOM 3431 HA GLU A1073 20.135 52.417 11.052 1.00 0.11 H \nATOM 3432 HB2 GLU A1073 17.274 53.454 11.215 1.00 -0.02 H \nATOM 3433 HB3 GLU A1073 18.167 53.098 9.697 1.00 -0.02 H \nATOM 3434 HG2 GLU A1073 18.303 50.723 10.361 1.00 -0.04 H \nATOM 3435 HG3 GLU A1073 17.353 51.099 11.838 1.00 -0.04 H \nATOM 3436 H GLU A1073 18.400 52.500 13.292 1.00 0.29 H \nATOM 3437 N LEU A1074 19.098 55.432 11.899 1.00 -0.42 N \nATOM 3438 CA LEU A1074 19.333 56.858 11.742 1.00 -0.05 C \nATOM 3439 C LEU A1074 20.789 57.156 12.066 1.00 0.60 C \nATOM 3440 O LEU A1074 21.451 57.880 11.334 1.00 -0.57 O \nATOM 3441 CB LEU A1074 18.383 57.649 12.649 1.00 -0.11 C \nATOM 3442 CG LEU A1074 18.665 59.128 12.901 1.00 0.35 C \nATOM 3443 CD1 LEU A1074 18.540 59.906 11.602 1.00 -0.41 C \nATOM 3444 CD2 LEU A1074 17.699 59.673 13.944 1.00 -0.41 C \nATOM 3445 HA LEU A1074 19.137 57.142 10.697 1.00 0.09 H \nATOM 3446 HB2 LEU A1074 17.380 57.583 12.202 1.00 0.05 H \nATOM 3447 HB3 LEU A1074 18.381 57.149 13.629 1.00 0.05 H \nATOM 3448 HG LEU A1074 19.692 59.235 13.280 1.00 -0.04 H \nATOM 3449 HD21 LEU A1074 17.815 59.109 14.881 1.00 0.10 H \nATOM 3450 HD22 LEU A1074 17.917 60.736 14.126 1.00 0.10 H \nATOM 3451 HD23 LEU A1074 16.667 59.568 13.578 1.00 0.10 H \nATOM 3452 HD11 LEU A1074 17.524 59.785 11.198 1.00 0.10 H \nATOM 3453 HD12 LEU A1074 18.734 60.972 11.793 1.00 0.10 H \nATOM 3454 HD13 LEU A1074 19.271 59.524 10.874 1.00 0.10 H \nATOM 3455 H LEU A1074 18.426 55.125 12.573 1.00 0.27 H \nATOM 3456 N LEU A1075 21.295 56.571 13.149 1.00 -0.42 N \nATOM 3457 CA LEU A1075 22.668 56.805 13.560 1.00 -0.05 C \nATOM 3458 C LEU A1075 23.679 56.200 12.588 1.00 0.60 C \nATOM 3459 O LEU A1075 24.813 56.667 12.512 1.00 -0.57 O \nATOM 3460 CB LEU A1075 22.902 56.286 14.975 1.00 -0.11 C \nATOM 3461 CG LEU A1075 22.197 57.113 16.052 1.00 0.35 C \nATOM 3462 CD1 LEU A1075 22.342 56.443 17.408 1.00 -0.41 C \nATOM 3463 CD2 LEU A1075 22.761 58.528 16.089 1.00 -0.41 C \nATOM 3464 HA LEU A1075 22.829 57.893 13.569 1.00 0.09 H \nATOM 3465 HB2 LEU A1075 22.532 55.252 15.032 1.00 0.05 H \nATOM 3466 HB3 LEU A1075 23.983 56.300 15.177 1.00 0.05 H \nATOM 3467 HG LEU A1075 21.127 57.171 15.804 1.00 -0.04 H \nATOM 3468 HD21 LEU A1075 22.618 59.005 15.108 1.00 0.10 H \nATOM 3469 HD22 LEU A1075 22.237 59.112 16.860 1.00 0.10 H \nATOM 3470 HD23 LEU A1075 23.835 58.489 16.325 1.00 0.10 H \nATOM 3471 HD11 LEU A1075 23.409 56.347 17.657 1.00 0.10 H \nATOM 3472 HD12 LEU A1075 21.840 57.053 18.174 1.00 0.10 H \nATOM 3473 HD13 LEU A1075 21.882 55.444 17.375 1.00 0.10 H \nATOM 3474 H LEU A1075 20.719 55.959 13.690 1.00 0.27 H \nATOM 3475 N THR A1076 23.263 55.198 11.816 1.00 -0.42 N \nATOM 3476 CA THR A1076 24.120 54.615 10.774 1.00 -0.04 C \nATOM 3477 C THR A1076 23.818 55.181 9.388 1.00 0.60 C \nATOM 3478 O THR A1076 24.276 54.652 8.375 1.00 -0.57 O \nATOM 3479 CB THR A1076 24.053 53.072 10.774 1.00 0.37 C \nATOM 3480 OG1 THR A1076 22.734 52.638 10.431 1.00 -0.68 O \nATOM 3481 CG2 THR A1076 24.390 52.530 12.141 1.00 -0.24 C \nATOM 3482 HA THR A1076 25.156 54.895 11.018 1.00 0.10 H \nATOM 3483 HB THR A1076 24.771 52.681 10.038 1.00 0.00 H \nATOM 3484 HG1 THR A1076 22.702 51.689 10.434 1.00 0.41 H \nATOM 3485 HG23 THR A1076 25.443 52.212 12.160 1.00 0.06 H \nATOM 3486 HG21 THR A1076 24.230 53.314 12.896 1.00 0.06 H \nATOM 3487 HG22 THR A1076 23.742 51.669 12.364 1.00 0.06 H \nATOM 3488 H THR A1076 22.342 54.832 11.949 1.00 0.27 H \nATOM 3489 N TYR A1077 23.072 56.277 9.334 1.00 -0.42 N \nATOM 3490 CA TYR A1077 22.713 56.897 8.059 1.00 -0.00 C \nATOM 3491 C TYR A1077 22.099 55.901 7.080 1.00 0.60 C \nATOM 3492 O TYR A1077 22.273 56.025 5.860 1.00 -0.57 O \nATOM 3493 CB TYR A1077 23.931 57.566 7.434 1.00 -0.02 C \nATOM 3494 CG TYR A1077 24.453 58.705 8.259 1.00 -0.00 C \nATOM 3495 CD1 TYR A1077 23.920 59.980 8.120 1.00 -0.19 C \nATOM 3496 CD2 TYR A1077 25.481 58.518 9.169 1.00 -0.19 C \nATOM 3497 CE1 TYR A1077 24.396 61.034 8.866 1.00 -0.23 C \nATOM 3498 CE2 TYR A1077 25.966 59.571 9.930 1.00 -0.23 C \nATOM 3499 CZ TYR A1077 25.419 60.824 9.771 1.00 0.32 C \nATOM 3500 OH TYR A1077 25.899 61.879 10.504 1.00 -0.56 O \nATOM 3501 HA TYR A1077 21.961 57.674 8.264 1.00 0.09 H \nATOM 3502 HB3 TYR A1077 24.728 56.816 7.326 1.00 0.03 H \nATOM 3503 HB2 TYR A1077 23.651 57.949 6.442 1.00 0.03 H \nATOM 3504 HD2 TYR A1077 25.914 57.531 9.288 1.00 0.17 H \nATOM 3505 HE2 TYR A1077 26.767 59.409 10.642 1.00 0.17 H \nATOM 3506 HE1 TYR A1077 23.971 62.024 8.744 1.00 0.17 H \nATOM 3507 HD1 TYR A1077 23.116 60.148 7.412 1.00 0.17 H \nATOM 3508 HH TYR A1077 25.418 62.666 10.278 1.00 0.40 H \nATOM 3509 H TYR A1077 22.747 56.689 10.185 1.00 0.27 H \nATOM 3510 N CYS A1078 21.372 54.925 7.627 1.00 -0.42 N \nATOM 3511 CA CYS A1078 20.672 53.926 6.837 1.00 0.02 C \nATOM 3512 C CYS A1078 21.573 53.198 5.835 1.00 0.60 C \nATOM 3513 O CYS A1078 21.124 52.830 4.754 1.00 -0.57 O \nATOM 3514 CB CYS A1078 19.497 54.570 6.109 1.00 -0.12 C \nATOM 3515 SG CYS A1078 18.113 54.983 7.199 1.00 -0.31 S \nATOM 3516 HA CYS A1078 20.274 53.172 7.533 1.00 0.11 H \nATOM 3517 HB2 CYS A1078 19.849 55.494 5.628 1.00 0.11 H \nATOM 3518 HB3 CYS A1078 19.138 53.870 5.340 1.00 0.11 H \nATOM 3519 HG CYS A1078 17.373 55.403 6.658 1.00 0.19 H \nATOM 3520 H CYS A1078 21.306 54.879 8.624 1.00 0.27 H \nATOM 3521 N ASP A1079 22.839 52.988 6.167 1.00 -0.52 N \nATOM 3522 CA ASP A1079 23.683 52.272 5.221 1.00 0.04 C \nATOM 3523 C ASP A1079 23.269 50.813 5.215 1.00 0.54 C \nATOM 3524 O ASP A1079 23.098 50.204 6.270 1.00 -0.58 O \nATOM 3525 CB ASP A1079 25.169 52.379 5.531 1.00 -0.03 C \nATOM 3526 CG ASP A1079 26.003 51.661 4.484 1.00 0.80 C \nATOM 3527 OD1 ASP A1079 26.195 52.228 3.382 1.00 -0.80 O \nATOM 3528 OD2 ASP A1079 26.389 50.506 4.731 1.00 -0.80 O \nATOM 3529 HA ASP A1079 23.513 52.696 4.220 1.00 0.09 H \nATOM 3530 HB2 ASP A1079 25.456 53.441 5.551 1.00 -0.01 H \nATOM 3531 HB3 ASP A1079 25.363 51.928 6.515 1.00 -0.01 H \nATOM 3532 H ASP A1079 23.203 53.311 7.040 1.00 0.29 H \nATOM 3533 N SER A1080 23.112 50.257 4.020 1.00 -0.42 N \nATOM 3534 CA SER A1080 22.597 48.896 3.877 1.00 -0.02 C \nATOM 3535 C SER A1080 23.466 47.852 4.560 1.00 0.60 C \nATOM 3536 O SER A1080 22.940 46.878 5.098 1.00 -0.57 O \nATOM 3537 CB SER A1080 22.402 48.547 2.392 1.00 0.21 C \nATOM 3538 OG SER A1080 23.521 48.949 1.623 1.00 -0.65 O \nATOM 3539 HA SER A1080 21.610 48.867 4.362 1.00 0.08 H \nATOM 3540 HB2 SER A1080 22.270 47.460 2.293 1.00 0.04 H \nATOM 3541 HB3 SER A1080 21.505 49.061 2.017 1.00 0.04 H \nATOM 3542 HG SER A1080 23.377 48.723 0.712 1.00 0.43 H \nATOM 3543 H SER A1080 23.351 50.779 3.201 1.00 0.27 H \nATOM 3544 N ASP A1081 24.785 48.049 4.580 1.00 -0.52 N \nATOM 3545 CA ASP A1081 25.674 47.061 5.213 1.00 0.04 C \nATOM 3546 C ASP A1081 25.619 47.106 6.743 1.00 0.54 C \nATOM 3547 O ASP A1081 26.053 46.169 7.409 1.00 -0.58 O \nATOM 3548 CB ASP A1081 27.113 47.182 4.691 1.00 -0.03 C \nATOM 3549 CG ASP A1081 27.264 46.624 3.275 1.00 0.80 C \nATOM 3550 OD1 ASP A1081 27.174 45.388 3.109 1.00 -0.80 O \nATOM 3551 OD2 ASP A1081 27.458 47.415 2.329 1.00 -0.80 O \nATOM 3552 HA ASP A1081 25.307 46.068 4.913 1.00 0.09 H \nATOM 3553 HB2 ASP A1081 27.399 48.244 4.685 1.00 -0.01 H \nATOM 3554 HB3 ASP A1081 27.782 46.625 5.364 1.00 -0.01 H \nATOM 3555 H ASP A1081 25.172 48.872 4.163 1.00 0.29 H \nATOM 3556 N SER A1082 25.044 48.176 7.288 1.00 -0.42 N \nATOM 3557 CA SER A1082 24.885 48.327 8.732 1.00 -0.02 C \nATOM 3558 C SER A1082 23.431 48.174 9.176 1.00 0.60 C \nATOM 3559 O SER A1082 23.110 48.453 10.336 1.00 -0.57 O \nATOM 3560 CB SER A1082 25.403 49.703 9.175 1.00 0.21 C \nATOM 3561 OG SER A1082 26.785 49.829 8.917 1.00 -0.65 O \nATOM 3562 HA SER A1082 25.482 47.547 9.227 1.00 0.08 H \nATOM 3563 HB2 SER A1082 24.861 50.486 8.624 1.00 0.04 H \nATOM 3564 HB3 SER A1082 25.226 49.824 10.254 1.00 0.04 H \nATOM 3565 HG SER A1082 27.083 50.686 9.198 1.00 0.43 H \nATOM 3566 H SER A1082 24.709 48.902 6.687 1.00 0.27 H \nATOM 3567 N SER A1083 22.554 47.734 8.272 1.00 -0.42 N \nATOM 3568 CA SER A1083 21.135 47.648 8.601 1.00 -0.02 C \nATOM 3569 C SER A1083 20.892 46.618 9.703 1.00 0.60 C \nATOM 3570 O SER A1083 21.674 45.686 9.863 1.00 -0.57 O \nATOM 3571 CB SER A1083 20.273 47.328 7.370 1.00 0.21 C \nATOM 3572 OG SER A1083 20.150 45.932 7.170 1.00 -0.65 O \nATOM 3573 HA SER A1083 20.822 48.631 8.982 1.00 0.08 H \nATOM 3574 HB2 SER A1083 19.271 47.758 7.514 1.00 0.04 H \nATOM 3575 HB3 SER A1083 20.740 47.776 6.481 1.00 0.04 H \nATOM 3576 HG SER A1083 19.613 45.768 6.404 1.00 0.43 H \nATOM 3577 H SER A1083 22.871 47.462 7.364 1.00 0.27 H \nATOM 3578 N PRO A1084 19.808 46.795 10.478 1.00 -0.25 N \nATOM 3579 CA PRO A1084 19.429 45.855 11.521 1.00 -0.03 C \nATOM 3580 C PRO A1084 19.333 44.406 11.039 1.00 0.59 C \nATOM 3581 O PRO A1084 19.672 43.494 11.787 1.00 -0.57 O \nATOM 3582 CB PRO A1084 18.061 46.360 11.967 1.00 -0.01 C \nATOM 3583 CG PRO A1084 18.110 47.821 11.691 1.00 0.02 C \nATOM 3584 CD PRO A1084 18.885 47.945 10.419 1.00 0.02 C \nATOM 3585 HA PRO A1084 20.150 45.902 12.350 1.00 0.06 H \nATOM 3586 HD3 PRO A1084 19.439 48.895 10.385 1.00 0.04 H \nATOM 3587 HD2 PRO A1084 18.222 47.875 9.544 1.00 0.04 H \nATOM 3588 HG3 PRO A1084 18.619 48.353 12.508 1.00 0.02 H \nATOM 3589 HG2 PRO A1084 17.095 48.226 11.567 1.00 0.02 H \nATOM 3590 HB2 PRO A1084 17.259 45.879 11.388 1.00 0.03 H \nATOM 3591 HB3 PRO A1084 17.904 46.170 13.039 1.00 0.03 H \nATOM 3592 N MET A1085 18.881 44.194 9.810 1.00 -0.42 N \nATOM 3593 CA MET A1085 18.832 42.841 9.250 1.00 -0.02 C \nATOM 3594 C MET A1085 20.245 42.305 9.003 1.00 0.60 C \nATOM 3595 O MET A1085 20.604 41.241 9.499 1.00 -0.57 O \nATOM 3596 CB MET A1085 18.049 42.815 7.946 1.00 0.03 C \nATOM 3597 CG MET A1085 17.950 41.420 7.341 1.00 0.00 C \nATOM 3598 SD MET A1085 16.771 41.316 5.989 1.00 -0.27 S \nATOM 3599 CE MET A1085 17.627 42.198 4.681 1.00 -0.05 C \nATOM 3600 HA MET A1085 18.328 42.185 9.975 1.00 0.09 H \nATOM 3601 HB2 MET A1085 17.032 43.186 8.140 1.00 0.02 H \nATOM 3602 HB3 MET A1085 18.549 43.476 7.223 1.00 0.02 H \nATOM 3603 HG2 MET A1085 18.942 41.132 6.963 1.00 0.04 H \nATOM 3604 HG3 MET A1085 17.640 40.718 8.129 1.00 0.04 H \nATOM 3605 HE1 MET A1085 18.585 41.700 4.469 1.00 0.07 H \nATOM 3606 HE2 MET A1085 17.006 42.200 3.773 1.00 0.07 H \nATOM 3607 HE3 MET A1085 17.815 43.234 4.999 1.00 0.07 H \nATOM 3608 H MET A1085 18.570 44.968 9.258 1.00 0.27 H \nATOM 3609 N ALA A1086 21.040 43.051 8.241 1.00 -0.42 N \nATOM 3610 CA ALA A1086 22.433 42.677 7.977 1.00 0.03 C \nATOM 3611 C ALA A1086 23.173 42.362 9.282 1.00 0.60 C \nATOM 3612 O ALA A1086 23.805 41.319 9.399 1.00 -0.57 O \nATOM 3613 CB ALA A1086 23.146 43.775 7.193 1.00 -0.18 C \nATOM 3614 HA ALA A1086 22.430 41.766 7.361 1.00 0.08 H \nATOM 3615 HB1 ALA A1086 24.188 43.475 7.006 1.00 0.06 H \nATOM 3616 HB2 ALA A1086 22.632 43.933 6.233 1.00 0.06 H \nATOM 3617 HB3 ALA A1086 23.132 44.709 7.774 1.00 0.06 H \nATOM 3618 H ALA A1086 20.677 43.891 7.837 1.00 0.27 H \nATOM 3619 N LEU A1087 23.060 43.233 10.280 1.00 -0.42 N \nATOM 3620 CA LEU A1087 23.778 43.034 11.536 1.00 -0.05 C \nATOM 3621 C LEU A1087 23.254 41.861 12.344 1.00 0.60 C \nATOM 3622 O LEU A1087 24.034 41.135 12.956 1.00 -0.57 O \nATOM 3623 CB LEU A1087 23.750 44.296 12.398 1.00 -0.11 C \nATOM 3624 CG LEU A1087 24.435 45.536 11.805 1.00 0.35 C \nATOM 3625 CD1 LEU A1087 24.350 46.672 12.819 1.00 -0.41 C \nATOM 3626 CD2 LEU A1087 25.884 45.279 11.392 1.00 -0.41 C \nATOM 3627 HA LEU A1087 24.827 42.820 11.281 1.00 0.09 H \nATOM 3628 HB2 LEU A1087 22.697 44.552 12.585 1.00 0.05 H \nATOM 3629 HB3 LEU A1087 24.246 44.062 13.352 1.00 0.05 H \nATOM 3630 HG LEU A1087 23.880 45.833 10.903 1.00 -0.04 H \nATOM 3631 HD21 LEU A1087 25.914 44.479 10.638 1.00 0.10 H \nATOM 3632 HD22 LEU A1087 26.313 46.199 10.967 1.00 0.10 H \nATOM 3633 HD23 LEU A1087 26.468 44.975 12.273 1.00 0.10 H \nATOM 3634 HD11 LEU A1087 24.848 46.369 13.752 1.00 0.10 H \nATOM 3635 HD12 LEU A1087 24.846 47.565 12.412 1.00 0.10 H \nATOM 3636 HD13 LEU A1087 23.294 46.901 13.025 1.00 0.10 H \nATOM 3637 H LEU A1087 22.475 44.036 10.169 1.00 0.27 H \nATOM 3638 N PHE A1088 21.938 41.678 12.372 1.00 -0.42 N \nATOM 3639 CA PHE A1088 21.379 40.527 13.070 1.00 -0.00 C \nATOM 3640 C PHE A1088 21.732 39.201 12.380 1.00 0.60 C \nATOM 3641 O PHE A1088 22.077 38.240 13.052 1.00 -0.57 O \nATOM 3642 CB PHE A1088 19.865 40.655 13.262 1.00 -0.03 C \nATOM 3643 CG PHE A1088 19.480 41.329 14.539 1.00 0.01 C \nATOM 3644 CD1 PHE A1088 19.946 40.848 15.752 1.00 -0.13 C \nATOM 3645 CD2 PHE A1088 18.653 42.443 14.535 1.00 -0.13 C \nATOM 3646 CE1 PHE A1088 19.596 41.454 16.935 1.00 -0.17 C \nATOM 3647 CE2 PHE A1088 18.294 43.050 15.717 1.00 -0.17 C \nATOM 3648 CZ PHE A1088 18.762 42.559 16.921 1.00 -0.11 C \nATOM 3649 HA PHE A1088 21.835 40.505 14.071 1.00 0.10 H \nATOM 3650 HB2 PHE A1088 19.456 41.238 12.424 1.00 0.03 H \nATOM 3651 HB3 PHE A1088 19.427 39.646 13.255 1.00 0.03 H \nATOM 3652 HD2 PHE A1088 18.287 42.838 13.594 1.00 0.13 H \nATOM 3653 HE2 PHE A1088 17.642 43.916 15.703 1.00 0.14 H \nATOM 3654 HZ PHE A1088 18.477 43.037 17.851 1.00 0.13 H \nATOM 3655 HE1 PHE A1088 19.972 41.068 17.876 1.00 0.14 H \nATOM 3656 HD1 PHE A1088 20.596 39.981 15.768 1.00 0.13 H \nATOM 3657 H PHE A1088 21.332 42.329 11.915 1.00 0.27 H \nATOM 3658 N LEU A1089 21.663 39.165 11.054 1.00 -0.42 N \nATOM 3659 CA LEU A1089 22.022 37.965 10.304 1.00 -0.05 C \nATOM 3660 C LEU A1089 23.495 37.588 10.498 1.00 0.60 C \nATOM 3661 O LEU A1089 23.856 36.409 10.422 1.00 -0.57 O \nATOM 3662 CB LEU A1089 21.676 38.127 8.822 1.00 -0.11 C \nATOM 3663 CG LEU A1089 20.167 38.095 8.531 1.00 0.35 C \nATOM 3664 CD1 LEU A1089 19.904 38.228 7.040 1.00 -0.41 C \nATOM 3665 CD2 LEU A1089 19.516 36.834 9.071 1.00 -0.41 C \nATOM 3666 HA LEU A1089 21.416 37.135 10.698 1.00 0.09 H \nATOM 3667 HB2 LEU A1089 22.076 39.092 8.476 1.00 0.05 H \nATOM 3668 HB3 LEU A1089 22.155 37.310 8.263 1.00 0.05 H \nATOM 3669 HG LEU A1089 19.708 38.957 9.038 1.00 -0.04 H \nATOM 3670 HD21 LEU A1089 19.668 36.780 10.159 1.00 0.10 H \nATOM 3671 HD22 LEU A1089 18.438 36.855 8.852 1.00 0.10 H \nATOM 3672 HD23 LEU A1089 19.970 35.953 8.593 1.00 0.10 H \nATOM 3673 HD11 LEU A1089 20.395 37.401 6.506 1.00 0.10 H \nATOM 3674 HD12 LEU A1089 18.820 38.192 6.854 1.00 0.10 H \nATOM 3675 HD13 LEU A1089 20.306 39.187 6.681 1.00 0.10 H \nATOM 3676 H LEU A1089 21.358 39.978 10.558 1.00 0.27 H \nATOM 3677 N LYS A1090 24.327 38.594 10.771 1.00 -0.35 N \nATOM 3678 CA LYS A1090 25.720 38.391 11.145 1.00 -0.24 C \nATOM 3679 C LYS A1090 25.777 37.751 12.520 1.00 0.73 C \nATOM 3680 O LYS A1090 26.486 36.769 12.717 1.00 -0.59 O \nATOM 3681 CB LYS A1090 26.463 39.735 11.175 1.00 -0.01 C \nATOM 3682 CG LYS A1090 27.984 39.647 11.181 1.00 0.02 C \nATOM 3683 CD LYS A1090 28.558 39.350 9.802 1.00 -0.05 C \nATOM 3684 CE LYS A1090 28.337 40.489 8.815 1.00 -0.01 C \nATOM 3685 NZ LYS A1090 28.827 40.121 7.457 1.00 -0.39 N \nATOM 3686 HA LYS A1090 26.201 37.727 10.411 1.00 0.14 H \nATOM 3687 HB2 LYS A1090 26.161 40.309 10.286 1.00 0.04 H \nATOM 3688 HB3 LYS A1090 26.152 40.273 12.082 1.00 0.04 H \nATOM 3689 HG2 LYS A1090 28.391 40.606 11.533 1.00 0.01 H \nATOM 3690 HG3 LYS A1090 28.288 38.845 11.869 1.00 0.01 H \nATOM 3691 HD2 LYS A1090 29.639 39.175 9.901 1.00 0.06 H \nATOM 3692 HD3 LYS A1090 28.075 38.444 9.407 1.00 0.06 H \nATOM 3693 HE2 LYS A1090 27.262 40.714 8.761 1.00 0.11 H \nATOM 3694 HE3 LYS A1090 28.881 41.379 9.165 1.00 0.11 H \nATOM 3695 HZ1 LYS A1090 28.336 39.302 7.133 1.00 0.34 H \nATOM 3696 HZ2 LYS A1090 28.661 40.886 6.821 1.00 0.34 H \nATOM 3697 HZ3 LYS A1090 29.815 39.926 7.498 1.00 0.34 H \nATOM 3698 H LYS A1090 23.979 39.530 10.716 1.00 0.27 H \nATOM 3699 N MET A1091 25.019 38.305 13.467 1.00 -0.42 N \nATOM 3700 CA MET A1091 25.023 37.820 14.861 1.00 -0.02 C \nATOM 3701 C MET A1091 24.496 36.390 15.069 1.00 0.60 C \nATOM 3702 O MET A1091 24.955 35.695 15.981 1.00 -0.57 O \nATOM 3703 CB MET A1091 24.193 38.746 15.759 1.00 0.03 C \nATOM 3704 CG MET A1091 24.815 40.100 16.059 1.00 0.00 C \nATOM 3705 SD MET A1091 23.711 41.180 17.008 1.00 -0.27 S \nATOM 3706 CE MET A1091 23.365 40.161 18.444 1.00 -0.05 C \nATOM 3707 HA MET A1091 26.068 37.842 15.205 1.00 0.09 H \nATOM 3708 HB2 MET A1091 23.226 38.920 15.264 1.00 0.02 H \nATOM 3709 HB3 MET A1091 24.027 38.230 16.716 1.00 0.02 H \nATOM 3710 HG2 MET A1091 25.737 39.943 16.637 1.00 0.04 H \nATOM 3711 HG3 MET A1091 25.059 40.594 15.107 1.00 0.04 H \nATOM 3712 HE1 MET A1091 24.307 39.924 18.961 1.00 0.07 H \nATOM 3713 HE2 MET A1091 22.699 40.706 19.129 1.00 0.07 H \nATOM 3714 HE3 MET A1091 22.878 39.229 18.123 1.00 0.07 H \nATOM 3715 H MET A1091 24.428 39.075 13.225 1.00 0.27 H \nATOM 3716 N ILE A1092 23.509 35.978 14.268 1.00 -0.42 N \nATOM 3717 CA ILE A1092 22.850 34.659 14.435 1.00 -0.06 C \nATOM 3718 C ILE A1092 23.161 33.646 13.324 1.00 0.60 C \nATOM 3719 O ILE A1092 22.974 32.450 13.513 1.00 -0.57 O \nATOM 3720 CB ILE A1092 21.304 34.778 14.547 1.00 0.13 C \nATOM 3721 CG1 ILE A1092 20.705 35.424 13.293 1.00 -0.04 C \nATOM 3722 CG2 ILE A1092 20.908 35.542 15.804 1.00 -0.32 C \nATOM 3723 CD1 ILE A1092 19.192 35.469 13.288 1.00 -0.07 C \nATOM 3724 HA ILE A1092 23.226 34.239 15.379 1.00 0.09 H \nATOM 3725 HB ILE A1092 20.893 33.761 14.628 1.00 0.02 H \nATOM 3726 HG12 ILE A1092 21.082 36.455 13.221 1.00 0.02 H \nATOM 3727 HG13 ILE A1092 21.037 34.850 12.416 1.00 0.02 H \nATOM 3728 HD11 ILE A1092 18.839 36.041 14.159 1.00 0.02 H \nATOM 3729 HD12 ILE A1092 18.843 35.954 12.364 1.00 0.02 H \nATOM 3730 HD13 ILE A1092 18.795 34.445 13.337 1.00 0.02 H \nATOM 3731 HG21 ILE A1092 21.348 36.550 15.774 1.00 0.09 H \nATOM 3732 HG22 ILE A1092 19.812 35.621 15.855 1.00 0.09 H \nATOM 3733 HG23 ILE A1092 21.278 35.006 16.691 1.00 0.09 H \nATOM 3734 H ILE A1092 23.204 36.580 13.530 1.00 0.27 H \nATOM 3735 N GLY A1093 23.613 34.123 12.170 1.00 -0.42 N \nATOM 3736 CA GLY A1093 23.836 33.267 11.010 1.00 -0.03 C \nATOM 3737 C GLY A1093 22.835 33.595 9.922 1.00 0.60 C \nATOM 3738 O GLY A1093 21.648 33.750 10.207 1.00 -0.57 O \nATOM 3739 HA3 GLY A1093 24.855 33.429 10.628 1.00 0.07 H \nATOM 3740 HA2 GLY A1093 23.719 32.214 11.307 1.00 0.07 H \nATOM 3741 H GLY A1093 23.807 35.101 12.094 1.00 0.27 H \nATOM 3742 N PRO A1094 23.299 33.733 8.671 1.00 -0.25 N \nATOM 3743 CA PRO A1094 22.430 34.099 7.538 1.00 -0.03 C \nATOM 3744 C PRO A1094 21.787 32.942 6.770 1.00 0.59 C \nATOM 3745 O PRO A1094 21.154 33.184 5.736 1.00 -0.57 O \nATOM 3746 CB PRO A1094 23.396 34.823 6.594 1.00 -0.01 C \nATOM 3747 CG PRO A1094 24.699 34.143 6.830 1.00 0.02 C \nATOM 3748 CD PRO A1094 24.727 33.776 8.292 1.00 0.02 C \nATOM 3749 HA PRO A1094 21.633 34.772 7.887 1.00 0.06 H \nATOM 3750 HD3 PRO A1094 25.265 34.536 8.877 1.00 0.04 H \nATOM 3751 HD2 PRO A1094 25.202 32.795 8.441 1.00 0.04 H \nATOM 3752 HG3 PRO A1094 25.531 34.822 6.592 1.00 0.02 H \nATOM 3753 HG2 PRO A1094 24.774 33.238 6.209 1.00 0.02 H \nATOM 3754 HB2 PRO A1094 23.079 34.710 5.547 1.00 0.03 H \nATOM 3755 HB3 PRO A1094 23.461 35.892 6.844 1.00 0.03 H \nATOM 3756 N THR A1095 21.946 31.704 7.235 1.00 -0.42 N \nATOM 3757 CA THR A1095 21.461 30.555 6.461 1.00 -0.04 C \nATOM 3758 C THR A1095 20.631 29.597 7.315 1.00 0.60 C \nATOM 3759 O THR A1095 20.795 28.377 7.223 1.00 -0.57 O \nATOM 3760 CB THR A1095 22.637 29.796 5.813 1.00 0.37 C \nATOM 3761 OG1 THR A1095 23.588 29.447 6.824 1.00 -0.68 O \nATOM 3762 CG2 THR A1095 23.318 30.658 4.757 1.00 -0.24 C \nATOM 3763 HA THR A1095 20.815 30.939 5.658 1.00 0.10 H \nATOM 3764 HB THR A1095 22.256 28.880 5.338 1.00 0.00 H \nATOM 3765 HG1 THR A1095 24.314 28.979 6.428 1.00 0.41 H \nATOM 3766 HG23 THR A1095 22.947 30.378 3.760 1.00 0.06 H \nATOM 3767 HG21 THR A1095 23.093 31.718 4.948 1.00 0.06 H \nATOM 3768 HG22 THR A1095 24.406 30.501 4.801 1.00 0.06 H \nATOM 3769 H THR A1095 22.398 31.557 8.115 1.00 0.27 H \nATOM 3770 N HIS A1096 19.729 30.153 8.124 1.00 -0.42 N \nATOM 3771 CA HIS A1096 18.868 29.349 8.995 1.00 0.02 C \nATOM 3772 C HIS A1096 17.450 29.200 8.493 1.00 0.60 C \nATOM 3773 O HIS A1096 16.643 28.511 9.119 1.00 -0.57 O \nATOM 3774 CB HIS A1096 18.875 29.913 10.410 1.00 -0.05 C \nATOM 3775 CG HIS A1096 20.196 29.753 11.113 1.00 -0.03 C \nATOM 3776 ND1 HIS A1096 20.853 28.585 11.148 1.00 -0.38 N \nATOM 3777 CD2 HIS A1096 20.974 30.665 11.823 1.00 0.13 C \nATOM 3778 CE1 HIS A1096 22.000 28.737 11.846 1.00 0.21 C \nATOM 3779 NE2 HIS A1096 22.069 30.006 12.262 1.00 -0.57 N \nATOM 3780 HA HIS A1096 19.303 28.339 9.034 1.00 0.09 H \nATOM 3781 HB2 HIS A1096 18.635 30.985 10.359 1.00 0.04 H \nATOM 3782 HB3 HIS A1096 18.103 29.393 10.996 1.00 0.04 H \nATOM 3783 HD2 HIS A1096 20.742 31.715 11.993 1.00 0.11 H \nATOM 3784 HE1 HIS A1096 22.740 27.961 12.037 1.00 0.14 H \nATOM 3785 HD1 HIS A1096 20.533 27.709 10.711 1.00 0.36 H \nATOM 3786 H HIS A1096 19.637 31.149 8.137 1.00 0.27 H \nATOM 3787 N GLY A1097 17.139 29.825 7.356 1.00 -0.42 N \nATOM 3788 CA GLY A1097 15.823 29.718 6.728 1.00 -0.03 C \nATOM 3789 C GLY A1097 14.670 30.002 7.671 1.00 0.60 C \nATOM 3790 O GLY A1097 14.538 31.112 8.179 1.00 -0.57 O \nATOM 3791 HA3 GLY A1097 15.776 30.437 5.896 1.00 0.07 H \nATOM 3792 HA2 GLY A1097 15.707 28.696 6.337 1.00 0.07 H \nATOM 3793 H GLY A1097 17.836 30.391 6.915 1.00 0.27 H \nATOM 3794 N GLN A1098 13.854 28.979 7.920 1.00 -0.42 N \nATOM 3795 CA GLN A1098 12.660 29.098 8.756 1.00 -0.00 C \nATOM 3796 C GLN A1098 12.951 29.038 10.251 1.00 0.60 C \nATOM 3797 O GLN A1098 12.037 29.200 11.057 1.00 -0.57 O \nATOM 3798 CB GLN A1098 11.665 27.978 8.415 1.00 -0.00 C \nATOM 3799 CG GLN A1098 12.052 26.612 8.981 1.00 -0.06 C \nATOM 3800 CD GLN A1098 11.109 25.498 8.562 1.00 0.70 C \nATOM 3801 OE1 GLN A1098 11.547 24.438 8.120 1.00 -0.61 O \nATOM 3802 NE2 GLN A1098 9.808 25.733 8.703 1.00 -0.94 N \nATOM 3803 HA GLN A1098 12.192 30.069 8.537 1.00 0.09 H \nATOM 3804 HB2 GLN A1098 10.680 28.254 8.820 1.00 0.02 H \nATOM 3805 HB3 GLN A1098 11.601 27.894 7.320 1.00 0.02 H \nATOM 3806 HG2 GLN A1098 13.064 26.363 8.630 1.00 0.04 H \nATOM 3807 HG3 GLN A1098 12.050 26.676 10.079 1.00 0.04 H \nATOM 3808 HE22 GLN A1098 9.142 25.034 8.443 1.00 0.43 H \nATOM 3809 HE21 GLN A1098 9.495 26.609 9.070 1.00 0.43 H \nATOM 3810 H GLN A1098 14.068 28.089 7.517 1.00 0.27 H \nATOM 3811 N MET A1099 14.197 28.747 10.627 1.00 -0.42 N \nATOM 3812 CA MET A1099 14.593 28.792 12.029 1.00 -0.02 C \nATOM 3813 C MET A1099 15.125 30.183 12.413 1.00 0.60 C \nATOM 3814 O MET A1099 15.460 30.419 13.579 1.00 -0.57 O \nATOM 3815 CB MET A1099 15.666 27.742 12.323 1.00 0.03 C \nATOM 3816 CG MET A1099 15.276 26.318 11.953 1.00 0.00 C \nATOM 3817 SD MET A1099 13.743 25.746 12.711 1.00 -0.27 S \nATOM 3818 CE MET A1099 14.124 25.823 14.452 1.00 -0.05 C \nATOM 3819 HA MET A1099 13.708 28.573 12.645 1.00 0.09 H \nATOM 3820 HB2 MET A1099 16.571 28.008 11.757 1.00 0.02 H \nATOM 3821 HB3 MET A1099 15.886 27.769 13.400 1.00 0.02 H \nATOM 3822 HG2 MET A1099 15.160 26.266 10.860 1.00 0.04 H \nATOM 3823 HG3 MET A1099 16.088 25.646 12.268 1.00 0.04 H \nATOM 3824 HE1 MET A1099 14.387 26.856 14.725 1.00 0.07 H \nATOM 3825 HE2 MET A1099 13.247 25.502 15.034 1.00 0.07 H \nATOM 3826 HE3 MET A1099 14.973 25.159 14.671 1.00 0.07 H \nATOM 3827 H MET A1099 14.872 28.493 9.934 1.00 0.27 H \nATOM 3828 N THR A1100 15.197 31.095 11.449 1.00 -0.42 N \nATOM 3829 CA THR A1100 15.737 32.441 11.709 1.00 -0.04 C \nATOM 3830 C THR A1100 15.139 33.097 12.967 1.00 0.60 C \nATOM 3831 O THR A1100 15.871 33.497 13.865 1.00 -0.57 O \nATOM 3832 CB THR A1100 15.556 33.367 10.492 1.00 0.37 C \nATOM 3833 OG1 THR A1100 16.299 32.847 9.381 1.00 -0.68 O \nATOM 3834 CG2 THR A1100 16.052 34.778 10.808 1.00 -0.24 C \nATOM 3835 HA THR A1100 16.817 32.327 11.882 1.00 0.10 H \nATOM 3836 HB THR A1100 14.489 33.410 10.229 1.00 0.00 H \nATOM 3837 HG1 THR A1100 16.187 33.418 8.630 1.00 0.41 H \nATOM 3838 HG23 THR A1100 15.197 35.416 11.074 1.00 0.06 H \nATOM 3839 HG21 THR A1100 16.757 34.739 11.652 1.00 0.06 H \nATOM 3840 HG22 THR A1100 16.559 35.195 9.925 1.00 0.06 H \nATOM 3841 H THR A1100 14.879 30.863 10.530 1.00 0.27 H \nATOM 3842 N VAL A1101 13.812 33.173 13.051 1.00 -0.42 N \nATOM 3843 CA VAL A1101 13.153 33.907 14.143 1.00 -0.09 C \nATOM 3844 C VAL A1101 13.387 33.305 15.525 1.00 0.60 C \nATOM 3845 O VAL A1101 13.575 34.038 16.507 1.00 -0.57 O \nATOM 3846 CB VAL A1101 11.633 34.070 13.876 1.00 0.30 C \nATOM 3847 CG1 VAL A1101 10.892 34.560 15.113 1.00 -0.32 C \nATOM 3848 CG2 VAL A1101 11.406 35.002 12.700 1.00 -0.32 C \nATOM 3849 HA VAL A1101 13.594 34.915 14.156 1.00 0.10 H \nATOM 3850 HB VAL A1101 11.228 33.082 13.612 1.00 -0.03 H \nATOM 3851 HG11 VAL A1101 11.303 35.531 15.426 1.00 0.08 H \nATOM 3852 HG12 VAL A1101 9.823 34.672 14.880 1.00 0.08 H \nATOM 3853 HG13 VAL A1101 11.015 33.831 15.927 1.00 0.08 H \nATOM 3854 HG21 VAL A1101 11.896 34.590 11.805 1.00 0.08 H \nATOM 3855 HG22 VAL A1101 10.326 35.102 12.514 1.00 0.08 H \nATOM 3856 HG23 VAL A1101 11.831 35.990 12.928 1.00 0.08 H \nATOM 3857 H VAL A1101 13.251 32.721 12.357 1.00 0.27 H \nATOM 3858 N THR A1102 13.389 31.977 15.616 1.00 -0.42 N \nATOM 3859 CA THR A1102 13.696 31.329 16.884 1.00 -0.04 C \nATOM 3860 C THR A1102 15.129 31.623 17.273 1.00 0.60 C \nATOM 3861 O THR A1102 15.415 31.868 18.450 1.00 -0.57 O \nATOM 3862 CB THR A1102 13.495 29.800 16.838 1.00 0.37 C \nATOM 3863 OG1 THR A1102 12.118 29.514 16.578 1.00 -0.68 O \nATOM 3864 CG2 THR A1102 13.885 29.172 18.174 1.00 -0.24 C \nATOM 3865 HA THR A1102 13.026 31.743 17.652 1.00 0.10 H \nATOM 3866 HB THR A1102 14.119 29.374 16.038 1.00 0.00 H \nATOM 3867 HG1 THR A1102 11.990 28.573 16.549 1.00 0.41 H \nATOM 3868 HG23 THR A1102 14.905 28.765 18.104 1.00 0.06 H \nATOM 3869 HG21 THR A1102 13.848 29.937 18.963 1.00 0.06 H \nATOM 3870 HG22 THR A1102 13.183 28.361 18.417 1.00 0.06 H \nATOM 3871 H THR A1102 13.179 31.422 14.811 1.00 0.27 H \nATOM 3872 N ARG A1103 16.012 31.599 16.277 1.00 -0.35 N \nATOM 3873 CA ARG A1103 17.413 31.965 16.462 1.00 -0.26 C \nATOM 3874 C ARG A1103 17.489 33.421 16.963 1.00 0.73 C \nATOM 3875 O ARG A1103 18.197 33.733 17.921 1.00 -0.59 O \nATOM 3876 CB ARG A1103 18.178 31.800 15.139 1.00 -0.00 C \nATOM 3877 CG ARG A1103 19.444 30.956 15.215 1.00 0.04 C \nATOM 3878 CD ARG A1103 19.159 29.511 15.602 1.00 0.05 C \nATOM 3879 NE ARG A1103 19.927 28.558 14.789 1.00 -0.53 N \nATOM 3880 CZ ARG A1103 20.836 27.681 15.231 1.00 0.81 C \nATOM 3881 NH1 ARG A1103 21.437 26.880 14.356 1.00 -0.86 N \nATOM 3882 NH2 ARG A1103 21.152 27.572 16.521 1.00 -0.86 N \nATOM 3883 HA ARG A1103 17.863 31.303 17.216 1.00 0.16 H \nATOM 3884 HB2 ARG A1103 17.500 31.329 14.412 1.00 0.03 H \nATOM 3885 HB3 ARG A1103 18.459 32.802 14.783 1.00 0.03 H \nATOM 3886 HG2 ARG A1103 19.935 30.967 14.231 1.00 0.03 H \nATOM 3887 HG3 ARG A1103 20.117 31.396 15.966 1.00 0.03 H \nATOM 3888 HD2 ARG A1103 19.424 29.369 16.660 1.00 0.07 H \nATOM 3889 HD3 ARG A1103 18.086 29.312 15.463 1.00 0.07 H \nATOM 3890 HE ARG A1103 19.747 28.566 13.775 1.00 0.35 H \nATOM 3891 HH12 ARG A1103 22.139 26.199 14.679 1.00 0.45 H \nATOM 3892 HH11 ARG A1103 21.200 26.941 13.355 1.00 0.45 H \nATOM 3893 HH22 ARG A1103 21.857 26.884 16.822 1.00 0.45 H \nATOM 3894 HH21 ARG A1103 20.691 28.175 17.217 1.00 0.45 H \nATOM 3895 H ARG A1103 15.704 31.320 15.368 1.00 0.27 H \nATOM 3896 N LEU A1104 16.739 34.310 16.318 1.00 -0.42 N \nATOM 3897 CA LEU A1104 16.641 35.702 16.778 1.00 -0.05 C \nATOM 3898 C LEU A1104 16.137 35.781 18.218 1.00 0.60 C \nATOM 3899 O LEU A1104 16.764 36.431 19.051 1.00 -0.57 O \nATOM 3900 CB LEU A1104 15.745 36.515 15.843 1.00 -0.11 C \nATOM 3901 CG LEU A1104 15.432 37.968 16.210 1.00 0.35 C \nATOM 3902 CD1 LEU A1104 16.702 38.803 16.304 1.00 -0.41 C \nATOM 3903 CD2 LEU A1104 14.483 38.539 15.167 1.00 -0.41 C \nATOM 3904 HA LEU A1104 17.650 36.140 16.749 1.00 0.09 H \nATOM 3905 HB2 LEU A1104 16.232 36.527 14.857 1.00 0.05 H \nATOM 3906 HB3 LEU A1104 14.784 35.984 15.771 1.00 0.05 H \nATOM 3907 HG LEU A1104 14.934 37.985 17.191 1.00 -0.04 H \nATOM 3908 HD21 LEU A1104 13.559 37.942 15.146 1.00 0.10 H \nATOM 3909 HD22 LEU A1104 14.240 39.581 15.423 1.00 0.10 H \nATOM 3910 HD23 LEU A1104 14.963 38.507 14.178 1.00 0.10 H \nATOM 3911 HD11 LEU A1104 17.226 38.784 15.337 1.00 0.10 H \nATOM 3912 HD12 LEU A1104 16.441 39.841 16.559 1.00 0.10 H \nATOM 3913 HD13 LEU A1104 17.357 38.388 17.084 1.00 0.10 H \nATOM 3914 H LEU A1104 16.232 34.026 15.504 1.00 0.27 H \nATOM 3915 N VAL A1105 15.032 35.096 18.515 1.00 -0.42 N \nATOM 3916 CA VAL A1105 14.419 35.159 19.843 1.00 -0.09 C \nATOM 3917 C VAL A1105 15.390 34.721 20.934 1.00 0.60 C \nATOM 3918 O VAL A1105 15.466 35.337 21.994 1.00 -0.57 O \nATOM 3919 CB VAL A1105 13.131 34.297 19.934 1.00 0.30 C \nATOM 3920 CG1 VAL A1105 12.669 34.169 21.379 1.00 -0.32 C \nATOM 3921 CG2 VAL A1105 12.024 34.890 19.076 1.00 -0.32 C \nATOM 3922 HA VAL A1105 14.142 36.207 20.031 1.00 0.10 H \nATOM 3923 HB VAL A1105 13.362 33.291 19.554 1.00 -0.03 H \nATOM 3924 HG11 VAL A1105 12.467 35.169 21.789 1.00 0.08 H \nATOM 3925 HG12 VAL A1105 11.751 33.564 21.418 1.00 0.08 H \nATOM 3926 HG13 VAL A1105 13.455 33.681 21.974 1.00 0.08 H \nATOM 3927 HG21 VAL A1105 12.357 34.936 18.029 1.00 0.08 H \nATOM 3928 HG22 VAL A1105 11.126 34.258 19.148 1.00 0.08 H \nATOM 3929 HG23 VAL A1105 11.788 35.904 19.431 1.00 0.08 H \nATOM 3930 H VAL A1105 14.611 34.524 17.811 1.00 0.27 H \nATOM 3931 N ASN A1106 16.127 33.650 20.670 1.00 -0.42 N \nATOM 3932 CA ASN A1106 17.118 33.154 21.624 1.00 0.01 C \nATOM 3933 C ASN A1106 18.247 34.149 21.867 1.00 0.60 C \nATOM 3934 O ASN A1106 18.658 34.353 23.008 1.00 -0.57 O \nATOM 3935 CB ASN A1106 17.690 31.805 21.163 1.00 -0.20 C \nATOM 3936 CG ASN A1106 17.031 30.622 21.852 1.00 0.71 C \nATOM 3937 OD1 ASN A1106 15.890 30.699 22.334 1.00 -0.59 O \nATOM 3938 ND2 ASN A1106 17.752 29.517 21.910 1.00 -0.92 N \nATOM 3939 HA ASN A1106 16.603 32.995 22.583 1.00 0.10 H \nATOM 3940 HB2 ASN A1106 17.537 31.710 20.078 1.00 0.08 H \nATOM 3941 HB3 ASN A1106 18.767 31.786 21.384 1.00 0.08 H \nATOM 3942 HD22 ASN A1106 17.380 28.700 22.350 1.00 0.42 H \nATOM 3943 HD21 ASN A1106 18.670 29.498 21.514 1.00 0.42 H \nATOM 3944 H ASN A1106 16.002 33.172 19.801 1.00 0.27 H \nATOM 3945 N THR A1107 18.734 34.774 20.797 1.00 -0.42 N \nATOM 3946 CA THR A1107 19.778 35.798 20.918 1.00 -0.04 C \nATOM 3947 C THR A1107 19.328 36.919 21.847 1.00 0.60 C \nATOM 3948 O THR A1107 20.061 37.316 22.754 1.00 -0.57 O \nATOM 3949 CB THR A1107 20.139 36.392 19.554 1.00 0.37 C \nATOM 3950 OG1 THR A1107 20.421 35.336 18.637 1.00 -0.68 O \nATOM 3951 CG2 THR A1107 21.350 37.280 19.654 1.00 -0.24 C \nATOM 3952 HA THR A1107 20.676 35.326 21.343 1.00 0.10 H \nATOM 3953 HB THR A1107 19.288 36.982 19.184 1.00 0.00 H \nATOM 3954 HG1 THR A1107 20.645 35.703 17.790 1.00 0.41 H \nATOM 3955 HG23 THR A1107 21.030 38.331 19.718 1.00 0.06 H \nATOM 3956 HG21 THR A1107 21.925 37.017 20.554 1.00 0.06 H \nATOM 3957 HG22 THR A1107 21.980 37.142 18.763 1.00 0.06 H \nATOM 3958 H THR A1107 18.381 34.540 19.891 1.00 0.27 H \nATOM 3959 N LEU A1108 18.105 37.399 21.635 1.00 -0.42 N \nATOM 3960 CA LEU A1108 17.552 38.476 22.447 1.00 -0.05 C \nATOM 3961 C LEU A1108 17.357 38.032 23.887 1.00 0.60 C \nATOM 3962 O LEU A1108 17.573 38.816 24.805 1.00 -0.57 O \nATOM 3963 CB LEU A1108 16.233 38.982 21.857 1.00 -0.11 C \nATOM 3964 CG LEU A1108 16.339 39.654 20.483 1.00 0.35 C \nATOM 3965 CD1 LEU A1108 14.962 39.807 19.856 1.00 -0.41 C \nATOM 3966 CD2 LEU A1108 17.025 41.011 20.594 1.00 -0.41 C \nATOM 3967 HA LEU A1108 18.271 39.309 22.442 1.00 0.09 H \nATOM 3968 HB2 LEU A1108 15.552 38.123 21.763 1.00 0.05 H \nATOM 3969 HB3 LEU A1108 15.806 39.713 22.559 1.00 0.05 H \nATOM 3970 HG LEU A1108 16.948 39.011 19.830 1.00 -0.04 H \nATOM 3971 HD21 LEU A1108 18.034 40.879 21.012 1.00 0.10 H \nATOM 3972 HD22 LEU A1108 17.098 41.468 19.596 1.00 0.10 H \nATOM 3973 HD23 LEU A1108 16.438 41.666 21.255 1.00 0.10 H \nATOM 3974 HD11 LEU A1108 14.326 40.418 20.513 1.00 0.10 H \nATOM 3975 HD12 LEU A1108 15.057 40.299 18.877 1.00 0.10 H \nATOM 3976 HD13 LEU A1108 14.507 38.814 19.724 1.00 0.10 H \nATOM 3977 H LEU A1108 17.551 37.011 20.899 1.00 0.27 H \nATOM 3978 N LYS A1109 16.958 36.773 24.078 1.00 -0.35 N \nATOM 3979 CA LYS A1109 16.817 36.198 25.421 1.00 -0.24 C \nATOM 3980 C LYS A1109 18.141 36.168 26.181 1.00 0.73 C \nATOM 3981 O LYS A1109 18.180 36.462 27.378 1.00 -0.59 O \nATOM 3982 CB LYS A1109 16.245 34.775 25.358 1.00 -0.01 C \nATOM 3983 CG LYS A1109 14.730 34.706 25.449 1.00 0.02 C \nATOM 3984 CD LYS A1109 14.251 33.262 25.433 1.00 -0.05 C \nATOM 3985 CE LYS A1109 12.738 33.173 25.323 1.00 -0.01 C \nATOM 3986 NZ LYS A1109 12.297 31.798 24.965 1.00 -0.39 N \nATOM 3987 HA LYS A1109 16.114 36.830 25.983 1.00 0.14 H \nATOM 3988 HB2 LYS A1109 16.554 34.321 24.405 1.00 0.04 H \nATOM 3989 HB3 LYS A1109 16.667 34.197 26.193 1.00 0.04 H \nATOM 3990 HG2 LYS A1109 14.403 35.184 26.384 1.00 0.01 H \nATOM 3991 HG3 LYS A1109 14.293 35.240 24.592 1.00 0.01 H \nATOM 3992 HD2 LYS A1109 14.702 32.746 24.572 1.00 0.06 H \nATOM 3993 HD3 LYS A1109 14.570 32.770 26.364 1.00 0.06 H \nATOM 3994 HE2 LYS A1109 12.292 33.451 26.290 1.00 0.11 H \nATOM 3995 HE3 LYS A1109 12.394 33.872 24.546 1.00 0.11 H \nATOM 3996 HZ1 LYS A1109 12.612 31.150 25.670 1.00 0.34 H \nATOM 3997 HZ2 LYS A1109 11.291 31.772 24.910 1.00 0.34 H \nATOM 3998 HZ3 LYS A1109 12.689 31.541 24.073 1.00 0.34 H \nATOM 3999 H LYS A1109 16.749 36.204 23.282 1.00 0.27 H \nATOM 4000 N GLU A1110 19.215 35.811 25.479 1.00 -0.52 N \nATOM 4001 CA GLU A1110 20.564 35.796 26.060 1.00 0.04 C \nATOM 4002 C GLU A1110 21.016 37.185 26.501 1.00 0.54 C \nATOM 4003 O GLU A1110 21.870 37.313 27.375 1.00 -0.58 O \nATOM 4004 CB GLU A1110 21.566 35.224 25.054 1.00 0.06 C \nATOM 4005 CG GLU A1110 21.368 33.742 24.775 1.00 0.01 C \nATOM 4006 CD GLU A1110 22.038 33.269 23.500 1.00 0.81 C \nATOM 4007 OE1 GLU A1110 22.469 34.113 22.689 1.00 -0.82 O \nATOM 4008 OE2 GLU A1110 22.131 32.038 23.306 1.00 -0.82 O \nATOM 4009 HA GLU A1110 20.546 35.144 26.946 1.00 0.11 H \nATOM 4010 HB2 GLU A1110 21.461 35.774 24.107 1.00 -0.02 H \nATOM 4011 HB3 GLU A1110 22.581 35.371 25.452 1.00 -0.02 H \nATOM 4012 HG2 GLU A1110 21.783 33.171 25.618 1.00 -0.04 H \nATOM 4013 HG3 GLU A1110 20.289 33.545 24.694 1.00 -0.04 H \nATOM 4014 H GLU A1110 19.099 35.544 24.522 1.00 0.29 H \nATOM 4015 N GLY A1111 20.440 38.217 25.890 1.00 -0.42 N \nATOM 4016 CA GLY A1111 20.728 39.602 26.246 1.00 -0.03 C \nATOM 4017 C GLY A1111 21.518 40.342 25.181 1.00 0.60 C \nATOM 4018 O GLY A1111 21.940 41.472 25.404 1.00 -0.57 O \nATOM 4019 HA3 GLY A1111 19.775 40.128 26.403 1.00 0.07 H \nATOM 4020 HA2 GLY A1111 21.309 39.609 27.180 1.00 0.07 H \nATOM 4021 H GLY A1111 19.784 38.036 25.158 1.00 0.27 H \nATOM 4022 N LYS A1112 21.719 39.703 24.030 1.00 -0.35 N \nATOM 4023 CA LYS A1112 22.459 40.292 22.919 1.00 -0.24 C \nATOM 4024 C LYS A1112 21.622 41.339 22.186 1.00 0.73 C \nATOM 4025 O LYS A1112 20.436 41.128 21.902 1.00 -0.59 O \nATOM 4026 CB LYS A1112 22.891 39.209 21.930 1.00 -0.01 C \nATOM 4027 CG LYS A1112 23.783 38.133 22.533 1.00 0.02 C \nATOM 4028 CD LYS A1112 24.147 37.070 21.508 1.00 -0.05 C \nATOM 4029 CE LYS A1112 25.018 35.989 22.124 1.00 -0.01 C \nATOM 4030 NZ LYS A1112 26.303 36.547 22.619 1.00 -0.39 N \nATOM 4031 HA LYS A1112 23.358 40.781 23.322 1.00 0.14 H \nATOM 4032 HB2 LYS A1112 21.987 38.725 21.532 1.00 0.04 H \nATOM 4033 HB3 LYS A1112 23.440 39.692 21.108 1.00 0.04 H \nATOM 4034 HG2 LYS A1112 24.706 38.601 22.905 1.00 0.01 H \nATOM 4035 HG3 LYS A1112 23.251 37.656 23.369 1.00 0.01 H \nATOM 4036 HD2 LYS A1112 23.224 36.611 21.123 1.00 0.06 H \nATOM 4037 HD3 LYS A1112 24.694 37.543 20.679 1.00 0.06 H \nATOM 4038 HE2 LYS A1112 24.478 35.531 22.966 1.00 0.11 H \nATOM 4039 HE3 LYS A1112 25.230 35.223 21.364 1.00 0.11 H \nATOM 4040 HZ1 LYS A1112 26.117 37.254 23.313 1.00 0.34 H \nATOM 4041 HZ2 LYS A1112 26.854 35.809 23.030 1.00 0.34 H \nATOM 4042 HZ3 LYS A1112 26.810 36.956 21.850 1.00 0.34 H \nATOM 4043 H LYS A1112 21.347 38.781 23.923 1.00 0.27 H \nATOM 4044 N ARG A1113 22.251 42.465 21.875 1.00 -0.35 N \nATOM 4045 CA ARG A1113 21.576 43.546 21.168 1.00 -0.26 C \nATOM 4046 C ARG A1113 22.452 44.065 20.045 1.00 0.73 C \nATOM 4047 O ARG A1113 23.643 43.742 19.975 1.00 -0.59 O \nATOM 4048 CB ARG A1113 21.246 44.678 22.133 1.00 -0.00 C \nATOM 4049 CG ARG A1113 20.322 44.303 23.284 1.00 0.04 C \nATOM 4050 CD ARG A1113 18.913 43.966 22.828 1.00 0.05 C \nATOM 4051 NE ARG A1113 18.009 43.777 23.975 1.00 -0.53 N \nATOM 4052 CZ ARG A1113 17.807 42.618 24.606 1.00 0.81 C \nATOM 4053 NH1 ARG A1113 18.451 41.516 24.237 1.00 -0.86 N \nATOM 4054 NH2 ARG A1113 16.958 42.561 25.626 1.00 -0.86 N \nATOM 4055 HA ARG A1113 20.640 43.159 20.739 1.00 0.16 H \nATOM 4056 HB2 ARG A1113 22.190 45.046 22.561 1.00 0.03 H \nATOM 4057 HB3 ARG A1113 20.765 45.484 21.560 1.00 0.03 H \nATOM 4058 HG2 ARG A1113 20.742 43.427 23.800 1.00 0.03 H \nATOM 4059 HG3 ARG A1113 20.271 45.151 23.983 1.00 0.03 H \nATOM 4060 HD2 ARG A1113 18.532 44.788 22.204 1.00 0.07 H \nATOM 4061 HD3 ARG A1113 18.940 43.039 22.237 1.00 0.07 H \nATOM 4062 HE ARG A1113 17.494 44.601 24.316 1.00 0.35 H \nATOM 4063 HH12 ARG A1113 18.283 40.630 24.735 1.00 0.45 H \nATOM 4064 HH11 ARG A1113 19.118 41.548 23.453 1.00 0.45 H \nATOM 4065 HH22 ARG A1113 16.800 41.668 26.115 1.00 0.45 H \nATOM 4066 HH21 ARG A1113 16.458 43.409 25.928 1.00 0.45 H \nATOM 4067 H ARG A1113 23.211 42.575 22.132 1.00 0.27 H \nATOM 4068 N LEU A1114 21.865 44.872 19.163 1.00 -0.42 N \nATOM 4069 CA LEU A1114 22.642 45.550 18.136 1.00 -0.05 C \nATOM 4070 C LEU A1114 23.728 46.398 18.812 1.00 0.60 C \nATOM 4071 O LEU A1114 23.475 47.020 19.855 1.00 -0.57 O \nATOM 4072 CB LEU A1114 21.758 46.448 17.265 1.00 -0.11 C \nATOM 4073 CG LEU A1114 20.773 45.766 16.315 1.00 0.35 C \nATOM 4074 CD1 LEU A1114 19.780 46.783 15.782 1.00 -0.41 C \nATOM 4075 CD2 LEU A1114 21.493 45.084 15.168 1.00 -0.41 C \nATOM 4076 HA LEU A1114 23.119 44.795 17.494 1.00 0.09 H \nATOM 4077 HB2 LEU A1114 21.173 47.089 17.941 1.00 0.05 H \nATOM 4078 HB3 LEU A1114 22.425 47.073 16.654 1.00 0.05 H \nATOM 4079 HG LEU A1114 20.221 45.000 16.880 1.00 -0.04 H \nATOM 4080 HD21 LEU A1114 22.186 44.329 15.567 1.00 0.10 H \nATOM 4081 HD22 LEU A1114 20.757 44.596 14.511 1.00 0.10 H \nATOM 4082 HD23 LEU A1114 22.058 45.832 14.593 1.00 0.10 H \nATOM 4083 HD11 LEU A1114 20.321 47.578 15.248 1.00 0.10 H \nATOM 4084 HD12 LEU A1114 19.082 46.287 15.092 1.00 0.10 H \nATOM 4085 HD13 LEU A1114 19.218 47.221 16.620 1.00 0.10 H \nATOM 4086 H LEU A1114 20.876 45.014 19.207 1.00 0.27 H \nATOM 4087 N PRO A1115 24.934 46.422 18.227 1.00 -0.25 N \nATOM 4088 CA PRO A1115 26.037 47.159 18.828 1.00 -0.03 C \nATOM 4089 C PRO A1115 25.913 48.675 18.633 1.00 0.59 C \nATOM 4090 O PRO A1115 25.079 49.150 17.852 1.00 -0.57 O \nATOM 4091 CB PRO A1115 27.251 46.633 18.060 1.00 -0.01 C \nATOM 4092 CG PRO A1115 26.717 46.359 16.692 1.00 0.02 C \nATOM 4093 CD PRO A1115 25.294 45.894 16.896 1.00 0.02 C \nATOM 4094 HA PRO A1115 26.115 46.935 19.902 1.00 0.06 H \nATOM 4095 HD3 PRO A1115 25.236 44.796 16.882 1.00 0.04 H \nATOM 4096 HD2 PRO A1115 24.633 46.306 16.120 1.00 0.04 H \nATOM 4097 HG3 PRO A1115 27.310 45.575 16.198 1.00 0.02 H \nATOM 4098 HG2 PRO A1115 26.738 47.274 16.081 1.00 0.02 H \nATOM 4099 HB2 PRO A1115 28.050 47.389 18.025 1.00 0.03 H \nATOM 4100 HB3 PRO A1115 27.637 45.712 18.521 1.00 0.03 H \nATOM 4101 N CYS A1116 26.756 49.420 19.337 1.00 -0.42 N \nATOM 4102 CA CYS A1116 26.784 50.874 19.233 1.00 0.02 C \nATOM 4103 C CYS A1116 27.215 51.265 17.831 1.00 0.60 C \nATOM 4104 O CYS A1116 28.201 50.742 17.336 1.00 -0.57 O \nATOM 4105 CB CYS A1116 27.760 51.465 20.252 1.00 -0.12 C \nATOM 4106 SG CYS A1116 27.649 53.254 20.410 1.00 -0.31 S \nATOM 4107 HA CYS A1116 25.776 51.270 19.428 1.00 0.11 H \nATOM 4108 HB2 CYS A1116 27.550 51.016 21.234 1.00 0.11 H \nATOM 4109 HB3 CYS A1116 28.783 51.207 19.942 1.00 0.11 H \nATOM 4110 HG CYS A1116 28.317 53.573 21.094 1.00 0.19 H \nATOM 4111 H CYS A1116 27.394 48.968 19.960 1.00 0.27 H \nATOM 4112 N PRO A1117 26.473 52.176 17.175 1.00 -0.25 N \nATOM 4113 CA PRO A1117 26.943 52.628 15.871 1.00 -0.03 C \nATOM 4114 C PRO A1117 28.276 53.363 15.966 1.00 0.59 C \nATOM 4115 O PRO A1117 28.580 53.957 17.015 1.00 -0.57 O \nATOM 4116 CB PRO A1117 25.852 53.603 15.412 1.00 -0.01 C \nATOM 4117 CG PRO A1117 24.644 53.190 16.157 1.00 0.02 C \nATOM 4118 CD PRO A1117 25.127 52.679 17.479 1.00 0.02 C \nATOM 4119 HA PRO A1117 27.038 51.780 15.176 1.00 0.06 H \nATOM 4120 HD3 PRO A1117 24.479 51.871 17.850 1.00 0.04 H \nATOM 4121 HD2 PRO A1117 25.167 53.488 18.223 1.00 0.04 H \nATOM 4122 HG3 PRO A1117 24.112 52.396 15.612 1.00 0.02 H \nATOM 4123 HG2 PRO A1117 23.972 54.049 16.302 1.00 0.02 H \nATOM 4124 HB2 PRO A1117 26.127 54.638 15.661 1.00 0.03 H \nATOM 4125 HB3 PRO A1117 25.687 53.519 14.328 1.00 0.03 H \nATOM 4126 N PRO A1118 29.067 53.329 14.878 1.00 -0.25 N \nATOM 4127 CA PRO A1118 30.288 54.118 14.803 1.00 -0.03 C \nATOM 4128 C PRO A1118 29.997 55.582 15.064 1.00 0.59 C \nATOM 4129 O PRO A1118 29.019 56.136 14.527 1.00 -0.57 O \nATOM 4130 CB PRO A1118 30.752 53.934 13.355 1.00 -0.01 C \nATOM 4131 CG PRO A1118 30.142 52.654 12.911 1.00 0.02 C \nATOM 4132 CD PRO A1118 28.844 52.535 13.656 1.00 0.02 C \nATOM 4133 HA PRO A1118 31.042 53.752 15.515 1.00 0.06 H \nATOM 4134 HD3 PRO A1118 28.629 51.485 13.904 1.00 0.04 H \nATOM 4135 HD2 PRO A1118 28.014 52.949 13.065 1.00 0.04 H \nATOM 4136 HG3 PRO A1118 30.803 51.810 13.157 1.00 0.02 H \nATOM 4137 HG2 PRO A1118 29.960 52.673 11.826 1.00 0.02 H \nATOM 4138 HB2 PRO A1118 30.400 54.767 12.728 1.00 0.03 H \nATOM 4139 HB3 PRO A1118 31.849 53.876 13.306 1.00 0.03 H \nATOM 4140 N ASN A1119 30.832 56.197 15.895 1.00 -0.42 N \nATOM 4141 CA ASN A1119 30.699 57.619 16.212 1.00 0.01 C \nATOM 4142 C ASN A1119 29.466 57.989 17.034 1.00 0.60 C \nATOM 4143 O ASN A1119 29.154 59.168 17.177 1.00 -0.57 O \nATOM 4144 CB ASN A1119 30.722 58.446 14.925 1.00 -0.20 C \nATOM 4145 CG ASN A1119 31.903 58.101 14.044 1.00 0.71 C \nATOM 4146 OD1 ASN A1119 33.042 58.200 14.476 1.00 -0.59 O \nATOM 4147 ND2 ASN A1119 31.635 57.677 12.816 1.00 -0.92 N \nATOM 4148 HA ASN A1119 31.579 57.897 16.811 1.00 0.10 H \nATOM 4149 HB2 ASN A1119 29.795 58.255 14.365 1.00 0.08 H \nATOM 4150 HB3 ASN A1119 30.778 59.512 15.190 1.00 0.08 H \nATOM 4151 HD22 ASN A1119 32.382 57.437 12.196 1.00 0.42 H \nATOM 4152 HD21 ASN A1119 30.686 57.598 12.510 1.00 0.42 H \nATOM 4153 H ASN A1119 31.572 55.673 16.316 1.00 0.27 H \nATOM 4154 N CYS A1120 28.762 57.002 17.576 1.00 -0.42 N \nATOM 4155 CA CYS A1120 27.610 57.292 18.418 1.00 0.02 C \nATOM 4156 C CYS A1120 28.075 57.309 19.866 1.00 0.60 C \nATOM 4157 O CYS A1120 28.536 56.286 20.364 1.00 -0.57 O \nATOM 4158 CB CYS A1120 26.506 56.258 18.239 1.00 -0.12 C \nATOM 4159 SG CYS A1120 25.117 56.467 19.374 1.00 -0.31 S \nATOM 4160 HA CYS A1120 27.211 58.282 18.151 1.00 0.11 H \nATOM 4161 HB2 CYS A1120 26.126 56.332 17.209 1.00 0.11 H \nATOM 4162 HB3 CYS A1120 26.938 55.259 18.400 1.00 0.11 H \nATOM 4163 HG CYS A1120 24.429 55.752 19.198 1.00 0.19 H \nATOM 4164 H CYS A1120 29.025 56.053 17.405 1.00 0.27 H \nATOM 4165 N PRO A1121 27.959 58.468 20.545 1.00 -0.25 N \nATOM 4166 CA PRO A1121 28.373 58.564 21.946 1.00 -0.03 C \nATOM 4167 C PRO A1121 27.607 57.601 22.836 1.00 0.59 C \nATOM 4168 O PRO A1121 26.448 57.285 22.557 1.00 -0.57 O \nATOM 4169 CB PRO A1121 28.043 60.019 22.320 1.00 -0.01 C \nATOM 4170 CG PRO A1121 27.092 60.502 21.295 1.00 0.02 C \nATOM 4171 CD PRO A1121 27.434 59.749 20.044 1.00 0.02 C \nATOM 4172 HA PRO A1121 29.451 58.368 22.044 1.00 0.06 H \nATOM 4173 HD3 PRO A1121 28.196 60.284 19.459 1.00 0.04 H \nATOM 4174 HD2 PRO A1121 26.540 59.591 19.423 1.00 0.04 H \nATOM 4175 HG3 PRO A1121 27.213 61.584 21.138 1.00 0.02 H \nATOM 4176 HG2 PRO A1121 26.057 60.290 21.601 1.00 0.02 H \nATOM 4177 HB2 PRO A1121 27.582 60.061 23.318 1.00 0.03 H \nATOM 4178 HB3 PRO A1121 28.957 60.632 22.312 1.00 0.03 H \nATOM 4179 N ASP A1122 28.233 57.158 23.920 1.00 -0.52 N \nATOM 4180 CA ASP A1122 27.613 56.145 24.768 1.00 0.04 C \nATOM 4181 C ASP A1122 26.305 56.637 25.353 1.00 0.54 C \nATOM 4182 O ASP A1122 25.360 55.857 25.485 1.00 -0.58 O \nATOM 4183 CB ASP A1122 28.548 55.694 25.889 1.00 -0.03 C \nATOM 4184 CG ASP A1122 27.943 54.591 26.732 1.00 0.80 C \nATOM 4185 OD1 ASP A1122 27.754 53.477 26.207 1.00 -0.80 O \nATOM 4186 OD2 ASP A1122 27.628 54.844 27.909 1.00 -0.80 O \nATOM 4187 HA ASP A1122 27.395 55.271 24.137 1.00 0.09 H \nATOM 4188 HB2 ASP A1122 29.484 55.326 25.443 1.00 -0.01 H \nATOM 4189 HB3 ASP A1122 28.765 56.556 26.537 1.00 -0.01 H \nATOM 4190 H ASP A1122 29.134 57.521 24.157 1.00 0.29 H \nATOM 4191 N GLU A1123 26.244 57.920 25.709 1.00 -0.52 N \nATOM 4192 CA GLU A1123 25.025 58.467 26.317 1.00 0.04 C \nATOM 4193 C GLU A1123 23.833 58.341 25.366 1.00 0.54 C \nATOM 4194 O GLU A1123 22.706 58.140 25.799 1.00 -0.58 O \nATOM 4195 CB GLU A1123 25.212 59.910 26.804 1.00 0.06 C \nATOM 4196 CG GLU A1123 25.621 60.935 25.758 1.00 0.01 C \nATOM 4197 CD GLU A1123 27.125 61.073 25.580 1.00 0.81 C \nATOM 4198 OE1 GLU A1123 27.883 60.124 25.903 1.00 -0.82 O \nATOM 4199 OE2 GLU A1123 27.544 62.128 25.073 1.00 -0.82 O \nATOM 4200 HA GLU A1123 24.802 57.855 27.203 1.00 0.11 H \nATOM 4201 HB2 GLU A1123 24.258 60.241 27.240 1.00 -0.02 H \nATOM 4202 HB3 GLU A1123 25.988 59.901 27.583 1.00 -0.02 H \nATOM 4203 HG2 GLU A1123 25.185 60.637 24.793 1.00 -0.04 H \nATOM 4204 HG3 GLU A1123 25.217 61.914 26.057 1.00 -0.04 H \nATOM 4205 H GLU A1123 27.034 58.514 25.561 1.00 0.29 H \nATOM 4206 N VAL A1124 24.089 58.423 24.068 1.00 -0.42 N \nATOM 4207 CA VAL A1124 23.027 58.220 23.089 1.00 -0.09 C \nATOM 4208 C VAL A1124 22.678 56.736 23.032 1.00 0.60 C \nATOM 4209 O VAL A1124 21.506 56.369 23.056 1.00 -0.57 O \nATOM 4210 CB VAL A1124 23.420 58.768 21.705 1.00 0.30 C \nATOM 4211 CG1 VAL A1124 22.410 58.336 20.647 1.00 -0.32 C \nATOM 4212 CG2 VAL A1124 23.527 60.291 21.764 1.00 -0.32 C \nATOM 4213 HA VAL A1124 22.137 58.770 23.427 1.00 0.10 H \nATOM 4214 HB VAL A1124 24.404 58.358 21.432 1.00 -0.03 H \nATOM 4215 HG11 VAL A1124 21.412 58.712 20.917 1.00 0.08 H \nATOM 4216 HG12 VAL A1124 22.704 58.746 19.670 1.00 0.08 H \nATOM 4217 HG13 VAL A1124 22.385 57.238 20.591 1.00 0.08 H \nATOM 4218 HG21 VAL A1124 24.286 60.577 22.507 1.00 0.08 H \nATOM 4219 HG22 VAL A1124 23.818 60.677 20.776 1.00 0.08 H \nATOM 4220 HG23 VAL A1124 22.554 60.716 22.052 1.00 0.08 H \nATOM 4221 H VAL A1124 25.018 58.626 23.757 1.00 0.27 H \nATOM 4222 N TYR A1125 23.710 55.893 23.015 1.00 -0.42 N \nATOM 4223 CA TYR A1125 23.534 54.443 22.977 1.00 -0.00 C \nATOM 4224 C TYR A1125 22.768 53.912 24.184 1.00 0.60 C \nATOM 4225 O TYR A1125 21.985 52.973 24.049 1.00 -0.57 O \nATOM 4226 CB TYR A1125 24.887 53.739 22.870 1.00 -0.02 C \nATOM 4227 CG TYR A1125 24.795 52.236 22.659 1.00 -0.00 C \nATOM 4228 CD1 TYR A1125 24.099 51.705 21.581 1.00 -0.19 C \nATOM 4229 CD2 TYR A1125 25.421 51.351 23.530 1.00 -0.19 C \nATOM 4230 CE1 TYR A1125 24.011 50.329 21.386 1.00 -0.23 C \nATOM 4231 CE2 TYR A1125 25.338 49.979 23.346 1.00 -0.23 C \nATOM 4232 CZ TYR A1125 24.641 49.471 22.267 1.00 0.32 C \nATOM 4233 OH TYR A1125 24.574 48.106 22.067 1.00 -0.56 O \nATOM 4234 HA TYR A1125 22.950 54.202 22.077 1.00 0.09 H \nATOM 4235 HB3 TYR A1125 25.435 54.173 22.021 1.00 0.03 H \nATOM 4236 HB2 TYR A1125 25.446 53.923 23.800 1.00 0.03 H \nATOM 4237 HD2 TYR A1125 25.985 51.741 24.369 1.00 0.17 H \nATOM 4238 HE2 TYR A1125 25.819 49.307 24.047 1.00 0.17 H \nATOM 4239 HE1 TYR A1125 23.451 49.933 20.547 1.00 0.17 H \nATOM 4240 HD1 TYR A1125 23.615 52.374 20.878 1.00 0.17 H \nATOM 4241 HH TYR A1125 24.062 47.925 21.287 1.00 0.40 H \nATOM 4242 H TYR A1125 24.638 56.266 23.029 1.00 0.27 H \nATOM 4243 N GLN A1126 22.977 54.510 25.353 1.00 -0.42 N \nATOM 4244 CA GLN A1126 22.237 54.093 26.548 1.00 -0.00 C \nATOM 4245 C GLN A1126 20.733 54.360 26.402 1.00 0.60 C \nATOM 4246 O GLN A1126 19.921 53.527 26.783 1.00 -0.57 O \nATOM 4247 CB GLN A1126 22.785 54.761 27.814 1.00 -0.00 C \nATOM 4248 CG GLN A1126 24.192 54.341 28.223 1.00 -0.06 C \nATOM 4249 CD GLN A1126 24.414 52.841 28.182 1.00 0.70 C \nATOM 4250 OE1 GLN A1126 23.602 52.068 28.689 1.00 -0.61 O \nATOM 4251 NE2 GLN A1126 25.519 52.424 27.576 1.00 -0.94 N \nATOM 4252 HA GLN A1126 22.374 53.007 26.658 1.00 0.09 H \nATOM 4253 HB2 GLN A1126 22.791 55.848 27.648 1.00 0.02 H \nATOM 4254 HB3 GLN A1126 22.105 54.521 28.645 1.00 0.02 H \nATOM 4255 HG2 GLN A1126 24.910 54.818 27.539 1.00 0.04 H \nATOM 4256 HG3 GLN A1126 24.375 54.692 29.249 1.00 0.04 H \nATOM 4257 HE22 GLN A1126 25.719 51.446 27.518 1.00 0.43 H \nATOM 4258 HE21 GLN A1126 26.152 53.088 27.178 1.00 0.43 H \nATOM 4259 H GLN A1126 23.645 55.251 25.418 1.00 0.27 H \nATOM 4260 N LEU A1127 20.352 55.507 25.842 1.00 -0.42 N \nATOM 4261 CA LEU A1127 18.933 55.757 25.586 1.00 -0.05 C \nATOM 4262 C LEU A1127 18.371 54.694 24.647 1.00 0.60 C \nATOM 4263 O LEU A1127 17.241 54.233 24.809 1.00 -0.57 O \nATOM 4264 CB LEU A1127 18.708 57.152 24.996 1.00 -0.11 C \nATOM 4265 CG LEU A1127 18.938 58.320 25.946 1.00 0.35 C \nATOM 4266 CD1 LEU A1127 19.136 59.607 25.156 1.00 -0.41 C \nATOM 4267 CD2 LEU A1127 17.777 58.454 26.922 1.00 -0.41 C \nATOM 4268 HA LEU A1127 18.395 55.697 26.543 1.00 0.09 H \nATOM 4269 HB2 LEU A1127 19.392 57.272 24.143 1.00 0.05 H \nATOM 4270 HB3 LEU A1127 17.668 57.205 24.642 1.00 0.05 H \nATOM 4271 HG LEU A1127 19.853 58.123 26.524 1.00 -0.04 H \nATOM 4272 HD21 LEU A1127 17.678 57.525 27.503 1.00 0.10 H \nATOM 4273 HD22 LEU A1127 17.967 59.295 27.605 1.00 0.10 H \nATOM 4274 HD23 LEU A1127 16.848 58.638 26.363 1.00 0.10 H \nATOM 4275 HD11 LEU A1127 18.244 59.801 24.542 1.00 0.10 H \nATOM 4276 HD12 LEU A1127 19.291 60.444 25.852 1.00 0.10 H \nATOM 4277 HD13 LEU A1127 20.016 59.505 24.504 1.00 0.10 H \nATOM 4278 H LEU A1127 21.034 56.196 25.597 1.00 0.27 H \nATOM 4279 N MET A1128 19.171 54.295 23.674 1.00 -0.42 N \nATOM 4280 CA MET A1128 18.761 53.271 22.718 1.00 -0.02 C \nATOM 4281 C MET A1128 18.542 51.932 23.429 1.00 0.60 C \nATOM 4282 O MET A1128 17.540 51.264 23.195 1.00 -0.57 O \nATOM 4283 CB MET A1128 19.816 53.161 21.603 1.00 0.03 C \nATOM 4284 CG MET A1128 19.491 52.204 20.463 1.00 0.00 C \nATOM 4285 SD MET A1128 20.863 52.058 19.280 1.00 -0.27 S \nATOM 4286 CE MET A1128 21.253 53.777 19.031 1.00 -0.05 C \nATOM 4287 HA MET A1128 17.807 53.577 22.263 1.00 0.09 H \nATOM 4288 HB2 MET A1128 19.954 54.163 21.171 1.00 0.02 H \nATOM 4289 HB3 MET A1128 20.758 52.827 22.063 1.00 0.02 H \nATOM 4290 HG2 MET A1128 19.278 51.210 20.884 1.00 0.04 H \nATOM 4291 HG3 MET A1128 18.602 52.575 19.931 1.00 0.04 H \nATOM 4292 HE1 MET A1128 21.530 54.233 19.993 1.00 0.07 H \nATOM 4293 HE2 MET A1128 22.094 53.864 18.328 1.00 0.07 H \nATOM 4294 HE3 MET A1128 20.375 54.296 18.618 1.00 0.07 H \nATOM 4295 H MET A1128 20.079 54.705 23.591 1.00 0.27 H \nATOM 4296 N ARG A1129 19.463 51.560 24.316 1.00 -0.35 N \nATOM 4297 CA ARG A1129 19.364 50.292 25.051 1.00 -0.26 C \nATOM 4298 C ARG A1129 18.136 50.215 25.975 1.00 0.73 C \nATOM 4299 O ARG A1129 17.573 49.139 26.166 1.00 -0.59 O \nATOM 4300 CB ARG A1129 20.646 50.013 25.850 1.00 -0.00 C \nATOM 4301 CG ARG A1129 21.881 49.696 25.005 1.00 0.04 C \nATOM 4302 CD ARG A1129 21.786 48.320 24.352 1.00 0.05 C \nATOM 4303 NE ARG A1129 21.991 47.217 25.303 1.00 -0.53 N \nATOM 4304 CZ ARG A1129 22.998 46.336 25.275 1.00 0.81 C \nATOM 4305 NH1 ARG A1129 23.946 46.386 24.343 1.00 -0.86 N \nATOM 4306 NH2 ARG A1129 23.061 45.389 26.201 1.00 -0.86 N \nATOM 4307 HA ARG A1129 19.258 49.494 24.302 1.00 0.16 H \nATOM 4308 HB2 ARG A1129 20.868 50.902 26.459 1.00 0.03 H \nATOM 4309 HB3 ARG A1129 20.456 49.154 26.511 1.00 0.03 H \nATOM 4310 HG2 ARG A1129 21.978 50.458 24.217 1.00 0.03 H \nATOM 4311 HG3 ARG A1129 22.771 49.722 25.652 1.00 0.03 H \nATOM 4312 HD2 ARG A1129 20.788 48.214 23.902 1.00 0.07 H \nATOM 4313 HD3 ARG A1129 22.552 48.252 23.566 1.00 0.07 H \nATOM 4314 HE ARG A1129 21.298 47.113 26.058 1.00 0.35 H \nATOM 4315 HH12 ARG A1129 24.709 45.694 24.347 1.00 0.45 H \nATOM 4316 HH11 ARG A1129 23.917 47.117 23.618 1.00 0.45 H \nATOM 4317 HH22 ARG A1129 23.832 44.706 26.188 1.00 0.45 H \nATOM 4318 HH21 ARG A1129 22.339 45.336 26.933 1.00 0.45 H \nATOM 4319 H ARG A1129 20.244 52.161 24.487 1.00 0.27 H \nATOM 4320 N LYS A1130 17.724 51.346 26.538 1.00 -0.35 N \nATOM 4321 CA LYS A1130 16.489 51.402 27.333 1.00 -0.24 C \nATOM 4322 C LYS A1130 15.230 51.054 26.535 1.00 0.73 C \nATOM 4323 O LYS A1130 14.230 50.627 27.115 1.00 -0.59 O \nATOM 4324 CB LYS A1130 16.323 52.770 27.966 1.00 -0.01 C \nATOM 4325 CG LYS A1130 17.402 53.109 28.981 1.00 0.02 C \nATOM 4326 CD LYS A1130 16.982 54.282 29.851 1.00 -0.05 C \nATOM 4327 CE LYS A1130 18.172 55.074 30.374 1.00 -0.01 C \nATOM 4328 NZ LYS A1130 19.229 54.209 30.962 1.00 -0.39 N \nATOM 4329 HA LYS A1130 16.585 50.661 28.140 1.00 0.14 H \nATOM 4330 HB2 LYS A1130 16.347 53.527 27.168 1.00 0.04 H \nATOM 4331 HB3 LYS A1130 15.347 52.802 28.473 1.00 0.04 H \nATOM 4332 HG2 LYS A1130 17.582 52.233 29.621 1.00 0.01 H \nATOM 4333 HG3 LYS A1130 18.328 53.370 28.448 1.00 0.01 H \nATOM 4334 HD2 LYS A1130 16.346 54.953 29.256 1.00 0.06 H \nATOM 4335 HD3 LYS A1130 16.409 53.898 30.708 1.00 0.06 H \nATOM 4336 HE2 LYS A1130 18.608 55.644 29.540 1.00 0.11 H \nATOM 4337 HE3 LYS A1130 17.817 55.770 31.148 1.00 0.11 H \nATOM 4338 HZ1 LYS A1130 19.563 53.564 30.263 1.00 0.34 H \nATOM 4339 HZ2 LYS A1130 19.993 54.783 31.282 1.00 0.34 H \nATOM 4340 HZ3 LYS A1130 18.847 53.694 31.740 1.00 0.34 H \nATOM 4341 H LYS A1130 18.266 52.178 26.418 1.00 0.27 H \nATOM 4342 N CYS A1131 15.281 51.243 25.216 1.00 -0.42 N \nATOM 4343 CA CYS A1131 14.207 50.812 24.317 1.00 0.02 C \nATOM 4344 C CYS A1131 14.120 49.308 24.216 1.00 0.60 C \nATOM 4345 O CYS A1131 13.088 48.776 23.828 1.00 -0.57 O \nATOM 4346 CB CYS A1131 14.429 51.365 22.914 1.00 -0.12 C \nATOM 4347 SG CYS A1131 14.365 53.157 22.866 1.00 -0.31 S \nATOM 4348 HA CYS A1131 13.254 51.197 24.709 1.00 0.11 H \nATOM 4349 HB2 CYS A1131 15.417 51.037 22.557 1.00 0.11 H \nATOM 4350 HB3 CYS A1131 13.648 50.966 22.250 1.00 0.11 H \nATOM 4351 HG CYS A1131 14.517 53.473 21.921 1.00 0.19 H \nATOM 4352 H CYS A1131 16.082 51.696 24.826 1.00 0.27 H \nATOM 4353 N TRP A1132 15.206 48.630 24.564 1.00 -0.42 N \nATOM 4354 CA TRP A1132 15.342 47.211 24.322 1.00 -0.03 C \nATOM 4355 C TRP A1132 15.426 46.367 25.572 1.00 0.60 C \nATOM 4356 O TRP A1132 16.044 45.303 25.567 1.00 -0.57 O \nATOM 4357 CB TRP A1132 16.573 46.969 23.479 1.00 -0.01 C \nATOM 4358 CG TRP A1132 16.577 47.628 22.129 1.00 -0.14 C \nATOM 4359 CD1 TRP A1132 15.496 47.918 21.315 1.00 -0.16 C \nATOM 4360 CD2 TRP A1132 17.750 48.007 21.355 1.00 0.12 C \nATOM 4361 NE1 TRP A1132 15.913 48.470 20.133 1.00 -0.34 N \nATOM 4362 CE2 TRP A1132 17.255 48.555 20.099 1.00 0.14 C \nATOM 4363 CE3 TRP A1132 19.110 47.983 21.586 1.00 -0.24 C \nATOM 4364 CZ2 TRP A1132 18.107 49.036 19.125 1.00 -0.26 C \nATOM 4365 CZ3 TRP A1132 19.963 48.475 20.597 1.00 -0.20 C \nATOM 4366 CH2 TRP A1132 19.468 48.992 19.398 1.00 -0.11 C \nATOM 4367 HA TRP A1132 14.457 46.883 23.757 1.00 0.11 H \nATOM 4368 HB2 TRP A1132 17.444 47.340 24.039 1.00 0.03 H \nATOM 4369 HB3 TRP A1132 16.670 45.884 23.326 1.00 0.03 H \nATOM 4370 HE1 TRP A1132 15.286 48.777 19.376 1.00 0.34 H \nATOM 4371 HD1 TRP A1132 14.456 47.733 21.578 1.00 0.21 H \nATOM 4372 HZ2 TRP A1132 17.730 49.431 18.188 1.00 0.16 H \nATOM 4373 HH2 TRP A1132 20.166 49.370 18.659 1.00 0.14 H \nATOM 4374 HZ3 TRP A1132 21.034 48.455 20.763 1.00 0.14 H \nATOM 4375 HE3 TRP A1132 19.507 47.591 22.515 1.00 0.17 H \nATOM 4376 H TRP A1132 15.957 49.118 25.009 1.00 0.27 H \nATOM 4377 N GLU A1133 14.821 46.832 26.658 1.00 -0.52 N \nATOM 4378 CA GLU A1133 14.608 45.979 27.821 1.00 0.04 C \nATOM 4379 C GLU A1133 13.733 44.816 27.378 1.00 0.54 C \nATOM 4380 O GLU A1133 12.728 45.020 26.696 1.00 -0.58 O \nATOM 4381 CB GLU A1133 13.930 46.756 28.951 1.00 0.06 C \nATOM 4382 CG GLU A1133 14.899 47.492 29.857 1.00 0.01 C \nATOM 4383 CD GLU A1133 15.790 46.555 30.660 1.00 0.81 C \nATOM 4384 OE1 GLU A1133 15.456 45.355 30.802 1.00 -0.82 O \nATOM 4385 OE2 GLU A1133 16.832 47.022 31.158 1.00 -0.82 O \nATOM 4386 HA GLU A1133 15.575 45.598 28.180 1.00 0.11 H \nATOM 4387 HB2 GLU A1133 13.246 47.492 28.504 1.00 -0.02 H \nATOM 4388 HB3 GLU A1133 13.354 46.046 29.563 1.00 -0.02 H \nATOM 4389 HG2 GLU A1133 15.538 48.137 29.236 1.00 -0.04 H \nATOM 4390 HG3 GLU A1133 14.321 48.113 30.558 1.00 -0.04 H \nATOM 4391 H GLU A1133 14.507 47.781 26.679 1.00 0.29 H \nATOM 4392 N PHE A1134 14.125 43.596 27.733 1.00 -0.42 N \nATOM 4393 CA PHE A1134 13.423 42.410 27.251 1.00 -0.00 C \nATOM 4394 C PHE A1134 11.929 42.456 27.598 1.00 0.60 C \nATOM 4395 O PHE A1134 11.094 42.061 26.785 1.00 -0.57 O \nATOM 4396 CB PHE A1134 14.071 41.121 27.790 1.00 -0.03 C \nATOM 4397 CG PHE A1134 13.571 39.884 27.115 1.00 0.01 C \nATOM 4398 CD1 PHE A1134 14.195 39.406 25.978 1.00 -0.13 C \nATOM 4399 CD2 PHE A1134 12.451 39.222 27.590 1.00 -0.13 C \nATOM 4400 CE1 PHE A1134 13.721 38.283 25.334 1.00 -0.17 C \nATOM 4401 CE2 PHE A1134 11.972 38.095 26.954 1.00 -0.17 C \nATOM 4402 CZ PHE A1134 12.607 37.624 25.822 1.00 -0.11 C \nATOM 4403 HA PHE A1134 13.510 42.395 26.155 1.00 0.10 H \nATOM 4404 HB2 PHE A1134 15.159 41.187 27.639 1.00 0.03 H \nATOM 4405 HB3 PHE A1134 13.854 41.044 28.866 1.00 0.03 H \nATOM 4406 HD2 PHE A1134 11.944 39.594 28.473 1.00 0.13 H \nATOM 4407 HE2 PHE A1134 11.100 37.581 27.342 1.00 0.14 H \nATOM 4408 HZ PHE A1134 12.234 36.740 25.317 1.00 0.13 H \nATOM 4409 HE1 PHE A1134 14.221 37.916 24.445 1.00 0.14 H \nATOM 4410 HD1 PHE A1134 15.066 39.920 25.589 1.00 0.13 H \nATOM 4411 H PHE A1134 14.913 43.489 28.340 1.00 0.27 H \nATOM 4412 N GLN A1135 11.611 42.962 28.789 1.00 -0.42 N \nATOM 4413 CA GLN A1135 10.237 43.072 29.281 1.00 -0.00 C \nATOM 4414 C GLN A1135 9.592 44.425 28.947 1.00 0.60 C \nATOM 4415 O GLN A1135 10.141 45.473 29.291 1.00 -0.57 O \nATOM 4416 CB GLN A1135 10.213 42.871 30.803 1.00 -0.00 C \nATOM 4417 CG GLN A1135 10.604 41.465 31.244 1.00 -0.06 C \nATOM 4418 CD GLN A1135 9.582 40.413 30.840 1.00 0.70 C \nATOM 4419 OE1 GLN A1135 8.374 40.661 30.855 1.00 -0.61 O \nATOM 4420 NE2 GLN A1135 10.065 39.232 30.471 1.00 -0.94 N \nATOM 4421 HA GLN A1135 9.640 42.279 28.808 1.00 0.09 H \nATOM 4422 HB2 GLN A1135 10.915 43.585 31.258 1.00 0.02 H \nATOM 4423 HB3 GLN A1135 9.195 43.077 31.164 1.00 0.02 H \nATOM 4424 HG2 GLN A1135 11.571 41.209 30.786 1.00 0.04 H \nATOM 4425 HG3 GLN A1135 10.703 41.455 32.339 1.00 0.04 H \nATOM 4426 HE22 GLN A1135 9.441 38.501 30.195 1.00 0.43 H \nATOM 4427 HE21 GLN A1135 11.052 39.074 30.469 1.00 0.43 H \nATOM 4428 H GLN A1135 12.352 43.284 29.379 1.00 0.27 H \nATOM 4429 N PRO A1136 8.411 44.407 28.302 1.00 -0.25 N \nATOM 4430 CA PRO A1136 7.714 45.622 27.880 1.00 -0.03 C \nATOM 4431 C PRO A1136 7.579 46.653 28.986 1.00 0.59 C \nATOM 4432 O PRO A1136 7.788 47.856 28.759 1.00 -0.57 O \nATOM 4433 CB PRO A1136 6.336 45.104 27.478 1.00 -0.01 C \nATOM 4434 CG PRO A1136 6.584 43.714 27.021 1.00 0.02 C \nATOM 4435 CD PRO A1136 7.729 43.194 27.821 1.00 0.02 C \nATOM 4436 HA PRO A1136 8.229 46.081 27.023 1.00 0.06 H \nATOM 4437 HD3 PRO A1136 8.402 42.591 27.194 1.00 0.04 H \nATOM 4438 HD2 PRO A1136 7.371 42.586 28.665 1.00 0.04 H \nATOM 4439 HG3 PRO A1136 6.836 43.707 25.950 1.00 0.02 H \nATOM 4440 HG2 PRO A1136 5.691 43.095 27.191 1.00 0.02 H \nATOM 4441 HB2 PRO A1136 5.650 45.115 28.338 1.00 0.03 H \nATOM 4442 HB3 PRO A1136 5.914 45.712 26.664 1.00 0.03 H \nATOM 4443 N SER A1137 7.241 46.177 30.177 1.00 -0.42 N \nATOM 4444 CA SER A1137 7.035 47.043 31.330 1.00 -0.02 C \nATOM 4445 C SER A1137 8.309 47.753 31.791 1.00 0.60 C \nATOM 4446 O SER A1137 8.237 48.800 32.441 1.00 -0.57 O \nATOM 4447 CB SER A1137 6.434 46.237 32.491 1.00 0.21 C \nATOM 4448 OG SER A1137 7.077 44.979 32.614 1.00 -0.65 O \nATOM 4449 HA SER A1137 6.311 47.818 31.038 1.00 0.08 H \nATOM 4450 HB2 SER A1137 6.562 46.801 33.427 1.00 0.04 H \nATOM 4451 HB3 SER A1137 5.362 46.078 32.303 1.00 0.04 H \nATOM 4452 HG SER A1137 6.692 44.496 33.336 1.00 0.43 H \nATOM 4453 H SER A1137 7.124 45.190 30.287 1.00 0.27 H \nATOM 4454 N ASN A1138 9.469 47.190 31.466 1.00 -0.42 N \nATOM 4455 CA ASN A1138 10.749 47.803 31.845 1.00 0.01 C \nATOM 4456 C ASN A1138 11.331 48.826 30.847 1.00 0.60 C \nATOM 4457 O ASN A1138 12.364 49.443 31.123 1.00 -0.57 O \nATOM 4458 CB ASN A1138 11.788 46.709 32.115 1.00 -0.20 C \nATOM 4459 CG ASN A1138 11.459 45.880 33.342 1.00 0.71 C \nATOM 4460 OD1 ASN A1138 10.691 46.298 34.213 1.00 -0.59 O \nATOM 4461 ND2 ASN A1138 12.050 44.700 33.419 1.00 -0.92 N \nATOM 4462 HA ASN A1138 10.573 48.344 32.786 1.00 0.10 H \nATOM 4463 HB2 ASN A1138 11.832 46.042 31.241 1.00 0.08 H \nATOM 4464 HB3 ASN A1138 12.769 47.184 32.264 1.00 0.08 H \nATOM 4465 HD22 ASN A1138 11.876 44.104 34.203 1.00 0.42 H \nATOM 4466 HD21 ASN A1138 12.671 44.404 32.693 1.00 0.42 H \nATOM 4467 H ASN A1138 9.470 46.332 30.953 1.00 0.27 H \nATOM 4468 N ARG A1139 10.674 49.018 29.709 1.00 -0.35 N \nATOM 4469 CA ARG A1139 11.196 49.917 28.676 1.00 -0.26 C \nATOM 4470 C ARG A1139 10.903 51.368 28.988 1.00 0.73 C \nATOM 4471 O ARG A1139 9.979 51.700 29.736 1.00 -0.59 O \nATOM 4472 CB ARG A1139 10.639 49.567 27.297 1.00 -0.00 C \nATOM 4473 CG ARG A1139 11.207 48.282 26.736 1.00 0.04 C \nATOM 4474 CD ARG A1139 10.476 47.843 25.480 1.00 0.05 C \nATOM 4475 NE ARG A1139 10.598 46.406 25.318 1.00 -0.53 N \nATOM 4476 CZ ARG A1139 9.713 45.624 24.712 1.00 0.81 C \nATOM 4477 NH1 ARG A1139 8.616 46.137 24.171 1.00 -0.86 N \nATOM 4478 NH2 ARG A1139 9.933 44.314 24.648 1.00 -0.86 N \nATOM 4479 HA ARG A1139 12.288 49.790 28.645 1.00 0.16 H \nATOM 4480 HB2 ARG A1139 9.547 49.462 27.377 1.00 0.03 H \nATOM 4481 HB3 ARG A1139 10.878 50.387 26.604 1.00 0.03 H \nATOM 4482 HG2 ARG A1139 12.269 48.438 26.494 1.00 0.03 H \nATOM 4483 HG3 ARG A1139 11.116 47.491 27.495 1.00 0.03 H \nATOM 4484 HD2 ARG A1139 9.413 48.112 25.563 1.00 0.07 H \nATOM 4485 HD3 ARG A1139 10.915 48.348 24.607 1.00 0.07 H \nATOM 4486 HE ARG A1139 11.440 45.956 25.705 1.00 0.35 H \nATOM 4487 HH12 ARG A1139 7.936 45.521 23.703 1.00 0.45 H \nATOM 4488 HH11 ARG A1139 8.444 47.151 24.219 1.00 0.45 H \nATOM 4489 HH22 ARG A1139 9.252 43.700 24.180 1.00 0.45 H \nATOM 4490 HH21 ARG A1139 10.785 43.914 25.067 1.00 0.45 H \nATOM 4491 H ARG A1139 9.809 48.541 29.554 1.00 0.27 H \nATOM 4492 N THR A1140 11.723 52.233 28.412 1.00 -0.42 N \nATOM 4493 CA THR A1140 11.506 53.659 28.497 1.00 -0.04 C \nATOM 4494 C THR A1140 10.234 53.993 27.723 1.00 0.60 C \nATOM 4495 O THR A1140 9.735 53.169 26.948 1.00 -0.57 O \nATOM 4496 CB THR A1140 12.719 54.427 27.931 1.00 0.37 C \nATOM 4497 OG1 THR A1140 12.551 55.833 28.135 1.00 -0.68 O \nATOM 4498 CG2 THR A1140 12.907 54.143 26.449 1.00 -0.24 C \nATOM 4499 HA THR A1140 11.371 53.943 29.551 1.00 0.10 H \nATOM 4500 HB THR A1140 13.621 54.097 28.467 1.00 0.00 H \nATOM 4501 HG1 THR A1140 13.302 56.296 27.783 1.00 0.41 H \nATOM 4502 HG23 THR A1140 13.684 53.375 26.318 1.00 0.06 H \nATOM 4503 HG21 THR A1140 11.960 53.783 26.022 1.00 0.06 H \nATOM 4504 HG22 THR A1140 13.214 55.066 25.935 1.00 0.06 H \nATOM 4505 H THR A1140 12.514 51.890 27.905 1.00 0.27 H \nATOM 4506 N SER A1141 9.703 55.183 27.966 1.00 -0.42 N \nATOM 4507 CA SER A1141 8.544 55.688 27.247 1.00 -0.02 C \nATOM 4508 C SER A1141 9.016 56.666 26.186 1.00 0.60 C \nATOM 4509 O SER A1141 10.174 57.099 26.204 1.00 -0.57 O \nATOM 4510 CB SER A1141 7.627 56.433 28.204 1.00 0.21 C \nATOM 4511 OG SER A1141 8.272 57.610 28.677 1.00 -0.65 O \nATOM 4512 HA SER A1141 8.001 54.853 26.780 1.00 0.08 H \nATOM 4513 HB2 SER A1141 6.701 56.711 27.680 1.00 0.04 H \nATOM 4514 HB3 SER A1141 7.384 55.782 29.057 1.00 0.04 H \nATOM 4515 HG SER A1141 7.694 58.070 29.274 1.00 0.43 H \nATOM 4516 H SER A1141 10.116 55.757 28.673 1.00 0.27 H \nATOM 4517 N PHE A1142 8.111 57.065 25.301 1.00 -0.42 N \nATOM 4518 CA PHE A1142 8.448 58.071 24.304 1.00 -0.00 C \nATOM 4519 C PHE A1142 8.681 59.430 24.951 1.00 0.60 C \nATOM 4520 O PHE A1142 9.597 60.155 24.572 1.00 -0.57 O \nATOM 4521 CB PHE A1142 7.385 58.138 23.208 1.00 -0.03 C \nATOM 4522 CG PHE A1142 7.502 57.035 22.194 1.00 0.01 C \nATOM 4523 CD1 PHE A1142 8.639 56.932 21.406 1.00 -0.13 C \nATOM 4524 CD2 PHE A1142 6.476 56.119 22.003 1.00 -0.13 C \nATOM 4525 CE1 PHE A1142 8.769 55.935 20.469 1.00 -0.17 C \nATOM 4526 CE2 PHE A1142 6.595 55.123 21.048 1.00 -0.17 C \nATOM 4527 CZ PHE A1142 7.748 55.022 20.289 1.00 -0.11 C \nATOM 4528 HA PHE A1142 9.392 57.765 23.830 1.00 0.10 H \nATOM 4529 HB2 PHE A1142 6.393 58.074 23.680 1.00 0.03 H \nATOM 4530 HB3 PHE A1142 7.482 59.102 22.687 1.00 0.03 H \nATOM 4531 HD2 PHE A1142 5.577 56.184 22.605 1.00 0.13 H \nATOM 4532 HE2 PHE A1142 5.783 54.421 20.895 1.00 0.14 H \nATOM 4533 HZ PHE A1142 7.849 54.230 19.556 1.00 0.13 H \nATOM 4534 HE1 PHE A1142 9.671 55.865 19.872 1.00 0.14 H \nATOM 4535 HD1 PHE A1142 9.440 57.651 21.532 1.00 0.13 H \nATOM 4536 H PHE A1142 7.192 56.672 25.319 1.00 0.27 H \nATOM 4537 N GLN A1143 7.877 59.775 25.951 1.00 -0.42 N \nATOM 4538 CA GLN A1143 8.093 61.033 26.651 1.00 -0.00 C \nATOM 4539 C GLN A1143 9.457 61.104 27.337 1.00 0.60 C \nATOM 4540 O GLN A1143 10.102 62.152 27.320 1.00 -0.57 O \nATOM 4541 CB GLN A1143 6.954 61.315 27.648 1.00 -0.00 C \nATOM 4542 CG GLN A1143 5.793 62.089 27.028 1.00 -0.06 C \nATOM 4543 CD GLN A1143 6.227 63.413 26.407 1.00 0.70 C \nATOM 4544 OE1 GLN A1143 5.778 63.779 25.317 1.00 -0.61 O \nATOM 4545 NE2 GLN A1143 7.115 64.131 27.095 1.00 -0.94 N \nATOM 4546 HA GLN A1143 8.072 61.831 25.894 1.00 0.09 H \nATOM 4547 HB2 GLN A1143 6.573 60.354 28.025 1.00 0.02 H \nATOM 4548 HB3 GLN A1143 7.359 61.903 28.485 1.00 0.02 H \nATOM 4549 HG2 GLN A1143 5.335 61.467 26.245 1.00 0.04 H \nATOM 4550 HG3 GLN A1143 5.050 62.296 27.813 1.00 0.04 H \nATOM 4551 HE22 GLN A1143 7.435 65.008 26.736 1.00 0.43 H \nATOM 4552 HE21 GLN A1143 7.461 63.793 27.970 1.00 0.43 H \nATOM 4553 H GLN A1143 7.126 59.173 26.222 1.00 0.27 H \nATOM 4554 N ASN A1144 9.896 59.997 27.930 1.00 -0.42 N \nATOM 4555 CA ASN A1144 11.208 59.958 28.595 1.00 0.01 C \nATOM 4556 C ASN A1144 12.362 60.032 27.585 1.00 0.60 C \nATOM 4557 O ASN A1144 13.400 60.653 27.851 1.00 -0.57 O \nATOM 4558 CB ASN A1144 11.329 58.690 29.437 1.00 -0.20 C \nATOM 4559 CG ASN A1144 12.539 58.696 30.362 1.00 0.71 C \nATOM 4560 OD1 ASN A1144 13.216 57.677 30.507 1.00 -0.59 O \nATOM 4561 ND2 ASN A1144 12.805 59.831 31.008 1.00 -0.92 N \nATOM 4562 HA ASN A1144 11.280 60.829 29.263 1.00 0.10 H \nATOM 4563 HB2 ASN A1144 10.421 58.590 30.050 1.00 0.08 H \nATOM 4564 HB3 ASN A1144 11.411 57.827 28.760 1.00 0.08 H \nATOM 4565 HD22 ASN A1144 13.589 59.882 31.626 1.00 0.42 H \nATOM 4566 HD21 ASN A1144 12.220 60.631 30.875 1.00 0.42 H \nATOM 4567 H ASN A1144 9.324 59.177 27.924 1.00 0.27 H \nATOM 4568 N LEU A1145 12.171 59.416 26.418 1.00 -0.42 N \nATOM 4569 CA LEU A1145 13.164 59.512 25.347 1.00 -0.05 C \nATOM 4570 C LEU A1145 13.320 60.972 24.932 1.00 0.60 C \nATOM 4571 O LEU A1145 14.444 61.480 24.821 1.00 -0.57 O \nATOM 4572 CB LEU A1145 12.775 58.639 24.155 1.00 -0.11 C \nATOM 4573 CG LEU A1145 13.066 57.141 24.272 1.00 0.35 C \nATOM 4574 CD1 LEU A1145 12.263 56.372 23.237 1.00 -0.41 C \nATOM 4575 CD2 LEU A1145 14.559 56.857 24.126 1.00 -0.41 C \nATOM 4576 HA LEU A1145 14.130 59.154 25.733 1.00 0.09 H \nATOM 4577 HB2 LEU A1145 11.693 58.756 23.996 1.00 0.05 H \nATOM 4578 HB3 LEU A1145 13.318 59.016 23.276 1.00 0.05 H \nATOM 4579 HG LEU A1145 12.751 56.806 25.271 1.00 -0.04 H \nATOM 4580 HD21 LEU A1145 15.113 57.393 24.911 1.00 0.10 H \nATOM 4581 HD22 LEU A1145 14.738 55.776 24.225 1.00 0.10 H \nATOM 4582 HD23 LEU A1145 14.902 57.197 23.138 1.00 0.10 H \nATOM 4583 HD11 LEU A1145 12.531 56.723 22.230 1.00 0.10 H \nATOM 4584 HD12 LEU A1145 12.487 55.298 23.323 1.00 0.10 H \nATOM 4585 HD13 LEU A1145 11.189 56.537 23.409 1.00 0.10 H \nATOM 4586 H LEU A1145 11.338 58.881 26.273 1.00 0.27 H \nATOM 4587 N ILE A1146 12.188 61.650 24.736 1.00 -0.42 N \nATOM 4588 CA ILE A1146 12.179 63.068 24.379 1.00 -0.06 C \nATOM 4589 C ILE A1146 12.978 63.865 25.417 1.00 0.60 C \nATOM 4590 O ILE A1146 13.875 64.626 25.065 1.00 -0.57 O \nATOM 4591 CB ILE A1146 10.737 63.608 24.245 1.00 0.13 C \nATOM 4592 CG1 ILE A1146 10.061 62.997 23.014 1.00 -0.04 C \nATOM 4593 CG2 ILE A1146 10.729 65.128 24.129 1.00 -0.32 C \nATOM 4594 CD1 ILE A1146 8.561 63.178 22.972 1.00 -0.07 C \nATOM 4595 HA ILE A1146 12.674 63.180 23.403 1.00 0.09 H \nATOM 4596 HB ILE A1146 10.170 63.320 25.143 1.00 0.02 H \nATOM 4597 HG12 ILE A1146 10.490 63.467 22.117 1.00 0.02 H \nATOM 4598 HG13 ILE A1146 10.278 61.919 23.002 1.00 0.02 H \nATOM 4599 HD11 ILE A1146 8.321 64.251 22.981 1.00 0.02 H \nATOM 4600 HD12 ILE A1146 8.162 62.720 22.055 1.00 0.02 H \nATOM 4601 HD13 ILE A1146 8.109 62.694 23.850 1.00 0.02 H \nATOM 4602 HG21 ILE A1146 11.311 65.431 23.246 1.00 0.09 H \nATOM 4603 HG22 ILE A1146 9.693 65.482 24.025 1.00 0.09 H \nATOM 4604 HG23 ILE A1146 11.178 65.567 25.032 1.00 0.09 H \nATOM 4605 H ILE A1146 11.315 61.172 24.837 1.00 0.27 H \nATOM 4606 N GLU A1147 12.684 63.651 26.698 1.00 -0.52 N \nATOM 4607 CA GLU A1147 13.437 64.317 27.763 1.00 0.04 C \nATOM 4608 C GLU A1147 14.932 64.061 27.623 1.00 0.54 C \nATOM 4609 O GLU A1147 15.731 64.993 27.658 1.00 -0.58 O \nATOM 4610 CB GLU A1147 12.972 63.853 29.146 1.00 0.06 C \nATOM 4611 CG GLU A1147 11.599 64.373 29.542 1.00 0.01 C \nATOM 4612 CD GLU A1147 11.298 64.213 31.028 1.00 0.81 C \nATOM 4613 OE1 GLU A1147 12.144 63.663 31.777 1.00 -0.82 O \nATOM 4614 OE2 GLU A1147 10.206 64.650 31.451 1.00 -0.82 O \nATOM 4615 HA GLU A1147 13.260 65.399 27.681 1.00 0.11 H \nATOM 4616 HB2 GLU A1147 12.940 62.753 29.150 1.00 -0.02 H \nATOM 4617 HB3 GLU A1147 13.702 64.201 29.891 1.00 -0.02 H \nATOM 4618 HG2 GLU A1147 11.544 65.442 29.288 1.00 -0.04 H \nATOM 4619 HG3 GLU A1147 10.839 63.821 28.971 1.00 -0.04 H \nATOM 4620 H GLU A1147 11.939 63.027 26.936 1.00 0.29 H \nATOM 4621 N GLY A1148 15.289 62.792 27.449 1.00 -0.42 N \nATOM 4622 CA GLY A1148 16.673 62.378 27.309 1.00 -0.03 C \nATOM 4623 C GLY A1148 17.371 63.070 26.162 1.00 0.60 C \nATOM 4624 O GLY A1148 18.434 63.656 26.347 1.00 -0.57 O \nATOM 4625 HA3 GLY A1148 17.208 62.614 28.241 1.00 0.07 H \nATOM 4626 HA2 GLY A1148 16.700 61.292 27.135 1.00 0.07 H \nATOM 4627 H GLY A1148 14.574 62.094 27.413 1.00 0.27 H \nATOM 4628 N PHE A1149 16.776 63.016 24.971 1.00 -0.42 N \nATOM 4629 CA PHE A1149 17.390 63.663 23.806 1.00 -0.00 C \nATOM 4630 C PHE A1149 17.526 65.165 24.019 1.00 0.60 C \nATOM 4631 O PHE A1149 18.557 65.751 23.720 1.00 -0.57 O \nATOM 4632 CB PHE A1149 16.574 63.393 22.539 1.00 -0.03 C \nATOM 4633 CG PHE A1149 16.598 61.962 22.100 1.00 0.01 C \nATOM 4634 CD1 PHE A1149 17.800 61.281 21.964 1.00 -0.13 C \nATOM 4635 CD2 PHE A1149 15.427 61.298 21.805 1.00 -0.13 C \nATOM 4636 CE1 PHE A1149 17.827 59.957 21.564 1.00 -0.17 C \nATOM 4637 CE2 PHE A1149 15.447 59.968 21.406 1.00 -0.17 C \nATOM 4638 CZ PHE A1149 16.650 59.297 21.293 1.00 -0.11 C \nATOM 4639 HA PHE A1149 18.396 63.239 23.669 1.00 0.10 H \nATOM 4640 HB2 PHE A1149 15.530 63.680 22.731 1.00 0.03 H \nATOM 4641 HB3 PHE A1149 16.980 64.012 21.726 1.00 0.03 H \nATOM 4642 HD2 PHE A1149 14.480 61.820 21.885 1.00 0.13 H \nATOM 4643 HE2 PHE A1149 14.518 59.456 21.183 1.00 0.14 H \nATOM 4644 HZ PHE A1149 16.666 58.256 20.992 1.00 0.13 H \nATOM 4645 HE1 PHE A1149 18.774 59.440 21.464 1.00 0.14 H \nATOM 4646 HD1 PHE A1149 18.731 61.794 22.174 1.00 0.13 H \nATOM 4647 H PHE A1149 15.907 62.532 24.871 1.00 0.27 H \nATOM 4648 N GLU A1150 16.471 65.781 24.540 1.00 -0.52 N \nATOM 4649 CA GLU A1150 16.466 67.222 24.745 1.00 0.04 C \nATOM 4650 C GLU A1150 17.586 67.613 25.708 1.00 0.54 C \nATOM 4651 O GLU A1150 18.284 68.605 25.486 1.00 -0.58 O \nATOM 4652 CB GLU A1150 15.085 67.704 25.216 1.00 0.06 C \nATOM 4653 CG GLU A1150 14.095 67.864 24.063 1.00 0.01 C \nATOM 4654 CD GLU A1150 12.678 68.183 24.510 1.00 0.81 C \nATOM 4655 OE1 GLU A1150 12.397 68.112 25.727 1.00 -0.82 O \nATOM 4656 OE2 GLU A1150 11.837 68.496 23.633 1.00 -0.82 O \nATOM 4657 HA GLU A1150 16.673 67.705 23.778 1.00 0.11 H \nATOM 4658 HB2 GLU A1150 14.680 66.971 25.929 1.00 -0.02 H \nATOM 4659 HB3 GLU A1150 15.203 68.676 25.717 1.00 -0.02 H \nATOM 4660 HG2 GLU A1150 14.446 68.681 23.415 1.00 -0.04 H \nATOM 4661 HG3 GLU A1150 14.075 66.925 23.491 1.00 -0.04 H \nATOM 4662 H GLU A1150 15.666 65.246 24.796 1.00 0.29 H \nATOM 4663 N ALA A1151 17.795 66.792 26.736 1.00 -0.42 N \nATOM 4664 CA ALA A1151 18.881 67.005 27.682 1.00 0.03 C \nATOM 4665 C ALA A1151 20.242 66.966 26.979 1.00 0.60 C \nATOM 4666 O ALA A1151 21.153 67.711 27.327 1.00 -0.57 O \nATOM 4667 CB ALA A1151 18.823 65.971 28.794 1.00 -0.18 C \nATOM 4668 HA ALA A1151 18.756 68.002 28.130 1.00 0.08 H \nATOM 4669 HB1 ALA A1151 19.649 66.145 29.500 1.00 0.06 H \nATOM 4670 HB2 ALA A1151 17.863 66.056 29.324 1.00 0.06 H \nATOM 4671 HB3 ALA A1151 18.915 64.963 28.363 1.00 0.06 H \nATOM 4672 H ALA A1151 17.189 66.007 26.862 1.00 0.27 H \nATOM 4673 N LEU A1152 20.370 66.108 25.974 1.00 -0.42 N \nATOM 4674 CA LEU A1152 21.614 65.999 25.233 1.00 -0.05 C \nATOM 4675 C LEU A1152 21.795 67.125 24.225 1.00 0.60 C \nATOM 4676 O LEU A1152 22.922 67.457 23.890 1.00 -0.57 O \nATOM 4677 CB LEU A1152 21.700 64.648 24.524 1.00 -0.11 C \nATOM 4678 CG LEU A1152 21.824 63.436 25.448 1.00 0.35 C \nATOM 4679 CD1 LEU A1152 21.920 62.174 24.605 1.00 -0.41 C \nATOM 4680 CD2 LEU A1152 23.021 63.557 26.389 1.00 -0.41 C \nATOM 4681 HA LEU A1152 22.440 66.060 25.957 1.00 0.09 H \nATOM 4682 HB2 LEU A1152 20.790 64.523 23.918 1.00 0.05 H \nATOM 4683 HB3 LEU A1152 22.580 64.665 23.865 1.00 0.05 H \nATOM 4684 HG LEU A1152 20.914 63.376 26.063 1.00 -0.04 H \nATOM 4685 HD21 LEU A1152 22.912 64.461 27.006 1.00 0.10 H \nATOM 4686 HD22 LEU A1152 23.066 62.672 27.040 1.00 0.10 H \nATOM 4687 HD23 LEU A1152 23.946 63.625 25.798 1.00 0.10 H \nATOM 4688 HD11 LEU A1152 22.799 62.239 23.947 1.00 0.10 H \nATOM 4689 HD12 LEU A1152 22.020 61.299 25.264 1.00 0.10 H \nATOM 4690 HD13 LEU A1152 21.011 62.071 23.994 1.00 0.10 H \nATOM 4691 H LEU A1152 19.596 65.527 25.723 1.00 0.27 H \nATOM 4692 N LEU A1153 20.691 67.704 23.757 1.00 -0.42 N \nATOM 4693 CA LEU A1153 20.727 68.835 22.838 1.00 -0.05 C \nATOM 4694 C LEU A1153 21.045 70.189 23.508 1.00 0.60 C \nATOM 4695 O LEU A1153 21.585 71.073 22.862 1.00 -0.57 O \nATOM 4696 CB LEU A1153 19.395 68.937 22.086 1.00 -0.11 C \nATOM 4697 CG LEU A1153 19.153 67.847 21.033 1.00 0.35 C \nATOM 4698 CD1 LEU A1153 17.706 67.834 20.582 1.00 -0.41 C \nATOM 4699 CD2 LEU A1153 20.091 68.028 19.856 1.00 -0.41 C \nATOM 4700 HA LEU A1153 21.523 68.636 22.105 1.00 0.09 H \nATOM 4701 HB2 LEU A1153 18.582 68.882 22.825 1.00 0.05 H \nATOM 4702 HB3 LEU A1153 19.365 69.913 21.579 1.00 0.05 H \nATOM 4703 HG LEU A1153 19.371 66.873 21.495 1.00 -0.04 H \nATOM 4704 HD21 LEU A1153 21.133 67.974 20.205 1.00 0.10 H \nATOM 4705 HD22 LEU A1153 19.910 67.233 19.117 1.00 0.10 H \nATOM 4706 HD23 LEU A1153 19.911 69.008 19.391 1.00 0.10 H \nATOM 4707 HD11 LEU A1153 17.447 68.813 20.152 1.00 0.10 H \nATOM 4708 HD12 LEU A1153 17.566 67.051 19.822 1.00 0.10 H \nATOM 4709 HD13 LEU A1153 17.055 67.628 21.444 1.00 0.10 H \nATOM 4710 H LEU A1153 19.802 67.349 24.047 1.00 0.27 H \nATOM 4711 N LYS A1154 20.705 70.345 24.786 1.00 -0.35 N \nATOM 4712 CA LYS A1154 20.879 71.624 25.486 1.00 -0.24 C \nATOM 4713 C LYS A1154 22.297 71.800 26.020 1.00 0.73 C \nATOM 4714 O LYS A1154 23.260 71.290 25.440 1.00 -0.59 O \nATOM 4715 CB LYS A1154 19.872 71.757 26.637 1.00 -0.01 C \nATOM 4716 CG LYS A1154 18.428 71.897 26.173 1.00 0.02 C \nATOM 4717 CD LYS A1154 17.509 72.398 27.279 1.00 -0.05 C \nATOM 4718 CE LYS A1154 17.622 73.906 27.463 1.00 -0.01 C \nATOM 4719 NZ LYS A1154 16.654 74.430 28.466 1.00 -0.39 N \nATOM 4720 HA LYS A1154 20.686 72.431 24.764 1.00 0.14 H \nATOM 4721 HB2 LYS A1154 19.948 70.861 27.271 1.00 0.04 H \nATOM 4722 HB3 LYS A1154 20.135 72.647 27.228 1.00 0.04 H \nATOM 4723 HG2 LYS A1154 18.394 72.609 25.335 1.00 0.01 H \nATOM 4724 HG3 LYS A1154 18.069 70.914 25.834 1.00 0.01 H \nATOM 4725 HD2 LYS A1154 16.470 72.147 27.020 1.00 0.06 H \nATOM 4726 HD3 LYS A1154 17.782 71.902 28.222 1.00 0.06 H \nATOM 4727 HE2 LYS A1154 18.642 74.146 27.798 1.00 0.11 H \nATOM 4728 HE3 LYS A1154 17.429 74.395 26.497 1.00 0.11 H \nATOM 4729 HZ1 LYS A1154 16.820 73.987 29.356 1.00 0.34 H \nATOM 4730 HZ2 LYS A1154 16.773 75.427 28.559 1.00 0.34 H \nATOM 4731 HZ3 LYS A1154 15.714 74.231 28.161 1.00 0.34 H \nATOM 4732 H LYS A1154 20.320 69.568 25.284 1.00 0.27 H \nTER 4733 LYS A1154 \nCONECT 2799 2786 2800 \nCONECT 2800 2799 2801 2803 \nCONECT 2801 2800 2802 2815 \nCONECT 2802 2801 \nCONECT 2803 2800 2804 \nCONECT 2804 2803 2805 2814 \nCONECT 2805 2804 2806 \nCONECT 2806 2805 2807 \nCONECT 2807 2806 2808 2813 \nCONECT 2808 2807 2809 \nCONECT 2809 2808 2810 2811 2812 \nCONECT 2810 2809 \nCONECT 2811 2809 \nCONECT 2812 2809 \nCONECT 2813 2807 2814 \nCONECT 2814 2804 2813 \nCONECT 2815 2801 2816 \nCONECT 2816 2815 2817 2819 \nCONECT 2817 2816 2818 2831 \nCONECT 2818 2817 \nCONECT 2819 2816 2820 \nCONECT 2820 2819 2821 2830 \nCONECT 2821 2820 2822 \nCONECT 2822 2821 2823 \nCONECT 2823 2822 2824 2829 \nCONECT 2824 2823 2825 \nCONECT 2825 2824 2826 2827 2828 \nCONECT 2826 2825 \nCONECT 2827 2825 \nCONECT 2828 2825 \nCONECT 2829 2823 2830 \nCONECT 2830 2820 2829 \nMASTER 0 0 0 0 0 0 0 0 4730 3 32 24 \nEND \n" }, { "path": "data/4ivd_protein.ply", "content": "ply\nformat ascii 1.0\ncomment Generated by PyMesh\nelement vertex 726\nproperty float x\nproperty float y\nproperty float z\nproperty float charge\nproperty float hbond\nproperty float hphob\nproperty float nx\nproperty float ny\nproperty float nz\nproperty float si\nelement face 1296\nproperty list uchar int vertex_indices\nend_header\n3.179 66.652 -0.994 0.0260948 0.354999 2.8 0.0636536 -0.962775 0.262702 -0.163797\n20.127 57.9675 0.127 -0.596303 -0.202691 -3.49623 -0.524459 0.675225 0.518666 0.999904\n-0.9495 68.84 0.6395 1.52184 0.0329208 -3.9 -0.509076 -0.534052 -0.675004 -0.999919\n8.9605 55.67 -9.641 0.138315 -0.0483739 -4.45033 -0.791103 0.602073 0.107998 0.708402\n7.7165 59.439 -2.8255 -0.396841 0 3.8 -0.326875 -0.0904225 -0.940732 0.663865\n12.444 55.3355 1.6825 -1.07127 -0.93529 -3.39196 0.672532 0.621468 0.401843 0.445634\n7.052 47.464 -6.8045 -1.18751 0 -3.5 -0.54959 -0.473041 0.688609 -0.70884\n3.2255 67.3635 -4.856 -0.319485 -0.519784 -3.5 -0.425608 -0.661031 -0.617977 0.624339\n8.614 55.893 -2.32 -0.546676 -0.0139125 3.8 -0.368395 -0.323807 -0.871455 -0.281971\n8.434 57.908 1.974 -0.639728 0 3.8 0.00277981 0.653262 0.757127 -0.617113\n10.2625 54.871 -3.746 -0.88729 -0.529104 3.8 -0.972691 -0.173797 0.15384 -0.764515\n12.2285 61.139 -6.861 0.121712 0 -4.5 -0.984612 -0.169638 -0.0419758 -0.868783\n18.685 58.4365 -5.12 1.23776 0.454557 -3.9 0.172584 0.944803 0.278501 -0.92139\n9.359 54.4085 -1.7945 -1.38489 -0.145104 3.8 -0.396565 -0.109349 -0.911471 -0.999899\n10.8802 69.2845 2.39175 -1.49708 -0.128222 -3.5 0.1815 0.120157 0.976023 -0.999941\n3.605 68.466 -5.944 0.201715 0.376883 -3.5 -0.416512 -0.561913 -0.714683 -0.99993\n-3.374 66.537 3.162 -0.0631983 -0.0461044 -2.5385 0.556027 -0.807958 -0.195031 -0.999945\n-2.734 48.757 -0.55 -0.305514 0 3.37595 -0.0917523 0.071443 -0.993216 0.999906\n11.442 66.271 -5.206 0.103889 0 -1.6 -0.52633 -0.115776 0.842362 -0.999906\n-4.065 51.866 8.124 -0.785166 0 -3.5 0.360944 0.576959 -0.732692 0.999938\n16.9705 55.951 -1.006 -0.315012 0 -3.5 -0.56253 0.720743 0.40508 -0.0771243\n9.892 69.706 2.8035 -1.22416 -0.38076 -3.5 0.227017 -0.0557153 0.972296 0.999934\n7.647 70.402 2.517 -1.3737 -0.387199 -3.5 0.127353 0.199599 0.971566 -0.999924\n11.106 67.977 -2.2295 0.0413272 0 -1.6 -0.658741 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0.276564 0 2.8 0.273971 -0.565039 -0.778249 0.709933\n6.264 41.683 -0.107 -0.821839 0 -3.2 -0.73227 -0.670646 0.118385 -0.999928\n-1.0415 50.495 3.65825 1.65199 -0.025534 -3.88839 0.268629 0.958738 0.0930615 0.698755\n9.396 60.8925 0.0515 -0.528028 0 -0.4 0.775966 0.484831 0.403505 0.685168\n10.4095 57.055 -6.68 0.0813527 0 -4.5 -0.632681 0.619778 -0.464317 0.471811\n2.8925 47.4685 7.3205 -0.753069 0 3.8 -0.356166 -0.122937 0.9263 -0.123865\n-2.263 49.285 6.335 -0.828282 0 -0.4 0.666961 0.373851 0.644514 -0.097054\n0.783 45.1845 6.4235 -0.396052 0 3.8 0.29946 0.377864 0.876095 -0.733902\n12.0255 65.6905 -4.203 0.315445 0 -1.6 -0.838774 0.0303017 0.543636 -0.374288\n-4.1595 50.9572 7.624 -0.621349 0 -3.5 0.205894 0.614817 -0.76132 -0.999926\n8.6405 67.988 -0.318 -0.175361 0 -1.6 0.24929 -0.837444 -0.486355 -0.999855\n9.6665 53.035 4.077 -0.729241 0 -4.5 0.550598 0.268316 0.790473 0.202989\n9.9775 55.672 3.1615 -1.07964 0 -0.8 0.520878 0.250108 0.816169 0.153017\n3.1105 47.1405 1.333 -0.192175 0 -0.4 0.461333 -0.625871 -0.628854 -0.999878\n8.23975 65.4532 -7.07125 0.227603 0 2.66012 -0.96573 -0.144383 0.215683 0.199938\n6.5705 54.842 -2.41275 0.22988 0 3.8 -0.077461 -0.201152 -0.976493 0.99987\n12.551 50.2562 3.85375 0.182282 0 -4.5 -0.552472 0.290672 0.781207 -0.307869\n-2.41575 49.988 -6.25925 -0.314511 -0.923388 -0.8 -0.205214 0.144053 0.968058 0.485076\n19.1825 52.425 1.50375 0.0100481 0 -3.9 -0.237802 -0.108252 0.965263 -0.999916\n12.3162 48.3128 4.64675 0.277337 0 -4.5 -0.622415 0.745973 0.236904 -0.999883\n11.462 62.378 -3.18 -0.796408 -0.279386 -1.6 0.18583 0.976158 0.112176 0.0836915\n-0.42 43.115 -4.0775 -0.162806 0 -3.9 0.368622 0.851135 0.373747 -0.999917\n-1.5225 67.751 3.5505 0.142618 0 -3.9 0.598492 -0.79904 -0.0578182 -0.999922\n2.7275 41.774 -2.788 -0.100954 -0.275083 -3.2 0.0714805 0.451744 0.889279 0.999929\n2.0045 51.8525 0.169 -0.301841 0 -0.265057 -0.716872 0.524957 -0.458819 0.481399\n-4.149 50.489 3.62325 -0.939616 -0.132886 2.43791 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-0.999908\n7.0345 49.4625 0.025 -0.918606 -0.490697 -3.5 -0.205449 -0.606491 -0.768088 -0.46004\n3.178 56.1685 0.253 -0.801378 0 4.2 -0.542431 -0.407504 -0.734649 0.691692\n7.67075 62.2733 -0.74325 -0.393679 -0.267819 3.8 0.0867029 0.984141 0.154757 0.747164\n6.405 55.9445 -2.228 -0.269559 0 3.8 -0.0573379 0.129791 -0.989882 0.440535\n0.546 66.494 -2.8115 -0.356522 -0.626486 -3.5 -0.432664 -0.76834 -0.471651 0.999915\n16.129 60.894 0.168 -0.543431 -0.205583 -1.99366 -0.194155 -0.532861 0.823628 0.999884\n0.26025 67.0543 -0.55425 0.0696232 0 -3.5 -0.651803 -0.675683 0.344392 0.60021\n4.4145 43.5945 -2.7475 -0.591616 -0.340967 -1.70592 -0.804306 0.497846 0.324409 0.643555\n-0.933 48.785 0.842 -0.208176 0 -0.4 0.426729 0.356639 -0.83109 -0.218349\n-1.132 49.705 1.563 -0.178587 0 -3.9 0.180194 0.758003 -0.626867 -0.284568\n8.7865 70.141 2.88 -1.18756 -0.0205041 -3.5 -0.0662631 0.151763 0.986193 0.999927\n17.856 63.014 0.731 -0.425992 0 -1.3 -0.0839241 -0.208575 0.974399 0.999874\n7.1665 44.7605 8.5675 -0.454046 0 -1.6 0.0981228 -0.143716 0.984742 0.99994\n10.573 68.8298 -2.474 -0.0706712 0 -1.6 -0.518923 -0.8439 -0.136202 -0.999897\n7.0515 66.9445 -4.038 -0.182931 0 0.6 0.428028 -0.902439 0.0489502 0.467961\n20.5445 58.263 -3.133 0.862993 0 -3.9 -0.00762636 0.997759 -0.066477 -0.999891\n9.36725 64.4615 -5.7215 0.2305 0 2.8 -0.644061 -0.178802 0.743784 0.528017\n13.9545 53.659 0.0495 -1.84627 -0.649341 -3.5 0.424352 0.905493 -0.00272648 -0.999854\n-1.402 49.965 -6.09 -0.186352 -0.813965 -0.204474 0.241116 0.393653 0.887074 0.999899\n-0.899 51.899 -7.6135 0.255825 0 -2.05399 0.386813 0.393515 0.833979 0.734698\n9.21225 56.5555 3.6335 -0.859626 -0.101835 -2.51682 0.671962 0.359051 0.647727 0.274126\n18.834 62.064 -4.687 1.85123 0.0430409 -3.9 0.382724 -0.916293 0.118025 -0.999914\n3.1065 66.8955 0.0065 -0.139327 0.00877502 0.117372 -0.110061 -0.957123 0.267958 -0.037032\n-3.5335 50.5055 -6.647 0.287958 0 -0.8 -0.133543 0.393184 0.90971 0.999951\n-2.776 50.263 6.114 -0.99885 0 -0.400039 0.397394 0.799793 0.449899 0.540338\n10.1927 60.038 -5.09525 -0.0555664 0.0423615 -4.5 -0.55172 -0.124257 -0.824721 0.654332\n2.7035 49.5173 7.852 -1.0962 0 3.8 -0.154942 0.38154 0.911274 0.999896\n8.9445 65.192 -6.307 0.383993 0 2.8 -0.709907 -0.0560928 0.702058 -0.286763\n5.3415 45.0275 -7.356 1.00826 0.561735 -3.9 -0.699427 0.242633 0.672258 -0.999892\n11.8708 60.0765 -5.7595 0.310679 0.336533 -4.5 -0.759649 0.0787369 -0.645549 -0.352122\n5.1765 46.1985 -7.227 -0.108625 0.0482157 -3.9 -0.339102 -0.0339166 0.940138 0.54916\n3.7885 50.452 6.685 -1.19957 -0.686494 -3.5 -0.044032 0.666789 0.743945 0.273142\n-0.515 49.9473 4.59725 0.288119 0 -0.452923 0.314182 0.813405 0.489554 0.595217\n3.685 51.0887 -1.20475 -0.319798 0 -3.5 -0.0441713 -0.0759111 -0.996136 0.130618\n12.6853 52.9265 3.41325 0.141286 0 -4.5 -0.090839 0.220582 0.971129 0.422982\n5.1705 62.3865 1.4895 -0.688988 0.00620585 3.8 0.116383 0.946715 0.300309 0.999895\n15.586 65.594 0.3015 -0.752439 -0.816244 -0.8 -0.709616 -0.225006 0.667695 0.99991\n-5.12625 50.0732 4.86975 -0.709988 0 -2.97458 -0.526988 0.845237 -0.0886437 0.999929\n-1.30025 44.675 2.43325 -0.247778 0 2.8 -0.00702607 -0.770684 -0.637179 -0.41909\n-1.51975 46.6847 8.5635 -0.582205 0 3.8 0.617183 0.749347 0.239926 0.99992\n16.4842 64.7635 0.5865 -0.182991 0 -1.3 -0.397532 -0.269488 0.877123 0.999931\n-1.89975 50.6413 3.05925 -0.222205 -0.365815 -3.70242 0.176379 0.983954 -0.0269065 0.557932\n8.34525 46.7865 -4.669 -1.33757 -0.299878 -3.5 -0.995062 0.0310574 -0.0942708 -0.404543\n10.738 56.861 -10.1305 0.230589 0 -4.5 -0.681813 0.725041 0.0971923 -0.558392\n19.823 53.441 1.9455 -0.197777 0 -2.69 -0.247661 0.122278 0.9611 0.999941\n7.378 64.063 -9.633 0.492514 0 3.5608 -0.919157 0.100765 0.380784 0.999908\n2.414 55.343 2.071 -1.09873 0 4.2 -0.916754 -0.37717 -0.131549 0.339669\n7.9075 45.0573 -5.479 -1.46369 -0.18241 -3.5 -0.609444 0.770758 -0.18577 -0.999892\n5.08375 49.9183 6.617 -1.64997 -0.320436 -3.5 0.352417 0.195157 0.915268 0.0757712\n2.7945 44.8455 -7.7395 1.20915 0 -3.9 0.117322 -0.0685629 0.990724 -0.999943\n5.9155 44.3555 8.548 -0.621191 0 -1.6 0.0215942 -0.271928 0.962075 0.999931\n14.585 51.668 4.866 0.147476 0 -4.15214 -0.140881 0.983055 -0.117285 0.0862029\n-0.7895 68.5383 3.32125 0.111991 0 -3.9 0.193253 -0.792724 0.578137 -0.999926\n5.022 66.7848 0.314 -1.1331 0 3.35947 0.0891158 -0.969251 -0.229371 -0.0305202\n14.7765 66.612 -0.3165 -0.60228 -0.912548 -0.8 -0.339527 -0.524249 0.780951 -0.999912\n12.3733 58.101 -0.267 -0.398476 -0.247923 -1.94718 0.68564 0.238066 0.687912 0.728425\n7.92325 51.2777 5.0235 -0.678505 -0.0361736 -3.78784 0.242368 0.0411852 0.96931 0.0586287\n18.321 61.0755 -0.997 -0.217563 0 -3.9 0.766562 -0.640873 0.0408092 0.533236\n10.779 59.578 -11.43 0.448505 0 -4.5 -0.599876 0.045307 -0.79881 -0.999972\n2.984 45.4432 7.12475 -0.550273 0 3.8 -0.586955 0.114272 0.801515 -0.35429\n0.44625 68.6592 -2.824 -1.7361 -0.012353 -3.5 -0.88218 0.0817184 -0.463768 0.999945\n9.463 62.1577 -3.947 -0.241031 0 2.8 -0.695324 0.560113 -0.450332 0.999881\n9.15825 50.949 -3.40725 -0.218081 0 -0.4 -0.862995 0.367626 0.34654 -0.716088\n15.7825 51.9515 7.047 -0.038691 -0.138318 -3.5 0.34392 0.929188 0.135384 0.999916\n6.3895 67.2787 -0.849 -1.36361 -0.642553 2.8 0.137536 -0.952747 -0.270844 -0.163981\n4.58 55.6725 -1.141 -0.470707 0 4.2 -0.785366 -0.0270432 -0.618441 0.818869\n8.11 49.9832 -3.918 -0.169188 0 -1.95034 -0.707068 0.152358 0.690537 -0.145645\n-1.62275 68.2753 1.30825 0.668724 0 -3.9 -0.0992117 -0.858188 -0.503657 0.9999\n3.9905 68.9225 5.48625 1.13773 0.121976 -3.9 0.137064 -0.9867 -0.0873928 -0.999969\n16.3668 55.4502 -0.2795 -0.720659 -0.198128 -3.5 -0.502341 0.713379 0.488614 0.910917\n4.57325 44.1527 -3.76125 0.0803816 -0.154313 -2.16881 -0.795305 0.606142 -0.009041 0.650726\n13.448 54.0988 -0.736 -1.53744 -0.0540618 -3.5 0.548457 0.662068 0.510746 -0.99991\n-4.68275 49.999 2.4245 -0.390746 0 3.8 -0.681768 0.683464 -0.2609 0.876818\n6.57125 70.3662 3.09075 -1.68798 -0.708156 -3.5 0.647919 0.192746 0.736919 -0.999922\n3.002 43.3175 1.97175 0.0145949 0.362136 -3.2 0.0738754 -0.210451 -0.974809 -0.262369\n0.6065 49.358 4.786 -0.343893 0 -0.4 -0.139763 0.841049 0.522592 -0.401209\n4.1465 54.5535 3.729 -1.10922 0 -3.5 -0.375428 0.00532159 0.926836 -0.612031\n6.66125 45.7482 8.762 -0.900131 0 -2.54475 0.139796 0.10316 0.984792 0.606787\n13.2257 54.6343 1.513 -0.877544 -0.351942 -2.13353 0.648834 0.746027 0.149863 0.061195\n6.2085 61.8285 1.2805 -0.488925 0.241732 3.8 0.422697 0.80784 0.410758 0.218721\n16.5193 56.1092 -2.17825 -0.198287 0 -3.5 -0.49581 0.523594 0.692836 -0.999874\n17.87 49.932 1.565 0.0917062 0 -3.9 0.415308 0.374719 0.828918 -0.999925\n18.8885 62.14 -2.105 0.0519396 0 -3.9 0.721534 -0.688127 -0.0766154 -0.999885\n18.636 60.099 -6.119 1.97933 0.0447878 -3.9 0.389651 0.000965022 0.920962 -0.999917\n10.3625 61.7645 -9.9565 0.891914 0.474453 -4.5 -0.450715 -0.684514 0.572972 -0.999869\n6.037 50.601 -4.8 -0.503418 0 -0.4 -0.797163 0.217667 0.563162 0.99992\n20.422 58.4082 -0.856 -0.294772 0 -3.9 -0.35963 0.896852 0.257533 0.999912\n17.0195 52.9905 0.8675 -0.164636 0 -3.9 -0.113271 0.277102 0.954141 -0.765231\n17.7905 61.057 -2.804 0.644713 0.442181 -3.9 0.745679 -0.637041 -0.1953 -0.128906\n10.47 48.8242 3.58425 0.265784 0 -4.5 0.124862 0.477329 0.869808 -0.741397\n-0.1325 68.9528 -0.37275 0.943114 0.902051 -3.9 -0.859056 -0.461868 -0.22068 -0.999929\n20.624 58.458 -2.1 0.3371 0 -3.9 -0.132379 0.991139 -0.0108929 0.999901\n6.88 58.3515 -2.041 -0.504818 0 3.8 -0.276624 -0.0846986 -0.957238 -0.247231\n8.6215 53.1403 4.6215 -0.903845 -0.00472069 -3.95544 0.314358 0.215968 0.924412 0.11781\n-0.4405 42.659 -3.0385 -0.541182 -0.660315 -3.36057 0.372156 0.847193 0.379162 -0.999947\n11.0478 57.516 1.4975 -0.270453 0 -0.8 0.64823 0.334391 0.684091 0.653559\n2.613 68.321 -5.358 0.12845 -0.37365 -3.5 -0.488827 -0.619351 -0.614372 0.999923\n1.2225 47.3795 6.811 -0.543402 0 3.8 -0.34432 -0.182101 0.921023 0.314586\n14.179 53.9925 1.3565 -0.983705 -0.694461 -3.5 0.559084 0.826407 0.0669075 0.367672\n4.12875 45.1755 -7.843 1.6265 0.513993 -3.9 -0.144104 -0.102831 0.984205 -0.9999\n7.1855 50.4425 -8.85225 -1.61553 -0.574136 -3.5 -0.621559 0.673969 -0.399287 -0.999938\n7.734 67.6085 -7.3195 -1.02816 -0.863385 -3.5 -0.929372 -0.328489 -0.168415 -0.99993\n-0.245 42.9495 3.2935 -0.327965 0 2.8 -0.738887 -0.518422 -0.430447 -0.999922\n2.16325 61.3073 1.301 -1.22568 -0.0870855 1.27819 -0.673659 0.731963 -0.102046 0.794673\n6.88125 67.3538 -1.79075 -0.326763 0 -0.358964 0.304079 -0.939813 0.155843 0.0503532\n8.152 51.887 -7.622 -0.269319 0 -3.5 -0.764778 0.537961 -0.35456 -0.701719\n11.5 46.6963 7.89575 0.543723 0.497523 -4.5 -0.494169 0.736336 0.462176 0.999922\n10.3195 56.492 2.3105 -0.689273 0 -0.8 0.583996 0.398061 0.707457 -0.599512\n-2.265 50.506 9.738 -0.500484 -0.290969 2.8 0.891192 0.40665 -0.201031 -0.999959\n0.9375 51.2257 -9.3615 0.138432 0.081434 -3.641 0.68215 0.178364 0.709125 0.999927\n10.1567 62.1833 -8.99975 0.991808 0.387754 -4.5 -0.296115 -0.841201 0.452433 -0.0929964\n7.789 48.1147 0.0925 -1.66044 -0.381109 -3.5 -0.843825 0.0510491 -0.534184 -0.797227\n13.69 66.0005 -0.8555 -0.57843 -0.731222 -0.8 -0.247321 -0.752521 0.610364 0.0594248\n-0.9645 46.5247 -7.41725 0.480159 0 -3.9 -0.250555 -0.206223 0.945883 -0.999925\n13.238 50.0607 8.40325 0.113438 0 1.8 -0.784871 0.332661 0.522794 0.99994\n-0.291375 43.8 2.241 -0.23346 0 2.8 -0.629893 -0.500256 -0.594121 0.223581\n-5.36525 48.668 2.14025 -0.263115 0 3.8 -0.809428 0.437529 -0.391655 0.999897\n5.35612 56.8585 5.05212 -0.580333 0 -0.4 -0.700575 0.241407 0.671504 0.759752\n-2.693 48.55 -6.7905 -0.849436 -0.154142 3.8 -0.335056 -0.390795 0.857331 -0.999926\n3.00038 58.1517 -0.608 -0.50974 0 3.69853 -0.418303 -0.129707 -0.898999 0.663025\n6.824 46.707 8.211 -1.93108 -0.410271 -3.5 0.261543 0.619348 0.740273 0.61867\n12.8564 55.109 0.68025 -2.28793 -0.360028 -3.5 0.785855 0.61675 0.0452977 0.371303\n3.81575 53.5448 3.7195 -1.65197 -0.105905 -3.5 -0.608297 0.0805007 0.789617 0.0714331\n-2.76775 48.5452 6.93 -1.15832 -0.222388 -2.37951 0.90142 0.147798 0.406936 -0.712551\n7.37313 46.4131 -6.95113 -1.3055 -0.660963 -3.5 -0.399482 -0.100739 0.911189 -0.716121\n6.802 51.723 -0.9315 -0.202491 0 -2.90592 -0.0384276 -0.216238 -0.975584 -0.197082\n3.42088 59.3745 3.85775 -1.0945 -0.0535579 3.55493 -0.0783004 0.208155 0.974957 0.999883\n-3.19225 50.7881 2.97962 -0.734198 0 -2.5705 -0.141454 0.988231 -0.0582224 0.713399\n13.7788 53.28 3.17313 0.176337 0 -3.9 0.423701 0.487723 0.763285 0.714816\n2.34363 56.1201 1.08637 -0.949061 0 2.8086 -0.778015 -0.41356 -0.472928 0.740244\n5.24425 51.1743 6.40737 -1.00505 0 -3.5 0.0512002 0.572875 0.818042 0.748188\n15.8751 51.2375 4.03275 0.215658 0 -3.9 0.532001 0.833664 -0.148256 0.0442736\n1.744 58.426 2.387 -1.80933 0 1.9 -0.96867 -0.136813 0.207271 0.445233\n4.7315 41.522 2.47275 -0.260429 0 -3.2 -0.207209 -0.771384 -0.60169 -0.999939\n-4.18025 50.5443 4.683 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1.11811 0 -3.9 0.180967 -0.094017 0.978985 0.792548\n4.883 66.384 -3.672 -0.134369 0 2.8 0.0198263 -0.981173 -0.192112 0.660376\n1.36175 46.1014 6.28275 -0.452159 0 3.8 -0.097132 -0.153117 0.983423 -0.870215\n2.74237 45.9791 -7.65487 1.52493 0 -3.9 0.140649 0.0304144 0.989592 0.0710412\n0.92625 43.7705 -5.81775 0.547533 0 -3.9 0.0526372 0.943784 0.326345 0.999943\n5.9315 55.0095 5.1185 -0.875069 0 -3.5 -0.277617 -0.272022 0.921376 0.247292\n-1.6705 48.5064 -6.24963 -0.0602195 0 1.82741 -0.0654185 -0.388629 0.919069 0.999882\n2.0785 67.466 -3.85325 -1.58065 -0.728657 -3.5 -0.429493 -0.672927 -0.60225 -0.132139\n5.45425 67.3227 -1.21 -1.42894 -0.320781 2.8 0.24559 -0.964276 0.0992835 -0.820784\n5.88725 58.1567 3.5655 -0.847488 -0.141948 2.06884 0.0534393 0.792856 0.607061 0.121132\n4.61475 46.0607 8.40425 -0.881393 0 3.8 -0.389387 0.216986 0.895151 0.363727\n12.19 59.184 -8.024 -0.117748 0 -4.5 -0.979433 0.0948214 0.1781 -0.732704\n3.817 42.868 -3.609 -0.00139546 0.211544 -3.41315 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0.728233 0.869994\n5.80863 44.6859 0.258125 -0.09086 0 -0.4 -0.853306 0.41791 -0.311801 -0.385308\n4.6695 41.7897 -2.45825 0.0229654 0 -3.2 -0.634457 -0.275117 0.72234 -0.999923\n1.895 48.5285 7.33638 -0.754538 0 3.8 -0.468572 -0.092695 0.878549 0.525451\n0.44275 43.1353 1.81675 -0.325278 0 2.8 -0.549989 -0.408335 -0.728542 0.65111\n1.932 44.3068 8.289 -0.418991 0 3.8 0.169022 0.907548 -0.384433 -0.999978\n1.7855 66.9268 0.066625 0.0651665 0 -3.5 -0.101504 -0.877099 0.469461 0.746344\n-0.2595 49.0605 5.3685 -0.236405 0 -0.4 0.168548 0.722065 0.67098 -0.22682\n6.03487 45.46 -2.06487 -0.586328 -0.0462114 -2.69325 -0.753766 0.655828 -0.0415435 0.17181\n4.43525 43.3759 1.42062 0.036688 0 -3.2 -0.600356 -0.108841 -0.792292 -0.142214\n18.9818 56.1999 0.491375 -0.528825 0 -2.51823 -0.412637 0.412338 0.812225 0.341255\n7.30013 53.7004 4.8225 -1.45289 -0.887272 -3.5 0.120677 -0.0609553 0.990819 0.442703\n3.32 66.4017 -2.0955 0.372823 0.408001 2.8 0.0679342 -0.994529 0.0793582 0.48276\n4.32825 44.7049 1.65025 0.404255 0.0681962 -3.2 -0.422511 0.193208 -0.885525 -0.260647\n6.63675 47.5913 7.24625 -1.03515 -0.152327 -3.5 0.303575 0.675385 0.672084 -0.121899\n20.387 55.772 0.7605 -0.269439 0 -1.6 -0.131844 0.285078 0.949393 -0.999914\n20.1782 58.326 -4.31325 0.985264 0 -3.9 0.072598 0.965269 0.250968 -0.999911\n4.4265 58.4442 3.51875 -1.08242 -0.421681 1.74404 0.235707 0.272971 0.9327 0.0809775\n8.21975 57.0653 4.64738 -0.767092 0 -1.10487 0.726533 0.500957 0.47031 0.448323\n6.0255 56.2415 5.6625 -0.650487 0 -1.98766 -0.409235 -0.0513492 0.910983 0.999876\n7.46625 67.6087 2.76537 -1.49178 -0.00784496 -0.014067 0.0700736 -0.440658 0.894936 0.478339\n7.816 48.3582 -2.3405 -0.107634 0 -3.5 -0.937395 0.26367 -0.227529 0.650277\n5.80638 51.9341 5.359 -1.47558 -0.574976 -3.5 0.235724 0.55628 0.79686 -0.0274474\n19.249 62.1965 -1.0595 -0.2283 0 -3.9 0.742067 -0.634798 0.215333 0.999913\n0.641 42.4855 -3.6445 -0.683065 0 -3.27507 0.151979 0.856575 0.493135 -0.999877\n0.00075 43.417 -5.2115 0.113167 0 -3.9 0.0370599 0.895138 0.444246 -0.999926\n-2.61075 67.292 2.21025 0.259768 0 -3.9 0.51989 -0.830758 -0.198885 -0.999913\n-1.66575 52.6917 -8.02862 0.324526 0.161183 -2.19792 0.162535 0.576521 0.800753 0.999954\n17.1978 51.5047 1.53325 0.413641 0 -3.9 0.117906 0.338734 0.933465 0.0638606\n4.49925 51.9645 5.3075 -1.52052 -0.0125741 -3.5 -0.351176 0.648985 0.674903 0.321094\n4.81138 59.6401 -1.78688 -0.496837 0 3.20812 -0.333637 -0.00865316 -0.942662 0.564852\n-0.666625 45.5861 1.3795 -0.0100992 0 2.8 -0.0771924 -0.607111 -0.790858 -0.250896\n2.206 48.5885 -9.32 2.04259 0 -3.9 0.616363 0.558546 0.555088 -0.999931\n-2.58 46.8148 -0.2495 -0.482062 0 3.30072 -0.0849842 -0.229251 -0.96965 0.706742\n4.57825 50.089 -0.741 -0.195567 0 -3.5 0.212656 -0.499568 -0.839768 -0.0962731\n11.585 56.4588 1.4395 -0.990158 -0.00360645 -1.71088 0.701451 0.466238 0.539062 0.184067\n7.72612 66.8819 1.79712 -0.643805 0 3.8 0.104623 -0.945574 0.30813 0.377276\n9.799 52.0033 4.3695 -0.109625 0 -4.5 0.675913 0.0238478 0.736595 0.841055\n3.77213 48.9325 -0.486375 0.0217073 0 -0.991006 0.38819 -0.555317 -0.735481 0.790465\n4.0355 60.219 3.15075 -0.961854 0 4.00842 0.20295 0.414112 0.887312 0.303341\n4.476 48.3564 0.504875 -0.421701 0 -1.24728 0.285038 -0.554984 -0.781502 -0.217905\n20.2485 54.5535 1.4885 -0.287192 0 -1.6 -0.131035 0.464544 0.875802 0.9999\n19.189 62.0602 -3.25575 0.983832 0 -3.9 0.488795 -0.868888 -0.0781852 0.999907\n6.7875 50.9545 -7.987 -1.17062 -0.171386 -3.5 -0.638487 0.689287 -0.34237 0.563875\n5.272 69.114 5.334 -0.346882 0 -3.62663 0.310796 -0.925255 0.217508 0.999894\n2.3055 46.647 6.84912 -0.601923 0 3.8 -0.493269 -0.204269 0.845553 -0.424656\n10.7347 62.8855 -7.9465 0.511822 0.602851 -4.5 -0.403214 -0.827163 0.391433 -0.999871\n18.9599 58.3395 -3.977 1.11528 0.00646788 -3.9 0.194504 0.950065 0.244016 -0.232573\n8.318 54.1901 -9.75975 0.263041 0 -3.5 -0.927364 0.290295 0.236062 0.590029\n11.5355 50.5938 3.54225 0.491182 0 -4.5 -0.107144 0.263452 0.958704 -0.040727\n2.04925 57.3905 2.60363 -1.27711 0 1.9 -0.802382 -0.172174 0.571436 0.21029\n15.0655 51.8927 1.78875 -0.18755 0 -3.9 0.660127 0.474132 0.582607 -0.999892\n4.00037 60.5384 -0.96875 -0.525007 0 1.8 -0.617139 0.236909 -0.750343 0.27281\n-1.143 43.527 3.8695 -0.253695 0 2.8 -0.419582 -0.722587 -0.549381 -0.999925\n3.504 49.732 -1.04775 -0.223747 0 -3.5 0.221992 -0.319846 -0.921096 0.834413\n2.6215 56.021 3.212 -1.25254 -0.67336 -0.787668 -0.718006 -0.106638 0.68782 0.495646\n-3.40975 45.9567 0.3055 -0.26268 0 3.8 -0.0356729 -0.552867 -0.832505 0.572244\n15.734 63.9271 -0.0105 -0.270772 0 -1.06929 -0.61147 -0.0974852 0.78524 0.223469\n7.71688 53.8027 -1.52937 -0.605323 -0.0298478 0.264174 0.00825233 -0.430309 -0.902644 -0.230914\n8.16475 62.0336 -1.61913 -0.683173 0 3.8 0.107902 0.91029 -0.399661 0.748177\n12.0732 60.804 -8.01925 -0.280635 0 -4.5 -0.91893 -0.224492 0.324301 -0.685628\n8.10525 52.7971 -0.840125 -0.508088 0 -0.4 -0.31233 -0.17848 -0.933057 -0.999896\n12.7308 66.4994 -1.338 -0.0438845 0 -1.6 -0.608323 -0.78858 0.0899167 -0.268817\n7.799 61.1035 -2.63063 -0.358586 0 2.8 -0.169866 0.56373 -0.808303 0.729708\n18.717 62.5078 0.4935 -0.423131 -0.00818652 -2.51409 0.402538 -0.563698 0.721254 0.99991\n8.79125 54.094 -5.92312 -0.140704 -0.0129786 -2.24922 -0.82977 0.553193 0.0738908 0.268046\n4.90863 42.3455 1.356 -0.229777 0 -3.2 -0.465738 -0.6295 -0.621947 0.271702\n7.75338 49.9253 -0.58275 0.255668 0.341874 -3.5 -0.54111 -0.345873 -0.766532 -0.401528\n6.3635 66.8155 2.0715 -0.975467 0 3.8 0.0527032 -0.933543 0.354569 0.598915\n8.84262 68.991 2.97112 -1.1018 -0.106612 -3.5 0.073861 -0.0698572 0.994819 0.708764\n-0.14925 50.9412 -8.0965 0.289107 0 -3.9 0.757148 0.235958 0.609139 0.194866\n2.19225 44.8442 6.49675 -0.45495 0 3.8 -0.242701 0.482893 0.841374 -0.999885\n8.09437 57.3768 3.17013 -0.75315 0 3.8 0.351277 0.877336 0.326934 -0.300924\n-0.703875 48.9425 -6.41575 0.329583 0 -3.9 0.633017 -0.000921153 0.774138 0.8161\n-1.88812 49.3529 -0.179125 -0.261084 0 -0.4 0.467931 0.35087 -0.81113 0.999881\n-4.32837 49.4229 0.792875 -0.299082 0 3.8 -0.748881 0.518617 -0.412569 0.509975\n7.9105 52.8961 -5.67312 0.291476 0 0.516705 -0.787511 0.557915 0.261834 0.46452\n0.105625 49.2129 0.82675 -0.037198 0 -0.4 -0.41387 0.410146 -0.812706 -0.0343382\n4.7665 49.2655 0.00825 -0.0425456 0 -3.5 0.254362 -0.622505 -0.740127 -0.535315\n-3.5035 44.637 1.6935 -0.357478 0 -3.18194 0.0777587 -0.6816 -0.727582 -0.999901\n2.73575 43.0056 -3.47587 -0.00694421 0.0084743 -3.43985 -0.157957 0.740796 0.652894 0.999896\n10.2083 64.5121 -5.055 0.232123 0 0.635485 -0.687436 -0.136019 0.713393 0.191101\n6.073 49.775 -8.391 -0.353985 0 -3.5 -0.759063 0.631806 -0.156987 -0.0393741\n11.2017 55.3885 2.7215 -0.46011 0 -0.8 0.439237 0.462314 0.770284 0.480695\n7.51425 55.6271 -2.17825 -0.283804 0 3.8 0.0336756 -0.0695207 -0.997012 -0.0894978\n-5.3505 47.5993 1.35675 -0.2856 0 3.8 -0.74303 0.154049 -0.651288 0.999938\n8.7335 66.572 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1.86998 0.382148 0.68857 0.616307 -0.281637\n8.0825 66.6205 -8.0775 0.258648 0.131057 -3.5 -0.969303 -0.229301 -0.0887266 -0.999918\n18.7507 61.6292 -5.7515 1.8183 0.0240855 -3.9 0.650095 -0.488092 0.58236 -0.999903\n9.691 55.279 -2.41725 -1.57636 -0.440667 3.8 -0.65147 -0.496863 -0.573336 -0.779323\n6.75938 46.3894 -1.5305 -0.379703 0 -2.97372 -0.77099 0.595525 -0.225662 0.160618\n2.43412 50.699 5.16288 -1.45917 -0.702938 -3.5 -0.43484 0.830577 0.34793 -0.2433\n10.2366 67.0212 -4.86938 0.16049 0 -1.6 -0.14337 -0.579964 0.801927 -0.51234\n1.35325 50.1006 4.81375 -0.42254 0 -0.4 -0.656274 0.682316 0.322102 0.117131\n0.20225 46.3638 6.511 -0.451542 0 3.8 0.327071 0.187041 0.926305 -0.299631\n2.0465 59.981 2.90125 -1.14872 0 3.07769 -0.688073 0.319722 0.651409 0.591907\n18.3021 59.0093 -5.90487 1.08775 0.848531 -3.9 0.411172 0.608865 0.678396 -0.999917\n3.2875 52.5605 3.484 -1.55747 0 -3.5 -0.612992 0.44126 0.655386 -0.402483\n12.3155 61.9386 -2.407 -0.718134 -0.0241145 -1.6 -0.043178 0.876857 0.478808 -0.205484\n1.878 42.138 -3.2555 -0.635895 -0.653753 -3.2 -0.247067 0.718108 0.650598 -0.999902\n17.1283 60.59 -4.41012 2.03274 0.221745 -3.9 0.986599 -0.0792279 0.142637 -0.55991\n9.42925 52.6722 -3.5315 -0.683093 0 -0.4 -0.923285 0.33418 0.189392 -0.213191\n11.4937 66.6137 -0.9585 0.291238 0 -0.8 -0.320796 -0.883941 -0.340203 0.580192\n11.9803 58.4705 -5.7525 0.666736 0.695725 -4.5 -0.764004 0.206565 -0.611252 -0.999892\n-2.3345 48.482 8.7375 -1.0189 -0.138288 -0.4 0.95831 0.00443929 -0.285697 -0.999899\n6.533 67.025 -5.1825 -0.222959 -0.00143757 2.59238 0.0697135 -0.904165 -0.421456 0.590353\n15.2531 60.6691 -0.67525 -0.649461 0 -1.12778 -0.359591 -0.332954 0.871686 0.0827328\n4.79563 68.1669 3.71187 -1.24161 -0.263571 -3.5 0.0446558 -0.829665 0.556473 0.199414\n3.96175 55.3405 0.185 -0.742967 0 4.2 -0.76519 -0.16599 -0.622039 -0.439619\n8.84037 53.6686 -7.85238 -0.325703 0 -3.5 -0.905169 0.39704 -0.151752 0.0504873\n2.43525 43.3249 -4.59312 0.159265 0.101351 -3.9 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0.527911 0.527443\n8.25 54.5448 -10.7317 0.353289 0.654889 -3.5 -0.90029 0.421284 0.109533 0.999935\n8.42725 48.1035 -3.605 -0.337288 0 -3.5 -0.979797 0.10735 -0.168743 -0.55225\n19.0834 58.1102 -1.40963 -0.265184 -0.372719 -3.73747 -0.302604 0.912186 0.276311 0.493579\n3.775 66.6199 -4.1845 -0.233688 0 -0.513797 -0.23909 -0.847917 -0.473152 0.742956\n15.6196 55.1481 -1.4385 -0.953291 0 -3.5 -0.348678 0.715926 0.604875 -0.329297\n4.7435 61.4992 -1.06512 -0.46679 0 1.8 -0.363764 0.650229 -0.666991 0.543063\n6.153 67.4467 2.85 -1.81439 -0.692219 -3.2687 0.193713 -0.607859 0.770054 0.327279\n13.8481 53.9671 2.36325 -0.262162 0 -3.9 0.555768 0.716057 0.422355 0.999814\n12.9003 66.9502 2.06425 -0.132696 -0.702613 -0.8 0.437205 -0.751724 0.493723 0.753663\n17.2655 57.593 -2.0245 -0.0900561 0 -3.68453 -0.393524 0.398957 0.828235 -0.0422807\n9.03475 45.0438 7.83025 -0.328039 0 -1.6 0.131986 0.677992 0.723123 -0.999892\n9.49988 55.3389 -6.19812 -1.06941 -0.679433 -3.5 -0.942776 0.330002 -0.0476622 0.136189\n9.03925 56.3721 -3.38538 -0.349597 -0.607151 3.8 -0.790415 -0.378512 -0.481636 0.171818\n0.987 44.218 7.664 -0.368606 0 3.8 0.133666 0.957465 0.255722 -0.999903\n9.37 69.037 -2.48338 -0.077829 0 -1.6 0.213956 -0.974589 -0.0663237 -0.999885\n3.76525 46.4697 1.99812 -0.277517 0 -0.4 0.0561101 -0.207593 -0.976605 -0.999875\n2.93225 57.7323 3.53513 -1.81258 -0.108888 -0.4 -0.320089 -0.102628 0.941812 0.359538\n8.77962 54.7849 -8.88212 -0.226821 -0.845348 -3.5 -0.875992 0.328572 0.353098 0.484941\n4.813 47.9165 -7.59562 -0.248119 -0.317436 -3.52319 -0.508005 0.315695 0.801416 0.442554\n10.6718 46.914 6.66325 0.148488 0 -4.5 -0.382442 0.797924 0.465891 0.0225581\n4.05 61.2537 2.696 -0.93773 0 3.34927 -0.0404243 0.645546 0.762651 0.770515\n7.20925 58.0337 1.96025 -0.701137 0 3.8 0.453295 0.623991 0.636521 -0.999895\n12.662 62.412 -3.589 -0.753521 -0.302794 -1.6 -0.609207 0.590121 0.52974 -0.50242\n5.57575 47.5503 1.03175 -1.0044 0 -0.4 -0.0795855 -0.266985 -0.960409 0.0232958\n20.1125 56.8355 0.764 -0.198075 0 -1.6 -0.426969 0.314789 0.847706 0.999911\n9.21663 53.4146 -4.54075 -0.30188 0 3.8 -0.77383 0.408638 0.483944 -0.366963\n5.47825 44.0993 -0.50025 0.0629477 0 -0.4 -0.917367 0.368826 0.149683 0.231948\n7.07638 50.4012 5.63825 -0.548226 0 -4.15013 0.591208 0.139664 0.794334 0.290464\n12.5876 66.3584 0.237625 -0.32316 -0.0472607 -0.8 0.0740278 -0.995511 0.0589763 0.210934\n9.909 65.8215 -5.39775 0.182084 0 -1.3942 -0.459652 -0.162298 0.873143 -0.164679\n8.04113 48.9491 -1.06625 -0.0724822 -0.336525 -3.5 -0.969278 0.183641 -0.163632 -0.447415\n10.8813 59.2723 -5.322 0.296391 0.360826 -4.5 -0.464379 -0.0107558 -0.885571 0.047678\n-0.60425 50.1138 2.60875 0.835414 0 -3.9 0.258589 0.944373 -0.203201 0.0693741\n7.8605 58.9269 1.551 -0.603105 0 3.8 0.176761 0.132041 0.975357 -0.664763\n2.17625 43.5952 -6.1735 1.07445 0 -3.9 0.127306 0.969917 0.207495 -0.999889\n-2.63625 44.056 2.28525 -0.418528 0 2.8 0.294233 -0.732241 -0.614207 0.999906\n8.2365 51.71 -9.039 -0.289535 -0.209568 -3.5 -0.803911 0.586937 -0.0960857 -0.999899\n14.3147 67.3278 0.63125 -0.285722 -0.256156 -0.8 0.368356 -0.810882 0.454735 -0.999872\n11.747 68.69 2.607 -1.02393 -0 -3.5 -0.188684 -0.0182086 0.981869 -0.999895\n17.6803 60.2575 -1.55912 -0.121278 0 -3.87277 0.579967 -0.809631 0.0902039 0.929615\n7.059 46.7817 0.11825 -1.32824 -0.0638086 -1.43863 -0.893749 0.405991 -0.190747 -0.283609\n7.7675 45.4305 -6.5645 -1.30362 -0.75166 -3.5 -0.326293 0.63042 0.704346 -0.999907\n6.317 52.5595 -1.2715 -0.214816 0 -0.4 0.169858 -0.362057 -0.91655 0.0439877\n3.71412 46.7854 -7.7545 0.482113 0.307441 -3.9 -0.202679 0.400967 0.89339 0.0995588\n5.75125 58.9847 -1.77737 -0.566887 0 3.8 -0.18717 -0.0242173 -0.982029 -0.489273\n2.31063 53.0825 1.20088 -0.489928 0 3.32967 -0.8531 0.442347 -0.276675 0.45008\n0.577875 67.6264 -3.25638 -0.563731 -0.020019 -3.5 -0.752075 -0.143376 -0.643294 0.529351\n6.3575 45.9755 -6.83875 -1.34832 -0.627395 -3.5 -0.257504 0.311825 0.91458 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0.101079\n-3.282 50.3575 1.2905 -0.30934 0 3.8 -0.323965 0.918101 -0.228337 0.33029\n4.171 48.2375 -9.183 1.88912 0.185688 -3.9 -0.571806 0.677927 0.462008 -0.999881\n10.0312 68.7566 -3.4895 0.000712054 0 -1.6 -0.183461 -0.831521 0.524324 -0.999874\n16.2141 60.0617 -0.956 -0.199662 0 -3.5 0.214815 -0.77972 0.588125 0.21258\n1.887 56.505 2.072 -1.12335 0 1.9 -0.969819 -0.241998 0.0297855 0.651302\n8.7415 66.9745 2.1375 -0.588414 0 3.8 0.259116 -0.868401 0.422776 0.999867\n5.27125 45.6344 1.60137 -0.185613 0 -0.4 -0.447992 0.137244 -0.883441 -0.596298\n18.4632 51.2402 1.381 0.841756 0 -3.9 0.0370809 0.106247 0.993648 -0.999924\n10.979 67.1403 2.54275 -0.520838 -0.00244241 -3.5 -0.363838 -0.29823 0.882429 0.999883\n17.1672 63.7585 0.46175 -0.0964268 0 -1.3 -0.293486 -0.0100061 0.955911 -0.999888\n17.5842 59.6507 -5.28225 2.77337 0.112529 -3.9 0.833049 0.0579132 0.550159 -0.977375\n2.137 67.6008 0.943 -0.280027 0 -3.5 -0.167712 -0.898346 0.406013 -0.396794\n14.072 64.3186 -2.16175 -0.173365 0 -0.93711 -0.72822 -0.190737 0.658266 -0.503575\n16.665 51.1683 6.092 0.0363684 0 -3.83799 0.647505 0.74055 -0.179785 0.999927\n0.74175 42.039 2.3035 -0.476339 0 2.8 -0.425087 -0.444578 -0.788449 0.999922\n9.22488 51.5047 -2.538 -0.265079 0 -0.4 -0.911518 0.217829 -0.348835 -0.799265\n10.776 58.357 -11.497 0.654436 0 -4.5 -0.98733 0.0469445 0.15158 -0.99988\n3.2685 44.773 1.92625 0.260189 0.596142 -3.2 0.126018 -0.0363627 -0.991361 -0.446853\n1.178 45.274 -7.48075 0.814765 0 -3.9 0.213598 -0.294658 0.931425 -0.999925\n1.5295 50.5444 -0.593625 -0.131068 0 -3.4781 -0.789428 0.274225 -0.549185 0.999851\n16.0749 51.0321 2.1595 0.0213917 0 -3.9 0.50823 0.731584 0.454408 -0.369905\n6.38562 48.6745 0.8875 -1.80023 0 -3.5 -0.246536 -0.401137 -0.882219 -0.542\n12.8676 49.1736 4.422 0.136742 0 -4.5 -0.852169 0.365815 0.374149 -0.999882\n11.3735 64.8073 -4.45825 0.393039 0 -1.6 -0.491485 0.187158 0.850538 -0.0402212\n7.262 68.231 -6.584 -0.864156 -0.184795 -3.5 -0.548221 -0.718714 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58.7671 0.0963125 -0.289546 0 1.87878 -0.832351 -0.176592 -0.525364 0.584625\n-2.214 45.4766 1.04475 -0.0242333 0 2.8 0.159938 -0.736314 -0.657466 0.0632785\n8.62719 68.2896 -1.60256 0.387678 0 -1.6 0.441912 -0.885599 -0.142926 -0.217209\n10.4777 62.6932 -5.68363 0.23677 0 2.8 -0.757511 -0.602865 0.250464 0.388955\n4.225 66.6875 1.1725 -0.598609 0 -0.109609 -0.192495 -0.966704 0.168608 0.595933\n7.66575 67.6592 -2.482 0.155057 0 -1.6 0.516304 -0.849073 0.111828 -0.0227432\n9.72775 59.5143 0.406375 -0.451574 0 -0.4 0.631173 0.549443 0.547479 -0.339015\n17.7634 52.3876 1.23256 0.127434 0 -3.9 -0.203099 0.131837 0.970242 -0.13629\n9.38425 57.4106 -4.39988 -0.230768 0 3.8 -0.853649 0.194191 -0.483294 0.383769\n7.54575 47.7215 -1.39038 -0.672991 -0.0288964 -3.5 -0.911776 0.404848 -0.0690196 0.0984538\n6.9935 60.5153 -2.533 -0.406 0 3.6203 -0.420819 0.159186 -0.893068 0.706509\n9.4545 54.7832 -5.028 -0.173974 -0.0823342 3.8 -0.893131 0.258232 0.368284 0.0235957\n12.4975 64.8014 -3.56413 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47.3872 0.259813 0.659841 0 -0.4 -0.172182 -0.348925 -0.921197 0.410739\n-0.242 45.624 -7.22625 0.60204 0 -3.9 -0.270407 -0.294203 0.916692 0.99993\n1.69512 59.8882 0.517875 -0.607146 0 1.81446 -0.840641 0.19059 -0.506949 0.99986\n11.4683 58.8148 -9.325 0.432144 0 -4.5 -0.897609 -0.0924676 0.430985 -0.127681\n9.3455 59.041 -2.951 -0.352775 0 3.8 -0.61962 0.0189678 -0.784673 -0.807541\n12.651 67.841 2.76425 -0.233516 0 -1.91038 0.167172 -0.438729 0.882933 0.999911\n5.90378 60.0391 2.22134 -0.699206 0 3.8 0.267138 0.205266 0.941543 -0.685759\n1.65775 43.4879 1.42737 0.35006 0.0825512 -1.29357 0.0429071 -0.278517 -0.959472 0.616295\n5.19225 61.4996 2.29288 -0.749817 0 3.8 0.288407 0.442949 0.848892 0.551061\n9.87387 67.4467 0.303313 -0.265052 0 -1.6 -0.381817 -0.840831 -0.383692 -0.152762\n7.11344 51.6283 -5.01363 -0.0874797 0 -0.4 -0.63331 0.623258 0.458768 0.386881\n1.47475 60.4146 1.87375 -0.956754 0 1.9 -0.914316 0.350374 0.203135 0.999892\n11.7834 59.4989 -1.094 -0.283918 0 -0.4 0.254318 0.342526 0.904433 -0.267174\n5.89012 49.9631 -0.495375 -0.340837 -0.0216087 -3.5 0.151174 -0.47054 -0.869332 0.155613\n5.6605 41.7423 -1.25787 -0.854302 0 -3.2 -0.807516 -0.465463 0.3623 -0.999895\n3.88125 43.0815 -4.77525 0.646243 0.823114 -3.9 -0.328159 0.939544 0.0978176 -0.484214\n8.35713 49.7089 -2.69388 -0.0770797 0.0250547 -3.18248 -0.961036 0.269328 -0.0622359 -0.0877998\n-2.79012 49.5689 7.28856 -0.647795 -0.0349527 -1.38203 0.932325 0.350792 -0.0878356 -0.137567\n2.56881 48.4349 -0.506187 -0.533848 0 -0.4 0.0525647 -0.512843 -0.856872 0.507274\n12.3201 54.2718 2.76631 0.575152 0.481501 -0.8 0.305859 0.52285 0.795662 0.241633\n11.4488 58.36 0.220687 0.206216 0.156687 -0.525956 0.687096 0.412664 0.598002 -0.142736\n10.2918 59.9178 -0.95225 -0.387684 0 -0.4 0.492374 0.557927 0.668045 -0.541906\n6.52163 66.721 0.406625 -1.00105 -0.622035 3.09472 0.0753127 -0.984876 -0.156035 0.725364\n3.11206 54.8987 1.36994 -0.934977 0 4.2 -0.821352 -0.163762 -0.546409 -0.282224\n14.5673 62.0462 -1.061 -0.918552 0 -0.8 -0.527237 0.213564 0.822443 -0.0223196\n11.4825 62.2217 -7.15763 0.418907 0 -4.5 -0.732694 -0.67724 0.0671241 -0.694809\n2.02612 69.3619 4.11788 0.218692 0 -3.84299 -0.117462 -0.85636 0.502842 -0.999892\n14.9339 64.9619 -0.93 -0.312922 -0.287683 -0.8 -0.665806 -0.314864 0.676434 -0.420665\n1.57481 59.0383 1.34181 -0.83707 0 1.9 -0.982314 -0.186783 -0.0130665 0.589012\n5.1675 62.2514 -0.070125 -0.264057 0.0100384 2.87737 0.0631297 0.966874 -0.247326 0.507679\n10.0965 45.762 7.6805 -0.0789644 0 -1.65788 -0.374455 0.689677 0.619781 -0.999894\n6.13631 57.5137 5.351 -0.558155 0 1.99261 -0.244893 0.646954 0.722134 0.999877\n12.0957 51.9844 3.13675 -0.117715 0 -4.5 -0.230301 0.101431 0.967819 -0.852849\n2.68894 53.8369 2.38412 -1.05183 -0.0910944 -3.5 -0.941097 0.0612987 0.332534 0.149888\n2.85725 59.3851 -0.36225 -0.556416 0 1.8 -0.528058 0.114906 -0.841398 -0.208412\n0.90775 49.1198 -8.413 1.01723 0 -3.9 0.593532 0.459541 0.660713 -0.0987906\n13.7519 63.1116 -2.32437 -0.592046 -0.199313 -0.972428 -0.674797 0.427306 0.601713 -0.239226\n8.6955 60.6795 -2.847 -0.323603 0 2.8 -0.624449 0.115875 -0.772422 -0.158811\n3.85025 48.0964 7.60475 -1.32283 -0.00856424 0.81979 -0.00349829 0.14469 0.989471 0.228635\n3.38313 68.6295 3.27712 -2.08559 -0.254904 -3.5 -0.271402 -0.850867 0.449851 -0.524252\n12.6754 61.3243 -1.46931 -0.327568 -0.0410663 -1.19592 -0.194055 0.476212 0.857651 0.168337\n5.77525 53.4104 4.82888 -1.3738 -0.031378 -3.5 -0.159163 0.202117 0.966342 0.122856\n9.69637 57.6077 2.41088 -0.676656 0 -0.166825 0.340381 0.561351 0.754337 0.353203\n7.64672 47.2072 -2.4155 -0.357177 0 -3.5 -0.87109 0.336071 -0.358132 -0.268037\n10.901 61.3973 -1.187 -0.193709 0 -0.4 0.111878 0.439256 0.891369 0.598219\n10.5646 58.6201 1.29775 -0.256254 0 -0.8 0.506528 0.645423 0.571716 0.868719\n12.6458 65.7191 -2.738 0.483912 0 -1.6 -0.900784 -0.250933 0.35443 0.101026\n11.5076 48.8465 3.74537 0.659505 0 -4.5 -0.203761 0.492924 0.845877 -0.999757\n3.07944 52.567 -0.035625 -0.436547 0 4.2 -0.573951 0.561695 -0.595885 -0.415426\n8.46094 68.0495 -3.835 0.0367949 0 -1.6 0.329784 -0.839283 0.432258 -0.373682\n8.22381 50.8644 -1.34063 0.160346 0.0983685 -3.5 -0.754499 0.105502 -0.647766 -0.2105\n1.76538 67.826 2.40937 -1.23827 0 -3.5 0.0816896 -0.905992 0.415337 0.432696\n-2.49213 47.403 7.83988 -1.60033 -0.397463 -0.4 0.768374 0.633793 0.088926 -0.999897\n0.6725 48.21 0.3405 0.214268 0 -0.4 -0.473146 -0.091971 -0.87617 0.33191\n14.7203 51.7879 3.17156 -0.0650185 0 -3.9 0.568095 0.757995 0.320488 -0.0818652\n9.07812 49.3476 3.91088 -0.231632 0 -4.5 0.517123 0.128557 0.846202 -0.552214\n3.996 54.0187 -0.031 -0.585778 0 4.2 -0.733678 0.266976 -0.624852 -0.488274\n1.65175 66.2932 -1.47344 0.290163 0.223324 -1.66723 -0.104484 -0.990469 0.0897443 0.683114\n6.8905 52.3195 4.65625 -2.28217 -0.383129 -3.5 0.176167 0.27009 0.946582 -0.656425\n7.966 45.458 8.522 -0.422395 0 -1.6 0.46035 0.492767 0.738416 0.99983\n14.4423 59.095 -1.48913 -0.313284 0 -3.5 0.150129 -0.553908 0.818931 0.142151\n14.0457 57.7448 -2.67075 -0.227761 0 -3.5 0.320399 -0.284488 0.903555 -0.999885\n7.21912 56.0325 5.661 -0.735869 0 -3.5 0.316997 -0.104214 0.942683 0.69984\n3.253 44.0952 8.3705 -0.482366 0 3.8 -0.171232 0.896661 0.408264 -0.999891\n15.1986 53.6192 0.108562 -1.25982 -0.0309407 -3.5 0.0880913 0.892416 0.442531 -0.264324\n13.853 51.093 8.2345 0.247541 0.0948019 1.17566 -0.636954 0.715282 0.287508 0.999883\n8.827 61.543 -2.226 -0.431157 0 2.8 -0.326754 0.920409 -0.214659 0.0893957\n9.84244 56.8055 -5.7015 -0.188148 0 3.8 -0.903831 0.31295 -0.291807 0.263218\n6.34888 48.8753 -5.83925 -0.711164 0 -3.5 -0.726943 -0.461475 0.508521 0.466926\n4.2675 57.1343 -0.614 -0.678299 0 4.2 -0.549439 -0.232338 -0.802581 -0.418442\n13.5575 60.1807 -0.984812 -0.521197 0 -0.4 -0.0803603 -0.0508334 0.995469 0.384996\n11.8372 57.6854 -6.8995 0.117591 0 -4.5 -0.782616 0.572963 -0.243363 -0.641018\n4.95363 43.8521 -6.48725 2.36421 0 -3.9 -0.639328 0.755765 0.141701 -0.999864\n18.7954 53.782 1.63731 -0.304925 -0.226898 -3.9 -0.272058 0.19196 0.94294 0.639911\n10.0052 50.558 3.57975 -0.0716075 0 -4.5 0.380708 -0.0442939 0.923634 -0.371734\n12.5436 49.1778 5.99862 1.2062 0 -4.5 -0.935331 0.335235 -0.113023 0.0769506\n14.608 52.3621 6.29812 0.278527 0 -4.5 -0.2781 0.960024 -0.0318529 0.999884\n7.76263 57.0153 -1.9895 -0.501953 0 3.8 -0.321472 -0.0671828 -0.944533 -0.600755\n10.3769 67.8029 -4.16388 0.160219 0 -1.6 -0.190839 -0.659216 0.727334 -0.403836\n4.6405 67.0621 2.51206 -1.35474 0 -0.17636 -0.249024 -0.795065 0.553045 0.884466\n10.8112 62.3314 -1.88937 -0.0837348 -0.390211 0.633139 0.0197745 0.884039 0.466994 0.999859\n10.2106 58.0834 -5.09931 -0.0998723 0.0701379 -0.459685 -0.690737 0.41727 -0.590566 -0.0488621\n9.62575 55.9184 -4.44575 -0.27775 -0.137937 3.8 -0.977281 -0.198217 -0.075052 -0.0945671\n1.5465 51.115 1.91838 0.216338 0 -3.9 -0.840717 0.541273 -0.0147655 -0.270206\n-4.61963 50.1576 6.49425 -0.604952 0 -3.5 0.0252417 0.999356 -0.0254966 -0.999916\n-1.46763 43.2076 -3.18963 -0.206277 0 -3.9 0.392903 0.839173 0.376052 0.999957\n7.87162 45.8919 -4.25431 -1.40487 -0.236656 -3.5 -0.730023 0.582575 -0.357313 -0.394393\n5.13163 54.2328 -1.43644 -0.452419 0 4.2 -0.634821 -0.0921859 -0.76714 0.159792\n0.854875 48.4636 6.27769 -0.403651 0 -0.285594 -0.442004 0.4568 0.771988 -0.130401\n-1.957 49.5795 9.22925 -0.115029 0 -0.4 0.909902 0.246163 -0.33389 0.999872\n0.556 68.9105 3.82 0.269388 0 -3.9 0.0565862 -0.716739 0.695042 0.999886\n-2.39462 47.8723 -0.218 -0.354564 0 3.62491 0.108187 -0.109769 -0.988052 -0.0688539\n6.2685 50.7298 6.1305 -0.515899 0.298452 -3.5 0.436862 0.317505 0.841631 0.655893\n13.2053 50.6715 5.32387 0.316845 0 -4.5 -0.843 0.535417 -0.0517673 -0.0820138\n10.858 53.27 3.253 -0.448543 0 -4.5 0.196586 0.0809871 0.977136 -0.118092\n1.22975 68.4816 -4.09312 -0.4735 -0.417778 -3.5 -0.575972 -0.402911 -0.71128 0.999925\n9.818 68.572 2.677 -1.49215 -0.935881 -3.5 0.239886 -0.294721 0.924983 0.36184\n-0.09575 52.3521 -8.78575 -0.578195 0 -3.5 0.63892 0.438435 0.632105 0.999931\n5.9775 69.6745 4.3165 -1.53963 0 -3.5 0.673842 -0.37142 0.638736 0.999874\n0.929375 49.9701 0.302875 -0.0145746 0 -0.4 -0.77347 0.335874 -0.537525 0.214299\n15.3335 56.687 -2.63562 -0.300409 0 -3.5 -0.0264805 0.258552 0.965634 -0.756693\n0.5665 50.2264 1.93638 0.77019 0 -3.9 -0.434169 0.878186 -0.200714 0.0418165\n12.4447 49.8024 7.37675 0.690454 0 -4.5 -0.937859 0.20396 0.28075 0.999847\n-3.00869 50.6362 7.676 -0.728249 -0.0900293 -2.83273 0.563899 0.526807 -0.635997 0.59846\n15.289 58.2335 -2.35375 -0.17508 0 -3.5 -0.071246 -0.375577 0.924049 -0.420421\n16.1088 53.8436 0.656438 -0.537554 0 -3.82885 -0.386234 0.435862 0.812926 0.473019\n11.4307 66.1065 1.59787 -0.376088 0.601917 -0.8 -0.146034 -0.892924 0.425864 0.999877\n4.1775 58.489 -1.49225 -0.512975 0 3.9557 -0.510604 -0.113837 -0.852247 0.620198\n-0.73275 45.835 8.282 -0.343474 0 3.8 0.720033 0.548862 0.424621 0.999897\n-0.871 48.3756 6.08775 -0.853166 -0.279131 -0.4 0.185149 0.470735 0.862629 -0.0189176\n4.65137 55.7842 4.31175 -1.06714 0 -3.5 -0.558127 -0.059107 0.827648 0.178659\n8.52675 61.8882 -10.2268 0.777011 0.535603 -2.7888 -0.338027 -0.819012 0.463636 0.999835\n6.68488 49.6139 -4.55969 -0.450208 0 -3.03055 -0.593851 -0.204252 0.778217 0.631072\n17.5896 54.8476 0.762688 -0.512778 0 -3.57662 -0.34825 0.414982 0.840542 0.373787\n4.822 52.859 4.735 -1.25151 0 -3.5 -0.524334 0.410071 0.746268 -0.0671303\n11.843 61.356 -5.341 0.186056 0.728367 -4.5 -0.895412 -0.185965 -0.404541 -0.299293\n10.4056 61.0503 -5.10087 0.0127129 0.115941 -4.5 -0.326962 0.393545 -0.859196 0.65872\n10.2483 53.8281 -2.9445 -1.56557 -0.0504034 3.8 -0.952532 0.285576 -0.105496 -0.999875\n4.6925 68.2135 -6.5165 -0.0824121 -0.0999384 -3.5 -0.216336 -0.736308 -0.641131 0.999888\n8.55881 61.4172 0.701 -0.559674 -0.888959 3.8 0.420862 0.67914 0.601369 0.794554\n2.34138 50.464 6.25325 -1.47449 -0.39828 -3.5 -0.291974 0.858128 0.422336 0.59052\n16.0005 62.3195 0.370125 -0.621287 -0.946592 -0.8 -0.447075 -0.0357849 0.893781 0.626341\n8.30825 67.1205 0.31475 -0.23433 0 3.22621 0.268123 -0.906247 -0.326843 0.39451\n12.9882 58.2519 -1.38275 -0.441209 0 -3.36467 0.636757 -0.103769 0.76405 -0.185282\n14.9572 63.1421 -0.996875 -0.268397 0 -0.8 -0.762957 0.0818237 0.64125 -0.504764\n-2.57125 50.8485 -7.089 0.901541 -0.102065 -0.8 0.135587 0.708066 0.693007 -0.999868\n-0.497438 50.2603 -7.36888 0.368923 0 -3.9 0.545821 0.416211 0.727219 0.151431\n-0.152063 67.0826 -1.69938 0.0262215 0 -3.5 -0.873214 -0.484949 -0.0481861 0.999873\n13.5026 51.5213 3.86087 0.0227042 0 -4.5 -0.308493 0.587678 0.747975 -0.0635172\n10.6255 66.539 0.23 -0.0915452 0.21149 -1.4293 -0.53242 -0.828155 -0.17518 0.832684\n7.0565 57.9767 3.663 -0.773736 0 3.8 0.359052 0.907644 0.217402 0.492544\n3.364 41.581 2.61125 -0.506526 0 -3.2 -0.176105 -0.453153 -0.873864 -0.999892\n11.2303 47.6561 5.3355 0.457848 0 -4.5 -0.327142 0.830547 0.450743 -0.342483\n9.6035 57.155 -11.5516 0.677249 0 -4.5 -0.600736 0.491812 0.630268 0.999913\n5.31206 42.7808 0.2235 -0.352924 0 -3.2 -0.931661 -0.307577 -0.193403 0.0869419\n2.77562 61.3335 2.277 -1.04074 0 4.2 -0.388205 0.684169 0.617422 0.825719\n-2.18287 50.3406 0.8365 -0.232635 0 -2.36181 0.36798 0.827314 -0.424432 0.624003\n14.769 54.0341 -1.0455 -2.06316 -0.51737 -3.5 -0.247348 0.743946 0.620776 -0.999846\n9.05494 59.1086 1.4575 -0.526065 0 3.8 0.259304 0.420743 0.869331 0.279558\n6.42637 46.1439 1.07019 -0.44192 0 -0.4 -0.711963 0.340544 -0.614116 -0.548016\n8.994 53.2754 -1.901 -1.04156 -0.664654 2.84577 -0.668042 0.032147 -0.743429 -0.122874\n0.1165 67.6628 2.61725 0.0401717 0 -3.50563 -0.0437207 -0.896504 0.440873 0.822707\n4.51737 44.0785 8.22437 -0.573259 0 3.8 -0.410714 -0.0072841 0.911735 -0.999896\n7.25275 61.6596 0.944687 -0.493286 0.244761 3.8 0.270103 0.821535 0.502119 0.449632\n0.454125 49.9126 3.3235 1.57258 0.453935 -3.9 -0.228599 0.949225 0.216136 -0.329821\n9.71394 56.3582 -9.30081 0.157793 0 -4.5 -0.684872 0.707475 0.174439 0.588854\n12.3396 67.2913 -2.7615 0.0294946 0 -1.6 -0.730371 -0.674149 -0.109919 -0.704959\n6.17519 60.8171 -1.97837 -0.366155 0 3.66767 -0.272289 0.234372 -0.933236 0.116507\n17.6552 61.0703 -0.037375 -0.317602 0 -1.3 0.354255 -0.608495 0.710097 0.614904\n10.3094 56.2265 -7.702 -0.00759846 0.475184 -4.38644 -0.766509 0.635947 -0.089642 -0.205361\n6.5125 48.8116 6.12075 -0.130043 0 -4.5 0.544454 0.320454 0.775164 -0.0697701\n7.81913 48.5781 -4.98231 -0.465 0 -3.5 -0.792494 -0.39439 0.465199 -0.297758\n-0.428 48 -6.9535 0.380955 0 -3.9 0.248896 -0.114557 0.961731 0.0936591\n-1.25069 47.2674 0.136063 -0.289106 0 0.261732 0.378639 -0.155678 -0.912358 0.488877\n6.95931 59.9008 2.018 -0.623483 0 3.8 0.365011 0.219381 0.904787 0.381395\n11.1895 61.2185 -9.004 0.470576 0 -4.5 -0.758727 -0.426909 0.492019 -0.296591\n8.93781 62.7669 -8.00278 0.572628 0.092802 2.35682 -0.307338 -0.838376 0.450188 0.52199\n12.7339 47.7513 7.29875 0.298708 0.939403 -4.5 -0.830044 0.40871 0.379452 -0.99987\n0.266875 67.7541 0.581281 0.105154 0.505512 -3.89318 -0.493027 -0.870012 -0.00194093 0.0730626\n10.1385 60.398 -10.9025 1.131 0 -4.5 -0.871689 -0.321265 0.370063 0.999832\n12.7745 50.806 6.32006 0.898598 0 -4.5 -0.78196 0.623322 -0.00288642 0.745123\n3.87263 62.1253 1.3705 -1.58228 -0.0684289 -3.5 -0.352289 0.915924 0.192291 0.487025\n8.45525 47.2685 6.05375 -0.913047 0 -4.5 0.383693 0.68187 0.622763 -0.388862\n18.57 58.261 -2.9365 0.2647 0 -3.9 0.217934 0.921701 0.320892 -0.11334\n1.04903 47.5363 -7.40359 0.634903 0 -3.9 0.392007 0.469149 0.791347 0.314069\n-0.0955 47.2426 0.684937 0.0344196 0 -0.4 -0.0194031 -0.17532 -0.98432 -0.170416\n5.42275 45.1479 -3.44516 -0.454302 -0.295059 -0.4 -0.61289 0.787923 0.0595245 0.7327\n11.4643 57.5272 -8.87412 0.500453 0.0684697 -4.5 -0.83472 0.519315 0.183179 -0.443441\n-2.11791 50.3424 4.64559 -2.01414 -0.224995 -3.5 0.187991 0.949185 0.252405 0.20192\n9.2945 54.4525 3.5275 -2.22261 -0.0639657 -4.5 0.521754 0.162147 0.837545 -0.775995\n9.41413 48.3107 4.74538 -0.0422009 0 -4.5 0.203691 0.715651 0.668097 -0.115425\n17.5585 61.5802 -4.3065 1.84947 0.304031 -3.9 0.683202 -0.707808 0.179561 -0.999863\n-5.3725 49.2161 3.37375 -0.431118 0 3.8 -0.758498 0.632213 -0.158074 -0.999918\n12.7689 56.5544 -0.974125 -1.32482 0 -3.5 0.78286 0.132542 0.607917 -0.296362\n16.8595 59.9425 -2.73725 0.0222903 0.31671 -3.9 0.933556 -0.215688 0.286272 -0.281454\n4.53762 52.4983 -1.39522 -0.29574 0 1.83755 -0.189581 0.0669092 -0.979583 0.286391\n6.14169 66.5874 -2.93394 -0.297713 0 2.8 0.313875 -0.9351 0.16453 0.787294\n5.74875 44.8879 -5.26072 0.730787 0 -3.9 -0.527229 0.849681 0.00845846 0.0924128\n5.78206 57.3199 -2.00934 -0.493301 0 3.8 -0.338176 0.0312038 -0.940566 0.307747\n5.88637 50.4514 -6.42763 -0.329262 0 -3.5 -0.94246 0.333449 0.0241029 0.549051\n7.93834 63.5614 -8.14769 0.346714 0 3.8 -0.900681 -0.234686 0.365645 0.445596\n11.9255 62.2035 -4.298 -0.0545524 0.239469 -3.64838 -0.729386 0.501911 0.464846 -0.232991\n4.832 43.268 -1.7525 -0.495908 -0.266246 -0.550226 -0.884631 0.156576 0.439218 0.225798\n7.24463 68.9694 2.86406 -2.07937 -0.138667 -3.5 0.246271 0.0282932 0.968788 -0.174713\n8.24088 51.6253 -4.36869 -0.138196 0 -0.4 -0.587387 0.360256 0.724701 -0.0420345\n6.47844 61.9083 -1.286 -0.314914 0.020234 2.83482 -0.165005 0.919671 -0.356339 0.315355\n3.45436 56.572 3.5208 -1.52811 -0.285134 -0.4 -0.332449 0.0634973 0.940981 -0.357317\n1.49857 44.8212 1.12716 1.67458 0.924942 2.8 0.162986 -0.20178 -0.965774 0.499715\n4.7145 57.294 3.84387 -1.27737 -0.061017 -0.4 -0.425459 0.357604 0.831327 -0.161559\n5.28473 47.2809 7.87981 -1.82308 0 -3.5 0.0484672 0.627272 0.77729 0.111923\n3 578 9 328\n3 9 578 674\n3 328 9 424\n3 94 578 328\n3 674 578 581\n3 674 436 9\n3 424 9 436\n3 666 328 424\n3 578 94 181\n3 328 274 94\n3 578 169 581\n3 674 581 518\n3 690 436 674\n3 690 424 436\n3 666 274 328\n3 24 666 424\n3 181 94 48\n3 169 578 181\n3 274 398 94\n3 556 581 169\n3 557 518 581\n3 655 674 518\n3 674 655 690\n3 24 424 690\n3 274 666 248\n3 229 666 24\n3 94 705 48\n3 181 48 339\n3 169 181 291\n3 398 274 598\n3 94 398 705\n3 556 557 581\n3 556 169 291\n3 39 518 557\n3 39 655 518\n3 679 690 655\n3 542 24 690\n3 666 567 248\n3 274 248 598\n3 666 229 567\n3 389 229 24\n3 48 705 339\n3 339 291 181\n3 598 462 398\n3 462 705 398\n3 548 557 556\n3 291 351 556\n3 557 535 39\n3 39 535 655\n3 690 679 153\n3 679 655 721\n3 389 24 542\n3 544 542 690\n3 598 248 567\n3 229 724 567\n3 273 229 389\n3 555 339 705\n3 291 339 5\n3 225 462 598\n3 167 705 462\n3 557 548 580\n3 129 548 556\n3 351 291 5\n3 351 709 556\n3 557 580 535\n3 535 76 655\n3 679 721 153\n3 153 544 690\n3 721 655 76\n3 544 389 542\n3 598 567 275\n3 724 229 273\n3 567 724 191\n3 389 295 273\n3 339 555 5\n3 630 555 705\n3 462 225 267\n3 225 598 275\n3 705 167 47\n3 167 462 267\n3 580 548 576\n3 548 129 659\n3 709 129 556\n3 351 5 195\n3 709 351 501\n3 580 616 535\n3 76 535 315\n3 565 153 721\n3 109 544 153\n3 721 76 315\n3 295 389 544\n3 275 567 191\n3 724 273 419\n3 724 646 191\n3 295 200 273\n3 555 152 5\n3 555 630 108\n3 47 630 705\n3 225 577 267\n3 225 275 646\n3 47 167 244\n3 267 594 167\n3 548 606 576\n3 366 580 576\n3 709 659 129\n3 606 548 659\n3 152 195 5\n3 501 351 195\n3 343 709 501\n3 616 580 366\n3 535 616 602\n3 535 602 315\n3 565 109 153\n3 721 408 565\n3 544 109 697\n3 315 319 721\n3 295 544 423\n3 646 275 191\n3 200 419 273\n3 419 722 724\n3 724 722 646\n3 363 200 295\n3 555 410 152\n3 630 568 108\n3 108 202 555\n3 47 500 630\n3 225 28 577\n3 267 577 594\n3 28 225 646\n3 167 594 244\n3 293 47 244\n3 576 606 560\n3 366 576 572\n3 659 709 251\n3 606 659 596\n3 152 501 195\n3 343 251 709\n3 501 145 343\n3 366 56 616\n3 602 616 241\n3 602 319 315\n3 509 109 565\n3 683 408 721\n3 509 565 408\n3 109 509 697\n3 697 423 544\n3 319 522 721\n3 671 295 423\n3 419 200 388\n3 722 419 311\n3 722 311 646\n3 200 363 388\n3 363 295 671\n3 555 202 410\n3 152 410 172\n3 630 500 568\n3 568 664 108\n3 664 202 108\n3 500 47 293\n3 650 577 28\n3 278 594 577\n3 150 28 646\n3 594 130 244\n3 244 510 293\n3 606 374 560\n3 576 560 572\n3 366 572 425\n3 659 251 597\n3 596 659 597\n3 606 596 374\n3 501 152 91\n3 251 343 636\n3 501 91 145\n3 343 145 673\n3 366 425 56\n3 56 241 616\n3 135 602 241\n3 602 573 319\n3 408 683 35\n3 683 721 522\n3 245 509 408\n3 245 697 509\n3 423 697 671\n3 319 573 522\n3 419 388 306\n3 306 311 419\n3 311 391 646\n3 206 388 363\n3 671 547 363\n3 410 202 457\n3 457 172 410\n3 91 152 172\n3 500 305 568\n3 52 664 568\n3 590 202 664\n3 293 610 500\n3 285 577 650\n3 650 28 150\n3 628 594 278\n3 577 285 278\n3 646 391 150\n3 130 594 430\n3 244 130 510\n3 610 293 510\n3 657 560 374\n3 660 572 560\n3 475 425 572\n3 636 597 251\n3 596 597 640\n3 374 596 466\n3 343 407 636\n3 673 145 91\n3 673 407 343\n3 425 717 56\n3 717 241 56\n3 135 573 602\n3 135 241 652\n3 286 35 683\n3 308 408 35\n3 210 683 522\n3 308 245 408\n3 697 245 215\n3 697 177 671\n3 573 4 522\n3 388 206 306\n3 467 311 306\n3 311 569 391\n3 206 363 564\n3 671 177 547\n3 363 547 564\n3 202 590 457\n3 600 172 457\n3 91 172 600\n3 610 305 500\n3 568 305 52\n3 664 52 629\n3 125 590 664\n3 285 650 67\n3 150 196 650\n3 594 628 430\n3 278 204 628\n3 285 204 278\n3 150 391 196\n3 525 130 430\n3 130 525 510\n3 510 591 610\n3 657 660 560\n3 79 657 374\n3 475 572 660\n3 524 425 475\n3 636 640 597\n3 640 527 596\n3 466 596 527\n3 466 79 374\n3 636 407 154\n3 91 600 673\n3 673 143 407\n3 524 717 425\n3 241 717 652\n3 135 347 573\n3 135 652 347\n3 308 35 286\n3 447 286 683\n3 447 683 210\n3 4 210 522\n3 570 245 308\n3 245 570 215\n3 697 215 177\n3 540 4 573\n3 306 206 467\n3 311 467 120\n3 120 569 311\n3 569 196 391\n3 564 512 206\n3 547 177 538\n3 564 547 538\n3 590 307 457\n3 64 600 457\n3 305 610 583\n3 305 583 52\n3 52 485 629\n3 629 125 664\n3 205 590 125\n3 67 650 365\n3 67 249 285\n3 650 196 365\n3 628 686 430\n3 122 628 204\n3 204 285 249\n3 430 686 525\n3 591 510 525\n3 610 591 163\n3 657 313 660\n3 657 79 684\n3 563 475 660\n3 240 524 475\n3 636 412 640\n3 640 412 527\n3 710 466 527\n3 684 79 466\n3 407 20 154\n3 412 636 154\n3 600 641 673\n3 673 641 143\n3 407 143 20\n3 486 717 524\n3 652 717 651\n3 347 219 573\n3 652 99 347\n3 643 308 286\n3 447 643 286\n3 447 210 166\n3 210 4 492\n3 643 570 308\n3 215 570 538\n3 177 215 538\n3 4 540 492\n3 573 219 540\n3 467 206 512\n3 467 203 120\n3 569 120 559\n3 196 569 365\n3 512 564 538\n3 590 483 307\n3 307 64 457\n3 600 64 641\n3 583 610 163\n3 52 583 485\n3 629 485 611\n3 629 612 125\n3 590 205 483\n3 205 125 218\n3 511 67 365\n3 359 249 67\n3 686 628 122\n3 105 122 204\n3 249 105 204\n3 455 525 686\n3 591 525 706\n3 706 163 591\n3 472 313 657\n3 563 660 313\n3 657 684 85\n3 240 475 563\n3 582 524 240\n3 412 699 527\n3 466 710 442\n3 527 699 710\n3 442 684 466\n3 154 20 412\n3 143 641 649\n3 143 382 20\n3 486 256 717\n3 486 524 44\n3 717 515 651\n3 652 651 103\n3 219 347 99\n3 434 99 652\n3 447 714 643\n3 210 492 166\n3 166 714 447\n3 605 570 643\n3 570 512 538\n3 34 492 540\n3 219 34 540\n3 512 526 467\n3 467 526 203\n3 120 203 559\n3 569 559 448\n3 365 569 399\n3 483 64 307\n3 641 64 161\n3 706 583 163\n3 485 583 55\n3 611 485 55\n3 611 696 629\n3 612 629 696\n3 612 218 125\n3 483 205 392\n3 205 218 476\n3 511 359 67\n3 365 399 511\n3 249 359 656\n3 686 122 494\n3 122 105 353\n3 105 249 656\n3 706 525 455\n3 402 455 686\n3 114 313 472\n3 472 657 85\n3 563 313 110\n3 684 320 85\n3 563 186 240\n3 44 524 582\n3 240 318 582\n3 699 412 405\n3 162 442 710\n3 505 710 699\n3 131 684 442\n3 20 382 412\n3 649 641 161\n3 382 143 649\n3 337 256 486\n3 515 717 256\n3 18 486 44\n3 651 515 561\n3 103 651 11\n3 434 652 103\n3 219 99 434\n3 714 605 643\n3 613 166 492\n3 613 714 166\n3 193 570 605\n3 570 193 512\n3 520 492 34\n3 219 617 34\n3 526 512 193\n3 203 526 75\n3 559 203 75\n3 559 592 448\n3 399 569 448\n3 284 64 483\n3 161 64 284\n3 668 583 706\n3 583 668 55\n3 611 55 668\n3 638 696 611\n3 242 612 696\n3 137 218 612\n3 392 205 499\n3 155 483 392\n3 218 137 476\n3 499 205 476\n3 361 359 511\n3 399 619 511\n3 361 656 359\n3 353 494 122\n3 686 494 270\n3 353 105 656\n3 706 455 698\n3 402 698 455\n3 402 686 270\n3 313 114 110\n3 128 563 110\n3 279 320 684\n3 128 186 563\n3 186 318 240\n3 44 582 352\n3 582 318 682\n3 405 412 533\n3 699 405 165\n3 131 442 162\n3 162 710 368\n3 368 710 505\n3 303 505 699\n3 684 131 279\n3 412 382 533\n3 161 519 649\n3 266 382 649\n3 515 256 337\n3 337 486 432\n3 432 486 18\n3 44 352 18\n3 561 515 394\n3 561 11 651\n3 11 502 103\n3 434 103 371\n3 434 617 219\n3 714 139 605\n3 492 415 613\n3 77 714 613\n3 605 526 193\n3 520 415 492\n3 34 617 520\n3 526 605 75\n3 75 376 559\n3 376 592 559\n3 592 584 448\n3 619 399 448\n3 155 284 483\n3 519 161 284\n3 668 706 383\n3 693 611 668\n3 638 601 696\n3 693 638 611\n3 137 612 242\n3 696 601 242\n3 680 361 511\n3 511 619 680\n3 361 495 656\n3 494 353 574\n3 725 270 494\n3 100 353 656\n3 383 706 698\n3 698 402 595\n3 402 270 595\n3 186 128 440\n3 318 186 431\n3 682 352 582\n3 682 318 370\n3 533 160 405\n3 160 165 405\n3 165 89 699\n3 131 162 156\n3 368 707 162\n3 473 368 505\n3 505 303 12\n3 272 303 699\n3 156 279 131\n3 266 533 382\n3 519 609 649\n3 649 29 266\n3 515 337 394\n3 90 337 432\n3 18 360 432\n3 360 18 352\n3 561 394 302\n3 11 561 316\n3 502 11 316\n3 371 103 502\n3 617 434 371\n3 714 349 139\n3 139 376 605\n3 8 613 415\n3 349 714 77\n3 613 340 77\n3 618 415 520\n3 617 603 520\n3 605 376 75\n3 623 592 376\n3 592 711 584\n3 448 584 60\n3 60 619 448\n3 470 284 155\n3 284 470 519\n3 668 383 422\n3 668 422 693\n3 188 601 638\n3 693 63 638\n3 361 680 149\n3 637 680 619\n3 361 624 495\n3 656 495 100\n3 100 574 353\n3 494 574 725\n3 270 725 194\n3 413 383 698\n3 595 413 698\n3 270 194 595\n3 186 440 431\n3 318 431 370\n3 682 62 352\n3 682 370 69\n3 533 1 160\n3 272 699 89\n3 156 162 298\n3 707 368 473\n3 298 162 707\n3 505 364 473\n3 12 303 459\n3 364 505 12\n3 303 272 459\n3 533 266 427\n3 519 54 609\n3 609 29 649\n3 266 29 271\n3 394 337 90\n3 101 90 432\n3 342 432 360\n3 360 352 614\n3 394 692 302\n3 691 561 302\n3 561 691 316\n3 231 502 316\n3 502 607 371\n3 617 371 607\n3 139 349 623\n3 623 376 139\n3 340 613 8\n3 415 357 8\n3 77 51 349\n3 51 77 340\n3 357 415 618\n3 520 603 618\n3 617 40 603\n3 711 592 623\n3 584 711 68\n3 68 60 584\n3 619 60 482\n3 54 519 470\n3 566 422 383\n3 422 180 693\n3 63 188 638\n3 149 680 106\n3 149 624 361\n3 680 637 435\n3 619 635 637\n3 259 495 624\n3 495 259 100\n3 100 259 574\n3 725 574 230\n3 238 194 725\n3 566 383 413\n3 151 595 194\n3 411 431 440\n3 370 431 665\n3 23 62 682\n3 62 614 352\n3 69 370 665\n3 682 69 23\n3 533 427 1\n3 473 356 707\n3 707 95 298\n3 157 473 364\n3 12 459 364\n3 271 427 266\n3 54 118 609\n3 29 609 297\n3 297 271 29\n3 394 90 507\n3 90 101 507\n3 101 432 488\n3 488 432 342\n3 342 360 614\n3 507 692 394\n3 692 184 302\n3 184 691 302\n3 539 316 691\n3 502 231 607\n3 539 231 316\n3 607 40 617\n3 349 51 623\n3 8 65 340\n3 65 8 357\n3 340 314 51\n3 357 618 10\n3 618 603 414\n3 603 40 685\n3 623 216 711\n3 68 711 107\n3 532 60 68\n3 482 60 532\n3 619 482 635\n3 566 180 422\n3 680 38 106\n3 149 106 263\n3 263 624 149\n3 637 83 435\n3 435 38 680\n3 635 333 637\n3 624 171 259\n3 574 259 41\n3 574 255 230\n3 230 238 725\n3 194 238 151\n3 595 151 86\n3 411 642 431\n3 71 411 440\n3 431 642 665\n3 87 62 23\n3 614 62 465\n3 545 69 665\n3 23 69 497\n3 157 356 473\n3 95 707 356\n3 157 364 459\n3 118 297 609\n3 50 507 101\n3 50 101 488\n3 342 217 488\n3 585 342 614\n3 716 692 507\n3 184 692 647\n3 158 691 184\n3 691 695 539\n3 231 703 607\n3 231 539 703\n3 40 607 685\n3 51 216 623\n3 314 340 65\n3 65 357 13\n3 314 216 51\n3 523 10 618\n3 357 10 653\n3 414 603 390\n3 414 523 618\n3 390 603 685\n3 216 445 711\n3 711 209 107\n3 68 107 532\n3 482 532 239\n3 239 635 482\n3 704 106 38\n3 263 106 506\n3 645 624 263\n3 637 333 83\n3 672 435 83\n3 38 435 115\n3 333 635 589\n3 171 624 362\n3 259 171 41\n3 574 41 255\n3 255 678 230\n3 230 66 238\n3 238 66 151\n3 86 151 124\n3 642 411 541\n3 71 541 411\n3 665 642 460\n3 465 62 87\n3 87 23 497\n3 614 465 585\n3 69 545 497\n3 545 665 460\n3 50 451 507\n3 488 355 50\n3 217 342 585\n3 217 487 488\n3 692 716 647\n3 507 451 716\n3 158 184 647\n3 691 158 695\n3 695 479 539\n3 685 607 703\n3 703 539 456\n3 676 314 65\n3 13 357 653\n3 13 676 65\n3 445 216 314\n3 10 523 653\n3 390 321 414\n3 523 414 321\n3 390 685 681\n3 199 711 445\n3 711 549 209\n3 209 290 107\n3 532 107 310\n3 532 310 239\n3 589 635 239\n3 106 704 506\n3 704 38 115\n3 645 263 506\n3 624 645 31\n3 83 333 82\n3 70 435 672\n3 83 82 672\n3 435 70 115\n3 701 333 589\n3 362 624 31\n3 222 171 362\n3 171 301 41\n3 301 255 41\n3 678 255 133\n3 678 66 230\n3 66 124 151\n3 471 642 541\n3 471 460 642\n3 417 465 87\n3 87 497 417\n3 585 465 417\n3 46 497 545\n3 545 460 658\n3 451 50 355\n3 175 355 488\n3 585 88 217\n3 217 373 487\n3 487 175 488\n3 647 716 250\n3 716 451 33\n3 214 158 647\n3 214 695 158\n3 132 479 695\n3 456 539 479\n3 685 703 681\n3 456 117 703\n3 314 676 317\n3 653 676 13\n3 445 314 317\n3 523 428 653\n3 390 377 321\n3 428 523 321\n3 420 390 681\n3 549 711 199\n3 199 445 317\n3 209 549 290\n3 310 107 290\n3 554 239 310\n3 554 589 239\n3 506 704 98\n3 704 115 201\n3 645 506 42\n3 354 31 645\n3 82 333 701\n3 463 70 672\n3 82 330 672\n3 70 201 115\n3 701 589 536\n3 354 362 31\n3 301 171 222\n3 43 222 362\n3 133 255 301\n3 678 133 599\n3 124 66 678\n3 471 541 441\n3 471 441 460\n3 514 417 497\n3 585 417 514\n3 514 497 46\n3 658 46 545\n3 460 468 658\n3 585 517 88\n3 88 373 217\n3 487 373 452\n3 250 716 119\n3 33 119 716\n3 669 456 479\n3 681 703 117\n3 346 117 456\n3 676 345 317\n3 676 653 369\n3 428 369 653\n3 420 377 390\n3 321 377 254\n3 428 321 332\n3 420 681 3\n3 199 323 549\n3 586 199 317\n3 334 290 549\n3 290 294 310\n3 294 554 310\n3 589 554 536\n3 98 704 246\n3 506 98 42\n3 201 208 704\n3 645 42 197\n3 233 354 645\n3 689 82 701\n3 70 463 201\n3 453 463 672\n3 627 330 82\n3 330 453 672\n3 534 701 536\n3 644 362 354\n3 222 327 301\n3 222 43 327\n3 396 43 362\n3 327 133 301\n3 599 133 327\n3 632 460 441\n3 514 517 585\n3 393 514 46\n3 46 658 393\n3 468 460 632\n3 658 468 292\n3 517 712 88\n3 373 88 712\n3 373 236 452\n3 456 669 346\n3 681 117 346\n3 676 478 345\n3 586 317 345\n3 369 478 676\n3 369 428 720\n3 420 386 377\n3 377 179 254\n3 254 332 321\n3 332 720 428\n3 3 681 346\n3 403 420 3\n3 323 199 586\n3 323 74 549\n3 294 290 334\n3 549 74 334\n3 72 554 294\n3 554 247 536\n3 704 208 246\n3 246 620 98\n3 553 42 98\n3 208 201 61\n3 197 42 553\n3 233 645 197\n3 354 233 588\n3 627 82 689\n3 701 36 689\n3 201 463 146\n3 463 453 331\n3 17 330 627\n3 453 330 17\n3 701 534 489\n3 536 247 534\n3 396 362 644\n3 354 113 644\n3 43 396 327\n3 599 327 416\n3 632 441 14\n3 393 517 514\n3 393 658 138\n3 468 632 276\n3 468 276 292\n3 558 658 292\n3 178 712 517\n3 221 373 712\n3 221 236 373\n3 236 654 452\n3 345 478 586\n3 369 136 478\n3 720 136 369\n3 386 420 496\n3 386 179 377\n3 254 179 529\n3 529 332 254\n3 332 546 720\n3 3 346 403\n3 304 420 403\n3 433 323 586\n3 74 323 185\n3 294 334 296\n3 334 74 484\n3 554 72 247\n3 296 72 294\n3 246 208 620\n3 620 553 98\n3 61 201 146\n3 61 111 208\n3 553 372 197\n3 588 233 197\n3 113 354 588\n3 627 689 289\n3 36 701 287\n3 312 689 36\n3 146 463 331\n3 453 348 331\n3 348 17 627\n3 453 17 348\n3 534 723 489\n3 287 701 489\n3 534 247 211\n3 396 416 327\n3 416 261 599\n3 21 632 14\n3 178 517 393\n3 138 658 558\n3 138 178 393\n3 632 325 276\n3 276 409 292\n3 292 324 558\n3 178 228 712\n3 221 712 493\n3 406 236 221\n3 654 236 406\n3 586 478 552\n3 478 136 552\n3 140 136 720\n3 496 420 304\n3 496 439 386\n3 179 386 439\n3 179 299 529\n3 546 332 529\n3 546 648 720\n3 403 496 304\n3 185 323 433\n3 433 586 552\n3 74 185 484\n3 296 334 484\n3 247 72 49\n3 72 296 461\n3 208 111 620\n3 620 639 553\n3 708 61 146\n3 111 61 708\n3 372 553 625\n3 372 588 197\n3 689 312 289\n3 627 289 401\n3 287 513 36\n3 513 312 36\n3 528 146 331\n3 528 331 348\n3 401 348 627\n3 534 211 723\n3 723 543 489\n3 489 189 287\n3 211 247 49\n3 21 325 632\n3 127 138 558\n3 228 178 138\n3 276 325 719\n3 276 719 409\n3 292 409 324\n3 516 558 324\n3 712 228 493\n3 234 221 493\n3 406 221 234\n3 654 406 7\n3 552 136 140\n3 140 720 648\n3 299 179 439\n3 715 529 299\n3 529 715 546\n3 546 159 648\n3 521 185 433\n3 552 277 433\n3 185 443 484\n3 426 296 484\n3 49 72 461\n3 461 296 426\n3 45 639 620\n3 553 639 625\n3 146 190 708\n3 401 289 312\n3 112 513 287\n3 513 344 312\n3 190 146 528\n3 528 348 401\n3 211 480 723\n3 543 723 480\n3 543 260 489\n3 489 260 189\n3 189 112 287\n3 418 211 49\n3 84 325 21\n3 138 127 228\n3 558 516 127\n3 84 719 325\n3 409 719 634\n3 409 615 324\n3 615 516 324\n3 493 228 235\n3 234 493 268\n3 227 406 234\n3 406 227 7\n3 654 7 15\n3 687 552 140\n3 687 140 648\n3 439 174 299\n3 715 299 338\n3 715 159 546\n3 715 648 159\n3 185 521 443\n3 521 433 277\n3 277 552 404\n3 443 26 484\n3 426 484 26\n3 49 461 418\n3 469 461 426\n3 45 19 639\n3 639 491 625\n3 344 401 312\n3 438 513 112\n3 335 344 513\n3 190 528 341\n3 341 528 401\n3 480 211 418\n3 543 480 148\n3 260 543 477\n3 189 260 176\n3 309 112 189\n3 235 228 127\n3 516 235 127\n3 719 84 22\n3 719 147 634\n3 375 409 634\n3 615 409 375\n3 516 615 381\n3 235 268 493\n3 593 234 268\n3 253 227 234\n3 7 227 170\n3 15 7 170\n3 404 552 687\n3 687 648 604\n3 338 299 174\n3 715 338 397\n3 715 604 648\n3 521 358 443\n3 521 277 579\n3 579 277 404\n3 675 26 443\n3 426 26 675\n3 469 418 461\n3 426 675 469\n3 639 19 491\n3 491 182 625\n3 335 513 438\n3 25 438 112\n3 480 418 269\n3 148 480 265\n3 252 543 148\n3 477 543 252\n3 260 477 176\n3 309 189 176\n3 25 112 309\n3 96 235 516\n3 719 22 147\n3 634 300 375\n3 575 615 375\n3 615 575 381\n3 381 474 516\n3 268 235 0\n3 593 253 234\n3 268 0 593\n3 253 631 227\n3 170 227 631\n3 687 116 404\n3 687 604 387\n3 338 174 498\n3 338 498 397\n3 715 397 604\n3 579 358 521\n3 443 358 350\n3 404 622 579\n3 675 443 350\n3 469 269 418\n3 257 469 675\n3 265 480 269\n3 667 148 265\n3 252 148 667\n3 0 235 96\n3 516 474 96\n3 375 300 212\n3 575 375 212\n3 587 381 575\n3 587 474 381\n3 593 78 253\n3 0 262 593\n3 631 253 449\n3 116 687 387\n3 404 116 622\n3 387 604 6\n3 397 498 464\n3 531 604 397\n3 579 400 358\n3 358 264 350\n3 400 579 622\n3 350 257 675\n3 269 469 379\n3 379 469 257\n3 265 269 379\n3 322 667 265\n3 262 0 96\n3 474 262 96\n3 212 300 142\n3 562 575 212\n3 562 587 575\n3 694 474 587\n3 663 78 593\n3 78 449 253\n3 593 262 80\n3 631 449 134\n3 454 116 387\n3 121 622 116\n3 531 6 604\n3 198 387 6\n3 421 397 464\n3 531 397 421\n3 400 264 358\n3 350 264 429\n3 504 400 622\n3 350 429 257\n3 257 670 379\n3 265 379 670\n3 667 322 207\n3 322 265 670\n3 694 262 474\n3 587 562 626\n3 677 694 587\n3 663 449 78\n3 593 80 663\n3 262 694 80\n3 134 449 380\n3 121 116 454\n3 387 198 454\n3 504 622 121\n3 531 198 6\n3 421 464 446\n3 421 450 531\n3 264 400 702\n3 718 429 264\n3 504 702 400\n3 257 429 670\n3 207 322 490\n3 670 490 322\n3 677 587 626\n3 694 677 30\n3 449 663 380\n3 380 663 80\n3 80 694 380\n3 444 121 454\n3 198 444 454\n3 713 504 121\n3 531 450 198\n3 446 464 384\n3 421 446 104\n3 421 104 450\n3 702 718 264\n3 429 718 670\n3 504 713 702\n3 490 670 37\n3 126 677 626\n3 30 677 126\n3 141 694 30\n3 694 164 380\n3 444 713 121\n3 450 444 198\n3 446 384 237\n3 104 446 173\n3 102 450 104\n3 81 718 702\n3 718 550 670\n3 713 144 702\n3 670 550 37\n3 126 58 30\n3 2 694 141\n3 30 282 141\n3 694 2 164\n3 450 713 444\n3 700 237 384\n3 446 237 223\n3 446 223 173\n3 102 104 173\n3 102 713 450\n3 232 718 81\n3 702 144 81\n3 550 718 258\n3 144 713 551\n3 58 282 30\n3 213 237 700\n3 700 384 571\n3 223 237 213\n3 223 123 173\n3 608 713 102\n3 232 73 718\n3 232 81 144\n3 718 73 258\n3 608 551 713\n3 551 232 144\n3 282 58 458\n3 220 213 700\n3 571 384 288\n3 700 571 688\n3 481 223 213\n3 481 123 223\n3 59 73 232\n3 508 551 608\n3 378 232 551\n3 458 16 282\n3 213 220 481\n3 700 688 220\n3 571 288 395\n3 688 571 503\n3 336 59 232\n3 551 508 437\n3 336 232 378\n3 378 551 437\n3 537 481 220\n3 688 537 220\n3 571 395 27\n3 571 27 503\n3 503 329 688\n3 59 336 367\n3 336 378 367\n3 378 437 32\n3 537 688 187\n3 27 395 183\n3 27 326 503\n3 329 503 662\n3 226 688 329\n3 32 367 378\n3 32 437 224\n3 688 530 187\n3 27 183 326\n3 326 662 503\n3 662 92 329\n3 226 530 688\n3 226 329 92\n3 367 32 280\n3 32 224 281\n3 326 183 633\n3 326 93 662\n3 661 92 662\n3 192 530 226\n3 53 226 92\n3 281 280 32\n3 93 326 633\n3 662 93 243\n3 92 661 53\n3 662 243 661\n3 226 53 192\n3 280 281 57\n3 283 93 633\n3 243 93 283\n3 97 53 661\n3 192 53 385\n3 280 57 168\n3 385 53 97\n3 621 168 57\n" }, { "path": "data/4twp_ligand.mol2", "content": "#\tName:\t\t\t4twp_ligand\n#\tCreating user name:\tsuminyi\n#\tCreation time:\t\tSun Sep 30 06:48:59 2018\n\n#\tModifying user name:\tsuminyi\n#\tModification time:\tSun Sep 30 06:48:59 2018\n\n@MOLECULE\n4twp_ligand\n 46 49 1 1 0\nSMALL\nMMFF94_CHARGES\n\n\n@ATOM\n 1 O81 62.0220 19.2470 46.7580 O.2 1 AXI -0.5700 \n 2 C80 62.4410 19.2240 47.8990 C.2 1 AXI 0.5438 \n 3 N82 62.4980 20.4290 48.6620 N.am 1 AXI -0.7301 \n 4 C88 62.0520 21.6740 48.0700 C.3 1 AXI 0.3001 \n 5 C23 62.9000 17.9420 48.5020 C.ar 1 AXI 0.0862 \n 6 C22 64.1850 17.8490 49.0220 C.ar 1 AXI -0.1500 \n 7 C21 64.6240 16.6610 49.5860 C.ar 1 AXI -0.1500 \n 8 C20 63.7750 15.5550 49.6320 C.ar 1 AXI -0.1500 \n 9 C18 62.0460 16.8310 48.5450 C.ar 1 AXI 0.1015 \n 10 C19 62.4850 15.6480 49.1080 C.ar 1 AXI -0.1500 \n 11 S24 60.3880 16.9320 47.8840 S.3 1 AXI -0.2030 \n 12 C07 59.3910 15.7140 48.7410 C.ar 1 AXI 0.1015 \n 13 C08 59.3110 15.7500 50.1410 C.ar 1 AXI -0.1500 \n 14 C09 58.5370 14.7940 50.8280 C.ar 1 AXI -0.1500 \n 15 C12 58.7100 14.7330 48.0280 C.ar 1 AXI -0.1500 \n 16 C11 57.9160 13.7580 48.7300 C.ar 1 AXI 0.3480 \n 17 N15 57.1460 12.6910 48.2980 N.2 1 AXI -0.7660 \n 18 N14 56.5920 12.0680 49.3930 N.pl3 1 AXI 0.4076 \n 19 C13 56.9880 12.7120 50.5070 C.2 1 AXI -0.1966 \n 20 C10 57.8360 13.7940 50.1000 C.ar 1 AXI 0.0000 \n 21 C16 56.6090 12.3550 51.9180 C.2 1 AXI -0.1050 \n 22 C17 57.3130 12.8630 52.9770 C.2 1 AXI -0.1784 \n 23 C02 57.0670 12.3110 54.3540 C.ar 1 AXI 0.3384 \n 24 N03 57.6910 12.8560 55.4080 N.ar 1 AXI -0.6200 \n 25 C04 57.5010 12.3940 56.6560 C.ar 1 AXI 0.1600 \n 26 C05 56.6410 11.3290 56.8630 C.ar 1 AXI -0.1500 \n 27 C06 55.9830 10.7480 55.7900 C.ar 1 AXI -0.1500 \n 28 C01 56.1980 11.2450 54.5130 C.ar 1 AXI -0.1500 \n 29 H1 62.8439 20.4140 49.6002 H 1 AXI 0.3700 \n 30 H2 62.1685 22.4892 48.7993 H 1 AXI 0.0000 \n 31 H3 60.9933 21.5858 47.7847 H 1 AXI 0.0000 \n 32 H4 62.6556 21.8922 47.1767 H 1 AXI 0.0000 \n 33 H5 64.8460 18.7074 48.9867 H 1 AXI 0.1500 \n 34 H6 65.6270 16.5915 49.9913 H 1 AXI 0.1500 \n 35 H7 64.1165 14.6258 50.0736 H 1 AXI 0.1500 \n 36 H8 61.8248 14.7889 49.1428 H 1 AXI 0.1500 \n 37 H9 59.8450 16.5138 50.6946 H 1 AXI 0.1500 \n 38 H10 58.4760 14.8209 51.9100 H 1 AXI 0.1500 \n 39 H11 58.7768 14.7024 46.9465 H 1 AXI 0.1500 \n 40 H12 55.9751 11.2436 49.3648 H 1 AXI 0.1620 \n 41 H13 55.7680 11.6872 52.0989 H 1 AXI 0.1500 \n 42 H14 58.0422 13.6572 52.8238 H 1 AXI 0.1500 \n 43 H15 58.0165 12.8512 57.4928 H 1 AXI 0.1500 \n 44 H16 56.4819 10.9488 57.8656 H 1 AXI 0.1500 \n 45 H17 55.3080 9.9145 55.9472 H 1 AXI 0.1500 \n 46 H18 55.6961 10.8079 53.6574 H 1 AXI 0.1500 \n@BOND\n 1 1 2 2 \n 2 2 3 am \n 3 2 5 1 \n 4 3 4 1 \n 5 5 6 ar \n 6 5 9 ar \n 7 6 7 ar \n 8 7 8 ar \n 9 8 10 ar \n 10 9 10 ar \n 11 9 11 1 \n 12 11 12 1 \n 13 12 13 ar \n 14 12 15 ar \n 15 13 14 ar \n 16 14 20 ar \n 17 15 16 ar \n 18 16 17 2 \n 19 16 20 ar \n 20 17 18 1 \n 21 18 19 1 \n 22 19 20 2 \n 23 19 21 1 \n 24 21 22 2 \n 25 22 23 1 \n 26 23 24 ar \n 27 23 28 ar \n 28 24 25 ar \n 29 25 26 ar \n 30 26 27 ar \n 31 27 28 ar \n 32 3 29 1 \n 33 4 30 1 \n 34 4 31 1 \n 35 4 32 1 \n 36 6 33 1 \n 37 7 34 1 \n 38 8 35 1 \n 39 10 36 1 \n 40 13 37 1 \n 41 14 38 1 \n 42 15 39 1 \n 43 18 40 1 \n 44 21 41 1 \n 45 22 42 1 \n 46 25 43 1 \n 47 26 44 1 \n 48 27 45 1 \n 49 28 46 1 \n@SUBSTRUCTURE\n 1 AXI 1 PERM 0 **** **** 0 ROOT \n@NORMAL\n@ALT_TYPE\nMMFF94_ALT_TYPE_SET \nMMFF94 4 CR 19 C5A 5 CB 6 CB 7 CB 8 CB 9 CB 10 CB 12 CB 13 CB 14 CB \\\n15 CB 16 CB 20 CB 23 CB 25 CB 26 CB 27 CB 28 CB 2 C=ON \\\n21 C=C 22 C=C 30 HC 31 HC 32 HC 33 HC 34 HC 35 HC 36 HC \\\n37 HC 38 HC 39 HC 41 HC 42 HC 43 HC 44 HC 45 HC 46 HC \\\n40 HNCC 29 HNCO 1 O=CN 24 NPYD 18 NPYL 17 N5A 3 NC=O \\\n11 S \n" }, { "path": "data/4twp_protein.pdb", "content": "HEADER 4TWP_PROTEIN \nCOMPND 4TWP_PROTEIN \nREMARK GENERATED BY SYBYL (TRIPOS, INC.) 20-NOV-16 \nSEQRES 1 A 41 ASP LYS TRP GLU MET GLU ARG THR ASP ILE THR MET LYS \nSEQRES 2 A 41 HIS LYS LEU GLY GLY GLY GLN TYR GLY GLU VAL TYR GLU \nSEQRES 3 A 41 GLY VAL TRP LYS LYS TYR SER LEU THR VAL ALA VAL LYS \nSEQRES 4 A 41 THR LEU \nSEQRES 1 A 225 GLU VAL GLU GLU PHE LEU LYS GLU ALA ALA VAL MET LYS \nSEQRES 2 A 225 GLU ILE LYS HIS PRO ASN LEU VAL GLN LEU LEU GLY VAL \nSEQRES 3 A 225 CYS THR ARG GLU PRO PRO PHE TYR ILE ILE ILE GLU PHE \nSEQRES 4 A 225 MET THR TYR GLY ASN LEU LEU ASP TYR LEU ARG GLU CYS \nSEQRES 5 A 225 ASN ARG GLN GLU VAL ASN ALA VAL VAL LEU LEU TYR MET \nSEQRES 6 A 225 ALA THR GLN ILE SER SER ALA MET GLU TYR LEU GLU LYS \nSEQRES 7 A 225 LYS ASN PHE ILE HIS ARG ASP LEU ALA ALA ARG ASN CYS \nSEQRES 8 A 225 LEU VAL GLY GLU ASN HIS LEU VAL LYS VAL ALA ASP PHE \nSEQRES 9 A 225 GLY LEU SER ARG LEU MET THR GLY ASP THR TYR THR ALA \nSEQRES 10 A 225 HIS ALA GLY ALA LYS PHE PRO ILE LYS TRP THR ALA PRO \nSEQRES 11 A 225 GLU SER LEU ALA TYR ASN LYS PHE SER ILE LYS SER ASP \nSEQRES 12 A 225 VAL TRP ALA PHE GLY VAL LEU LEU TRP GLU ILE ALA THR \nSEQRES 13 A 225 TYR GLY MET SER PRO TYR PRO GLY ILE ASP LEU SER GLN \nSEQRES 14 A 225 VAL TYR GLU LEU LEU GLU LYS ASP TYR ARG MET GLU ARG \nSEQRES 15 A 225 PRO GLU GLY CYS PRO GLU LYS VAL TYR GLU LEU MET ARG \nSEQRES 16 A 225 ALA CYS TRP GLN TRP ASN PRO SER ASP ARG PRO SER PHE \nSEQRES 17 A 225 ALA GLU ILE HIS GLN ALA PHE GLU THR MET PHE GLN GLU \nSEQRES 18 A 225 SER SER ILE SER \nHET NI A 1 1 \nHET NI A 2 1 \nHET NA A 3 1 \nHET NA A 4 1 \nATOM 1 N ASP A 233 50.468 21.789 27.404 1.00 -0.82 N \nATOM 2 CA ASP A 233 51.251 20.934 28.296 1.00 0.04 C \nATOM 3 C ASP A 233 50.357 19.892 28.966 1.00 0.62 C \nATOM 4 O ASP A 233 49.463 20.237 29.744 1.00 -0.50 O \nATOM 5 CB ASP A 233 51.939 21.782 29.360 1.00 -0.40 C \nATOM 6 CG ASP A 233 52.945 20.991 30.180 1.00 0.71 C \nATOM 7 OD1 ASP A 233 52.976 19.745 30.060 1.00 -0.72 O \nATOM 8 OD2 ASP A 233 53.706 21.617 30.954 1.00 -0.72 O \nATOM 9 HA ASP A 233 52.018 20.414 27.703 1.00 0.05 H \nATOM 10 HB2 ASP A 233 52.464 22.612 28.864 1.00 0.07 H \nATOM 11 HB3 ASP A 233 51.173 22.186 30.038 1.00 0.07 H \nATOM 12 H ASP A 233 49.479 21.663 27.332 1.00 0.30 H \nATOM 13 HNCA ASP A 233 50.931 22.513 26.855 1.00 0.30 H \nATOM 14 N LYS A 234 50.594 18.618 28.666 1.00 -0.35 N \nATOM 15 CA LYS A 234 49.786 17.539 29.238 1.00 -0.24 C \nATOM 16 C LYS A 234 49.948 17.451 30.761 1.00 0.73 C \nATOM 17 O LYS A 234 49.089 16.893 31.453 1.00 -0.59 O \nATOM 18 CB LYS A 234 50.136 16.192 28.587 1.00 -0.01 C \nATOM 19 CG LYS A 234 51.364 15.471 29.205 1.00 0.02 C \nATOM 20 CD LYS A 234 51.755 14.220 28.403 1.00 -0.05 C \nATOM 21 CE LYS A 234 52.877 13.418 29.077 1.00 -0.01 C \nATOM 22 NZ LYS A 234 52.410 12.120 29.669 1.00 -0.39 N \nATOM 23 HA LYS A 234 48.730 17.759 29.022 1.00 0.14 H \nATOM 24 HB2 LYS A 234 49.264 15.528 28.684 1.00 0.04 H \nATOM 25 HB3 LYS A 234 50.344 16.370 27.522 1.00 0.04 H \nATOM 26 HG2 LYS A 234 52.216 16.167 29.218 1.00 0.01 H \nATOM 27 HG3 LYS A 234 51.120 15.172 30.235 1.00 0.01 H \nATOM 28 HD2 LYS A 234 50.870 13.574 28.303 1.00 0.06 H \nATOM 29 HD3 LYS A 234 52.095 14.533 27.405 1.00 0.06 H \nATOM 30 HE2 LYS A 234 53.650 13.200 28.325 1.00 0.11 H \nATOM 31 HE3 LYS A 234 53.310 14.032 29.881 1.00 0.11 H \nATOM 32 HZ1 LYS A 234 52.010 11.545 28.944 1.00 0.34 H \nATOM 33 HZ2 LYS A 234 53.192 11.640 30.086 1.00 0.34 H \nATOM 34 HZ3 LYS A 234 51.714 12.304 30.375 1.00 0.34 H \nATOM 35 H LYS A 234 51.339 18.393 28.038 1.00 0.27 H \nATOM 36 N TRP A 235 51.044 18.009 31.277 1.00 -0.42 N \nATOM 37 CA TRP A 235 51.338 17.950 32.712 1.00 -0.03 C \nATOM 38 C TRP A 235 50.536 18.976 33.522 1.00 0.60 C \nATOM 39 O TRP A 235 50.399 18.850 34.745 1.00 -0.57 O \nATOM 40 CB TRP A 235 52.832 18.156 32.964 1.00 -0.01 C \nATOM 41 CG TRP A 235 53.697 17.030 32.462 1.00 -0.14 C \nATOM 42 CD1 TRP A 235 54.384 16.982 31.277 1.00 -0.16 C \nATOM 43 CD2 TRP A 235 53.973 15.791 33.134 1.00 0.12 C \nATOM 44 NE1 TRP A 235 55.069 15.790 31.173 1.00 -0.34 N \nATOM 45 CE2 TRP A 235 54.833 15.043 32.298 1.00 0.14 C \nATOM 46 CE3 TRP A 235 53.570 15.241 34.361 1.00 -0.24 C \nATOM 47 CZ2 TRP A 235 55.303 13.777 32.652 1.00 -0.26 C \nATOM 48 CZ3 TRP A 235 54.033 13.985 34.709 1.00 -0.20 C \nATOM 49 CH2 TRP A 235 54.896 13.266 33.858 1.00 -0.11 C \nATOM 50 HA TRP A 235 51.062 16.947 33.069 1.00 0.11 H \nATOM 51 HB2 TRP A 235 53.144 19.083 32.460 1.00 0.03 H \nATOM 52 HB3 TRP A 235 52.990 18.257 34.048 1.00 0.03 H \nATOM 53 HE1 TRP A 235 55.661 15.507 30.379 1.00 0.34 H \nATOM 54 HD1 TRP A 235 54.388 17.771 30.526 1.00 0.21 H \nATOM 55 HZ2 TRP A 235 55.964 13.219 31.999 1.00 0.16 H \nATOM 56 HH2 TRP A 235 55.246 12.287 34.164 1.00 0.14 H \nATOM 57 HZ3 TRP A 235 53.727 13.546 35.652 1.00 0.14 H \nATOM 58 HE3 TRP A 235 52.909 15.790 35.022 1.00 0.17 H \nATOM 59 H TRP A 235 51.682 18.480 30.669 1.00 0.27 H \nATOM 60 N GLU A 236 50.028 19.998 32.839 1.00 -0.52 N \nATOM 61 CA GLU A 236 49.280 21.069 33.489 1.00 0.04 C \nATOM 62 C GLU A 236 47.929 20.594 34.016 1.00 0.54 C \nATOM 63 O GLU A 236 47.188 19.889 33.314 1.00 -0.58 O \nATOM 64 CB GLU A 236 49.077 22.232 32.518 1.00 0.06 C \nATOM 65 CG GLU A 236 50.183 23.269 32.584 1.00 0.01 C \nATOM 66 CD GLU A 236 50.116 24.098 33.857 1.00 0.81 C \nATOM 67 OE1 GLU A 236 49.007 24.260 34.422 1.00 -0.82 O \nATOM 68 OE2 GLU A 236 51.175 24.595 34.286 1.00 -0.82 O \nATOM 69 HA GLU A 236 49.873 21.427 34.344 1.00 0.11 H \nATOM 70 HB2 GLU A 236 49.036 21.830 31.495 1.00 -0.02 H \nATOM 71 HB3 GLU A 236 48.123 22.724 32.757 1.00 -0.02 H \nATOM 72 HG2 GLU A 236 51.154 22.754 32.547 1.00 -0.04 H \nATOM 73 HG3 GLU A 236 50.091 23.941 31.718 1.00 -0.04 H \nATOM 74 H GLU A 236 50.163 20.034 31.849 1.00 0.29 H \nATOM 75 N MET A 237 47.599 20.995 35.243 1.00 -0.42 N \nATOM 76 CA MET A 237 46.334 20.586 35.852 1.00 -0.02 C \nATOM 77 C MET A 237 45.700 21.698 36.699 1.00 0.60 C \nATOM 78 O MET A 237 46.351 22.707 37.000 1.00 -0.57 O \nATOM 79 CB MET A 237 46.531 19.293 36.648 1.00 0.03 C \nATOM 80 CG MET A 237 47.728 19.326 37.568 1.00 0.00 C \nATOM 81 SD MET A 237 47.390 20.324 39.030 1.00 -0.27 S \nATOM 82 CE MET A 237 46.209 19.268 39.864 1.00 -0.05 C \nATOM 83 HA MET A 237 45.632 20.366 35.034 1.00 0.09 H \nATOM 84 HB2 MET A 237 45.631 19.118 37.255 1.00 0.02 H \nATOM 85 HB3 MET A 237 46.661 18.464 35.937 1.00 0.02 H \nATOM 86 HG2 MET A 237 47.970 18.300 37.881 1.00 0.04 H \nATOM 87 HG3 MET A 237 48.585 19.756 37.029 1.00 0.04 H \nATOM 88 HE1 MET A 237 46.674 18.294 40.075 1.00 0.07 H \nATOM 89 HE2 MET A 237 45.899 19.739 40.808 1.00 0.07 H \nATOM 90 HE3 MET A 237 45.329 19.123 39.221 1.00 0.07 H \nATOM 91 H MET A 237 48.225 21.584 35.754 1.00 0.27 H \nATOM 92 N GLU A 238 44.427 21.521 37.056 1.00 -0.52 N \nATOM 93 CA GLU A 238 43.691 22.530 37.820 1.00 0.04 C \nATOM 94 C GLU A 238 44.041 22.484 39.302 1.00 0.54 C \nATOM 95 O GLU A 238 43.904 21.440 39.940 1.00 -0.58 O \nATOM 96 CB GLU A 238 42.177 22.345 37.644 1.00 0.06 C \nATOM 97 CG GLU A 238 41.329 23.407 38.339 1.00 0.01 C \nATOM 98 CD GLU A 238 41.529 24.791 37.736 1.00 0.81 C \nATOM 99 OE1 GLU A 238 41.243 25.796 38.431 1.00 -0.82 O \nATOM 100 OE2 GLU A 238 41.969 24.873 36.564 1.00 -0.82 O \nATOM 101 HA GLU A 238 43.969 23.521 37.431 1.00 0.11 H \nATOM 102 HB2 GLU A 238 41.949 22.372 36.568 1.00 -0.02 H \nATOM 103 HB3 GLU A 238 41.900 21.362 38.052 1.00 -0.02 H \nATOM 104 HG2 GLU A 238 40.269 23.130 38.245 1.00 -0.04 H \nATOM 105 HG3 GLU A 238 41.607 23.441 39.403 1.00 -0.04 H \nATOM 106 H GLU A 238 43.962 20.675 36.794 1.00 0.29 H \nATOM 107 N ARG A 239 44.411 23.625 39.866 1.00 -0.35 N \nATOM 108 CA ARG A 239 44.854 23.665 41.248 1.00 -0.26 C \nATOM 109 C ARG A 239 43.735 23.164 42.152 1.00 0.73 C \nATOM 110 O ARG A 239 43.987 22.490 43.153 1.00 -0.59 O \nATOM 111 CB ARG A 239 45.267 25.085 41.644 1.00 -0.00 C \nATOM 112 CG ARG A 239 46.537 25.583 40.969 1.00 0.04 C \nATOM 113 CD ARG A 239 47.063 26.848 41.629 1.00 0.05 C \nATOM 114 NE ARG A 239 46.127 27.963 41.517 1.00 -0.53 N \nATOM 115 CZ ARG A 239 46.069 28.788 40.476 1.00 0.81 C \nATOM 116 NH1 ARG A 239 46.894 28.626 39.450 1.00 -0.86 N \nATOM 117 NH2 ARG A 239 45.184 29.774 40.460 1.00 -0.86 N \nATOM 118 HA ARG A 239 45.725 23.003 41.360 1.00 0.16 H \nATOM 119 HB2 ARG A 239 44.446 25.768 41.379 1.00 0.03 H \nATOM 120 HB3 ARG A 239 45.425 25.106 42.732 1.00 0.03 H \nATOM 121 HG2 ARG A 239 47.307 24.800 41.034 1.00 0.03 H \nATOM 122 HG3 ARG A 239 46.319 25.796 39.912 1.00 0.03 H \nATOM 123 HD2 ARG A 239 47.242 26.643 42.695 1.00 0.07 H \nATOM 124 HD3 ARG A 239 48.010 27.131 41.146 1.00 0.07 H \nATOM 125 HE ARG A 239 45.470 28.120 42.294 1.00 0.35 H \nATOM 126 HH12 ARG A 239 46.847 29.267 38.645 1.00 0.45 H \nATOM 127 HH11 ARG A 239 47.582 27.859 39.458 1.00 0.45 H \nATOM 128 HH22 ARG A 239 45.139 30.413 39.653 1.00 0.45 H \nATOM 129 HH21 ARG A 239 44.541 29.902 41.254 1.00 0.45 H \nATOM 130 H ARG A 239 44.385 24.470 39.332 1.00 0.27 H \nATOM 131 N THR A 240 42.500 23.506 41.802 1.00 -0.42 N \nATOM 132 CA THR A 240 41.343 23.159 42.625 1.00 -0.04 C \nATOM 133 C THR A 240 41.093 21.653 42.688 1.00 0.60 C \nATOM 134 O THR A 240 40.192 21.196 43.412 1.00 -0.57 O \nATOM 135 CB THR A 240 40.053 23.867 42.157 1.00 0.37 C \nATOM 136 OG1 THR A 240 39.576 23.253 40.949 1.00 -0.68 O \nATOM 137 CG2 THR A 240 40.314 25.361 41.939 1.00 -0.24 C \nATOM 138 HA THR A 240 41.561 23.503 43.647 1.00 0.10 H \nATOM 139 HB THR A 240 39.285 23.756 42.937 1.00 0.00 H \nATOM 140 HG1 THR A 240 38.783 23.690 40.663 1.00 0.41 H \nATOM 141 HG23 THR A 240 39.978 25.925 42.822 1.00 0.06 H \nATOM 142 HG21 THR A 240 41.391 25.527 41.787 1.00 0.06 H \nATOM 143 HG22 THR A 240 39.761 25.704 41.052 1.00 0.06 H \nATOM 144 H THR A 240 42.358 24.014 40.953 1.00 0.27 H \nATOM 145 N ASP A 241 41.866 20.893 41.909 1.00 -0.52 N \nATOM 146 CA ASP A 241 41.850 19.433 41.992 1.00 0.04 C \nATOM 147 C ASP A 241 42.497 18.972 43.290 1.00 0.54 C \nATOM 148 O ASP A 241 42.298 17.830 43.731 1.00 -0.58 O \nATOM 149 CB ASP A 241 42.606 18.819 40.810 1.00 -0.03 C \nATOM 150 CG ASP A 241 41.729 18.628 39.578 1.00 0.80 C \nATOM 151 OD1 ASP A 241 42.092 17.782 38.723 1.00 -0.80 O \nATOM 152 OD2 ASP A 241 40.683 19.309 39.467 1.00 -0.80 O \nATOM 153 HA ASP A 241 40.806 19.088 41.968 1.00 0.09 H \nATOM 154 HB2 ASP A 241 43.442 19.483 40.546 1.00 -0.01 H \nATOM 155 HB3 ASP A 241 42.999 17.838 41.116 1.00 -0.01 H \nATOM 156 H ASP A 241 42.474 21.335 41.249 1.00 0.29 H \nATOM 157 N ILE A 242 43.282 19.857 43.897 1.00 -0.42 N \nATOM 158 CA ILE A 242 44.048 19.500 45.090 1.00 -0.06 C \nATOM 159 C ILE A 242 43.524 20.211 46.319 1.00 0.60 C \nATOM 160 O ILE A 242 43.365 21.434 46.312 1.00 -0.57 O \nATOM 161 CB ILE A 242 45.539 19.894 44.968 1.00 0.13 C \nATOM 162 CG1 ILE A 242 46.165 19.274 43.718 1.00 -0.04 C \nATOM 163 CG2 ILE A 242 46.305 19.482 46.225 1.00 -0.32 C \nATOM 164 CD1 ILE A 242 46.230 17.773 43.752 1.00 -0.07 C \nATOM 165 HA ILE A 242 43.971 18.412 45.236 1.00 0.09 H \nATOM 166 HB ILE A 242 45.599 20.988 44.873 1.00 0.02 H \nATOM 167 HG12 ILE A 242 45.567 19.575 42.845 1.00 0.02 H \nATOM 168 HG13 ILE A 242 47.189 19.663 43.614 1.00 0.02 H \nATOM 169 HD11 ILE A 242 45.214 17.364 43.855 1.00 0.02 H \nATOM 170 HD12 ILE A 242 46.681 17.404 42.819 1.00 0.02 H \nATOM 171 HD13 ILE A 242 46.843 17.452 44.607 1.00 0.02 H \nATOM 172 HG21 ILE A 242 46.224 18.394 46.364 1.00 0.09 H \nATOM 173 HG22 ILE A 242 47.364 19.760 46.117 1.00 0.09 H \nATOM 174 HG23 ILE A 242 45.878 19.996 47.099 1.00 0.09 H \nATOM 175 H ILE A 242 43.350 20.785 43.530 1.00 0.27 H \nATOM 176 N THR A 243 43.247 19.440 47.368 1.00 -0.42 N \nATOM 177 CA THR A 243 43.007 20.008 48.682 1.00 -0.04 C \nATOM 178 C THR A 243 44.323 19.972 49.444 1.00 0.60 C \nATOM 179 O THR A 243 44.900 18.908 49.643 1.00 -0.57 O \nATOM 180 CB THR A 243 41.941 19.226 49.448 1.00 0.37 C \nATOM 181 OG1 THR A 243 40.679 19.439 48.815 1.00 -0.68 O \nATOM 182 CG2 THR A 243 41.848 19.713 50.879 1.00 -0.24 C \nATOM 183 HA THR A 243 42.672 21.050 48.572 1.00 0.10 H \nATOM 184 HB THR A 243 42.191 18.155 49.438 1.00 0.00 H \nATOM 185 HG1 THR A 243 40.006 18.958 49.281 1.00 0.41 H \nATOM 186 HG23 THR A 243 42.421 19.040 51.534 1.00 0.06 H \nATOM 187 HG21 THR A 243 42.261 20.730 50.948 1.00 0.06 H \nATOM 188 HG22 THR A 243 40.794 19.723 51.195 1.00 0.06 H \nATOM 189 H THR A 243 43.203 18.448 47.248 1.00 0.27 H \nATOM 190 N MET A 244 44.780 21.148 49.862 1.00 -0.42 N \nATOM 191 CA MET A 244 46.082 21.308 50.508 1.00 -0.02 C \nATOM 192 C MET A 244 46.003 21.064 52.010 1.00 0.60 C \nATOM 193 O MET A 244 45.208 21.702 52.712 1.00 -0.57 O \nATOM 194 CB MET A 244 46.626 22.716 50.251 1.00 0.03 C \nATOM 195 CG MET A 244 46.972 22.982 48.797 1.00 0.00 C \nATOM 196 SD MET A 244 48.457 22.072 48.324 1.00 -0.27 S \nATOM 197 CE MET A 244 49.725 23.176 48.954 1.00 -0.05 C \nATOM 198 HA MET A 244 46.776 20.575 50.072 1.00 0.09 H \nATOM 199 HB2 MET A 244 45.865 23.445 50.566 1.00 0.02 H \nATOM 200 HB3 MET A 244 47.535 22.852 50.855 1.00 0.02 H \nATOM 201 HG2 MET A 244 46.133 22.662 48.161 1.00 0.04 H \nATOM 202 HG3 MET A 244 47.148 24.059 48.658 1.00 0.04 H \nATOM 203 HE1 MET A 244 49.596 23.301 50.039 1.00 0.07 H \nATOM 204 HE2 MET A 244 50.718 22.749 48.749 1.00 0.07 H \nATOM 205 HE3 MET A 244 49.638 24.155 48.459 1.00 0.07 H \nATOM 206 H MET A 244 44.209 21.958 49.729 1.00 0.27 H \nATOM 207 N LYS A 245 46.792 20.101 52.481 1.00 -0.35 N \nATOM 208 CA LYS A 245 46.984 19.828 53.910 1.00 -0.24 C \nATOM 209 C LYS A 245 48.217 20.549 54.492 1.00 0.73 C \nATOM 210 O LYS A 245 48.669 21.565 53.953 1.00 -0.59 O \nATOM 211 CB LYS A 245 47.017 18.325 54.209 1.00 -0.01 C \nATOM 212 CG LYS A 245 45.722 17.593 53.884 1.00 0.02 C \nATOM 213 CD LYS A 245 45.606 16.292 54.679 1.00 -0.05 C \nATOM 214 CE LYS A 245 44.832 15.229 53.902 1.00 -0.01 C \nATOM 215 NZ LYS A 245 44.226 14.161 54.778 1.00 -0.39 N \nATOM 216 HA LYS A 245 46.105 20.237 54.429 1.00 0.14 H \nATOM 217 HB2 LYS A 245 47.826 17.873 53.616 1.00 0.04 H \nATOM 218 HB3 LYS A 245 47.229 18.191 55.280 1.00 0.04 H \nATOM 219 HG2 LYS A 245 44.870 18.243 54.134 1.00 0.01 H \nATOM 220 HG3 LYS A 245 45.702 17.359 52.809 1.00 0.01 H \nATOM 221 HD2 LYS A 245 46.616 15.913 54.894 1.00 0.06 H \nATOM 222 HD3 LYS A 245 45.082 16.496 55.624 1.00 0.06 H \nATOM 223 HE2 LYS A 245 44.022 15.725 53.347 1.00 0.11 H \nATOM 224 HE3 LYS A 245 45.520 14.747 53.192 1.00 0.11 H \nATOM 225 HZ1 LYS A 245 43.591 14.586 55.435 1.00 0.34 H \nATOM 226 HZ2 LYS A 245 43.724 13.501 54.205 1.00 0.34 H \nATOM 227 HZ3 LYS A 245 44.958 13.682 55.279 1.00 0.34 H \nATOM 228 H LYS A 245 47.283 19.530 51.823 1.00 0.27 H \nATOM 229 N HIS A 246 48.691 20.061 55.638 1.00 -0.42 N \nATOM 230 CA HIS A 246 49.869 20.597 56.331 1.00 0.02 C \nATOM 231 C HIS A 246 51.216 20.425 55.594 1.00 0.60 C \nATOM 232 O HIS A 246 51.351 19.593 54.687 1.00 -0.57 O \nATOM 233 CB HIS A 246 49.971 19.958 57.722 1.00 -0.05 C \nATOM 234 CG HIS A 246 49.993 18.457 57.703 1.00 -0.03 C \nATOM 235 ND1 HIS A 246 49.033 17.690 58.334 1.00 -0.38 N \nATOM 236 CD2 HIS A 246 50.861 17.580 57.137 1.00 0.13 C \nATOM 237 CE1 HIS A 246 49.309 16.409 58.158 1.00 0.21 C \nATOM 238 NE2 HIS A 246 50.411 16.314 57.436 1.00 -0.57 N \nATOM 239 HA HIS A 246 49.706 21.677 56.457 1.00 0.09 H \nATOM 240 HB2 HIS A 246 50.897 20.312 58.198 1.00 0.04 H \nATOM 241 HB3 HIS A 246 49.105 20.284 58.317 1.00 0.04 H \nATOM 242 HD2 HIS A 246 51.747 17.831 56.556 1.00 0.11 H \nATOM 243 HE1 HIS A 246 48.726 15.574 58.543 1.00 0.14 H \nATOM 244 HD1 HIS A 246 48.228 18.059 58.860 1.00 0.36 H \nATOM 245 H HIS A 246 48.216 19.284 56.050 1.00 0.27 H \nATOM 246 N LYS A 247 52.216 21.184 56.029 1.00 -0.35 N \nATOM 247 CA LYS A 247 53.569 21.069 55.495 1.00 -0.24 C \nATOM 248 C LYS A 247 54.152 19.695 55.815 1.00 0.73 C \nATOM 249 O LYS A 247 53.917 19.157 56.891 1.00 -0.59 O \nATOM 250 CB LYS A 247 54.457 22.162 56.088 1.00 -0.01 C \nATOM 251 CG LYS A 247 55.773 22.364 55.361 1.00 0.02 C \nATOM 252 CD LYS A 247 55.788 23.681 54.609 1.00 -0.05 C \nATOM 253 CE LYS A 247 56.300 24.812 55.483 1.00 -0.01 C \nATOM 254 NZ LYS A 247 56.272 26.114 54.763 1.00 -0.39 N \nATOM 255 HA LYS A 247 53.531 21.193 54.403 1.00 0.14 H \nATOM 256 HB2 LYS A 247 53.900 23.110 56.061 1.00 0.04 H \nATOM 257 HB3 LYS A 247 54.678 21.897 57.132 1.00 0.04 H \nATOM 258 HG2 LYS A 247 56.592 22.360 56.095 1.00 0.01 H \nATOM 259 HG3 LYS A 247 55.918 21.541 54.646 1.00 0.01 H \nATOM 260 HD2 LYS A 247 56.442 23.584 53.730 1.00 0.06 H \nATOM 261 HD3 LYS A 247 54.765 23.917 54.281 1.00 0.06 H \nATOM 262 HE2 LYS A 247 55.667 24.886 56.379 1.00 0.11 H \nATOM 263 HE3 LYS A 247 57.335 24.592 55.783 1.00 0.11 H \nATOM 264 HZ1 LYS A 247 55.327 26.322 54.481 1.00 0.34 H \nATOM 265 HZ2 LYS A 247 56.608 26.843 55.373 1.00 0.34 H \nATOM 266 HZ3 LYS A 247 56.862 26.060 53.947 1.00 0.34 H \nATOM 267 H LYS A 247 52.035 21.857 56.747 1.00 0.27 H \nATOM 268 N LEU A 248 54.907 19.127 54.879 1.00 -0.42 N \nATOM 269 CA LEU A 248 55.448 17.779 55.064 1.00 -0.05 C \nATOM 270 C LEU A 248 56.660 17.713 55.997 1.00 0.60 C \nATOM 271 O LEU A 248 57.512 18.616 55.999 1.00 -0.57 O \nATOM 272 CB LEU A 248 55.823 17.153 53.716 1.00 -0.11 C \nATOM 273 CG LEU A 248 54.688 16.525 52.905 1.00 0.35 C \nATOM 274 CD1 LEU A 248 55.230 16.060 51.562 1.00 -0.41 C \nATOM 275 CD2 LEU A 248 54.060 15.365 53.668 1.00 -0.41 C \nATOM 276 HA LEU A 248 54.651 17.169 55.515 1.00 0.09 H \nATOM 277 HB2 LEU A 248 56.276 17.942 53.098 1.00 0.05 H \nATOM 278 HB3 LEU A 248 56.567 16.367 53.910 1.00 0.05 H \nATOM 279 HG LEU A 248 53.914 17.287 52.730 1.00 -0.04 H \nATOM 280 HD21 LEU A 248 53.664 15.729 54.628 1.00 0.10 H \nATOM 281 HD22 LEU A 248 53.241 14.935 53.073 1.00 0.10 H \nATOM 282 HD23 LEU A 248 54.822 14.594 53.855 1.00 0.10 H \nATOM 283 HD11 LEU A 248 56.030 15.323 51.725 1.00 0.10 H \nATOM 284 HD12 LEU A 248 54.419 15.598 50.979 1.00 0.10 H \nATOM 285 HD13 LEU A 248 55.633 16.922 51.011 1.00 0.10 H \nATOM 286 H LEU A 248 55.108 19.628 54.037 1.00 0.27 H \nATOM 287 N GLY A 249 56.724 16.633 56.779 1.00 -0.42 N \nATOM 288 CA GLY A 249 57.835 16.370 57.680 1.00 -0.03 C \nATOM 289 C GLY A 249 58.220 17.536 58.575 1.00 0.60 C \nATOM 290 O GLY A 249 59.406 17.829 58.745 1.00 -0.57 O \nATOM 291 HA3 GLY A 249 57.560 15.521 58.323 1.00 0.07 H \nATOM 292 HA2 GLY A 249 58.712 16.101 57.073 1.00 0.07 H \nATOM 293 H GLY A 249 55.973 15.974 56.744 1.00 0.27 H \nATOM 294 N GLY A 250 57.217 18.210 59.139 1.00 -0.42 N \nATOM 295 CA GLY A 250 57.453 19.338 60.026 1.00 -0.03 C \nATOM 296 C GLY A 250 58.339 20.453 59.481 1.00 0.60 C \nATOM 297 O GLY A 250 59.012 21.148 60.249 1.00 -0.57 O \nATOM 298 HA3 GLY A 250 56.476 19.778 60.276 1.00 0.07 H \nATOM 299 HA2 GLY A 250 57.926 18.952 60.941 1.00 0.07 H \nATOM 300 H GLY A 250 56.276 17.932 58.947 1.00 0.27 H \nATOM 301 N GLY A 251 58.354 20.628 58.162 1.00 -0.42 N \nATOM 302 CA GLY A 251 59.052 21.753 57.563 1.00 -0.03 C \nATOM 303 C GLY A 251 60.465 21.503 57.070 1.00 0.60 C \nATOM 304 O GLY A 251 61.066 22.385 56.453 1.00 -0.57 O \nATOM 305 HA3 GLY A 251 58.456 22.094 56.704 1.00 0.07 H \nATOM 306 HA2 GLY A 251 59.100 22.553 58.316 1.00 0.07 H \nATOM 307 H GLY A 251 57.877 19.975 57.574 1.00 0.27 H \nATOM 308 N GLN A 252 61.000 20.310 57.321 1.00 -0.42 N \nATOM 309 CA GLN A 252 62.387 20.014 56.947 1.00 -0.00 C \nATOM 310 C GLN A 252 62.639 20.116 55.442 1.00 0.60 C \nATOM 311 O GLN A 252 63.775 20.329 55.006 1.00 -0.57 O \nATOM 312 CB GLN A 252 62.814 18.626 57.456 1.00 -0.00 C \nATOM 313 CG GLN A 252 61.870 17.502 57.049 1.00 -0.06 C \nATOM 314 CD GLN A 252 62.324 16.123 57.510 1.00 0.70 C \nATOM 315 OE1 GLN A 252 63.471 15.722 57.282 1.00 -0.61 O \nATOM 316 NE2 GLN A 252 61.416 15.385 58.156 1.00 -0.94 N \nATOM 317 HA GLN A 252 63.024 20.764 57.439 1.00 0.09 H \nATOM 318 HB2 GLN A 252 63.813 18.402 57.054 1.00 0.02 H \nATOM 319 HB3 GLN A 252 62.860 18.659 58.555 1.00 0.02 H \nATOM 320 HG2 GLN A 252 60.880 17.705 57.484 1.00 0.04 H \nATOM 321 HG3 GLN A 252 61.793 17.493 55.952 1.00 0.04 H \nATOM 322 HE22 GLN A 252 61.656 14.471 58.483 1.00 0.43 H \nATOM 323 HE21 GLN A 252 60.497 15.747 58.312 1.00 0.43 H \nATOM 324 H GLN A 252 60.449 19.607 57.770 1.00 0.27 H \nATOM 325 N TYR A 253 61.583 19.968 54.648 1.00 -0.42 N \nATOM 326 CA TYR A 253 61.750 19.917 53.200 1.00 -0.00 C \nATOM 327 C TYR A 253 61.651 21.291 52.506 1.00 0.60 C \nATOM 328 O TYR A 253 61.793 21.386 51.285 1.00 -0.57 O \nATOM 329 CB TYR A 253 60.753 18.919 52.580 1.00 -0.02 C \nATOM 330 CG TYR A 253 60.795 17.521 53.182 1.00 -0.00 C \nATOM 331 CD1 TYR A 253 59.729 17.038 53.932 1.00 -0.19 C \nATOM 332 CD2 TYR A 253 61.908 16.691 53.006 1.00 -0.19 C \nATOM 333 CE1 TYR A 253 59.753 15.764 54.483 1.00 -0.23 C \nATOM 334 CE2 TYR A 253 61.950 15.409 53.564 1.00 -0.23 C \nATOM 335 CZ TYR A 253 60.858 14.950 54.296 1.00 0.32 C \nATOM 336 OH TYR A 253 60.867 13.685 54.854 1.00 -0.56 O \nATOM 337 HA TYR A 253 62.764 19.536 53.008 1.00 0.09 H \nATOM 338 HB3 TYR A 253 59.738 19.320 52.715 1.00 0.03 H \nATOM 339 HB2 TYR A 253 60.974 18.836 51.506 1.00 0.03 H \nATOM 340 HD2 TYR A 253 62.752 17.048 52.427 1.00 0.17 H \nATOM 341 HE2 TYR A 253 62.822 14.780 53.428 1.00 0.17 H \nATOM 342 HE1 TYR A 253 58.907 15.406 55.059 1.00 0.17 H \nATOM 343 HD1 TYR A 253 58.862 17.669 54.090 1.00 0.17 H \nATOM 344 HH TYR A 253 60.049 13.536 55.314 1.00 0.40 H \nATOM 345 H TYR A 253 60.669 19.891 55.046 1.00 0.27 H \nATOM 346 N GLY A 254 61.464 22.362 53.277 1.00 -0.42 N \nATOM 347 CA GLY A 254 61.190 23.660 52.680 1.00 -0.03 C \nATOM 348 C GLY A 254 59.684 23.807 52.527 1.00 0.60 C \nATOM 349 O GLY A 254 58.931 23.328 53.382 1.00 -0.57 O \nATOM 350 HA3 GLY A 254 61.577 24.458 53.331 1.00 0.07 H \nATOM 351 HA2 GLY A 254 61.672 23.725 51.693 1.00 0.07 H \nATOM 352 H GLY A 254 61.512 22.273 54.272 1.00 0.27 H \nATOM 353 N GLU A 255 59.205 24.470 51.478 1.00 -0.52 N \nATOM 354 CA GLU A 255 57.757 24.528 51.352 1.00 0.04 C \nATOM 355 C GLU A 255 57.263 23.387 50.470 1.00 0.54 C \nATOM 356 O GLU A 255 57.191 23.493 49.235 1.00 -0.58 O \nATOM 357 CB GLU A 255 57.350 25.873 50.760 1.00 0.06 C \nATOM 358 CG GLU A 255 57.829 27.049 51.584 1.00 0.01 C \nATOM 359 CD GLU A 255 56.714 27.666 52.399 1.00 0.81 C \nATOM 360 OE1 GLU A 255 55.625 27.891 51.827 1.00 -0.82 O \nATOM 361 OE2 GLU A 255 56.918 27.913 53.609 1.00 -0.82 O \nATOM 362 HA GLU A 255 57.306 24.426 52.350 1.00 0.11 H \nATOM 363 HB2 GLU A 255 57.777 25.955 49.750 1.00 -0.02 H \nATOM 364 HB3 GLU A 255 56.252 25.912 50.698 1.00 -0.02 H \nATOM 365 HG2 GLU A 255 58.619 26.705 52.268 1.00 -0.04 H \nATOM 366 HG3 GLU A 255 58.238 27.813 50.907 1.00 -0.04 H \nATOM 367 H GLU A 255 59.809 24.906 50.811 1.00 0.29 H \nATOM 368 N VAL A 256 56.825 22.328 51.144 1.00 -0.42 N \nATOM 369 CA VAL A 256 56.303 21.145 50.491 1.00 -0.09 C \nATOM 370 C VAL A 256 55.193 20.626 51.368 1.00 0.60 C \nATOM 371 O VAL A 256 55.393 20.423 52.577 1.00 -0.57 O \nATOM 372 CB VAL A 256 57.363 20.051 50.311 1.00 0.30 C \nATOM 373 CG1 VAL A 256 56.799 18.912 49.482 1.00 -0.32 C \nATOM 374 CG2 VAL A 256 58.617 20.615 49.648 1.00 -0.32 C \nATOM 375 HA VAL A 256 55.906 21.419 49.503 1.00 0.10 H \nATOM 376 HB VAL A 256 57.637 19.662 51.303 1.00 -0.03 H \nATOM 377 HG11 VAL A 256 56.490 19.293 48.498 1.00 0.08 H \nATOM 378 HG12 VAL A 256 57.569 18.138 49.350 1.00 0.08 H \nATOM 379 HG13 VAL A 256 55.929 18.479 49.997 1.00 0.08 H \nATOM 380 HG21 VAL A 256 59.030 21.422 50.271 1.00 0.08 H \nATOM 381 HG22 VAL A 256 59.365 19.816 49.539 1.00 0.08 H \nATOM 382 HG23 VAL A 256 58.359 21.014 48.656 1.00 0.08 H \nATOM 383 H VAL A 256 56.857 22.349 52.143 1.00 0.27 H \nATOM 384 N TYR A 257 54.043 20.373 50.746 1.00 -0.42 N \nATOM 385 CA TYR A 257 52.816 20.092 51.479 1.00 -0.00 C \nATOM 386 C TYR A 257 52.218 18.742 51.140 1.00 0.60 C \nATOM 387 O TYR A 257 52.227 18.325 49.977 1.00 -0.57 O \nATOM 388 CB TYR A 257 51.782 21.185 51.182 1.00 -0.02 C \nATOM 389 CG TYR A 257 52.226 22.541 51.672 1.00 -0.00 C \nATOM 390 CD1 TYR A 257 53.126 23.307 50.937 1.00 -0.19 C \nATOM 391 CD2 TYR A 257 51.784 23.037 52.891 1.00 -0.19 C \nATOM 392 CE1 TYR A 257 53.557 24.533 51.394 1.00 -0.23 C \nATOM 393 CE2 TYR A 257 52.203 24.263 53.354 1.00 -0.23 C \nATOM 394 CZ TYR A 257 53.090 25.011 52.605 1.00 0.32 C \nATOM 395 OH TYR A 257 53.513 26.241 53.072 1.00 -0.56 O \nATOM 396 HA TYR A 257 53.049 20.104 52.554 1.00 0.09 H \nATOM 397 HB3 TYR A 257 51.624 21.236 50.095 1.00 0.03 H \nATOM 398 HB2 TYR A 257 50.836 20.922 51.678 1.00 0.03 H \nATOM 399 HD2 TYR A 257 51.097 22.448 53.488 1.00 0.17 H \nATOM 400 HE2 TYR A 257 51.838 24.640 54.303 1.00 0.17 H \nATOM 401 HE1 TYR A 257 54.257 25.119 50.809 1.00 0.17 H \nATOM 402 HD1 TYR A 257 53.494 22.932 49.989 1.00 0.17 H \nATOM 403 HH TYR A 257 54.115 26.627 52.447 1.00 0.40 H \nATOM 404 H TYR A 257 54.021 20.376 49.746 1.00 0.27 H \nATOM 405 N GLU A 258 51.719 18.055 52.164 1.00 -0.52 N \nATOM 406 CA GLU A 258 50.822 16.937 51.946 1.00 0.04 C \nATOM 407 C GLU A 258 49.579 17.530 51.271 1.00 0.54 C \nATOM 408 O GLU A 258 49.150 18.639 51.600 1.00 -0.58 O \nATOM 409 CB GLU A 258 50.450 16.275 53.282 1.00 0.06 C \nATOM 410 CG GLU A 258 49.560 15.025 53.173 1.00 0.01 C \nATOM 411 CD GLU A 258 49.460 14.249 54.498 1.00 0.81 C \nATOM 412 OE1 GLU A 258 48.645 13.297 54.573 1.00 -0.82 O \nATOM 413 OE2 GLU A 258 50.198 14.580 55.465 1.00 -0.82 O \nATOM 414 HA GLU A 258 51.294 16.191 51.289 1.00 0.11 H \nATOM 415 HB2 GLU A 258 51.382 15.985 53.788 1.00 -0.02 H \nATOM 416 HB3 GLU A 258 49.917 17.019 53.893 1.00 -0.02 H \nATOM 417 HG2 GLU A 258 48.549 15.338 52.871 1.00 -0.04 H \nATOM 418 HG3 GLU A 258 49.982 14.359 52.406 1.00 -0.04 H \nATOM 419 H GLU A 258 51.966 18.313 53.098 1.00 0.29 H \nATOM 420 N GLY A 259 49.019 16.799 50.315 1.00 -0.42 N \nATOM 421 CA GLY A 259 47.849 17.259 49.593 1.00 -0.03 C \nATOM 422 C GLY A 259 47.028 16.058 49.160 1.00 0.60 C \nATOM 423 O GLY A 259 47.540 14.930 49.088 1.00 -0.57 O \nATOM 424 HA3 GLY A 259 47.243 17.903 50.247 1.00 0.07 H \nATOM 425 HA2 GLY A 259 48.164 17.829 48.706 1.00 0.07 H \nATOM 426 H GLY A 259 49.414 15.909 50.087 1.00 0.27 H \nATOM 427 N VAL A 260 45.751 16.294 48.884 1.00 -0.42 N \nATOM 428 CA VAL A 260 44.893 15.253 48.371 1.00 -0.09 C \nATOM 429 C VAL A 260 44.445 15.610 46.967 1.00 0.60 C \nATOM 430 O VAL A 260 43.832 16.663 46.737 1.00 -0.57 O \nATOM 431 CB VAL A 260 43.634 15.060 49.264 1.00 0.30 C \nATOM 432 CG1 VAL A 260 42.629 14.206 48.551 1.00 -0.32 C \nATOM 433 CG2 VAL A 260 44.030 14.430 50.597 1.00 -0.32 C \nATOM 434 HA VAL A 260 45.459 14.310 48.343 1.00 0.10 H \nATOM 435 HB VAL A 260 43.184 16.044 49.460 1.00 -0.03 H \nATOM 436 HG11 VAL A 260 43.076 13.227 48.323 1.00 0.08 H \nATOM 437 HG12 VAL A 260 41.746 14.066 49.192 1.00 0.08 H \nATOM 438 HG13 VAL A 260 42.327 14.699 47.615 1.00 0.08 H \nATOM 439 HG21 VAL A 260 44.752 15.082 51.111 1.00 0.08 H \nATOM 440 HG22 VAL A 260 43.135 14.307 51.225 1.00 0.08 H \nATOM 441 HG23 VAL A 260 44.489 13.447 50.416 1.00 0.08 H \nATOM 442 H VAL A 260 45.377 17.209 49.034 1.00 0.27 H \nATOM 443 N TRP A 261 44.711 14.716 46.024 1.00 -0.42 N \nATOM 444 CA TRP A 261 44.218 14.931 44.680 1.00 -0.03 C \nATOM 445 C TRP A 261 42.833 14.249 44.654 1.00 0.60 C \nATOM 446 O TRP A 261 42.729 13.018 44.602 1.00 -0.57 O \nATOM 447 CB TRP A 261 45.189 14.318 43.658 1.00 -0.01 C \nATOM 448 CG TRP A 261 44.950 14.793 42.247 1.00 -0.14 C \nATOM 449 CD1 TRP A 261 43.751 15.191 41.707 1.00 -0.16 C \nATOM 450 CD2 TRP A 261 45.929 14.954 41.211 1.00 0.12 C \nATOM 451 NE1 TRP A 261 43.927 15.567 40.399 1.00 -0.34 N \nATOM 452 CE2 TRP A 261 45.254 15.438 40.070 1.00 0.14 C \nATOM 453 CE3 TRP A 261 47.313 14.738 41.134 1.00 -0.24 C \nATOM 454 CZ2 TRP A 261 45.913 15.706 38.866 1.00 -0.26 C \nATOM 455 CZ3 TRP A 261 47.970 15.007 39.929 1.00 -0.20 C \nATOM 456 CH2 TRP A 261 47.268 15.484 38.815 1.00 -0.11 C \nATOM 457 HA TRP A 261 44.113 16.007 44.475 1.00 0.11 H \nATOM 458 HB2 TRP A 261 46.216 14.587 43.947 1.00 0.03 H \nATOM 459 HB3 TRP A 261 45.076 13.224 43.682 1.00 0.03 H \nATOM 460 HE1 TRP A 261 43.183 15.894 39.766 1.00 0.34 H \nATOM 461 HD1 TRP A 261 42.801 15.206 42.239 1.00 0.21 H \nATOM 462 HZ2 TRP A 261 45.373 16.076 38.002 1.00 0.16 H \nATOM 463 HH2 TRP A 261 47.804 15.682 37.894 1.00 0.14 H \nATOM 464 HZ3 TRP A 261 49.039 14.844 39.856 1.00 0.14 H \nATOM 465 HE3 TRP A 261 47.863 14.369 41.992 1.00 0.17 H \nATOM 466 H TRP A 261 45.248 13.900 46.240 1.00 0.27 H \nATOM 467 N LYS A 262 41.783 15.067 44.651 1.00 -0.35 N \nATOM 468 CA LYS A 262 40.441 14.595 45.001 1.00 -0.24 C \nATOM 469 C LYS A 262 39.879 13.579 44.023 1.00 0.73 C \nATOM 470 O LYS A 262 39.328 12.562 44.427 1.00 -0.59 O \nATOM 471 CB LYS A 262 39.461 15.764 45.147 1.00 -0.01 C \nATOM 472 CG LYS A 262 39.396 16.334 46.549 1.00 0.02 C \nATOM 473 CD LYS A 262 39.742 17.807 46.560 1.00 -0.05 C \nATOM 474 CE LYS A 262 38.797 18.610 45.704 1.00 -0.01 C \nATOM 475 NZ LYS A 262 38.966 20.079 45.890 1.00 -0.39 N \nATOM 476 HA LYS A 262 40.520 14.099 45.979 1.00 0.14 H \nATOM 477 HB2 LYS A 262 39.772 16.565 44.461 1.00 0.04 H \nATOM 478 HB3 LYS A 262 38.457 15.412 44.869 1.00 0.04 H \nATOM 479 HG2 LYS A 262 38.377 16.202 46.943 1.00 0.01 H \nATOM 480 HG3 LYS A 262 40.109 15.794 47.189 1.00 0.01 H \nATOM 481 HD2 LYS A 262 39.688 18.178 47.594 1.00 0.06 H \nATOM 482 HD3 LYS A 262 40.765 17.935 46.177 1.00 0.06 H \nATOM 483 HE2 LYS A 262 38.983 18.365 44.648 1.00 0.11 H \nATOM 484 HE3 LYS A 262 37.764 18.338 45.968 1.00 0.11 H \nATOM 485 HZ1 LYS A 262 39.910 20.341 45.653 1.00 0.34 H \nATOM 486 HZ2 LYS A 262 38.321 20.570 45.291 1.00 0.34 H \nATOM 487 HZ3 LYS A 262 38.782 20.319 46.851 1.00 0.34 H \nATOM 488 H LYS A 262 41.913 16.027 44.404 1.00 0.27 H \nATOM 489 N LYS A 263 40.028 13.857 42.736 1.00 -0.35 N \nATOM 490 CA LYS A 263 39.527 12.969 41.711 1.00 -0.24 C \nATOM 491 C LYS A 263 39.942 11.526 42.009 1.00 0.73 C \nATOM 492 O LYS A 263 39.085 10.620 42.100 1.00 -0.59 O \nATOM 493 CB LYS A 263 40.080 13.415 40.362 1.00 -0.01 C \nATOM 494 CG LYS A 263 39.925 12.387 39.264 1.00 0.02 C \nATOM 495 CD LYS A 263 39.810 13.086 37.926 1.00 -0.05 C \nATOM 496 CE LYS A 263 40.617 14.366 37.946 1.00 -0.01 C \nATOM 497 NZ LYS A 263 40.591 15.031 36.617 1.00 -0.39 N \nATOM 498 HA LYS A 263 38.429 13.026 41.688 1.00 0.14 H \nATOM 499 HB2 LYS A 263 39.551 14.330 40.057 1.00 0.04 H \nATOM 500 HB3 LYS A 263 41.151 13.634 40.482 1.00 0.04 H \nATOM 501 HG2 LYS A 263 40.803 11.724 39.256 1.00 0.01 H \nATOM 502 HG3 LYS A 263 39.018 11.792 39.445 1.00 0.01 H \nATOM 503 HD2 LYS A 263 40.193 12.425 37.134 1.00 0.06 H \nATOM 504 HD3 LYS A 263 38.754 13.323 37.727 1.00 0.06 H \nATOM 505 HE2 LYS A 263 40.193 15.047 38.698 1.00 0.11 H \nATOM 506 HE3 LYS A 263 41.658 14.131 38.211 1.00 0.11 H \nATOM 507 HZ1 LYS A 263 39.638 15.244 36.366 1.00 0.34 H \nATOM 508 HZ2 LYS A 263 41.126 15.884 36.658 1.00 0.34 H \nATOM 509 HZ3 LYS A 263 40.991 14.416 35.926 1.00 0.34 H \nATOM 510 H LYS A 263 40.497 14.699 42.468 1.00 0.27 H \nATOM 511 N TYR A 264 41.250 11.340 42.199 1.00 -0.42 N \nATOM 512 CA TYR A 264 41.872 10.025 42.345 1.00 -0.00 C \nATOM 513 C TYR A 264 41.980 9.539 43.787 1.00 0.60 C \nATOM 514 O TYR A 264 42.673 8.554 44.041 1.00 -0.57 O \nATOM 515 CB TYR A 264 43.273 10.014 41.707 1.00 -0.02 C \nATOM 516 CG TYR A 264 43.327 10.623 40.321 1.00 -0.00 C \nATOM 517 CD1 TYR A 264 43.968 11.833 40.095 1.00 -0.19 C \nATOM 518 CD2 TYR A 264 42.731 9.989 39.239 1.00 -0.19 C \nATOM 519 CE1 TYR A 264 44.015 12.393 38.829 1.00 -0.23 C \nATOM 520 CE2 TYR A 264 42.774 10.541 37.973 1.00 -0.23 C \nATOM 521 CZ TYR A 264 43.415 11.743 37.773 1.00 0.32 C \nATOM 522 OH TYR A 264 43.452 12.293 36.507 1.00 -0.56 O \nATOM 523 HA TYR A 264 41.242 9.306 41.801 1.00 0.09 H \nATOM 524 HB3 TYR A 264 43.954 10.580 42.360 1.00 0.03 H \nATOM 525 HB2 TYR A 264 43.613 8.970 41.639 1.00 0.03 H \nATOM 526 HD2 TYR A 264 42.223 9.044 39.390 1.00 0.17 H \nATOM 527 HE2 TYR A 264 42.305 10.030 37.140 1.00 0.17 H \nATOM 528 HE1 TYR A 264 44.521 13.338 38.670 1.00 0.17 H \nATOM 529 HD1 TYR A 264 44.440 12.349 40.923 1.00 0.17 H \nATOM 530 HH TYR A 264 43.927 13.115 36.533 1.00 0.40 H \nATOM 531 H TYR A 264 41.839 12.147 42.244 1.00 0.27 H \nATOM 532 N SER A 265 41.378 10.268 44.728 1.00 -0.42 N \nATOM 533 CA SER A 265 41.437 9.909 46.151 1.00 -0.02 C \nATOM 534 C SER A 265 42.890 9.698 46.646 1.00 0.60 C \nATOM 535 O SER A 265 43.144 8.892 47.558 1.00 -0.57 O \nATOM 536 CB SER A 265 40.586 8.662 46.422 1.00 0.21 C \nATOM 537 OG SER A 265 39.308 8.781 45.784 1.00 -0.65 O \nATOM 538 HA SER A 265 41.008 10.744 46.724 1.00 0.08 H \nATOM 539 HB2 SER A 265 41.106 7.776 46.029 1.00 0.04 H \nATOM 540 HB3 SER A 265 40.441 8.551 47.507 1.00 0.04 H \nATOM 541 HG SER A 265 38.792 8.003 45.960 1.00 0.43 H \nATOM 542 H SER A 265 40.870 11.085 44.456 1.00 0.27 H \nATOM 543 N LEU A 266 43.828 10.456 46.069 1.00 -0.42 N \nATOM 544 CA LEU A 266 45.262 10.182 46.233 1.00 -0.05 C \nATOM 545 C LEU A 266 46.024 11.224 47.065 1.00 0.60 C \nATOM 546 O LEU A 266 45.977 12.419 46.767 1.00 -0.57 O \nATOM 547 CB LEU A 266 45.912 10.048 44.849 1.00 -0.11 C \nATOM 548 CG LEU A 266 47.382 9.658 44.745 1.00 0.35 C \nATOM 549 CD1 LEU A 266 47.549 8.174 45.049 1.00 -0.41 C \nATOM 550 CD2 LEU A 266 47.918 9.991 43.345 1.00 -0.41 C \nATOM 551 HA LEU A 266 45.354 9.218 46.754 1.00 0.09 H \nATOM 552 HB2 LEU A 266 45.339 9.287 44.299 1.00 0.05 H \nATOM 553 HB3 LEU A 266 45.803 11.022 44.349 1.00 0.05 H \nATOM 554 HG LEU A 266 47.954 10.235 45.486 1.00 -0.04 H \nATOM 555 HD21 LEU A 266 47.808 11.069 43.157 1.00 0.10 H \nATOM 556 HD22 LEU A 266 48.981 9.715 43.284 1.00 0.10 H \nATOM 557 HD23 LEU A 266 47.349 9.427 42.591 1.00 0.10 H \nATOM 558 HD11 LEU A 266 46.957 7.584 44.333 1.00 0.10 H \nATOM 559 HD12 LEU A 266 48.610 7.899 44.962 1.00 0.10 H \nATOM 560 HD13 LEU A 266 47.200 7.968 46.071 1.00 0.10 H \nATOM 561 H LEU A 266 43.545 11.234 45.508 1.00 0.27 H \nATOM 562 N THR A 267 46.718 10.769 48.108 1.00 -0.42 N \nATOM 563 CA THR A 267 47.634 11.639 48.844 1.00 -0.04 C \nATOM 564 C THR A 267 48.870 11.917 47.976 1.00 0.60 C \nATOM 565 O THR A 267 49.457 10.995 47.386 1.00 -0.57 O \nATOM 566 CB THR A 267 48.066 11.026 50.188 1.00 0.37 C \nATOM 567 OG1 THR A 267 46.930 10.945 51.061 1.00 -0.68 O \nATOM 568 CG2 THR A 267 49.156 11.884 50.862 1.00 -0.24 C \nATOM 569 HA THR A 267 47.121 12.590 49.048 1.00 0.10 H \nATOM 570 HB THR A 267 48.463 10.016 50.010 1.00 0.00 H \nATOM 571 HG1 THR A 267 47.195 10.567 51.891 1.00 0.41 H \nATOM 572 HG23 THR A 267 50.145 11.446 50.660 1.00 0.06 H \nATOM 573 HG21 THR A 267 49.119 12.907 50.459 1.00 0.06 H \nATOM 574 HG22 THR A 267 48.982 11.911 51.948 1.00 0.06 H \nATOM 575 H THR A 267 46.610 9.816 48.392 1.00 0.27 H \nATOM 576 N VAL A 268 49.245 13.192 47.881 1.00 -0.42 N \nATOM 577 CA VAL A 268 50.388 13.614 47.054 1.00 -0.09 C \nATOM 578 C VAL A 268 51.251 14.605 47.823 1.00 0.60 C \nATOM 579 O VAL A 268 50.826 15.116 48.873 1.00 -0.57 O \nATOM 580 CB VAL A 268 49.927 14.310 45.747 1.00 0.30 C \nATOM 581 CG1 VAL A 268 49.137 13.339 44.845 1.00 -0.32 C \nATOM 582 CG2 VAL A 268 49.072 15.536 46.072 1.00 -0.32 C \nATOM 583 HA VAL A 268 50.986 12.726 46.799 1.00 0.10 H \nATOM 584 HB VAL A 268 50.821 14.642 45.199 1.00 -0.03 H \nATOM 585 HG11 VAL A 268 48.253 12.972 45.387 1.00 0.08 H \nATOM 586 HG12 VAL A 268 48.816 13.864 43.933 1.00 0.08 H \nATOM 587 HG13 VAL A 268 49.779 12.488 44.572 1.00 0.08 H \nATOM 588 HG21 VAL A 268 49.659 16.242 46.677 1.00 0.08 H \nATOM 589 HG22 VAL A 268 48.761 16.025 45.137 1.00 0.08 H \nATOM 590 HG23 VAL A 268 48.181 15.223 46.636 1.00 0.08 H \nATOM 591 H VAL A 268 48.733 13.885 48.388 1.00 0.27 H \nATOM 592 N ALA A 269 52.437 14.888 47.297 1.00 -0.42 N \nATOM 593 CA ALA A 269 53.299 15.918 47.852 1.00 0.03 C \nATOM 594 C ALA A 269 53.294 17.110 46.909 1.00 0.60 C \nATOM 595 O ALA A 269 53.435 16.950 45.701 1.00 -0.57 O \nATOM 596 CB ALA A 269 54.710 15.389 48.040 1.00 -0.18 C \nATOM 597 HA ALA A 269 52.905 16.230 48.831 1.00 0.08 H \nATOM 598 HB1 ALA A 269 55.346 16.182 48.460 1.00 0.06 H \nATOM 599 HB2 ALA A 269 54.691 14.531 48.728 1.00 0.06 H \nATOM 600 HB3 ALA A 269 55.115 15.071 47.068 1.00 0.06 H \nATOM 601 H ALA A 269 52.746 14.377 46.495 1.00 0.27 H \nATOM 602 N VAL A 270 53.121 18.305 47.458 1.00 -0.42 N \nATOM 603 CA VAL A 270 53.030 19.501 46.632 1.00 -0.09 C \nATOM 604 C VAL A 270 54.090 20.538 46.977 1.00 0.60 C \nATOM 605 O VAL A 270 54.110 21.078 48.080 1.00 -0.57 O \nATOM 606 CB VAL A 270 51.637 20.152 46.735 1.00 0.30 C \nATOM 607 CG1 VAL A 270 51.465 21.205 45.653 1.00 -0.32 C \nATOM 608 CG2 VAL A 270 50.548 19.097 46.636 1.00 -0.32 C \nATOM 609 HA VAL A 270 53.187 19.192 45.588 1.00 0.10 H \nATOM 610 HB VAL A 270 51.555 20.645 47.715 1.00 -0.03 H \nATOM 611 HG11 VAL A 270 51.579 20.737 44.664 1.00 0.08 H \nATOM 612 HG12 VAL A 270 50.463 21.653 45.733 1.00 0.08 H \nATOM 613 HG13 VAL A 270 52.228 21.988 45.779 1.00 0.08 H \nATOM 614 HG21 VAL A 270 50.671 18.366 47.449 1.00 0.08 H \nATOM 615 HG22 VAL A 270 49.563 19.578 46.722 1.00 0.08 H \nATOM 616 HG23 VAL A 270 50.622 18.583 45.666 1.00 0.08 H \nATOM 617 H VAL A 270 53.052 18.386 48.452 1.00 0.27 H \nATOM 618 N LYS A 271 54.966 20.812 46.017 1.00 -0.35 N \nATOM 619 CA LYS A 271 55.979 21.846 46.169 1.00 -0.24 C \nATOM 620 C LYS A 271 55.435 23.157 45.625 1.00 0.73 C \nATOM 621 O LYS A 271 55.089 23.250 44.451 1.00 -0.59 O \nATOM 622 CB LYS A 271 57.254 21.462 45.421 1.00 -0.01 C \nATOM 623 CG LYS A 271 58.059 20.355 46.077 1.00 0.02 C \nATOM 624 CD LYS A 271 59.375 20.136 45.351 1.00 -0.05 C \nATOM 625 CE LYS A 271 60.112 21.448 45.141 1.00 -0.01 C \nATOM 626 NZ LYS A 271 61.580 21.249 45.019 1.00 -0.39 N \nATOM 627 HA LYS A 271 56.214 21.966 47.237 1.00 0.14 H \nATOM 628 HB2 LYS A 271 56.973 21.130 44.411 1.00 0.04 H \nATOM 629 HB3 LYS A 271 57.892 22.355 45.349 1.00 0.04 H \nATOM 630 HG2 LYS A 271 58.266 20.631 47.121 1.00 0.01 H \nATOM 631 HG3 LYS A 271 57.475 19.423 46.053 1.00 0.01 H \nATOM 632 HD2 LYS A 271 60.006 19.461 45.948 1.00 0.06 H \nATOM 633 HD3 LYS A 271 59.173 19.678 44.372 1.00 0.06 H \nATOM 634 HE2 LYS A 271 59.740 21.921 44.220 1.00 0.11 H \nATOM 635 HE3 LYS A 271 59.913 22.108 45.998 1.00 0.11 H \nATOM 636 HZ1 LYS A 271 61.773 20.642 44.238 1.00 0.34 H \nATOM 637 HZ2 LYS A 271 62.029 22.140 44.872 1.00 0.34 H \nATOM 638 HZ3 LYS A 271 61.934 20.830 45.865 1.00 0.34 H \nATOM 639 H LYS A 271 54.928 20.292 45.164 1.00 0.27 H \nATOM 640 N THR A 272 55.356 24.167 46.483 1.00 -0.42 N \nATOM 641 CA THR A 272 54.779 25.448 46.099 1.00 -0.04 C \nATOM 642 C THR A 272 55.811 26.567 46.063 1.00 0.60 C \nATOM 643 O THR A 272 56.992 26.349 46.324 1.00 -0.57 O \nATOM 644 CB THR A 272 53.648 25.858 47.056 1.00 0.37 C \nATOM 645 OG1 THR A 272 54.210 26.283 48.303 1.00 -0.68 O \nATOM 646 CG2 THR A 272 52.711 24.689 47.302 1.00 -0.24 C \nATOM 647 HA THR A 272 54.358 25.336 45.089 1.00 0.10 H \nATOM 648 HB THR A 272 53.081 26.688 46.609 1.00 0.00 H \nATOM 649 HG1 THR A 272 53.512 26.537 48.895 1.00 0.41 H \nATOM 650 HG23 THR A 272 51.827 24.785 46.654 1.00 0.06 H \nATOM 651 HG21 THR A 272 53.232 23.747 47.074 1.00 0.06 H \nATOM 652 HG22 THR A 272 52.395 24.688 48.356 1.00 0.06 H \nATOM 653 H THR A 272 55.700 24.046 47.414 1.00 0.27 H \nATOM 654 N LEU A 273 55.349 27.770 45.740 1.00 -0.42 N \nATOM 655 CA LEU A 273 56.216 28.938 45.677 1.00 -0.05 C \nATOM 656 C LEU A 273 55.410 30.221 45.839 1.00 0.60 C \nATOM 657 O LEU A 273 54.634 30.590 44.959 1.00 -0.57 O \nATOM 658 CB LEU A 273 56.981 28.966 44.354 1.00 -0.11 C \nATOM 659 CG LEU A 273 58.100 30.002 44.262 1.00 0.35 C \nATOM 660 CD1 LEU A 273 59.079 29.827 45.411 1.00 -0.41 C \nATOM 661 CD2 LEU A 273 58.814 29.904 42.923 1.00 -0.41 C \nATOM 662 HA LEU A 273 56.943 28.876 46.501 1.00 0.09 H \nATOM 663 HB2 LEU A 273 57.426 27.972 44.199 1.00 0.05 H \nATOM 664 HB3 LEU A 273 56.260 29.174 43.550 1.00 0.05 H \nATOM 665 HG LEU A 273 57.651 31.003 44.340 1.00 -0.04 H \nATOM 666 HD21 LEU A 273 58.093 30.074 42.110 1.00 0.10 H \nATOM 667 HD22 LEU A 273 59.608 30.664 42.874 1.00 0.10 H \nATOM 668 HD23 LEU A 273 59.258 28.903 42.817 1.00 0.10 H \nATOM 669 HD11 LEU A 273 59.511 28.816 45.374 1.00 0.10 H \nATOM 670 HD12 LEU A 273 59.883 30.573 45.325 1.00 0.10 H \nATOM 671 HD13 LEU A 273 58.552 29.965 46.366 1.00 0.10 H \nATOM 672 H LEU A 273 54.376 27.877 45.534 1.00 0.27 H \nTER 673 LEU A 273 \nATOM 674 N GLU A 279 63.191 34.110 43.452 1.00 -0.82 N \nATOM 675 CA GLU A 279 63.361 33.659 42.072 1.00 0.04 C \nATOM 676 C GLU A 279 62.600 32.356 41.792 1.00 0.62 C \nATOM 677 O GLU A 279 62.848 31.315 42.415 1.00 -0.50 O \nATOM 678 CB GLU A 279 64.846 33.479 41.736 1.00 -0.18 C \nATOM 679 CG GLU A 279 65.152 33.441 40.239 1.00 -0.40 C \nATOM 680 CD GLU A 279 66.556 32.926 39.933 1.00 0.71 C \nATOM 681 OE1 GLU A 279 67.009 31.977 40.612 1.00 -0.72 O \nATOM 682 OE2 GLU A 279 67.207 33.469 39.013 1.00 -0.72 O \nATOM 683 HA GLU A 279 62.952 34.438 41.412 1.00 0.05 H \nATOM 684 HB2 GLU A 279 65.404 34.316 42.181 1.00 0.09 H \nATOM 685 HB3 GLU A 279 65.188 32.533 42.182 1.00 0.09 H \nATOM 686 HG2 GLU A 279 64.421 32.781 39.748 1.00 0.07 H \nATOM 687 HG3 GLU A 279 65.056 34.460 39.835 1.00 0.07 H \nATOM 688 H GLU A 279 62.630 33.578 44.086 1.00 0.30 H \nATOM 689 HNCA GLU A 279 63.645 34.967 43.768 1.00 0.30 H \nATOM 690 N VAL A 280 61.660 32.438 40.856 1.00 -0.42 N \nATOM 691 CA VAL A 280 60.885 31.285 40.422 1.00 -0.09 C \nATOM 692 C VAL A 280 61.586 30.558 39.281 1.00 0.60 C \nATOM 693 O VAL A 280 61.226 29.434 38.942 1.00 -0.57 O \nATOM 694 CB VAL A 280 59.490 31.717 39.937 1.00 0.30 C \nATOM 695 CG1 VAL A 280 58.700 32.321 41.090 1.00 -0.32 C \nATOM 696 CG2 VAL A 280 59.613 32.720 38.798 1.00 -0.32 C \nATOM 697 HA VAL A 280 60.773 30.596 41.273 1.00 0.10 H \nATOM 698 HB VAL A 280 58.954 30.830 39.569 1.00 -0.03 H \nATOM 699 HG11 VAL A 280 59.240 33.193 41.487 1.00 0.08 H \nATOM 700 HG12 VAL A 280 57.709 32.636 40.731 1.00 0.08 H \nATOM 701 HG13 VAL A 280 58.580 31.571 41.885 1.00 0.08 H \nATOM 702 HG21 VAL A 280 60.166 32.262 37.965 1.00 0.08 H \nATOM 703 HG22 VAL A 280 58.609 33.011 38.456 1.00 0.08 H \nATOM 704 HG23 VAL A 280 60.153 33.611 39.151 1.00 0.08 H \nATOM 705 H VAL A 280 61.478 33.326 40.434 1.00 0.27 H \nATOM 706 N GLU A 281 62.585 31.212 38.693 1.00 -0.52 N \nATOM 707 CA GLU A 281 63.300 30.665 37.539 1.00 0.04 C \nATOM 708 C GLU A 281 63.750 29.231 37.788 1.00 0.54 C \nATOM 709 O GLU A 281 63.532 28.354 36.950 1.00 -0.58 O \nATOM 710 CB GLU A 281 64.501 31.540 37.163 1.00 0.06 C \nATOM 711 CG GLU A 281 65.260 31.047 35.932 1.00 0.01 C \nATOM 712 CD GLU A 281 66.193 32.098 35.340 1.00 0.81 C \nATOM 713 OE1 GLU A 281 66.644 32.992 36.091 1.00 -0.82 O \nATOM 714 OE2 GLU A 281 66.468 32.036 34.118 1.00 -0.82 O \nATOM 715 HA GLU A 281 62.605 30.658 36.687 1.00 0.11 H \nATOM 716 HB2 GLU A 281 64.139 32.559 36.962 1.00 -0.02 H \nATOM 717 HB3 GLU A 281 65.197 31.559 38.015 1.00 -0.02 H \nATOM 718 HG2 GLU A 281 65.859 30.170 36.219 1.00 -0.04 H \nATOM 719 HG3 GLU A 281 64.529 30.756 35.164 1.00 -0.04 H \nATOM 720 H GLU A 281 62.856 32.106 39.051 1.00 0.29 H \nATOM 721 N GLU A 282 64.377 29.000 38.938 1.00 -0.52 N \nATOM 722 CA GLU A 282 64.824 27.661 39.313 1.00 0.04 C \nATOM 723 C GLU A 282 63.624 26.725 39.432 1.00 0.54 C \nATOM 724 O GLU A 282 63.627 25.613 38.903 1.00 -0.58 O \nATOM 725 CB GLU A 282 65.576 27.694 40.651 1.00 0.06 C \nATOM 726 CG GLU A 282 66.528 28.873 40.826 1.00 0.01 C \nATOM 727 CD GLU A 282 67.771 28.778 39.950 1.00 0.81 C \nATOM 728 OE1 GLU A 282 68.233 27.642 39.686 1.00 -0.82 O \nATOM 729 OE2 GLU A 282 68.285 29.842 39.529 1.00 -0.82 O \nATOM 730 HA GLU A 282 65.500 27.281 38.533 1.00 0.11 H \nATOM 731 HB2 GLU A 282 64.832 27.733 41.460 1.00 -0.02 H \nATOM 732 HB3 GLU A 282 66.162 26.767 40.736 1.00 -0.02 H \nATOM 733 HG2 GLU A 282 65.990 29.798 40.570 1.00 -0.04 H \nATOM 734 HG3 GLU A 282 66.845 28.913 41.879 1.00 -0.04 H \nATOM 735 H GLU A 282 64.547 29.763 39.562 1.00 0.29 H \nATOM 736 N PHE A 283 62.600 27.197 40.133 1.00 -0.42 N \nATOM 737 CA PHE A 283 61.406 26.404 40.398 1.00 -0.00 C \nATOM 738 C PHE A 283 60.832 25.787 39.121 1.00 0.60 C \nATOM 739 O PHE A 283 60.530 24.600 39.088 1.00 -0.57 O \nATOM 740 CB PHE A 283 60.356 27.262 41.114 1.00 -0.03 C \nATOM 741 CG PHE A 283 59.185 26.480 41.652 1.00 0.01 C \nATOM 742 CD1 PHE A 283 59.241 25.897 42.910 1.00 -0.13 C \nATOM 743 CD2 PHE A 283 58.021 26.344 40.909 1.00 -0.13 C \nATOM 744 CE1 PHE A 283 58.157 25.180 43.413 1.00 -0.17 C \nATOM 745 CE2 PHE A 283 56.940 25.628 41.404 1.00 -0.17 C \nATOM 746 CZ PHE A 283 57.009 25.047 42.657 1.00 -0.11 C \nATOM 747 HA PHE A 283 61.689 25.580 41.069 1.00 0.10 H \nATOM 748 HB2 PHE A 283 60.845 27.775 41.955 1.00 0.03 H \nATOM 749 HB3 PHE A 283 59.975 28.008 40.401 1.00 0.03 H \nATOM 750 HD2 PHE A 283 57.955 26.803 39.929 1.00 0.13 H \nATOM 751 HE2 PHE A 283 56.041 25.524 40.808 1.00 0.14 H \nATOM 752 HZ PHE A 283 56.164 24.489 43.045 1.00 0.13 H \nATOM 753 HE1 PHE A 283 58.215 24.727 44.396 1.00 0.14 H \nATOM 754 HD1 PHE A 283 60.139 26.001 43.509 1.00 0.13 H \nATOM 755 H PHE A 283 62.650 28.129 40.492 1.00 0.27 H \nATOM 756 N LEU A 284 60.719 26.584 38.064 1.00 -0.42 N \nATOM 757 CA LEU A 284 60.074 26.129 36.832 1.00 -0.05 C \nATOM 758 C LEU A 284 60.897 25.114 36.036 1.00 0.60 C \nATOM 759 O LEU A 284 60.336 24.214 35.413 1.00 -0.57 O \nATOM 760 CB LEU A 284 59.708 27.321 35.940 1.00 -0.11 C \nATOM 761 CG LEU A 284 58.767 28.356 36.561 1.00 0.35 C \nATOM 762 CD1 LEU A 284 58.416 29.458 35.560 1.00 -0.41 C \nATOM 763 CD2 LEU A 284 57.507 27.675 37.095 1.00 -0.41 C \nATOM 764 HA LEU A 284 59.139 25.629 37.125 1.00 0.09 H \nATOM 765 HB2 LEU A 284 60.641 27.835 35.665 1.00 0.05 H \nATOM 766 HB3 LEU A 284 59.225 26.928 35.033 1.00 0.05 H \nATOM 767 HG LEU A 284 59.288 28.824 37.410 1.00 -0.04 H \nATOM 768 HD21 LEU A 284 57.787 26.930 37.855 1.00 0.10 H \nATOM 769 HD22 LEU A 284 56.846 28.429 37.547 1.00 0.10 H \nATOM 770 HD23 LEU A 284 56.982 27.175 36.268 1.00 0.10 H \nATOM 771 HD11 LEU A 284 57.929 29.013 34.680 1.00 0.10 H \nATOM 772 HD12 LEU A 284 57.732 30.178 36.033 1.00 0.10 H \nATOM 773 HD13 LEU A 284 59.335 29.976 35.247 1.00 0.10 H \nATOM 774 H LEU A 284 61.082 27.514 38.111 1.00 0.27 H \nATOM 775 N LYS A 285 62.216 25.275 36.064 1.00 -0.35 N \nATOM 776 CA LYS A 285 63.121 24.362 35.378 1.00 -0.24 C \nATOM 777 C LYS A 285 63.145 23.022 36.097 1.00 0.73 C \nATOM 778 O LYS A 285 63.243 21.970 35.468 1.00 -0.59 O \nATOM 779 CB LYS A 285 64.530 24.953 35.313 1.00 -0.01 C \nATOM 780 CG LYS A 285 64.647 26.190 34.437 1.00 0.02 C \nATOM 781 CD LYS A 285 66.066 26.736 34.438 1.00 -0.05 C \nATOM 782 CE LYS A 285 66.193 27.959 33.543 1.00 -0.01 C \nATOM 783 NZ LYS A 285 67.574 28.519 33.553 1.00 -0.39 N \nATOM 784 HA LYS A 285 62.756 24.207 34.352 1.00 0.14 H \nATOM 785 HB2 LYS A 285 64.838 25.223 36.334 1.00 0.04 H \nATOM 786 HB3 LYS A 285 65.209 24.184 34.916 1.00 0.04 H \nATOM 787 HG2 LYS A 285 64.365 25.927 33.407 1.00 0.01 H \nATOM 788 HG3 LYS A 285 63.965 26.964 34.818 1.00 0.01 H \nATOM 789 HD2 LYS A 285 66.341 27.015 35.466 1.00 0.06 H \nATOM 790 HD3 LYS A 285 66.750 25.955 34.075 1.00 0.06 H \nATOM 791 HE2 LYS A 285 65.933 27.673 32.513 1.00 0.11 H \nATOM 792 HE3 LYS A 285 65.494 28.732 33.897 1.00 0.11 H \nATOM 793 HZ1 LYS A 285 68.223 27.817 33.233 1.00 0.34 H \nATOM 794 HZ2 LYS A 285 67.616 29.319 32.942 1.00 0.34 H \nATOM 795 HZ3 LYS A 285 67.816 28.799 34.491 1.00 0.34 H \nATOM 796 H LYS A 285 62.599 26.047 36.572 1.00 0.27 H \nATOM 797 N GLU A 286 63.049 23.070 37.420 1.00 -0.52 N \nATOM 798 CA GLU A 286 62.963 21.860 38.221 1.00 0.04 C \nATOM 799 C GLU A 286 61.800 21.014 37.725 1.00 0.54 C \nATOM 800 O GLU A 286 61.848 19.786 37.766 1.00 -0.58 O \nATOM 801 CB GLU A 286 62.765 22.209 39.696 1.00 0.06 C \nATOM 802 CG GLU A 286 62.614 21.002 40.606 1.00 0.01 C \nATOM 803 CD GLU A 286 62.646 21.372 42.073 1.00 0.81 C \nATOM 804 OE1 GLU A 286 62.762 22.575 42.381 1.00 -0.82 O \nATOM 805 OE2 GLU A 286 62.555 20.461 42.919 1.00 -0.82 O \nATOM 806 HA GLU A 286 63.897 21.289 38.112 1.00 0.11 H \nATOM 807 HB2 GLU A 286 63.637 22.789 40.034 1.00 -0.02 H \nATOM 808 HB3 GLU A 286 61.858 22.825 39.786 1.00 -0.02 H \nATOM 809 HG2 GLU A 286 61.653 20.513 40.387 1.00 -0.04 H \nATOM 810 HG3 GLU A 286 63.437 20.301 40.401 1.00 -0.04 H \nATOM 811 H GLU A 286 63.036 23.960 37.877 1.00 0.29 H \nATOM 812 N ALA A 287 60.757 21.685 37.250 1.00 -0.42 N \nATOM 813 CA ALA A 287 59.578 21.008 36.729 1.00 0.03 C \nATOM 814 C ALA A 287 59.838 20.430 35.343 1.00 0.60 C \nATOM 815 O ALA A 287 59.464 19.296 35.057 1.00 -0.57 O \nATOM 816 CB ALA A 287 58.391 21.957 36.698 1.00 -0.18 C \nATOM 817 HA ALA A 287 59.335 20.175 37.406 1.00 0.08 H \nATOM 818 HB1 ALA A 287 57.510 21.430 36.302 1.00 0.06 H \nATOM 819 HB2 ALA A 287 58.179 22.312 37.717 1.00 0.06 H \nATOM 820 HB3 ALA A 287 58.625 22.816 36.052 1.00 0.06 H \nATOM 821 H ALA A 287 60.782 22.685 37.250 1.00 0.27 H \nATOM 822 N ALA A 288 60.482 21.213 34.484 1.00 -0.42 N \nATOM 823 CA ALA A 288 60.800 20.744 33.138 1.00 0.03 C \nATOM 824 C ALA A 288 61.715 19.520 33.198 1.00 0.60 C \nATOM 825 O ALA A 288 61.543 18.568 32.425 1.00 -0.57 O \nATOM 826 CB ALA A 288 61.441 21.865 32.306 1.00 -0.18 C \nATOM 827 HA ALA A 288 59.861 20.447 32.647 1.00 0.08 H \nATOM 828 HB1 ALA A 288 61.671 21.488 31.298 1.00 0.06 H \nATOM 829 HB2 ALA A 288 60.742 22.711 32.230 1.00 0.06 H \nATOM 830 HB3 ALA A 288 62.369 22.199 32.793 1.00 0.06 H \nATOM 831 H ALA A 288 60.752 22.135 34.763 1.00 0.27 H \nATOM 832 N VAL A 289 62.678 19.543 34.120 1.00 -0.42 N \nATOM 833 CA VAL A 289 63.534 18.380 34.346 1.00 -0.09 C \nATOM 834 C VAL A 289 62.727 17.147 34.752 1.00 0.60 C \nATOM 835 O VAL A 289 62.893 16.069 34.177 1.00 -0.57 O \nATOM 836 CB VAL A 289 64.634 18.665 35.393 1.00 0.30 C \nATOM 837 CG1 VAL A 289 65.206 17.370 35.939 1.00 -0.32 C \nATOM 838 CG2 VAL A 289 65.735 19.519 34.776 1.00 -0.32 C \nATOM 839 HA VAL A 289 64.033 18.152 33.393 1.00 0.10 H \nATOM 840 HB VAL A 289 64.185 19.224 36.227 1.00 -0.03 H \nATOM 841 HG11 VAL A 289 65.634 16.781 35.114 1.00 0.08 H \nATOM 842 HG12 VAL A 289 65.993 17.597 36.673 1.00 0.08 H \nATOM 843 HG13 VAL A 289 64.406 16.792 36.425 1.00 0.08 H \nATOM 844 HG21 VAL A 289 65.307 20.468 34.421 1.00 0.08 H \nATOM 845 HG22 VAL A 289 66.507 19.724 35.532 1.00 0.08 H \nATOM 846 HG23 VAL A 289 66.185 18.981 33.929 1.00 0.08 H \nATOM 847 H VAL A 289 62.817 20.369 34.666 1.00 0.27 H \nATOM 848 N MET A 290 61.847 17.294 35.732 1.00 -0.42 N \nATOM 849 CA MET A 290 61.070 16.143 36.186 1.00 -0.02 C \nATOM 850 C MET A 290 60.180 15.555 35.074 1.00 0.60 C \nATOM 851 O MET A 290 59.772 14.396 35.145 1.00 -0.57 O \nATOM 852 CB MET A 290 60.255 16.495 37.433 1.00 0.03 C \nATOM 853 CG MET A 290 61.115 16.907 38.625 1.00 0.00 C \nATOM 854 SD MET A 290 60.183 17.040 40.170 1.00 -0.27 S \nATOM 855 CE MET A 290 59.863 15.296 40.515 1.00 -0.05 C \nATOM 856 HA MET A 290 61.787 15.360 36.473 1.00 0.09 H \nATOM 857 HB2 MET A 290 59.581 17.328 37.185 1.00 0.02 H \nATOM 858 HB3 MET A 290 59.660 15.615 37.720 1.00 0.02 H \nATOM 859 HG2 MET A 290 61.908 16.156 38.759 1.00 0.04 H \nATOM 860 HG3 MET A 290 61.569 17.885 38.406 1.00 0.04 H \nATOM 861 HE1 MET A 290 60.819 14.759 40.609 1.00 0.07 H \nATOM 862 HE2 MET A 290 59.298 15.206 41.454 1.00 0.07 H \nATOM 863 HE3 MET A 290 59.278 14.861 39.692 1.00 0.07 H \nATOM 864 H MET A 290 61.715 18.189 36.159 1.00 0.27 H \nATOM 865 N LYS A 291 59.899 16.351 34.043 1.00 -0.35 N \nATOM 866 CA LYS A 291 59.110 15.887 32.897 1.00 -0.24 C \nATOM 867 C LYS A 291 59.952 15.039 31.935 1.00 0.73 C \nATOM 868 O LYS A 291 59.410 14.225 31.179 1.00 -0.59 O \nATOM 869 CB LYS A 291 58.497 17.082 32.151 1.00 -0.01 C \nATOM 870 CG LYS A 291 57.397 17.817 32.909 1.00 0.02 C \nATOM 871 CD LYS A 291 57.396 19.322 32.612 1.00 -0.05 C \nATOM 872 CE LYS A 291 56.008 19.812 32.207 1.00 -0.01 C \nATOM 873 NZ LYS A 291 55.804 21.279 32.449 1.00 -0.39 N \nATOM 874 HA LYS A 291 58.291 15.259 33.278 1.00 0.14 H \nATOM 875 HB2 LYS A 291 59.302 17.800 31.936 1.00 0.04 H \nATOM 876 HB3 LYS A 291 58.073 16.713 31.206 1.00 0.04 H \nATOM 877 HG2 LYS A 291 56.423 17.397 32.616 1.00 0.01 H \nATOM 878 HG3 LYS A 291 57.550 17.669 33.988 1.00 0.01 H \nATOM 879 HD2 LYS A 291 57.718 19.864 33.513 1.00 0.06 H \nATOM 880 HD3 LYS A 291 58.100 19.525 31.791 1.00 0.06 H \nATOM 881 HE2 LYS A 291 55.866 19.612 31.135 1.00 0.11 H \nATOM 882 HE3 LYS A 291 55.258 19.255 32.787 1.00 0.11 H \nATOM 883 HZ1 LYS A 291 56.485 21.804 31.924 1.00 0.34 H \nATOM 884 HZ2 LYS A 291 54.877 21.542 32.154 1.00 0.34 H \nATOM 885 HZ3 LYS A 291 55.913 21.476 33.432 1.00 0.34 H \nATOM 886 H LYS A 291 60.236 17.292 34.051 1.00 0.27 H \nATOM 887 N GLU A 292 61.268 15.253 31.960 1.00 -0.52 N \nATOM 888 CA GLU A 292 62.224 14.515 31.128 1.00 0.04 C \nATOM 889 C GLU A 292 62.664 13.143 31.672 1.00 0.54 C \nATOM 890 O GLU A 292 63.004 12.250 30.894 1.00 -0.58 O \nATOM 891 CB GLU A 292 63.472 15.373 30.867 1.00 0.06 C \nATOM 892 CG GLU A 292 63.358 16.321 29.697 1.00 0.01 C \nATOM 893 CD GLU A 292 64.084 15.806 28.458 1.00 0.81 C \nATOM 894 OE1 GLU A 292 65.346 15.781 28.458 1.00 -0.82 O \nATOM 895 OE2 GLU A 292 63.391 15.430 27.480 1.00 -0.82 O \nATOM 896 HA GLU A 292 61.728 14.333 30.163 1.00 0.11 H \nATOM 897 HB2 GLU A 292 63.673 15.968 31.770 1.00 -0.02 H \nATOM 898 HB3 GLU A 292 64.318 14.696 30.677 1.00 -0.02 H \nATOM 899 HG2 GLU A 292 62.294 16.454 29.453 1.00 -0.04 H \nATOM 900 HG3 GLU A 292 63.793 17.290 29.984 1.00 -0.04 H \nATOM 901 H GLU A 292 61.622 15.954 32.579 1.00 0.29 H \nATOM 902 N ILE A 293 62.707 12.988 32.996 1.00 -0.42 N \nATOM 903 CA ILE A 293 63.235 11.760 33.589 1.00 -0.06 C \nATOM 904 C ILE A 293 62.140 10.854 34.130 1.00 0.60 C \nATOM 905 O ILE A 293 61.168 11.327 34.723 1.00 -0.57 O \nATOM 906 CB ILE A 293 64.239 12.048 34.727 1.00 0.13 C \nATOM 907 CG1 ILE A 293 63.552 12.829 35.859 1.00 -0.04 C \nATOM 908 CG2 ILE A 293 65.479 12.763 34.174 1.00 -0.32 C \nATOM 909 CD1 ILE A 293 64.476 13.169 37.011 1.00 -0.07 C \nATOM 910 HA ILE A 293 63.766 11.215 32.795 1.00 0.09 H \nATOM 911 HB ILE A 293 64.570 11.085 35.142 1.00 0.02 H \nATOM 912 HG12 ILE A 293 63.155 13.767 35.443 1.00 0.02 H \nATOM 913 HG13 ILE A 293 62.722 12.220 36.247 1.00 0.02 H \nATOM 914 HD11 ILE A 293 65.313 13.779 36.642 1.00 0.02 H \nATOM 915 HD12 ILE A 293 63.919 13.733 37.773 1.00 0.02 H \nATOM 916 HD13 ILE A 293 64.866 12.241 37.454 1.00 0.02 H \nATOM 917 HG21 ILE A 293 65.177 13.710 33.702 1.00 0.09 H \nATOM 918 HG22 ILE A 293 66.180 12.971 34.996 1.00 0.09 H \nATOM 919 HG23 ILE A 293 65.970 12.121 33.427 1.00 0.09 H \nATOM 920 H ILE A 293 62.374 13.720 33.590 1.00 0.27 H \nATOM 921 N LYS A 294 62.278 9.553 33.881 1.00 -0.35 N \nATOM 922 CA LYS A 294 61.314 8.566 34.375 1.00 -0.24 C \nATOM 923 C LYS A 294 62.018 7.260 34.758 1.00 0.73 C \nATOM 924 O LYS A 294 62.728 6.662 33.939 1.00 -0.59 O \nATOM 925 CB LYS A 294 60.217 8.328 33.326 1.00 -0.01 C \nATOM 926 CG LYS A 294 59.037 7.480 33.796 1.00 0.02 C \nATOM 927 CD LYS A 294 57.939 7.502 32.727 1.00 -0.05 C \nATOM 928 CE LYS A 294 56.816 6.504 33.010 1.00 -0.01 C \nATOM 929 NZ LYS A 294 55.868 6.945 34.081 1.00 -0.39 N \nATOM 930 HA LYS A 294 60.839 8.973 35.280 1.00 0.14 H \nATOM 931 HB2 LYS A 294 59.828 9.308 33.013 1.00 0.04 H \nATOM 932 HB3 LYS A 294 60.676 7.823 32.463 1.00 0.04 H \nATOM 933 HG2 LYS A 294 59.371 6.445 33.959 1.00 0.01 H \nATOM 934 HG3 LYS A 294 58.642 7.890 34.737 1.00 0.01 H \nATOM 935 HD2 LYS A 294 57.508 8.513 32.686 1.00 0.06 H \nATOM 936 HD3 LYS A 294 58.390 7.256 31.754 1.00 0.06 H \nATOM 937 HE2 LYS A 294 56.245 6.353 32.082 1.00 0.11 H \nATOM 938 HE3 LYS A 294 57.270 5.551 33.320 1.00 0.11 H \nATOM 939 HZ1 LYS A 294 55.441 7.818 33.813 1.00 0.34 H \nATOM 940 HZ2 LYS A 294 55.153 6.246 34.206 1.00 0.34 H \nATOM 941 HZ3 LYS A 294 56.372 7.069 34.945 1.00 0.34 H \nATOM 942 H LYS A 294 63.061 9.241 33.342 1.00 0.27 H \nATOM 943 N HIS A 295 61.781 6.787 35.976 1.00 -0.42 N \nATOM 944 CA HIS A 295 62.489 5.614 36.482 1.00 0.02 C \nATOM 945 C HIS A 295 61.890 5.216 37.818 1.00 0.60 C \nATOM 946 O HIS A 295 61.486 6.071 38.610 1.00 -0.57 O \nATOM 947 CB HIS A 295 63.986 5.925 36.642 1.00 -0.05 C \nATOM 948 CG HIS A 295 64.825 4.738 37.016 1.00 -0.03 C \nATOM 949 ND1 HIS A 295 64.881 4.230 38.298 1.00 -0.38 N \nATOM 950 CD2 HIS A 295 65.643 3.956 36.265 1.00 0.13 C \nATOM 951 CE1 HIS A 295 65.717 3.204 38.326 1.00 0.21 C \nATOM 952 NE2 HIS A 295 66.181 3.011 37.110 1.00 -0.57 N \nATOM 953 HA HIS A 295 62.370 4.784 35.770 1.00 0.09 H \nATOM 954 HB2 HIS A 295 64.359 6.324 35.687 1.00 0.04 H \nATOM 955 HB3 HIS A 295 64.098 6.687 37.427 1.00 0.04 H \nATOM 956 HD2 HIS A 295 65.837 4.057 35.198 1.00 0.11 H \nATOM 957 HE1 HIS A 295 65.977 2.619 39.207 1.00 0.14 H \nATOM 958 HD1 HIS A 295 64.355 4.592 39.106 1.00 0.36 H \nATOM 959 H HIS A 295 61.106 7.242 36.557 1.00 0.27 H \nATOM 960 N PRO A 296 61.788 3.902 38.060 1.00 -0.25 N \nATOM 961 CA PRO A 296 61.078 3.433 39.264 1.00 -0.03 C \nATOM 962 C PRO A 296 61.722 3.901 40.567 1.00 0.59 C \nATOM 963 O PRO A 296 61.028 3.979 41.580 1.00 -0.57 O \nATOM 964 CB PRO A 296 61.115 1.900 39.140 1.00 -0.01 C \nATOM 965 CG PRO A 296 62.118 1.598 38.044 1.00 0.02 C \nATOM 966 CD PRO A 296 62.178 2.802 37.155 1.00 0.02 C \nATOM 967 HA PRO A 296 60.038 3.790 39.245 1.00 0.06 H \nATOM 968 HD3 PRO A 296 61.472 2.710 36.317 1.00 0.04 H \nATOM 969 HD2 PRO A 296 63.195 2.954 36.763 1.00 0.04 H \nATOM 970 HG3 PRO A 296 61.793 0.719 37.467 1.00 0.02 H \nATOM 971 HG2 PRO A 296 63.108 1.403 38.482 1.00 0.02 H \nATOM 972 HB2 PRO A 296 61.437 1.447 40.089 1.00 0.03 H \nATOM 973 HB3 PRO A 296 60.122 1.514 38.867 1.00 0.03 H \nATOM 974 N ASN A 297 63.023 4.172 40.540 1.00 -0.42 N \nATOM 975 CA ASN A 297 63.735 4.726 41.696 1.00 0.01 C \nATOM 976 C ASN A 297 64.013 6.257 41.726 1.00 0.60 C \nATOM 977 O ASN A 297 64.889 6.738 42.491 1.00 -0.57 O \nATOM 978 CB ASN A 297 64.946 3.867 42.066 1.00 -0.20 C \nATOM 979 CG ASN A 297 64.587 2.399 42.141 1.00 0.71 C \nATOM 980 OD1 ASN A 297 64.749 1.655 41.162 1.00 -0.59 O \nATOM 981 ND2 ASN A 297 64.028 1.984 43.281 1.00 -0.92 N \nATOM 982 HA ASN A 297 63.030 4.583 42.529 1.00 0.10 H \nATOM 983 HB2 ASN A 297 65.727 4.005 41.304 1.00 0.08 H \nATOM 984 HB3 ASN A 297 65.328 4.191 43.045 1.00 0.08 H \nATOM 985 HD22 ASN A 297 63.769 1.024 43.390 1.00 0.42 H \nATOM 986 HD21 ASN A 297 63.869 2.633 44.025 1.00 0.42 H \nATOM 987 H ASN A 297 63.535 3.991 39.700 1.00 0.27 H \nATOM 988 N LEU A 298 63.367 6.983 40.807 1.00 -0.42 N \nATOM 989 CA LEU A 298 63.320 8.444 40.837 1.00 -0.05 C \nATOM 990 C LEU A 298 61.915 8.883 41.228 1.00 0.60 C \nATOM 991 O LEU A 298 60.936 8.377 40.675 1.00 -0.57 O \nATOM 992 CB LEU A 298 63.665 9.008 39.460 1.00 -0.11 C \nATOM 993 CG LEU A 298 65.094 8.718 38.986 1.00 0.35 C \nATOM 994 CD1 LEU A 298 65.358 9.377 37.624 1.00 -0.41 C \nATOM 995 CD2 LEU A 298 66.093 9.201 40.028 1.00 -0.41 C \nATOM 996 HA LEU A 298 64.043 8.819 41.576 1.00 0.09 H \nATOM 997 HB2 LEU A 298 62.967 8.575 38.728 1.00 0.05 H \nATOM 998 HB3 LEU A 298 63.531 10.099 39.494 1.00 0.05 H \nATOM 999 HG LEU A 298 65.210 7.630 38.871 1.00 -0.04 H \nATOM 1000 HD21 LEU A 298 65.906 8.686 40.982 1.00 0.10 H \nATOM 1001 HD22 LEU A 298 67.115 8.981 39.686 1.00 0.10 H \nATOM 1002 HD23 LEU A 298 65.980 10.286 40.169 1.00 0.10 H \nATOM 1003 HD11 LEU A 298 65.216 10.465 37.709 1.00 0.10 H \nATOM 1004 HD12 LEU A 298 66.390 9.165 37.308 1.00 0.10 H \nATOM 1005 HD13 LEU A 298 64.656 8.973 36.879 1.00 0.10 H \nATOM 1006 H LEU A 298 62.895 6.505 40.066 1.00 0.27 H \nATOM 1007 N VAL A 299 61.799 9.808 42.183 1.00 -0.42 N \nATOM 1008 CA VAL A 299 60.475 10.272 42.600 1.00 -0.09 C \nATOM 1009 C VAL A 299 59.719 10.864 41.411 1.00 0.60 C \nATOM 1010 O VAL A 299 60.208 11.779 40.742 1.00 -0.57 O \nATOM 1011 CB VAL A 299 60.515 11.306 43.745 1.00 0.30 C \nATOM 1012 CG1 VAL A 299 61.247 12.569 43.269 1.00 -0.32 C \nATOM 1013 CG2 VAL A 299 59.116 11.706 44.132 1.00 -0.32 C \nATOM 1014 HA VAL A 299 59.917 9.395 42.962 1.00 0.10 H \nATOM 1015 HB VAL A 299 61.035 10.874 44.613 1.00 -0.03 H \nATOM 1016 HG11 VAL A 299 60.722 12.992 42.400 1.00 0.08 H \nATOM 1017 HG12 VAL A 299 61.266 13.310 44.082 1.00 0.08 H \nATOM 1018 HG13 VAL A 299 62.277 12.310 42.984 1.00 0.08 H \nATOM 1019 HG21 VAL A 299 58.557 10.816 44.458 1.00 0.08 H \nATOM 1020 HG22 VAL A 299 59.157 12.435 44.955 1.00 0.08 H \nATOM 1021 HG23 VAL A 299 58.611 12.159 43.266 1.00 0.08 H \nATOM 1022 H VAL A 299 62.619 10.185 42.615 1.00 0.27 H \nATOM 1023 N GLN A 300 58.514 10.350 41.178 1.00 -0.42 N \nATOM 1024 CA GLN A 300 57.751 10.660 39.964 1.00 -0.00 C \nATOM 1025 C GLN A 300 56.886 11.919 40.036 1.00 0.60 C \nATOM 1026 O GLN A 300 56.104 12.106 40.973 1.00 -0.57 O \nATOM 1027 CB GLN A 300 56.851 9.472 39.584 1.00 -0.00 C \nATOM 1028 CG GLN A 300 56.060 9.664 38.276 1.00 -0.06 C \nATOM 1029 CD GLN A 300 56.972 9.977 37.097 1.00 0.70 C \nATOM 1030 OE1 GLN A 300 58.036 9.339 36.922 1.00 -0.61 O \nATOM 1031 NE2 GLN A 300 56.569 10.971 36.282 1.00 -0.94 N \nATOM 1032 HA GLN A 300 58.482 10.812 39.156 1.00 0.09 H \nATOM 1033 HB2 GLN A 300 57.486 8.581 39.474 1.00 0.02 H \nATOM 1034 HB3 GLN A 300 56.132 9.311 40.400 1.00 0.02 H \nATOM 1035 HG2 GLN A 300 55.504 8.740 38.059 1.00 0.04 H \nATOM 1036 HG3 GLN A 300 55.352 10.496 38.408 1.00 0.04 H \nATOM 1037 HE22 GLN A 300 57.124 11.224 35.490 1.00 0.43 H \nATOM 1038 HE21 GLN A 300 55.714 11.456 36.469 1.00 0.43 H \nATOM 1039 H GLN A 300 58.115 9.731 41.854 1.00 0.27 H \nATOM 1040 N LEU A 301 57.010 12.761 39.017 1.00 -0.42 N \nATOM 1041 CA LEU A 301 56.133 13.913 38.833 1.00 -0.05 C \nATOM 1042 C LEU A 301 54.706 13.484 38.438 1.00 0.60 C \nATOM 1043 O LEU A 301 54.523 12.712 37.498 1.00 -0.57 O \nATOM 1044 CB LEU A 301 56.713 14.803 37.736 1.00 -0.11 C \nATOM 1045 CG LEU A 301 55.953 16.082 37.385 1.00 0.35 C \nATOM 1046 CD1 LEU A 301 56.155 17.158 38.466 1.00 -0.41 C \nATOM 1047 CD2 LEU A 301 56.446 16.571 36.034 1.00 -0.41 C \nATOM 1048 HA LEU A 301 56.085 14.479 39.775 1.00 0.09 H \nATOM 1049 HB2 LEU A 301 57.725 15.098 38.052 1.00 0.05 H \nATOM 1050 HB3 LEU A 301 56.777 14.197 36.820 1.00 0.05 H \nATOM 1051 HG LEU A 301 54.879 15.854 37.315 1.00 -0.04 H \nATOM 1052 HD21 LEU A 301 56.267 15.795 35.276 1.00 0.10 H \nATOM 1053 HD22 LEU A 301 55.904 17.487 35.756 1.00 0.10 H \nATOM 1054 HD23 LEU A 301 57.523 16.786 36.093 1.00 0.10 H \nATOM 1055 HD11 LEU A 301 57.227 17.389 38.558 1.00 0.10 H \nATOM 1056 HD12 LEU A 301 55.607 18.069 38.184 1.00 0.10 H \nATOM 1057 HD13 LEU A 301 55.776 16.786 39.429 1.00 0.10 H \nATOM 1058 H LEU A 301 57.735 12.599 38.347 1.00 0.27 H \nATOM 1059 N LEU A 302 53.713 13.917 39.212 1.00 -0.42 N \nATOM 1060 CA LEU A 302 52.299 13.722 38.874 1.00 -0.05 C \nATOM 1061 C LEU A 302 51.658 14.814 38.001 1.00 0.60 C \nATOM 1062 O LEU A 302 50.737 14.553 37.205 1.00 -0.57 O \nATOM 1063 CB LEU A 302 51.486 13.482 40.142 1.00 -0.11 C \nATOM 1064 CG LEU A 302 52.070 12.320 40.965 1.00 0.35 C \nATOM 1065 CD1 LEU A 302 51.251 12.106 42.237 1.00 -0.41 C \nATOM 1066 CD2 LEU A 302 52.101 11.051 40.124 1.00 -0.41 C \nATOM 1067 HA LEU A 302 52.252 12.797 38.281 1.00 0.09 H \nATOM 1068 HB2 LEU A 302 51.497 14.396 40.754 1.00 0.05 H \nATOM 1069 HB3 LEU A 302 50.450 13.239 39.864 1.00 0.05 H \nATOM 1070 HG LEU A 302 53.101 12.575 41.252 1.00 -0.04 H \nATOM 1071 HD21 LEU A 302 52.719 11.219 39.230 1.00 0.10 H \nATOM 1072 HD22 LEU A 302 52.529 10.229 40.716 1.00 0.10 H \nATOM 1073 HD23 LEU A 302 51.077 10.789 39.819 1.00 0.10 H \nATOM 1074 HD11 LEU A 302 50.209 11.878 41.968 1.00 0.10 H \nATOM 1075 HD12 LEU A 302 51.674 11.267 42.809 1.00 0.10 H \nATOM 1076 HD13 LEU A 302 51.280 13.019 42.850 1.00 0.10 H \nATOM 1077 H LEU A 302 53.941 14.396 40.060 1.00 0.27 H \nATOM 1078 N GLY A 303 52.112 16.049 38.192 1.00 -0.42 N \nATOM 1079 CA GLY A 303 51.541 17.196 37.502 1.00 -0.03 C \nATOM 1080 C GLY A 303 52.110 18.517 38.000 1.00 0.60 C \nATOM 1081 O GLY A 303 52.925 18.541 38.930 1.00 -0.57 O \nATOM 1082 HA3 GLY A 303 51.754 17.103 36.427 1.00 0.07 H \nATOM 1083 HA2 GLY A 303 50.453 17.198 37.662 1.00 0.07 H \nATOM 1084 H GLY A 303 52.869 16.194 38.829 1.00 0.27 H \nATOM 1085 N VAL A 304 51.683 19.613 37.374 1.00 -0.42 N \nATOM 1086 CA VAL A 304 52.101 20.954 37.776 1.00 -0.09 C \nATOM 1087 C VAL A 304 51.001 21.964 37.485 1.00 0.60 C \nATOM 1088 O VAL A 304 50.159 21.750 36.607 1.00 -0.57 O \nATOM 1089 CB VAL A 304 53.359 21.432 37.014 1.00 0.30 C \nATOM 1090 CG1 VAL A 304 54.505 20.452 37.185 1.00 -0.32 C \nATOM 1091 CG2 VAL A 304 53.041 21.632 35.530 1.00 -0.32 C \nATOM 1092 HA VAL A 304 52.315 20.943 38.855 1.00 0.10 H \nATOM 1093 HB VAL A 304 53.669 22.400 37.435 1.00 -0.03 H \nATOM 1094 HG11 VAL A 304 54.204 19.466 36.802 1.00 0.08 H \nATOM 1095 HG12 VAL A 304 55.381 20.811 36.625 1.00 0.08 H \nATOM 1096 HG13 VAL A 304 54.760 20.369 38.252 1.00 0.08 H \nATOM 1097 HG21 VAL A 304 52.242 22.381 35.424 1.00 0.08 H \nATOM 1098 HG22 VAL A 304 53.943 21.981 35.006 1.00 0.08 H \nATOM 1099 HG23 VAL A 304 52.710 20.678 35.094 1.00 0.08 H \nATOM 1100 H VAL A 304 51.055 19.514 36.602 1.00 0.27 H \nATOM 1101 N CYS A 305 50.981 23.046 38.263 1.00 -0.42 N \nATOM 1102 CA CYS A 305 50.293 24.254 37.835 1.00 0.02 C \nATOM 1103 C CYS A 305 51.361 25.323 37.697 1.00 0.60 C \nATOM 1104 O CYS A 305 51.813 25.902 38.688 1.00 -0.57 O \nATOM 1105 CB CYS A 305 49.270 24.669 38.887 1.00 -0.12 C \nATOM 1106 SG CYS A 305 48.495 23.263 39.741 1.00 -0.31 S \nATOM 1107 HA CYS A 305 49.788 24.089 36.872 1.00 0.11 H \nATOM 1108 HB2 CYS A 305 49.776 25.295 39.636 1.00 0.11 H \nATOM 1109 HB3 CYS A 305 48.480 25.254 38.393 1.00 0.11 H \nATOM 1110 HG CYS A 305 47.833 23.605 40.419 1.00 0.19 H \nATOM 1111 H CYS A 305 51.443 23.027 39.149 1.00 0.27 H \nATOM 1112 N THR A 306 51.765 25.580 36.453 1.00 -0.42 N \nATOM 1113 CA THR A 306 52.782 26.583 36.168 1.00 -0.04 C \nATOM 1114 C THR A 306 52.218 27.890 35.614 1.00 0.60 C \nATOM 1115 O THR A 306 52.961 28.859 35.434 1.00 -0.57 O \nATOM 1116 CB THR A 306 53.851 26.020 35.202 1.00 0.37 C \nATOM 1117 OG1 THR A 306 53.219 25.185 34.220 1.00 -0.68 O \nATOM 1118 CG2 THR A 306 54.864 25.197 35.964 1.00 -0.24 C \nATOM 1119 HA THR A 306 53.279 26.820 37.120 1.00 0.10 H \nATOM 1120 HB THR A 306 54.362 26.855 34.700 1.00 0.00 H \nATOM 1121 HG1 THR A 306 53.876 24.840 33.627 1.00 0.41 H \nATOM 1122 HG23 THR A 306 55.758 25.807 36.162 1.00 0.06 H \nATOM 1123 HG21 THR A 306 54.426 24.867 36.918 1.00 0.06 H \nATOM 1124 HG22 THR A 306 55.146 24.317 35.367 1.00 0.06 H \nATOM 1125 H THR A 306 51.359 25.070 35.695 1.00 0.27 H \nATOM 1126 N ARG A 307 50.909 27.922 35.366 1.00 -0.35 N \nATOM 1127 CA ARG A 307 50.300 29.024 34.612 1.00 -0.26 C \nATOM 1128 C ARG A 307 50.188 30.311 35.425 1.00 0.73 C \nATOM 1129 O ARG A 307 50.419 31.399 34.907 1.00 -0.59 O \nATOM 1130 CB ARG A 307 48.925 28.628 34.048 1.00 -0.00 C \nATOM 1131 CG ARG A 307 48.923 27.423 33.082 1.00 0.04 C \nATOM 1132 CD ARG A 307 49.821 27.623 31.857 1.00 0.05 C \nATOM 1133 NE ARG A 307 49.673 26.551 30.864 1.00 -0.53 N \nATOM 1134 CZ ARG A 307 50.512 26.339 29.849 1.00 0.81 C \nATOM 1135 NH1 ARG A 307 50.296 25.340 28.999 1.00 -0.86 N \nATOM 1136 NH2 ARG A 307 51.574 27.120 29.688 1.00 -0.86 N \nATOM 1137 HA ARG A 307 50.961 29.234 33.758 1.00 0.16 H \nATOM 1138 HB2 ARG A 307 48.269 28.383 34.896 1.00 0.03 H \nATOM 1139 HB3 ARG A 307 48.518 29.496 33.508 1.00 0.03 H \nATOM 1140 HG2 ARG A 307 49.274 26.536 33.630 1.00 0.03 H \nATOM 1141 HG3 ARG A 307 47.893 27.256 32.735 1.00 0.03 H \nATOM 1142 HD2 ARG A 307 49.561 28.581 31.382 1.00 0.07 H \nATOM 1143 HD3 ARG A 307 50.869 27.652 32.190 1.00 0.07 H \nATOM 1144 HE ARG A 307 48.865 25.919 30.958 1.00 0.35 H \nATOM 1145 HH12 ARG A 307 50.946 25.180 28.217 1.00 0.45 H \nATOM 1146 HH11 ARG A 307 49.478 24.726 29.123 1.00 0.45 H \nATOM 1147 HH22 ARG A 307 52.221 26.955 28.904 1.00 0.45 H \nATOM 1148 HH21 ARG A 307 51.751 27.891 30.348 1.00 0.45 H \nATOM 1149 H ARG A 307 50.329 27.179 35.701 1.00 0.27 H \nATOM 1150 N GLU A 308 49.833 30.187 36.697 1.00 -0.52 N \nATOM 1151 CA GLU A 308 49.777 31.345 37.586 1.00 0.04 C \nATOM 1152 C GLU A 308 50.212 30.964 38.997 1.00 0.54 C \nATOM 1153 O GLU A 308 50.126 29.795 39.383 1.00 -0.58 O \nATOM 1154 CB GLU A 308 48.365 31.937 37.618 1.00 0.06 C \nATOM 1155 CG GLU A 308 47.262 30.901 37.773 1.00 0.01 C \nATOM 1156 CD GLU A 308 46.749 30.401 36.434 1.00 0.81 C \nATOM 1157 OE1 GLU A 308 45.892 29.488 36.423 1.00 -0.82 O \nATOM 1158 OE2 GLU A 308 47.198 30.928 35.391 1.00 -0.82 O \nATOM 1159 HA GLU A 308 50.468 32.110 37.202 1.00 0.11 H \nATOM 1160 HB2 GLU A 308 48.303 32.637 38.464 1.00 -0.02 H \nATOM 1161 HB3 GLU A 308 48.197 32.482 36.678 1.00 -0.02 H \nATOM 1162 HG2 GLU A 308 47.657 30.046 38.342 1.00 -0.04 H \nATOM 1163 HG3 GLU A 308 46.426 31.354 38.325 1.00 -0.04 H \nATOM 1164 H GLU A 308 49.599 29.283 37.055 1.00 0.29 H \nATOM 1165 N PRO A 309 50.691 31.951 39.769 1.00 -0.25 N \nATOM 1166 CA PRO A 309 51.061 31.739 41.173 1.00 -0.03 C \nATOM 1167 C PRO A 309 49.833 31.575 42.063 1.00 0.59 C \nATOM 1168 O PRO A 309 48.760 32.070 41.715 1.00 -0.57 O \nATOM 1169 CB PRO A 309 51.793 33.032 41.539 1.00 -0.01 C \nATOM 1170 CG PRO A 309 51.211 34.053 40.621 1.00 0.02 C \nATOM 1171 CD PRO A 309 50.953 33.333 39.331 1.00 0.02 C \nATOM 1172 HA PRO A 309 51.716 30.862 41.280 1.00 0.06 H \nATOM 1173 HD3 PRO A 309 51.831 33.379 38.670 1.00 0.04 H \nATOM 1174 HD2 PRO A 309 50.081 33.755 38.811 1.00 0.04 H \nATOM 1175 HG3 PRO A 309 51.921 34.879 40.465 1.00 0.02 H \nATOM 1176 HG2 PRO A 309 50.272 34.450 41.034 1.00 0.02 H \nATOM 1177 HB2 PRO A 309 51.608 33.301 42.589 1.00 0.03 H \nATOM 1178 HB3 PRO A 309 52.875 32.929 41.372 1.00 0.03 H \nATOM 1179 N PRO A 310 49.979 30.860 43.188 1.00 -0.25 N \nATOM 1180 CA PRO A 310 51.168 30.071 43.552 1.00 -0.03 C \nATOM 1181 C PRO A 310 51.407 28.892 42.593 1.00 0.59 C \nATOM 1182 O PRO A 310 50.457 28.272 42.097 1.00 -0.57 O \nATOM 1183 CB PRO A 310 50.821 29.536 44.943 1.00 -0.01 C \nATOM 1184 CG PRO A 310 49.818 30.505 45.485 1.00 0.02 C \nATOM 1185 CD PRO A 310 49.024 30.981 44.303 1.00 0.02 C \nATOM 1186 HA PRO A 310 52.064 30.708 43.580 1.00 0.06 H \nATOM 1187 HD3 PRO A 310 48.704 32.025 44.437 1.00 0.04 H \nATOM 1188 HD2 PRO A 310 48.142 30.345 44.138 1.00 0.04 H \nATOM 1189 HG3 PRO A 310 50.327 31.351 45.970 1.00 0.02 H \nATOM 1190 HG2 PRO A 310 49.160 30.007 46.213 1.00 0.02 H \nATOM 1191 HB2 PRO A 310 50.387 28.527 44.873 1.00 0.03 H \nATOM 1192 HB3 PRO A 310 51.716 29.507 45.582 1.00 0.03 H \nATOM 1193 N PHE A 311 52.674 28.595 42.330 1.00 -0.42 N \nATOM 1194 CA PHE A 311 53.028 27.499 41.443 1.00 -0.00 C \nATOM 1195 C PHE A 311 53.109 26.193 42.209 1.00 0.60 C \nATOM 1196 O PHE A 311 53.645 26.137 43.319 1.00 -0.57 O \nATOM 1197 CB PHE A 311 54.363 27.770 40.746 1.00 -0.03 C \nATOM 1198 CG PHE A 311 54.381 29.043 39.953 1.00 0.01 C \nATOM 1199 CD1 PHE A 311 55.014 30.172 40.446 1.00 -0.13 C \nATOM 1200 CD2 PHE A 311 53.746 29.119 38.721 1.00 -0.13 C \nATOM 1201 CE1 PHE A 311 55.025 31.352 39.720 1.00 -0.17 C \nATOM 1202 CE2 PHE A 311 53.748 30.298 37.992 1.00 -0.17 C \nATOM 1203 CZ PHE A 311 54.391 31.414 38.493 1.00 -0.11 C \nATOM 1204 HA PHE A 311 52.245 27.408 40.676 1.00 0.10 H \nATOM 1205 HB2 PHE A 311 55.150 27.827 41.513 1.00 0.03 H \nATOM 1206 HB3 PHE A 311 54.575 26.933 40.064 1.00 0.03 H \nATOM 1207 HD2 PHE A 311 53.242 28.245 38.324 1.00 0.13 H \nATOM 1208 HE2 PHE A 311 53.247 30.344 37.032 1.00 0.14 H \nATOM 1209 HZ PHE A 311 54.398 32.337 37.925 1.00 0.13 H \nATOM 1210 HE1 PHE A 311 55.531 32.226 40.114 1.00 0.14 H \nATOM 1211 HD1 PHE A 311 55.506 30.132 41.411 1.00 0.13 H \nATOM 1212 H PHE A 311 53.401 29.137 42.751 1.00 0.27 H \nATOM 1213 N TYR A 312 52.566 25.141 41.611 1.00 -0.42 N \nATOM 1214 CA TYR A 312 52.546 23.830 42.234 1.00 -0.00 C \nATOM 1215 C TYR A 312 53.405 22.847 41.455 1.00 0.60 C \nATOM 1216 O TYR A 312 53.469 22.897 40.229 1.00 -0.57 O \nATOM 1217 CB TYR A 312 51.114 23.293 42.298 1.00 -0.02 C \nATOM 1218 CG TYR A 312 50.249 23.902 43.377 1.00 -0.00 C \nATOM 1219 CD1 TYR A 312 48.937 23.484 43.554 1.00 -0.19 C \nATOM 1220 CD2 TYR A 312 50.738 24.891 44.217 1.00 -0.19 C \nATOM 1221 CE1 TYR A 312 48.136 24.033 44.535 1.00 -0.23 C \nATOM 1222 CE2 TYR A 312 49.944 25.446 45.202 1.00 -0.23 C \nATOM 1223 CZ TYR A 312 48.644 25.012 45.355 1.00 0.32 C \nATOM 1224 OH TYR A 312 47.848 25.560 46.333 1.00 -0.56 O \nATOM 1225 HA TYR A 312 52.943 23.920 43.256 1.00 0.09 H \nATOM 1226 HB3 TYR A 312 50.634 23.486 41.327 1.00 0.03 H \nATOM 1227 HB2 TYR A 312 51.164 22.208 42.473 1.00 0.03 H \nATOM 1228 HD2 TYR A 312 51.759 25.234 44.099 1.00 0.17 H \nATOM 1229 HE2 TYR A 312 50.341 26.218 45.851 1.00 0.17 H \nATOM 1230 HE1 TYR A 312 47.114 23.694 44.658 1.00 0.17 H \nATOM 1231 HD1 TYR A 312 48.534 22.711 42.909 1.00 0.17 H \nATOM 1232 HH TYR A 312 46.989 25.155 46.306 1.00 0.40 H \nATOM 1233 H TYR A 312 52.159 25.254 40.705 1.00 0.27 H \nATOM 1234 N ILE A 313 54.054 21.946 42.178 1.00 -0.42 N \nATOM 1235 CA ILE A 313 54.748 20.824 41.571 1.00 -0.06 C \nATOM 1236 C ILE A 313 54.275 19.564 42.278 1.00 0.60 C \nATOM 1237 O ILE A 313 54.705 19.267 43.388 1.00 -0.57 O \nATOM 1238 CB ILE A 313 56.276 20.952 41.689 1.00 0.13 C \nATOM 1239 CG1 ILE A 313 56.801 21.984 40.691 1.00 -0.04 C \nATOM 1240 CG2 ILE A 313 56.942 19.607 41.450 1.00 -0.32 C \nATOM 1241 CD1 ILE A 313 58.310 22.075 40.643 1.00 -0.07 C \nATOM 1242 HA ILE A 313 54.482 20.770 40.505 1.00 0.09 H \nATOM 1243 HB ILE A 313 56.522 21.290 42.706 1.00 0.02 H \nATOM 1244 HG12 ILE A 313 56.438 21.713 39.689 1.00 0.02 H \nATOM 1245 HG13 ILE A 313 56.403 22.971 40.971 1.00 0.02 H \nATOM 1246 HD11 ILE A 313 58.728 21.097 40.363 1.00 0.02 H \nATOM 1247 HD12 ILE A 313 58.608 22.828 39.898 1.00 0.02 H \nATOM 1248 HD13 ILE A 313 58.691 22.367 41.633 1.00 0.02 H \nATOM 1249 HG21 ILE A 313 56.682 19.242 40.445 1.00 0.09 H \nATOM 1250 HG22 ILE A 313 58.033 19.719 41.528 1.00 0.09 H \nATOM 1251 HG23 ILE A 313 56.593 18.886 42.204 1.00 0.09 H \nATOM 1252 H ILE A 313 54.066 22.042 43.173 1.00 0.27 H \nATOM 1253 N ILE A 314 53.366 18.838 41.639 1.00 -0.42 N \nATOM 1254 CA ILE A 314 52.767 17.661 42.251 1.00 -0.06 C \nATOM 1255 C ILE A 314 53.647 16.428 42.099 1.00 0.60 C \nATOM 1256 O ILE A 314 53.963 16.005 40.990 1.00 -0.57 O \nATOM 1257 CB ILE A 314 51.363 17.382 41.688 1.00 0.13 C \nATOM 1258 CG1 ILE A 314 50.447 18.577 41.951 1.00 -0.04 C \nATOM 1259 CG2 ILE A 314 50.783 16.124 42.311 1.00 -0.32 C \nATOM 1260 CD1 ILE A 314 49.641 19.009 40.746 1.00 -0.07 C \nATOM 1261 HA ILE A 314 52.663 17.867 43.327 1.00 0.09 H \nATOM 1262 HB ILE A 314 51.443 17.231 40.601 1.00 0.02 H \nATOM 1263 HG12 ILE A 314 49.748 18.307 42.756 1.00 0.02 H \nATOM 1264 HG13 ILE A 314 51.068 19.425 42.274 1.00 0.02 H \nATOM 1265 HD11 ILE A 314 49.010 18.174 40.408 1.00 0.02 H \nATOM 1266 HD12 ILE A 314 49.003 19.863 41.018 1.00 0.02 H \nATOM 1267 HD13 ILE A 314 50.323 19.305 39.935 1.00 0.02 H \nATOM 1268 HG21 ILE A 314 50.722 16.250 43.402 1.00 0.09 H \nATOM 1269 HG22 ILE A 314 49.776 15.945 41.906 1.00 0.09 H \nATOM 1270 HG23 ILE A 314 51.431 15.266 42.076 1.00 0.09 H \nATOM 1271 H ILE A 314 53.087 19.106 40.717 1.00 0.27 H \nATOM 1272 N ILE A 315 54.036 15.859 43.232 1.00 -0.42 N \nATOM 1273 CA ILE A 315 54.947 14.729 43.252 1.00 -0.06 C \nATOM 1274 C ILE A 315 54.342 13.575 44.040 1.00 0.60 C \nATOM 1275 O ILE A 315 53.574 13.795 44.993 1.00 -0.57 O \nATOM 1276 CB ILE A 315 56.260 15.139 43.929 1.00 0.13 C \nATOM 1277 CG1 ILE A 315 56.948 16.233 43.118 1.00 -0.04 C \nATOM 1278 CG2 ILE A 315 57.172 13.952 44.088 1.00 -0.32 C \nATOM 1279 CD1 ILE A 315 58.278 16.626 43.733 1.00 -0.07 C \nATOM 1280 HA ILE A 315 55.147 14.405 42.220 1.00 0.09 H \nATOM 1281 HB ILE A 315 56.028 15.536 44.928 1.00 0.02 H \nATOM 1282 HG12 ILE A 315 57.121 15.865 42.096 1.00 0.02 H \nATOM 1283 HG13 ILE A 315 56.295 17.117 43.084 1.00 0.02 H \nATOM 1284 HD11 ILE A 315 58.937 15.746 43.776 1.00 0.02 H \nATOM 1285 HD12 ILE A 315 58.750 17.407 43.119 1.00 0.02 H \nATOM 1286 HD13 ILE A 315 58.112 17.010 44.750 1.00 0.02 H \nATOM 1287 HG21 ILE A 315 57.392 13.523 43.099 1.00 0.09 H \nATOM 1288 HG22 ILE A 315 58.110 14.272 44.566 1.00 0.09 H \nATOM 1289 HG23 ILE A 315 56.681 13.194 44.715 1.00 0.09 H \nATOM 1290 H ILE A 315 53.691 16.219 44.099 1.00 0.27 H \nATOM 1291 N GLU A 316 54.695 12.346 43.664 1.00 -0.52 N \nATOM 1292 CA GLU A 316 54.162 11.195 44.380 1.00 0.04 C \nATOM 1293 C GLU A 316 54.538 11.280 45.858 1.00 0.54 C \nATOM 1294 O GLU A 316 55.590 11.827 46.241 1.00 -0.58 O \nATOM 1295 CB GLU A 316 54.641 9.869 43.774 1.00 0.06 C \nATOM 1296 CG GLU A 316 56.127 9.619 43.891 1.00 0.01 C \nATOM 1297 CD GLU A 316 56.499 8.238 43.361 1.00 0.81 C \nATOM 1298 OE1 GLU A 316 57.616 8.073 42.805 1.00 -0.82 O \nATOM 1299 OE2 GLU A 316 55.664 7.307 43.513 1.00 -0.82 O \nATOM 1300 HA GLU A 316 53.065 11.225 44.302 1.00 0.11 H \nATOM 1301 HB2 GLU A 316 54.115 9.049 44.285 1.00 -0.02 H \nATOM 1302 HB3 GLU A 316 54.376 9.865 42.706 1.00 -0.02 H \nATOM 1303 HG2 GLU A 316 56.666 10.383 43.311 1.00 -0.04 H \nATOM 1304 HG3 GLU A 316 56.420 9.688 44.949 1.00 -0.04 H \nATOM 1305 H GLU A 316 55.321 12.215 42.896 1.00 0.29 H \nATOM 1306 N PHE A 317 53.654 10.738 46.677 1.00 -0.42 N \nATOM 1307 CA PHE A 317 53.819 10.734 48.114 1.00 -0.00 C \nATOM 1308 C PHE A 317 54.495 9.424 48.533 1.00 0.60 C \nATOM 1309 O PHE A 317 54.022 8.342 48.191 1.00 -0.57 O \nATOM 1310 CB PHE A 317 52.444 10.880 48.790 1.00 -0.03 C \nATOM 1311 CG PHE A 317 52.506 10.856 50.284 1.00 0.01 C \nATOM 1312 CD1 PHE A 317 53.032 11.931 50.985 1.00 -0.13 C \nATOM 1313 CD2 PHE A 317 52.069 9.746 50.995 1.00 -0.13 C \nATOM 1314 CE1 PHE A 317 53.100 11.913 52.366 1.00 -0.17 C \nATOM 1315 CE2 PHE A 317 52.131 9.726 52.377 1.00 -0.17 C \nATOM 1316 CZ PHE A 317 52.657 10.811 53.064 1.00 -0.11 C \nATOM 1317 HA PHE A 317 54.456 11.580 48.411 1.00 0.10 H \nATOM 1318 HB2 PHE A 317 52.002 11.837 48.476 1.00 0.03 H \nATOM 1319 HB3 PHE A 317 51.802 10.052 48.455 1.00 0.03 H \nATOM 1320 HD2 PHE A 317 51.676 8.888 50.462 1.00 0.13 H \nATOM 1321 HE2 PHE A 317 51.769 8.863 52.923 1.00 0.14 H \nATOM 1322 HZ PHE A 317 52.719 10.791 54.146 1.00 0.13 H \nATOM 1323 HE1 PHE A 317 53.502 12.767 52.900 1.00 0.14 H \nATOM 1324 HD1 PHE A 317 53.395 12.797 50.443 1.00 0.13 H \nATOM 1325 H PHE A 317 52.837 10.313 46.287 1.00 0.27 H \nATOM 1326 N MET A 318 55.612 9.531 49.241 1.00 -0.42 N \nATOM 1327 CA MET A 318 56.371 8.365 49.698 1.00 -0.02 C \nATOM 1328 C MET A 318 56.058 8.152 51.166 1.00 0.60 C \nATOM 1329 O MET A 318 56.441 8.962 51.998 1.00 -0.57 O \nATOM 1330 CB MET A 318 57.880 8.588 49.516 1.00 0.03 C \nATOM 1331 CG MET A 318 58.290 8.778 48.062 1.00 0.00 C \nATOM 1332 SD MET A 318 57.747 7.404 47.009 1.00 -0.27 S \nATOM 1333 CE MET A 318 58.801 6.086 47.624 1.00 -0.05 C \nATOM 1334 HA MET A 318 56.066 7.479 49.121 1.00 0.09 H \nATOM 1335 HB2 MET A 318 58.171 9.486 50.081 1.00 0.02 H \nATOM 1336 HB3 MET A 318 58.413 7.714 49.918 1.00 0.02 H \nATOM 1337 HG2 MET A 318 57.842 9.710 47.687 1.00 0.04 H \nATOM 1338 HG3 MET A 318 59.386 8.852 48.010 1.00 0.04 H \nATOM 1339 HE1 MET A 318 58.612 5.936 48.697 1.00 0.07 H \nATOM 1340 HE2 MET A 318 58.581 5.156 47.079 1.00 0.07 H \nATOM 1341 HE3 MET A 318 59.856 6.359 47.472 1.00 0.07 H \nATOM 1342 H MET A 318 55.949 10.444 49.472 1.00 0.27 H \nATOM 1343 N THR A 319 55.359 7.069 51.491 1.00 -0.42 N \nATOM 1344 CA THR A 319 54.764 6.961 52.825 1.00 -0.04 C \nATOM 1345 C THR A 319 55.760 7.022 53.981 1.00 0.60 C \nATOM 1346 O THR A 319 55.467 7.619 55.020 1.00 -0.57 O \nATOM 1347 CB THR A 319 53.802 5.737 52.974 1.00 0.37 C \nATOM 1348 OG1 THR A 319 54.526 4.516 52.818 1.00 -0.68 O \nATOM 1349 CG2 THR A 319 52.689 5.795 51.929 1.00 -0.24 C \nATOM 1350 HA THR A 319 54.133 7.855 52.932 1.00 0.10 H \nATOM 1351 HB THR A 319 53.352 5.762 53.977 1.00 0.00 H \nATOM 1352 HG1 THR A 319 53.931 3.781 52.911 1.00 0.41 H \nATOM 1353 HG23 THR A 319 51.780 6.215 52.384 1.00 0.06 H \nATOM 1354 HG21 THR A 319 53.007 6.431 51.090 1.00 0.06 H \nATOM 1355 HG22 THR A 319 52.479 4.780 51.560 1.00 0.06 H \nATOM 1356 H THR A 319 55.240 6.331 50.827 1.00 0.27 H \nATOM 1357 N TYR A 320 56.944 6.443 53.818 1.00 -0.42 N \nATOM 1358 CA TYR A 320 57.864 6.386 54.963 1.00 -0.00 C \nATOM 1359 C TYR A 320 58.813 7.572 55.092 1.00 0.60 C \nATOM 1360 O TYR A 320 59.680 7.572 55.966 1.00 -0.57 O \nATOM 1361 CB TYR A 320 58.642 5.062 55.000 1.00 -0.02 C \nATOM 1362 CG TYR A 320 57.772 3.882 55.355 1.00 -0.00 C \nATOM 1363 CD1 TYR A 320 57.246 3.072 54.365 1.00 -0.19 C \nATOM 1364 CD2 TYR A 320 57.451 3.597 56.681 1.00 -0.19 C \nATOM 1365 CE1 TYR A 320 56.436 1.996 54.676 1.00 -0.23 C \nATOM 1366 CE2 TYR A 320 56.644 2.519 57.004 1.00 -0.23 C \nATOM 1367 CZ TYR A 320 56.138 1.720 55.995 1.00 0.32 C \nATOM 1368 OH TYR A 320 55.330 0.644 56.303 1.00 -0.56 O \nATOM 1369 HA TYR A 320 57.229 6.406 55.861 1.00 0.09 H \nATOM 1370 HB3 TYR A 320 59.084 4.887 54.008 1.00 0.03 H \nATOM 1371 HB2 TYR A 320 59.443 5.146 55.749 1.00 0.03 H \nATOM 1372 HD2 TYR A 320 57.839 4.229 57.472 1.00 0.17 H \nATOM 1373 HE2 TYR A 320 56.411 2.303 58.040 1.00 0.17 H \nATOM 1374 HE1 TYR A 320 56.036 1.371 53.886 1.00 0.17 H \nATOM 1375 HD1 TYR A 320 57.473 3.285 53.327 1.00 0.17 H \nATOM 1376 HH TYR A 320 55.071 0.203 55.502 1.00 0.40 H \nATOM 1377 H TYR A 320 57.204 6.054 52.934 1.00 0.27 H \nATOM 1378 N GLY A 321 58.675 8.570 54.225 1.00 -0.42 N \nATOM 1379 CA GLY A 321 59.487 9.771 54.365 1.00 -0.03 C \nATOM 1380 C GLY A 321 60.938 9.565 53.921 1.00 0.60 C \nATOM 1381 O GLY A 321 61.213 8.729 53.064 1.00 -0.57 O \nATOM 1382 HA3 GLY A 321 59.042 10.569 53.752 1.00 0.07 H \nATOM 1383 HA2 GLY A 321 59.483 10.076 55.422 1.00 0.07 H \nATOM 1384 H GLY A 321 58.015 8.496 53.478 1.00 0.27 H \nATOM 1385 N ASN A 322 61.864 10.328 54.483 1.00 -0.42 N \nATOM 1386 CA ASN A 322 63.254 10.284 54.007 1.00 0.01 C \nATOM 1387 C ASN A 322 64.099 9.148 54.591 1.00 0.60 C \nATOM 1388 O ASN A 322 63.923 8.757 55.741 1.00 -0.57 O \nATOM 1389 CB ASN A 322 63.963 11.642 54.180 1.00 -0.20 C \nATOM 1390 CG ASN A 322 64.419 11.901 55.604 1.00 0.71 C \nATOM 1391 OD1 ASN A 322 65.407 11.322 56.079 1.00 -0.59 O \nATOM 1392 ND2 ASN A 322 63.720 12.799 56.287 1.00 -0.92 N \nATOM 1393 HA ASN A 322 63.196 10.094 52.925 1.00 0.10 H \nATOM 1394 HB2 ASN A 322 64.844 11.663 53.521 1.00 0.08 H \nATOM 1395 HB3 ASN A 322 63.266 12.440 53.885 1.00 0.08 H \nATOM 1396 HD22 ASN A 322 63.970 13.015 57.231 1.00 0.42 H \nATOM 1397 HD21 ASN A 322 62.943 13.260 55.858 1.00 0.42 H \nATOM 1398 H ASN A 322 61.616 10.938 55.236 1.00 0.27 H \nATOM 1399 N LEU A 323 65.031 8.658 53.783 1.00 -0.42 N \nATOM 1400 CA LEU A 323 65.907 7.543 54.137 1.00 -0.05 C \nATOM 1401 C LEU A 323 66.731 7.755 55.427 1.00 0.60 C \nATOM 1402 O LEU A 323 66.902 6.832 56.239 1.00 -0.57 O \nATOM 1403 CB LEU A 323 66.817 7.230 52.947 1.00 -0.11 C \nATOM 1404 CG LEU A 323 67.708 5.988 53.077 1.00 0.35 C \nATOM 1405 CD1 LEU A 323 66.884 4.741 53.375 1.00 -0.41 C \nATOM 1406 CD2 LEU A 323 68.575 5.807 51.779 1.00 -0.41 C \nATOM 1407 HA LEU A 323 65.265 6.667 54.311 1.00 0.09 H \nATOM 1408 HB2 LEU A 323 66.177 7.091 52.063 1.00 0.05 H \nATOM 1409 HB3 LEU A 323 67.474 8.098 52.791 1.00 0.05 H \nATOM 1410 HG LEU A 323 68.392 6.148 53.923 1.00 -0.04 H \nATOM 1411 HD21 LEU A 323 69.203 6.698 51.630 1.00 0.10 H \nATOM 1412 HD22 LEU A 323 69.217 4.920 51.887 1.00 0.10 H \nATOM 1413 HD23 LEU A 323 67.912 5.676 50.911 1.00 0.10 H \nATOM 1414 HD11 LEU A 323 66.160 4.578 52.564 1.00 0.10 H \nATOM 1415 HD12 LEU A 323 67.551 3.870 53.451 1.00 0.10 H \nATOM 1416 HD13 LEU A 323 66.346 4.875 54.325 1.00 0.10 H \nATOM 1417 H LEU A 323 65.140 9.075 52.881 1.00 0.27 H \nATOM 1418 N LEU A 324 67.226 8.971 55.628 1.00 -0.42 N \nATOM 1419 CA LEU A 324 68.012 9.274 56.821 1.00 -0.05 C \nATOM 1420 C LEU A 324 67.231 8.939 58.099 1.00 0.60 C \nATOM 1421 O LEU A 324 67.683 8.126 58.903 1.00 -0.57 O \nATOM 1422 CB LEU A 324 68.474 10.737 56.808 1.00 -0.11 C \nATOM 1423 CG LEU A 324 69.450 11.187 57.907 1.00 0.35 C \nATOM 1424 CD1 LEU A 324 70.670 10.255 57.983 1.00 -0.41 C \nATOM 1425 CD2 LEU A 324 69.902 12.648 57.690 1.00 -0.41 C \nATOM 1426 HA LEU A 324 68.910 8.639 56.803 1.00 0.09 H \nATOM 1427 HB2 LEU A 324 68.963 10.919 55.840 1.00 0.05 H \nATOM 1428 HB3 LEU A 324 67.575 11.366 56.889 1.00 0.05 H \nATOM 1429 HG LEU A 324 68.921 11.134 58.870 1.00 -0.04 H \nATOM 1430 HD21 LEU A 324 69.023 13.309 57.698 1.00 0.10 H \nATOM 1431 HD22 LEU A 324 70.590 12.943 58.496 1.00 0.10 H \nATOM 1432 HD23 LEU A 324 70.415 12.733 56.721 1.00 0.10 H \nATOM 1433 HD11 LEU A 324 71.193 10.256 57.015 1.00 0.10 H \nATOM 1434 HD12 LEU A 324 71.353 10.608 58.770 1.00 0.10 H \nATOM 1435 HD13 LEU A 324 70.337 9.233 58.218 1.00 0.10 H \nATOM 1436 H LEU A 324 67.058 9.689 54.953 1.00 0.27 H \nATOM 1437 N ASP A 325 66.044 9.533 58.252 1.00 -0.52 N \nATOM 1438 CA ASP A 325 65.190 9.292 59.399 1.00 0.04 C \nATOM 1439 C ASP A 325 64.745 7.846 59.469 1.00 0.54 C \nATOM 1440 O ASP A 325 64.620 7.273 60.556 1.00 -0.58 O \nATOM 1441 CB ASP A 325 63.944 10.189 59.347 1.00 -0.03 C \nATOM 1442 CG ASP A 325 64.266 11.655 59.573 1.00 0.80 C \nATOM 1443 OD1 ASP A 325 65.359 11.953 60.107 1.00 -0.80 O \nATOM 1444 OD2 ASP A 325 63.414 12.509 59.226 1.00 -0.80 O \nATOM 1445 HA ASP A 325 65.760 9.529 60.309 1.00 0.09 H \nATOM 1446 HB2 ASP A 325 63.474 10.081 58.359 1.00 -0.01 H \nATOM 1447 HB3 ASP A 325 63.241 9.859 60.126 1.00 -0.01 H \nATOM 1448 H ASP A 325 65.732 10.170 57.547 1.00 0.29 H \nATOM 1449 N TYR A 326 64.473 7.267 58.304 1.00 -0.42 N \nATOM 1450 CA TYR A 326 64.062 5.861 58.220 1.00 -0.00 C \nATOM 1451 C TYR A 326 65.156 4.932 58.780 1.00 0.60 C \nATOM 1452 O TYR A 326 64.880 4.077 59.632 1.00 -0.57 O \nATOM 1453 CB TYR A 326 63.739 5.501 56.774 1.00 -0.02 C \nATOM 1454 CG TYR A 326 63.191 4.103 56.548 1.00 -0.00 C \nATOM 1455 CD1 TYR A 326 61.847 3.806 56.787 1.00 -0.19 C \nATOM 1456 CD2 TYR A 326 64.004 3.091 56.038 1.00 -0.19 C \nATOM 1457 CE1 TYR A 326 61.338 2.522 56.559 1.00 -0.23 C \nATOM 1458 CE2 TYR A 326 63.505 1.812 55.809 1.00 -0.23 C \nATOM 1459 CZ TYR A 326 62.164 1.539 56.071 1.00 0.32 C \nATOM 1460 OH TYR A 326 61.674 0.279 55.826 1.00 -0.56 O \nATOM 1461 HA TYR A 326 63.153 5.727 58.825 1.00 0.09 H \nATOM 1462 HB3 TYR A 326 62.992 6.220 56.406 1.00 0.03 H \nATOM 1463 HB2 TYR A 326 64.664 5.600 56.187 1.00 0.03 H \nATOM 1464 HD2 TYR A 326 65.043 3.304 55.816 1.00 0.17 H \nATOM 1465 HE2 TYR A 326 64.156 1.033 55.429 1.00 0.17 H \nATOM 1466 HE1 TYR A 326 60.297 2.304 56.767 1.00 0.17 H \nATOM 1467 HD1 TYR A 326 61.187 4.583 57.155 1.00 0.17 H \nATOM 1468 HH TYR A 326 60.752 0.249 56.052 1.00 0.40 H \nATOM 1469 H TYR A 326 64.550 7.803 57.463 1.00 0.27 H \nATOM 1470 N LEU A 327 66.389 5.110 58.316 1.00 -0.42 N \nATOM 1471 CA LEU A 327 67.528 4.362 58.869 1.00 -0.05 C \nATOM 1472 C LEU A 327 67.702 4.569 60.377 1.00 0.60 C \nATOM 1473 O LEU A 327 67.942 3.607 61.132 1.00 -0.57 O \nATOM 1474 CB LEU A 327 68.828 4.719 58.148 1.00 -0.11 C \nATOM 1475 CG LEU A 327 68.881 4.243 56.688 1.00 0.35 C \nATOM 1476 CD1 LEU A 327 70.094 4.817 55.927 1.00 -0.41 C \nATOM 1477 CD2 LEU A 327 68.887 2.729 56.616 1.00 -0.41 C \nATOM 1478 HA LEU A 327 67.330 3.293 58.701 1.00 0.09 H \nATOM 1479 HB2 LEU A 327 68.942 5.813 58.160 1.00 0.05 H \nATOM 1480 HB3 LEU A 327 69.664 4.258 58.693 1.00 0.05 H \nATOM 1481 HG LEU A 327 67.971 4.604 56.187 1.00 -0.04 H \nATOM 1482 HD21 LEU A 327 67.977 2.336 57.093 1.00 0.10 H \nATOM 1483 HD22 LEU A 327 68.915 2.412 55.563 1.00 0.10 H \nATOM 1484 HD23 LEU A 327 69.773 2.341 57.139 1.00 0.10 H \nATOM 1485 HD11 LEU A 327 71.022 4.506 56.429 1.00 0.10 H \nATOM 1486 HD12 LEU A 327 70.091 4.439 54.894 1.00 0.10 H \nATOM 1487 HD13 LEU A 327 70.034 5.915 55.916 1.00 0.10 H \nATOM 1488 H LEU A 327 66.545 5.765 57.577 1.00 0.27 H \nATOM 1489 N ARG A 328 67.569 5.810 60.836 1.00 -0.35 N \nATOM 1490 CA ARG A 328 67.745 6.076 62.263 1.00 -0.26 C \nATOM 1491 C ARG A 328 66.701 5.373 63.116 1.00 0.73 C \nATOM 1492 O ARG A 328 66.997 4.871 64.203 1.00 -0.59 O \nATOM 1493 CB ARG A 328 67.714 7.580 62.541 1.00 -0.00 C \nATOM 1494 CG ARG A 328 68.965 8.265 62.049 1.00 0.04 C \nATOM 1495 CD ARG A 328 68.979 9.742 62.278 1.00 0.05 C \nATOM 1496 NE ARG A 328 70.223 10.263 61.707 1.00 -0.53 N \nATOM 1497 CZ ARG A 328 70.559 11.546 61.636 1.00 0.81 C \nATOM 1498 NH1 ARG A 328 69.735 12.476 62.111 1.00 -0.86 N \nATOM 1499 NH2 ARG A 328 71.729 11.893 61.091 1.00 -0.86 N \nATOM 1500 HA ARG A 328 68.734 5.693 62.555 1.00 0.16 H \nATOM 1501 HB2 ARG A 328 66.844 8.019 62.031 1.00 0.03 H \nATOM 1502 HB3 ARG A 328 67.623 7.740 63.625 1.00 0.03 H \nATOM 1503 HG2 ARG A 328 69.828 7.826 62.571 1.00 0.03 H \nATOM 1504 HG3 ARG A 328 69.058 8.082 60.968 1.00 0.03 H \nATOM 1505 HD2 ARG A 328 68.114 10.207 61.782 1.00 0.07 H \nATOM 1506 HD3 ARG A 328 68.942 9.955 63.356 1.00 0.07 H \nATOM 1507 HE ARG A 328 70.893 9.578 61.329 1.00 0.35 H \nATOM 1508 HH12 ARG A 328 69.995 13.471 62.056 1.00 0.45 H \nATOM 1509 HH11 ARG A 328 68.837 12.201 62.534 1.00 0.45 H \nATOM 1510 HH22 ARG A 328 71.996 12.886 61.033 1.00 0.45 H \nATOM 1511 HH21 ARG A 328 72.364 11.167 60.729 1.00 0.45 H \nATOM 1512 H ARG A 328 67.350 6.557 60.209 1.00 0.27 H \nATOM 1513 N GLU A 329 65.471 5.334 62.624 1.00 -0.52 N \nATOM 1514 CA GLU A 329 64.343 4.912 63.459 1.00 0.04 C \nATOM 1515 C GLU A 329 63.941 3.438 63.300 1.00 0.54 C \nATOM 1516 O GLU A 329 63.030 2.975 63.982 1.00 -0.58 O \nATOM 1517 CB GLU A 329 63.138 5.814 63.159 1.00 0.06 C \nATOM 1518 CG GLU A 329 63.344 7.256 63.614 1.00 0.01 C \nATOM 1519 CD GLU A 329 62.485 8.252 62.837 1.00 0.81 C \nATOM 1520 OE1 GLU A 329 61.601 7.809 62.063 1.00 -0.82 O \nATOM 1521 OE2 GLU A 329 62.694 9.480 62.991 1.00 -0.82 O \nATOM 1522 HA GLU A 329 64.636 5.060 64.509 1.00 0.11 H \nATOM 1523 HB2 GLU A 329 62.960 5.811 62.074 1.00 -0.02 H \nATOM 1524 HB3 GLU A 329 62.257 5.406 63.676 1.00 -0.02 H \nATOM 1525 HG2 GLU A 329 63.087 7.328 64.681 1.00 -0.04 H \nATOM 1526 HG3 GLU A 329 64.402 7.521 63.474 1.00 -0.04 H \nATOM 1527 H GLU A 329 65.311 5.596 61.672 1.00 0.29 H \nATOM 1528 N CYS A 330 64.611 2.704 62.408 1.00 -0.42 N \nATOM 1529 CA CYS A 330 64.099 1.393 62.038 1.00 0.02 C \nATOM 1530 C CYS A 330 64.395 0.336 63.103 1.00 0.60 C \nATOM 1531 O CYS A 330 65.139 0.571 64.069 1.00 -0.57 O \nATOM 1532 CB CYS A 330 64.665 0.931 60.690 1.00 -0.12 C \nATOM 1533 SG CYS A 330 66.452 0.570 60.731 1.00 -0.31 S \nATOM 1534 HA CYS A 330 63.007 1.479 61.939 1.00 0.11 H \nATOM 1535 HB2 CYS A 330 64.133 0.018 60.384 1.00 0.11 H \nATOM 1536 HB3 CYS A 330 64.488 1.724 59.949 1.00 0.11 H \nATOM 1537 HG CYS A 330 66.756 0.273 59.817 1.00 0.19 H \nATOM 1538 H CYS A 330 65.455 3.051 61.999 1.00 0.27 H \nATOM 1539 N ASN A 331 63.810 -0.836 62.875 1.00 -0.42 N \nATOM 1540 CA ASN A 331 64.122 -2.061 63.569 1.00 0.01 C \nATOM 1541 C ASN A 331 65.207 -2.750 62.714 1.00 0.60 C \nATOM 1542 O ASN A 331 64.945 -3.203 61.593 1.00 -0.57 O \nATOM 1543 CB ASN A 331 62.851 -2.905 63.615 1.00 -0.20 C \nATOM 1544 CG ASN A 331 63.078 -4.314 64.141 1.00 0.71 C \nATOM 1545 OD1 ASN A 331 64.227 -4.763 64.337 1.00 -0.59 O \nATOM 1546 ND2 ASN A 331 61.966 -5.046 64.350 1.00 -0.92 N \nATOM 1547 HA ASN A 331 64.490 -1.866 64.587 1.00 0.10 H \nATOM 1548 HB2 ASN A 331 62.123 -2.402 64.268 1.00 0.08 H \nATOM 1549 HB3 ASN A 331 62.442 -2.975 62.596 1.00 0.08 H \nATOM 1550 HD22 ASN A 331 62.041 -5.982 64.695 1.00 0.42 H \nATOM 1551 HD21 ASN A 331 61.066 -4.654 64.160 1.00 0.42 H \nATOM 1552 H ASN A 331 63.101 -0.871 62.170 1.00 0.27 H \nATOM 1553 N ARG A 332 66.423 -2.852 63.223 1.00 -0.35 N \nATOM 1554 CA ARG A 332 67.514 -3.354 62.370 1.00 -0.26 C \nATOM 1555 C ARG A 332 67.383 -4.836 62.032 1.00 0.73 C \nATOM 1556 O ARG A 332 67.970 -5.305 61.052 1.00 -0.59 O \nATOM 1557 CB ARG A 332 68.878 -3.066 63.009 1.00 -0.00 C \nATOM 1558 CG ARG A 332 69.086 -1.599 63.324 1.00 0.04 C \nATOM 1559 CD ARG A 332 70.556 -1.303 63.520 1.00 0.05 C \nATOM 1560 NE ARG A 332 70.774 0.115 63.784 1.00 -0.53 N \nATOM 1561 CZ ARG A 332 71.963 0.662 64.031 1.00 0.81 C \nATOM 1562 NH1 ARG A 332 73.057 -0.105 64.075 1.00 -0.86 N \nATOM 1563 NH2 ARG A 332 72.048 1.965 64.267 1.00 -0.86 N \nATOM 1564 HA ARG A 332 67.465 -2.799 61.421 1.00 0.16 H \nATOM 1565 HB2 ARG A 332 68.955 -3.640 63.944 1.00 0.03 H \nATOM 1566 HB3 ARG A 332 69.666 -3.390 62.314 1.00 0.03 H \nATOM 1567 HG2 ARG A 332 68.702 -0.992 62.491 1.00 0.03 H \nATOM 1568 HG3 ARG A 332 68.540 -1.345 64.244 1.00 0.03 H \nATOM 1569 HD2 ARG A 332 70.930 -1.889 64.372 1.00 0.07 H \nATOM 1570 HD3 ARG A 332 71.105 -1.588 62.610 1.00 0.07 H \nATOM 1571 HE ARG A 332 69.952 0.736 63.779 1.00 0.35 H \nATOM 1572 HH12 ARG A 332 73.976 0.319 64.266 1.00 0.45 H \nATOM 1573 HH11 ARG A 332 72.981 -1.120 63.918 1.00 0.45 H \nATOM 1574 HH22 ARG A 332 72.964 2.395 64.459 1.00 0.45 H \nATOM 1575 HH21 ARG A 332 71.198 2.546 64.258 1.00 0.45 H \nATOM 1576 H ARG A 332 66.599 -2.592 64.172 1.00 0.27 H \nATOM 1577 N GLN A 333 66.642 -5.575 62.854 1.00 -0.42 N \nATOM 1578 CA GLN A 333 66.318 -6.969 62.534 1.00 -0.00 C \nATOM 1579 C GLN A 333 65.484 -7.062 61.253 1.00 0.60 C \nATOM 1580 O GLN A 333 65.628 -8.009 60.482 1.00 -0.57 O \nATOM 1581 CB GLN A 333 65.583 -7.660 63.692 1.00 -0.00 C \nATOM 1582 CG GLN A 333 66.450 -7.885 64.893 1.00 -0.06 C \nATOM 1583 CD GLN A 333 67.754 -8.591 64.529 1.00 0.70 C \nATOM 1584 OE1 GLN A 333 67.757 -9.773 64.165 1.00 -0.61 O \nATOM 1585 NE2 GLN A 333 68.868 -7.867 64.629 1.00 -0.94 N \nATOM 1586 HA GLN A 333 67.264 -7.504 62.365 1.00 0.09 H \nATOM 1587 HB2 GLN A 333 64.731 -7.031 63.989 1.00 0.02 H \nATOM 1588 HB3 GLN A 333 65.215 -8.635 63.340 1.00 0.02 H \nATOM 1589 HG2 GLN A 333 66.687 -6.912 65.348 1.00 0.04 H \nATOM 1590 HG3 GLN A 333 65.901 -8.504 65.617 1.00 0.04 H \nATOM 1591 HE22 GLN A 333 69.752 -8.276 64.404 1.00 0.43 H \nATOM 1592 HE21 GLN A 333 68.820 -6.914 64.929 1.00 0.43 H \nATOM 1593 H GLN A 333 66.301 -5.173 63.704 1.00 0.27 H \nATOM 1594 N GLU A 334 64.627 -6.067 61.044 1.00 -0.52 N \nATOM 1595 CA GLU A 334 63.839 -5.934 59.822 1.00 0.04 C \nATOM 1596 C GLU A 334 64.692 -5.351 58.698 1.00 0.54 C \nATOM 1597 O GLU A 334 64.873 -5.970 57.640 1.00 -0.58 O \nATOM 1598 CB GLU A 334 62.600 -5.063 60.048 1.00 0.06 C \nATOM 1599 CG GLU A 334 61.675 -4.970 58.823 1.00 0.01 C \nATOM 1600 CD GLU A 334 60.720 -3.761 58.867 1.00 0.81 C \nATOM 1601 OE1 GLU A 334 60.844 -2.923 59.797 1.00 -0.82 O \nATOM 1602 OE2 GLU A 334 59.846 -3.653 57.966 1.00 -0.82 O \nATOM 1603 HA GLU A 334 63.504 -6.937 59.519 1.00 0.11 H \nATOM 1604 HB2 GLU A 334 62.026 -5.487 60.885 1.00 -0.02 H \nATOM 1605 HB3 GLU A 334 62.933 -4.048 60.309 1.00 -0.02 H \nATOM 1606 HG2 GLU A 334 62.299 -4.889 57.921 1.00 -0.04 H \nATOM 1607 HG3 GLU A 334 61.072 -5.889 58.771 1.00 -0.04 H \nATOM 1608 H GLU A 334 64.517 -5.376 61.759 1.00 0.29 H \nATOM 1609 N VAL A 335 65.216 -4.143 58.906 1.00 -0.42 N \nATOM 1610 CA VAL A 335 65.995 -3.532 57.842 1.00 -0.09 C \nATOM 1611 C VAL A 335 67.415 -3.989 58.123 1.00 0.60 C \nATOM 1612 O VAL A 335 68.176 -3.299 58.822 1.00 -0.57 O \nATOM 1613 CB VAL A 335 65.895 -1.986 57.955 1.00 0.30 C \nATOM 1614 CG1 VAL A 335 66.840 -1.281 56.989 1.00 -0.32 C \nATOM 1615 CG2 VAL A 335 64.435 -1.530 57.736 1.00 -0.32 C \nATOM 1616 HA VAL A 335 65.656 -3.865 56.850 1.00 0.10 H \nATOM 1617 HB VAL A 335 66.190 -1.703 58.976 1.00 -0.03 H \nATOM 1618 HG11 VAL A 335 66.596 -1.575 55.957 1.00 0.08 H \nATOM 1619 HG12 VAL A 335 66.728 -0.192 57.096 1.00 0.08 H \nATOM 1620 HG13 VAL A 335 67.877 -1.567 57.216 1.00 0.08 H \nATOM 1621 HG21 VAL A 335 63.787 -1.998 58.492 1.00 0.08 H \nATOM 1622 HG22 VAL A 335 64.375 -0.436 57.828 1.00 0.08 H \nATOM 1623 HG23 VAL A 335 64.103 -1.832 56.732 1.00 0.08 H \nATOM 1624 H VAL A 335 65.076 -3.668 59.775 1.00 0.27 H \nATOM 1625 N ASN A 336 67.764 -5.161 57.595 1.00 -0.42 N \nATOM 1626 CA ASN A 336 69.048 -5.806 57.868 1.00 0.01 C \nATOM 1627 C ASN A 336 70.055 -5.699 56.723 1.00 0.60 C \nATOM 1628 O ASN A 336 69.954 -4.805 55.890 1.00 -0.57 O \nATOM 1629 CB ASN A 336 68.838 -7.271 58.253 1.00 -0.20 C \nATOM 1630 CG ASN A 336 68.026 -8.034 57.227 1.00 0.71 C \nATOM 1631 OD1 ASN A 336 67.828 -7.572 56.107 1.00 -0.59 O \nATOM 1632 ND2 ASN A 336 67.553 -9.211 57.607 1.00 -0.92 N \nATOM 1633 HA ASN A 336 69.489 -5.291 58.734 1.00 0.10 H \nATOM 1634 HB2 ASN A 336 69.822 -7.753 58.353 1.00 0.08 H \nATOM 1635 HB3 ASN A 336 68.311 -7.309 59.218 1.00 0.08 H \nATOM 1636 HD22 ASN A 336 67.010 -9.760 56.972 1.00 0.42 H \nATOM 1637 HD21 ASN A 336 67.739 -9.551 58.529 1.00 0.42 H \nATOM 1638 H ASN A 336 67.119 -5.621 56.984 1.00 0.27 H \nATOM 1639 N ALA A 337 71.028 -6.608 56.686 1.00 -0.42 N \nATOM 1640 CA ALA A 337 72.117 -6.488 55.724 1.00 0.03 C \nATOM 1641 C ALA A 337 71.610 -6.635 54.291 1.00 0.60 C \nATOM 1642 O ALA A 337 72.051 -5.902 53.386 1.00 -0.57 O \nATOM 1643 CB ALA A 337 73.226 -7.503 56.026 1.00 -0.18 C \nATOM 1644 HA ALA A 337 72.546 -5.480 55.826 1.00 0.08 H \nATOM 1645 HB1 ALA A 337 74.035 -7.393 55.288 1.00 0.06 H \nATOM 1646 HB2 ALA A 337 73.624 -7.322 57.036 1.00 0.06 H \nATOM 1647 HB3 ALA A 337 72.815 -8.522 55.971 1.00 0.06 H \nATOM 1648 H ALA A 337 71.011 -7.379 57.323 1.00 0.27 H \nATOM 1649 N VAL A 338 70.682 -7.569 54.087 1.00 -0.42 N \nATOM 1650 CA VAL A 338 70.073 -7.737 52.779 1.00 -0.09 C \nATOM 1651 C VAL A 338 69.311 -6.468 52.373 1.00 0.60 C \nATOM 1652 O VAL A 338 69.359 -6.028 51.213 1.00 -0.57 O \nATOM 1653 CB VAL A 338 69.132 -8.951 52.766 1.00 0.30 C \nATOM 1654 CG1 VAL A 338 68.457 -9.096 51.401 1.00 -0.32 C \nATOM 1655 CG2 VAL A 338 69.914 -10.205 53.092 1.00 -0.32 C \nATOM 1656 HA VAL A 338 70.873 -7.911 52.045 1.00 0.10 H \nATOM 1657 HB VAL A 338 68.355 -8.806 53.531 1.00 -0.03 H \nATOM 1658 HG11 VAL A 338 69.225 -9.222 50.624 1.00 0.08 H \nATOM 1659 HG12 VAL A 338 67.797 -9.976 51.410 1.00 0.08 H \nATOM 1660 HG13 VAL A 338 67.864 -8.194 51.188 1.00 0.08 H \nATOM 1661 HG21 VAL A 338 70.376 -10.101 54.085 1.00 0.08 H \nATOM 1662 HG22 VAL A 338 69.235 -11.071 53.092 1.00 0.08 H \nATOM 1663 HG23 VAL A 338 70.699 -10.354 52.336 1.00 0.08 H \nATOM 1664 H VAL A 338 70.402 -8.161 54.843 1.00 0.27 H \nATOM 1665 N VAL A 339 68.623 -5.845 53.323 1.00 -0.42 N \nATOM 1666 CA VAL A 339 67.844 -4.676 52.962 1.00 -0.09 C \nATOM 1667 C VAL A 339 68.788 -3.546 52.558 1.00 0.60 C \nATOM 1668 O VAL A 339 68.550 -2.862 51.550 1.00 -0.57 O \nATOM 1669 CB VAL A 339 66.834 -4.263 54.060 1.00 0.30 C \nATOM 1670 CG1 VAL A 339 66.190 -2.922 53.705 1.00 -0.32 C \nATOM 1671 CG2 VAL A 339 65.730 -5.335 54.202 1.00 -0.32 C \nATOM 1672 HA VAL A 339 67.251 -4.939 52.074 1.00 0.10 H \nATOM 1673 HB VAL A 339 67.367 -4.165 55.017 1.00 -0.03 H \nATOM 1674 HG11 VAL A 339 65.670 -3.009 52.739 1.00 0.08 H \nATOM 1675 HG12 VAL A 339 65.467 -2.644 54.486 1.00 0.08 H \nATOM 1676 HG13 VAL A 339 66.969 -2.149 53.634 1.00 0.08 H \nATOM 1677 HG21 VAL A 339 66.187 -6.300 54.467 1.00 0.08 H \nATOM 1678 HG22 VAL A 339 65.026 -5.034 54.992 1.00 0.08 H \nATOM 1679 HG23 VAL A 339 65.191 -5.434 53.248 1.00 0.08 H \nATOM 1680 H VAL A 339 68.642 -6.175 54.267 1.00 0.27 H \nATOM 1681 N LEU A 340 69.875 -3.376 53.319 1.00 -0.42 N \nATOM 1682 CA LEU A 340 70.889 -2.359 53.004 1.00 -0.05 C \nATOM 1683 C LEU A 340 71.437 -2.552 51.587 1.00 0.60 C \nATOM 1684 O LEU A 340 71.602 -1.585 50.826 1.00 -0.57 O \nATOM 1685 CB LEU A 340 72.040 -2.378 54.021 1.00 -0.11 C \nATOM 1686 CG LEU A 340 71.692 -2.099 55.494 1.00 0.35 C \nATOM 1687 CD1 LEU A 340 72.995 -1.872 56.326 1.00 -0.41 C \nATOM 1688 CD2 LEU A 340 70.734 -0.902 55.652 1.00 -0.41 C \nATOM 1689 HA LEU A 340 70.405 -1.372 53.054 1.00 0.09 H \nATOM 1690 HB2 LEU A 340 72.504 -3.374 53.975 1.00 0.05 H \nATOM 1691 HB3 LEU A 340 72.771 -1.619 53.706 1.00 0.05 H \nATOM 1692 HG LEU A 340 71.183 -2.989 55.892 1.00 -0.04 H \nATOM 1693 HD21 LEU A 340 69.801 -1.104 55.105 1.00 0.10 H \nATOM 1694 HD22 LEU A 340 70.509 -0.751 56.718 1.00 0.10 H \nATOM 1695 HD23 LEU A 340 71.208 0.003 55.245 1.00 0.10 H \nATOM 1696 HD11 LEU A 340 73.550 -1.018 55.912 1.00 0.10 H \nATOM 1697 HD12 LEU A 340 72.730 -1.664 57.373 1.00 0.10 H \nATOM 1698 HD13 LEU A 340 73.622 -2.775 56.279 1.00 0.10 H \nATOM 1699 H LEU A 340 70.001 -3.956 54.124 1.00 0.27 H \nATOM 1700 N LEU A 341 71.695 -3.803 51.213 1.00 -0.42 N \nATOM 1701 CA LEU A 341 72.153 -4.075 49.849 1.00 -0.05 C \nATOM 1702 C LEU A 341 71.080 -3.668 48.831 1.00 0.60 C \nATOM 1703 O LEU A 341 71.374 -3.027 47.817 1.00 -0.57 O \nATOM 1704 CB LEU A 341 72.547 -5.544 49.690 1.00 -0.11 C \nATOM 1705 CG LEU A 341 73.925 -5.889 50.282 1.00 0.35 C \nATOM 1706 CD1 LEU A 341 74.227 -7.395 50.167 1.00 -0.41 C \nATOM 1707 CD2 LEU A 341 75.036 -5.058 49.608 1.00 -0.41 C \nATOM 1708 HA LEU A 341 73.048 -3.463 49.661 1.00 0.09 H \nATOM 1709 HB2 LEU A 341 71.789 -6.162 50.194 1.00 0.05 H \nATOM 1710 HB3 LEU A 341 72.562 -5.784 48.617 1.00 0.05 H \nATOM 1711 HG LEU A 341 73.907 -5.629 51.351 1.00 -0.04 H \nATOM 1712 HD21 LEU A 341 74.835 -3.987 49.758 1.00 0.10 H \nATOM 1713 HD22 LEU A 341 76.008 -5.315 50.054 1.00 0.10 H \nATOM 1714 HD23 LEU A 341 75.057 -5.280 48.531 1.00 0.10 H \nATOM 1715 HD11 LEU A 341 74.209 -7.693 49.108 1.00 0.10 H \nATOM 1716 HD12 LEU A 341 75.221 -7.603 50.589 1.00 0.10 H \nATOM 1717 HD13 LEU A 341 73.467 -7.965 50.721 1.00 0.10 H \nATOM 1718 H LEU A 341 71.576 -4.555 51.862 1.00 0.27 H \nATOM 1719 N TYR A 342 69.831 -4.022 49.129 1.00 -0.42 N \nATOM 1720 CA TYR A 342 68.706 -3.723 48.248 1.00 -0.00 C \nATOM 1721 C TYR A 342 68.560 -2.221 48.010 1.00 0.60 C \nATOM 1722 O TYR A 342 68.297 -1.793 46.898 1.00 -0.57 O \nATOM 1723 CB TYR A 342 67.416 -4.309 48.842 1.00 -0.02 C \nATOM 1724 CG TYR A 342 66.155 -4.031 48.066 1.00 -0.00 C \nATOM 1725 CD1 TYR A 342 66.110 -4.180 46.677 1.00 -0.19 C \nATOM 1726 CD2 TYR A 342 64.993 -3.657 48.722 1.00 -0.19 C \nATOM 1727 CE1 TYR A 342 64.935 -3.937 45.963 1.00 -0.23 C \nATOM 1728 CE2 TYR A 342 63.802 -3.418 48.019 1.00 -0.23 C \nATOM 1729 CZ TYR A 342 63.785 -3.557 46.647 1.00 0.32 C \nATOM 1730 OH TYR A 342 62.621 -3.315 45.966 1.00 -0.56 O \nATOM 1731 HA TYR A 342 68.892 -4.205 47.277 1.00 0.09 H \nATOM 1732 HB3 TYR A 342 67.539 -5.400 48.907 1.00 0.03 H \nATOM 1733 HB2 TYR A 342 67.290 -3.893 49.852 1.00 0.03 H \nATOM 1734 HD2 TYR A 342 65.004 -3.547 49.800 1.00 0.17 H \nATOM 1735 HE2 TYR A 342 62.903 -3.127 48.550 1.00 0.17 H \nATOM 1736 HE1 TYR A 342 64.919 -4.044 44.884 1.00 0.17 H \nATOM 1737 HD1 TYR A 342 67.002 -4.489 46.145 1.00 0.17 H \nATOM 1738 HH TYR A 342 62.764 -3.451 45.037 1.00 0.40 H \nATOM 1739 H TYR A 342 69.658 -4.509 49.985 1.00 0.27 H \nATOM 1740 N MET A 343 68.729 -1.432 49.067 1.00 -0.42 N \nATOM 1741 CA MET A 343 68.689 0.017 48.962 1.00 -0.02 C \nATOM 1742 C MET A 343 69.759 0.580 48.033 1.00 0.60 C \nATOM 1743 O MET A 343 69.489 1.486 47.228 1.00 -0.57 O \nATOM 1744 CB MET A 343 68.838 0.648 50.345 1.00 0.03 C \nATOM 1745 CG MET A 343 67.642 0.411 51.276 1.00 0.00 C \nATOM 1746 SD MET A 343 68.011 0.915 52.981 1.00 -0.27 S \nATOM 1747 CE MET A 343 66.342 0.964 53.634 1.00 -0.05 C \nATOM 1748 HA MET A 343 67.706 0.297 48.555 1.00 0.09 H \nATOM 1749 HB2 MET A 343 69.735 0.227 50.822 1.00 0.02 H \nATOM 1750 HB3 MET A 343 68.966 1.733 50.217 1.00 0.02 H \nATOM 1751 HG2 MET A 343 66.784 0.993 50.910 1.00 0.04 H \nATOM 1752 HG3 MET A 343 67.389 -0.660 51.267 1.00 0.04 H \nATOM 1753 HE1 MET A 343 65.880 -0.030 53.536 1.00 0.07 H \nATOM 1754 HE2 MET A 343 66.372 1.251 54.695 1.00 0.07 H \nATOM 1755 HE3 MET A 343 65.750 1.701 53.072 1.00 0.07 H \nATOM 1756 H MET A 343 68.889 -1.849 49.962 1.00 0.27 H \nATOM 1757 N ALA A 344 70.979 0.067 48.149 1.00 -0.42 N \nATOM 1758 CA ALA A 344 72.090 0.558 47.333 1.00 0.03 C \nATOM 1759 C ALA A 344 71.838 0.220 45.866 1.00 0.60 C \nATOM 1760 O ALA A 344 72.134 1.011 44.960 1.00 -0.57 O \nATOM 1761 CB ALA A 344 73.422 -0.066 47.807 1.00 -0.18 C \nATOM 1762 HA ALA A 344 72.154 1.651 47.440 1.00 0.08 H \nATOM 1763 HB1 ALA A 344 74.246 0.312 47.185 1.00 0.06 H \nATOM 1764 HB2 ALA A 344 73.601 0.206 48.858 1.00 0.06 H \nATOM 1765 HB3 ALA A 344 73.367 -1.161 47.716 1.00 0.06 H \nATOM 1766 H ALA A 344 71.141 -0.669 48.807 1.00 0.27 H \nATOM 1767 N THR A 345 71.277 -0.962 45.647 1.00 -0.42 N \nATOM 1768 CA THR A 345 70.991 -1.448 44.302 1.00 -0.04 C \nATOM 1769 C THR A 345 69.983 -0.533 43.584 1.00 0.60 C \nATOM 1770 O THR A 345 70.208 -0.120 42.441 1.00 -0.57 O \nATOM 1771 CB THR A 345 70.473 -2.893 44.390 1.00 0.37 C \nATOM 1772 OG1 THR A 345 71.480 -3.701 45.021 1.00 -0.68 O \nATOM 1773 CG2 THR A 345 70.144 -3.457 43.007 1.00 -0.24 C \nATOM 1774 HA THR A 345 71.926 -1.447 43.723 1.00 0.10 H \nATOM 1775 HB THR A 345 69.559 -2.908 45.003 1.00 0.00 H \nATOM 1776 HG1 THR A 345 71.174 -4.598 45.082 1.00 0.41 H \nATOM 1777 HG23 THR A 345 69.062 -3.376 42.826 1.00 0.06 H \nATOM 1778 HG21 THR A 345 70.688 -2.887 42.240 1.00 0.06 H \nATOM 1779 HG22 THR A 345 70.445 -4.514 42.961 1.00 0.06 H \nATOM 1780 H THR A 345 71.043 -1.539 46.430 1.00 0.27 H \nATOM 1781 N GLN A 346 68.900 -0.190 44.283 1.00 -0.42 N \nATOM 1782 CA GLN A 346 67.872 0.715 43.767 1.00 -0.00 C \nATOM 1783 C GLN A 346 68.421 2.102 43.461 1.00 0.60 C \nATOM 1784 O GLN A 346 68.186 2.656 42.378 1.00 -0.57 O \nATOM 1785 CB GLN A 346 66.731 0.850 44.775 1.00 -0.00 C \nATOM 1786 CG GLN A 346 65.929 -0.431 45.020 1.00 -0.06 C \nATOM 1787 CD GLN A 346 64.876 -0.233 46.096 1.00 0.70 C \nATOM 1788 OE1 GLN A 346 63.799 0.316 45.833 1.00 -0.61 O \nATOM 1789 NE2 GLN A 346 65.194 -0.655 47.328 1.00 -0.94 N \nATOM 1790 HA GLN A 346 67.474 0.285 42.836 1.00 0.09 H \nATOM 1791 HB2 GLN A 346 67.160 1.173 45.735 1.00 0.02 H \nATOM 1792 HB3 GLN A 346 66.039 1.621 44.405 1.00 0.02 H \nATOM 1793 HG2 GLN A 346 65.432 -0.726 44.084 1.00 0.04 H \nATOM 1794 HG3 GLN A 346 66.617 -1.228 45.337 1.00 0.04 H \nATOM 1795 HE22 GLN A 346 64.539 -0.551 48.077 1.00 0.43 H \nATOM 1796 HE21 GLN A 346 66.086 -1.074 47.498 1.00 0.43 H \nATOM 1797 H GLN A 346 68.785 -0.568 45.201 1.00 0.27 H \nATOM 1798 N ILE A 347 69.140 2.675 44.420 1.00 -0.42 N \nATOM 1799 CA ILE A 347 69.679 4.009 44.225 1.00 -0.06 C \nATOM 1800 C ILE A 347 70.645 4.005 43.042 1.00 0.60 C \nATOM 1801 O ILE A 347 70.533 4.850 42.143 1.00 -0.57 O \nATOM 1802 CB ILE A 347 70.400 4.528 45.506 1.00 0.13 C \nATOM 1803 CG1 ILE A 347 69.393 4.696 46.651 1.00 -0.04 C \nATOM 1804 CG2 ILE A 347 71.129 5.854 45.222 1.00 -0.32 C \nATOM 1805 CD1 ILE A 347 70.069 4.808 48.046 1.00 -0.07 C \nATOM 1806 HA ILE A 347 68.846 4.690 43.997 1.00 0.09 H \nATOM 1807 HB ILE A 347 71.148 3.781 45.809 1.00 0.02 H \nATOM 1808 HG12 ILE A 347 68.808 5.610 46.471 1.00 0.02 H \nATOM 1809 HG13 ILE A 347 68.721 3.825 46.657 1.00 0.02 H \nATOM 1810 HD11 ILE A 347 70.746 5.675 48.057 1.00 0.02 H \nATOM 1811 HD12 ILE A 347 69.297 4.936 48.819 1.00 0.02 H \nATOM 1812 HD13 ILE A 347 70.643 3.892 48.250 1.00 0.02 H \nATOM 1813 HG21 ILE A 347 70.402 6.607 44.884 1.00 0.09 H \nATOM 1814 HG22 ILE A 347 71.621 6.206 46.141 1.00 0.09 H \nATOM 1815 HG23 ILE A 347 71.885 5.696 44.439 1.00 0.09 H \nATOM 1816 H ILE A 347 69.310 2.187 45.276 1.00 0.27 H \nATOM 1817 N SER A 348 71.571 3.037 43.028 1.00 -0.42 N \nATOM 1818 CA SER A 348 72.551 2.966 41.944 1.00 -0.02 C \nATOM 1819 C SER A 348 71.872 2.708 40.602 1.00 0.60 C \nATOM 1820 O SER A 348 72.353 3.152 39.558 1.00 -0.57 O \nATOM 1821 CB SER A 348 73.615 1.900 42.208 1.00 0.21 C \nATOM 1822 OG SER A 348 73.030 0.609 42.242 1.00 -0.65 O \nATOM 1823 HA SER A 348 73.057 3.941 41.887 1.00 0.08 H \nATOM 1824 HB2 SER A 348 74.368 1.935 41.407 1.00 0.04 H \nATOM 1825 HB3 SER A 348 74.098 2.103 43.175 1.00 0.04 H \nATOM 1826 HG SER A 348 73.704 -0.040 42.407 1.00 0.43 H \nATOM 1827 H SER A 348 71.593 2.359 43.763 1.00 0.27 H \nATOM 1828 N SER A 349 70.762 1.983 40.625 1.00 -0.42 N \nATOM 1829 CA SER A 349 69.979 1.804 39.410 1.00 -0.02 C \nATOM 1830 C SER A 349 69.493 3.157 38.875 1.00 0.60 C \nATOM 1831 O SER A 349 69.588 3.444 37.664 1.00 -0.57 O \nATOM 1832 CB SER A 349 68.788 0.874 39.658 1.00 0.21 C \nATOM 1833 OG SER A 349 67.919 0.863 38.523 1.00 -0.65 O \nATOM 1834 HA SER A 349 70.625 1.342 38.649 1.00 0.08 H \nATOM 1835 HB2 SER A 349 69.157 -0.146 39.842 1.00 0.04 H \nATOM 1836 HB3 SER A 349 68.230 1.226 40.538 1.00 0.04 H \nATOM 1837 HG SER A 349 67.186 0.283 38.691 1.00 0.43 H \nATOM 1838 H SER A 349 70.462 1.558 41.479 1.00 0.27 H \nATOM 1839 N ALA A 350 68.979 3.989 39.776 1.00 -0.42 N \nATOM 1840 CA ALA A 350 68.492 5.298 39.367 1.00 0.03 C \nATOM 1841 C ALA A 350 69.662 6.148 38.821 1.00 0.60 C \nATOM 1842 O ALA A 350 69.539 6.802 37.775 1.00 -0.57 O \nATOM 1843 CB ALA A 350 67.817 5.994 40.545 1.00 -0.18 C \nATOM 1844 HA ALA A 350 67.750 5.166 38.566 1.00 0.08 H \nATOM 1845 HB1 ALA A 350 67.452 6.982 40.227 1.00 0.06 H \nATOM 1846 HB2 ALA A 350 66.970 5.385 40.894 1.00 0.06 H \nATOM 1847 HB3 ALA A 350 68.542 6.117 41.363 1.00 0.06 H \nATOM 1848 H ALA A 350 68.927 3.715 40.736 1.00 0.27 H \nATOM 1849 N MET A 351 70.799 6.126 39.521 1.00 -0.42 N \nATOM 1850 CA MET A 351 71.958 6.917 39.095 1.00 -0.02 C \nATOM 1851 C MET A 351 72.522 6.398 37.766 1.00 0.60 C \nATOM 1852 O MET A 351 72.941 7.177 36.904 1.00 -0.57 O \nATOM 1853 CB MET A 351 73.038 6.919 40.183 1.00 0.03 C \nATOM 1854 CG MET A 351 72.639 7.678 41.453 1.00 0.00 C \nATOM 1855 SD MET A 351 71.842 9.279 41.120 1.00 -0.27 S \nATOM 1856 CE MET A 351 73.214 10.239 40.411 1.00 -0.05 C \nATOM 1857 HA MET A 351 71.625 7.954 38.941 1.00 0.09 H \nATOM 1858 HB2 MET A 351 73.256 5.876 40.457 1.00 0.02 H \nATOM 1859 HB3 MET A 351 73.944 7.387 39.771 1.00 0.02 H \nATOM 1860 HG2 MET A 351 71.939 7.053 42.027 1.00 0.04 H \nATOM 1861 HG3 MET A 351 73.545 7.857 42.051 1.00 0.04 H \nATOM 1862 HE1 MET A 351 73.586 9.735 39.507 1.00 0.07 H \nATOM 1863 HE2 MET A 351 72.860 11.247 40.149 1.00 0.07 H \nATOM 1864 HE3 MET A 351 74.027 10.316 41.148 1.00 0.07 H \nATOM 1865 H MET A 351 70.861 5.563 40.345 1.00 0.27 H \nATOM 1866 N GLU A 352 72.532 5.082 37.581 1.00 -0.52 N \nATOM 1867 CA GLU A 352 72.977 4.562 36.294 1.00 0.04 C \nATOM 1868 C GLU A 352 72.098 5.121 35.167 1.00 0.54 C \nATOM 1869 O GLU A 352 72.597 5.466 34.099 1.00 -0.58 O \nATOM 1870 CB GLU A 352 72.977 3.033 36.247 1.00 0.06 C \nATOM 1871 CG GLU A 352 73.418 2.512 34.877 1.00 0.01 C \nATOM 1872 CD GLU A 352 73.274 1.016 34.738 1.00 0.81 C \nATOM 1873 OE1 GLU A 352 73.576 0.474 33.647 1.00 -0.82 O \nATOM 1874 OE2 GLU A 352 72.848 0.377 35.722 1.00 -0.82 O \nATOM 1875 HA GLU A 352 74.009 4.905 36.131 1.00 0.11 H \nATOM 1876 HB2 GLU A 352 73.668 2.652 37.013 1.00 -0.02 H \nATOM 1877 HB3 GLU A 352 71.960 2.669 36.457 1.00 -0.02 H \nATOM 1878 HG2 GLU A 352 72.803 2.996 34.104 1.00 -0.04 H \nATOM 1879 HG3 GLU A 352 74.475 2.778 34.725 1.00 -0.04 H \nATOM 1880 H GLU A 352 72.240 4.462 38.309 1.00 0.29 H \nATOM 1881 N TYR A 353 70.792 5.214 35.415 1.00 -0.42 N \nATOM 1882 CA TYR A 353 69.874 5.779 34.424 1.00 -0.00 C \nATOM 1883 C TYR A 353 70.187 7.258 34.146 1.00 0.60 C \nATOM 1884 O TYR A 353 70.240 7.679 33.001 1.00 -0.57 O \nATOM 1885 CB TYR A 353 68.420 5.588 34.879 1.00 -0.02 C \nATOM 1886 CG TYR A 353 67.392 6.440 34.167 1.00 -0.00 C \nATOM 1887 CD1 TYR A 353 66.785 6.006 32.991 1.00 -0.19 C \nATOM 1888 CD2 TYR A 353 66.988 7.662 34.700 1.00 -0.19 C \nATOM 1889 CE1 TYR A 353 65.822 6.788 32.343 1.00 -0.23 C \nATOM 1890 CE2 TYR A 353 66.023 8.443 34.062 1.00 -0.23 C \nATOM 1891 CZ TYR A 353 65.448 8.004 32.891 1.00 0.32 C \nATOM 1892 OH TYR A 353 64.496 8.788 32.280 1.00 -0.56 O \nATOM 1893 HA TYR A 353 70.010 5.226 33.483 1.00 0.09 H \nATOM 1894 HB3 TYR A 353 68.152 4.533 34.721 1.00 0.03 H \nATOM 1895 HB2 TYR A 353 68.368 5.823 35.952 1.00 0.03 H \nATOM 1896 HD2 TYR A 353 67.430 8.012 35.626 1.00 0.17 H \nATOM 1897 HE2 TYR A 353 65.727 9.395 34.488 1.00 0.17 H \nATOM 1898 HE1 TYR A 353 65.372 6.444 31.419 1.00 0.17 H \nATOM 1899 HD1 TYR A 353 67.063 5.046 32.571 1.00 0.17 H \nATOM 1900 HH TYR A 353 64.192 8.358 31.489 1.00 0.40 H \nATOM 1901 H TYR A 353 70.433 4.893 36.292 1.00 0.27 H \nATOM 1902 N LEU A 354 70.393 8.045 35.194 1.00 -0.42 N \nATOM 1903 CA LEU A 354 70.765 9.448 35.013 1.00 -0.05 C \nATOM 1904 C LEU A 354 72.084 9.576 34.230 1.00 0.60 C \nATOM 1905 O LEU A 354 72.171 10.333 33.256 1.00 -0.57 O \nATOM 1906 CB LEU A 354 70.837 10.168 36.375 1.00 -0.11 C \nATOM 1907 CG LEU A 354 69.463 10.339 37.080 1.00 0.35 C \nATOM 1908 CD1 LEU A 354 69.567 11.089 38.408 1.00 -0.41 C \nATOM 1909 CD2 LEU A 354 68.482 11.055 36.153 1.00 -0.41 C \nATOM 1910 HA LEU A 354 69.976 9.933 34.419 1.00 0.09 H \nATOM 1911 HB2 LEU A 354 71.495 9.587 37.038 1.00 0.05 H \nATOM 1912 HB3 LEU A 354 71.269 11.167 36.214 1.00 0.05 H \nATOM 1913 HG LEU A 354 69.068 9.335 37.292 1.00 -0.04 H \nATOM 1914 HD21 LEU A 354 68.354 10.468 35.231 1.00 0.10 H \nATOM 1915 HD22 LEU A 354 67.511 11.161 36.658 1.00 0.10 H \nATOM 1916 HD23 LEU A 354 68.875 12.051 35.902 1.00 0.10 H \nATOM 1917 HD11 LEU A 354 69.990 12.089 38.232 1.00 0.10 H \nATOM 1918 HD12 LEU A 354 68.566 11.188 38.853 1.00 0.10 H \nATOM 1919 HD13 LEU A 354 70.220 10.530 39.095 1.00 0.10 H \nATOM 1920 H LEU A 354 70.293 7.675 36.118 1.00 0.27 H \nATOM 1921 N GLU A 355 73.097 8.825 34.655 1.00 -0.52 N \nATOM 1922 CA GLU A 355 74.390 8.796 33.968 1.00 0.04 C \nATOM 1923 C GLU A 355 74.241 8.545 32.464 1.00 0.54 C \nATOM 1924 O GLU A 355 74.756 9.311 31.636 1.00 -0.58 O \nATOM 1925 CB GLU A 355 75.289 7.733 34.623 1.00 0.06 C \nATOM 1926 CG GLU A 355 76.520 7.308 33.817 1.00 0.01 C \nATOM 1927 CD GLU A 355 77.417 6.310 34.585 1.00 0.81 C \nATOM 1928 OE1 GLU A 355 77.387 5.094 34.242 1.00 -0.82 O \nATOM 1929 OE2 GLU A 355 78.144 6.739 35.532 1.00 -0.82 O \nATOM 1930 HA GLU A 355 74.867 9.779 34.097 1.00 0.11 H \nATOM 1931 HB2 GLU A 355 75.639 8.134 35.586 1.00 -0.02 H \nATOM 1932 HB3 GLU A 355 74.677 6.837 34.800 1.00 -0.02 H \nATOM 1933 HG2 GLU A 355 76.183 6.833 32.884 1.00 -0.04 H \nATOM 1934 HG3 GLU A 355 77.112 8.204 33.580 1.00 -0.04 H \nATOM 1935 H GLU A 355 72.971 8.261 35.471 1.00 0.29 H \nATOM 1936 N LYS A 356 73.527 7.482 32.104 1.00 -0.35 N \nATOM 1937 CA LYS A 356 73.268 7.170 30.696 1.00 -0.24 C \nATOM 1938 C LYS A 356 72.586 8.338 29.961 1.00 0.73 C \nATOM 1939 O LYS A 356 72.807 8.548 28.763 1.00 -0.59 O \nATOM 1940 CB LYS A 356 72.408 5.905 30.595 1.00 -0.01 C \nATOM 1941 CG LYS A 356 73.076 4.627 31.101 1.00 0.02 C \nATOM 1942 CD LYS A 356 72.152 3.389 30.969 1.00 -0.05 C \nATOM 1943 CE LYS A 356 72.805 2.108 31.524 1.00 -0.01 C \nATOM 1944 NZ LYS A 356 74.047 1.687 30.794 1.00 -0.39 N \nATOM 1945 HA LYS A 356 74.233 6.976 30.205 1.00 0.14 H \nATOM 1946 HB2 LYS A 356 71.492 6.067 31.183 1.00 0.04 H \nATOM 1947 HB3 LYS A 356 72.143 5.756 29.538 1.00 0.04 H \nATOM 1948 HG2 LYS A 356 73.990 4.450 30.516 1.00 0.01 H \nATOM 1949 HG3 LYS A 356 73.339 4.761 32.161 1.00 0.01 H \nATOM 1950 HD2 LYS A 356 71.222 3.581 31.525 1.00 0.06 H \nATOM 1951 HD3 LYS A 356 71.918 3.234 29.905 1.00 0.06 H \nATOM 1952 HE2 LYS A 356 73.066 2.282 32.578 1.00 0.11 H \nATOM 1953 HE3 LYS A 356 72.072 1.290 31.458 1.00 0.11 H \nATOM 1954 HZ1 LYS A 356 74.733 2.424 30.845 1.00 0.34 H \nATOM 1955 HZ2 LYS A 356 74.419 0.852 31.218 1.00 0.34 H \nATOM 1956 HZ3 LYS A 356 73.823 1.502 29.829 1.00 0.34 H \nATOM 1957 H LYS A 356 73.158 6.880 32.812 1.00 0.27 H \nATOM 1958 N LYS A 357 71.761 9.099 30.679 1.00 -0.35 N \nATOM 1959 CA LYS A 357 71.027 10.211 30.067 1.00 -0.24 C \nATOM 1960 C LYS A 357 71.821 11.514 30.077 1.00 0.73 C \nATOM 1961 O LYS A 357 71.358 12.539 29.575 1.00 -0.59 O \nATOM 1962 CB LYS A 357 69.672 10.414 30.754 1.00 -0.01 C \nATOM 1963 CG LYS A 357 68.578 9.489 30.235 1.00 0.02 C \nATOM 1964 CD LYS A 357 67.194 10.052 30.545 1.00 -0.05 C \nATOM 1965 CE LYS A 357 66.257 9.879 29.351 1.00 -0.01 C \nATOM 1966 NZ LYS A 357 65.580 11.163 28.989 1.00 -0.39 N \nATOM 1967 HA LYS A 357 70.838 9.944 29.017 1.00 0.14 H \nATOM 1968 HB2 LYS A 357 69.798 10.232 31.832 1.00 0.04 H \nATOM 1969 HB3 LYS A 357 69.353 11.454 30.592 1.00 0.04 H \nATOM 1970 HG2 LYS A 357 68.686 9.379 29.146 1.00 0.01 H \nATOM 1971 HG3 LYS A 357 68.682 8.505 30.715 1.00 0.01 H \nATOM 1972 HD2 LYS A 357 66.775 9.521 31.412 1.00 0.06 H \nATOM 1973 HD3 LYS A 357 67.285 11.123 30.780 1.00 0.06 H \nATOM 1974 HE2 LYS A 357 66.841 9.528 28.487 1.00 0.11 H \nATOM 1975 HE3 LYS A 357 65.491 9.131 29.604 1.00 0.11 H \nATOM 1976 HZ1 LYS A 357 66.275 11.856 28.759 1.00 0.34 H \nATOM 1977 HZ2 LYS A 357 64.979 11.013 28.194 1.00 0.34 H \nATOM 1978 HZ3 LYS A 357 65.030 11.485 29.770 1.00 0.34 H \nATOM 1979 H LYS A 357 71.640 8.908 31.653 1.00 0.27 H \nATOM 1980 N ASN A 358 73.019 11.462 30.654 1.00 -0.42 N \nATOM 1981 CA ASN A 358 73.857 12.646 30.804 1.00 0.01 C \nATOM 1982 C ASN A 358 73.275 13.731 31.717 1.00 0.60 C \nATOM 1983 O ASN A 358 73.471 14.940 31.483 1.00 -0.57 O \nATOM 1984 CB ASN A 358 74.260 13.235 29.444 1.00 -0.20 C \nATOM 1985 CG ASN A 358 75.756 13.485 29.353 1.00 0.71 C \nATOM 1986 OD1 ASN A 358 76.208 14.630 29.337 1.00 -0.59 O \nATOM 1987 ND2 ASN A 358 76.538 12.402 29.339 1.00 -0.92 N \nATOM 1988 HA ASN A 358 74.783 12.303 31.288 1.00 0.10 H \nATOM 1989 HB2 ASN A 358 73.969 12.530 28.651 1.00 0.08 H \nATOM 1990 HB3 ASN A 358 73.731 14.189 29.299 1.00 0.08 H \nATOM 1991 HD22 ASN A 358 77.531 12.503 29.280 1.00 0.42 H \nATOM 1992 HD21 ASN A 358 76.130 11.490 29.387 1.00 0.42 H \nATOM 1993 H ASN A 358 73.355 10.584 30.995 1.00 0.27 H \nATOM 1994 N PHE A 359 72.578 13.305 32.765 1.00 -0.42 N \nATOM 1995 CA PHE A 359 72.187 14.242 33.787 1.00 -0.00 C \nATOM 1996 C PHE A 359 73.165 14.172 34.942 1.00 0.60 C \nATOM 1997 O PHE A 359 73.933 13.210 35.070 1.00 -0.57 O \nATOM 1998 CB PHE A 359 70.809 13.850 34.322 1.00 -0.03 C \nATOM 1999 CG PHE A 359 69.666 14.417 33.532 1.00 0.01 C \nATOM 2000 CD1 PHE A 359 69.327 13.892 32.292 1.00 -0.13 C \nATOM 2001 CD2 PHE A 359 68.930 15.478 34.033 1.00 -0.13 C \nATOM 2002 CE1 PHE A 359 68.269 14.428 31.545 1.00 -0.17 C \nATOM 2003 CE2 PHE A 359 67.857 16.022 33.286 1.00 -0.17 C \nATOM 2004 CZ PHE A 359 67.541 15.495 32.049 1.00 -0.11 C \nATOM 2005 HA PHE A 359 72.161 15.260 33.372 1.00 0.10 H \nATOM 2006 HB2 PHE A 359 70.731 12.753 34.306 1.00 0.03 H \nATOM 2007 HB3 PHE A 359 70.725 14.209 35.359 1.00 0.03 H \nATOM 2008 HD2 PHE A 359 69.177 15.894 35.003 1.00 0.13 H \nATOM 2009 HE2 PHE A 359 67.284 16.851 33.685 1.00 0.14 H \nATOM 2010 HZ PHE A 359 66.725 15.915 31.473 1.00 0.13 H \nATOM 2011 HE1 PHE A 359 68.021 14.010 30.576 1.00 0.14 H \nATOM 2012 HD1 PHE A 359 69.889 13.054 31.895 1.00 0.13 H \nATOM 2013 H PHE A 359 72.327 12.340 32.844 1.00 0.27 H \nATOM 2014 N ILE A 360 73.066 15.149 35.836 1.00 -0.42 N \nATOM 2015 CA ILE A 360 73.760 15.097 37.118 1.00 -0.06 C \nATOM 2016 C ILE A 360 72.727 15.503 38.149 1.00 0.60 C \nATOM 2017 O ILE A 360 71.796 16.249 37.839 1.00 -0.57 O \nATOM 2018 CB ILE A 360 74.993 16.037 37.190 1.00 0.13 C \nATOM 2019 CG1 ILE A 360 74.634 17.434 36.675 1.00 -0.04 C \nATOM 2020 CG2 ILE A 360 76.174 15.459 36.392 1.00 -0.32 C \nATOM 2021 CD1 ILE A 360 75.691 18.485 36.989 1.00 -0.07 C \nATOM 2022 HA ILE A 360 74.097 14.067 37.309 1.00 0.09 H \nATOM 2023 HB ILE A 360 75.298 16.124 38.243 1.00 0.02 H \nATOM 2024 HG12 ILE A 360 74.508 17.381 35.584 1.00 0.02 H \nATOM 2025 HG13 ILE A 360 73.686 17.744 37.139 1.00 0.02 H \nATOM 2026 HD11 ILE A 360 76.647 18.191 36.532 1.00 0.02 H \nATOM 2027 HD12 ILE A 360 75.374 19.457 36.583 1.00 0.02 H \nATOM 2028 HD13 ILE A 360 75.815 18.566 38.079 1.00 0.02 H \nATOM 2029 HG21 ILE A 360 75.878 15.331 35.340 1.00 0.09 H \nATOM 2030 HG22 ILE A 360 77.029 16.148 36.451 1.00 0.09 H \nATOM 2031 HG23 ILE A 360 76.459 14.484 36.814 1.00 0.09 H \nATOM 2032 H ILE A 360 72.498 15.945 35.624 1.00 0.27 H \nATOM 2033 N HIS A 361 72.887 14.995 39.362 1.00 -0.42 N \nATOM 2034 CA HIS A 361 71.950 15.254 40.443 1.00 0.02 C \nATOM 2035 C HIS A 361 72.431 16.417 41.324 1.00 0.60 C \nATOM 2036 O HIS A 361 71.690 17.386 41.540 1.00 -0.57 O \nATOM 2037 CB HIS A 361 71.703 13.992 41.281 1.00 -0.05 C \nATOM 2038 CG HIS A 361 70.622 14.168 42.296 1.00 -0.03 C \nATOM 2039 ND1 HIS A 361 70.807 14.874 43.466 1.00 -0.38 N \nATOM 2040 CD2 HIS A 361 69.324 13.773 42.293 1.00 0.13 C \nATOM 2041 CE1 HIS A 361 69.677 14.881 44.157 1.00 0.21 C \nATOM 2042 NE2 HIS A 361 68.765 14.224 43.468 1.00 -0.57 N \nATOM 2043 HA HIS A 361 70.991 15.549 39.992 1.00 0.09 H \nATOM 2044 HB2 HIS A 361 71.419 13.172 40.605 1.00 0.04 H \nATOM 2045 HB3 HIS A 361 72.635 13.730 41.803 1.00 0.04 H \nATOM 2046 HD2 HIS A 361 68.820 13.207 41.511 1.00 0.11 H \nATOM 2047 HE1 HIS A 361 69.527 15.350 45.129 1.00 0.14 H \nATOM 2048 HD1 HIS A 361 71.686 15.325 43.757 1.00 0.36 H \nATOM 2049 H HIS A 361 73.680 14.413 39.540 1.00 0.27 H \nATOM 2050 N ARG A 362 73.620 16.265 41.894 1.00 -0.35 N \nATOM 2051 CA ARG A 362 74.312 17.329 42.612 1.00 -0.26 C \nATOM 2052 C ARG A 362 73.890 17.499 44.068 1.00 0.73 C \nATOM 2053 O ARG A 362 74.474 18.295 44.795 1.00 -0.59 O \nATOM 2054 CB ARG A 362 74.141 18.655 41.876 1.00 -0.00 C \nATOM 2055 CG ARG A 362 75.003 18.781 40.637 1.00 0.04 C \nATOM 2056 CD ARG A 362 75.410 20.221 40.410 1.00 0.05 C \nATOM 2057 NE ARG A 362 74.300 21.019 39.911 1.00 -0.53 N \nATOM 2058 CZ ARG A 362 74.148 22.314 40.151 1.00 0.81 C \nATOM 2059 NH1 ARG A 362 75.038 22.960 40.886 1.00 -0.86 N \nATOM 2060 NH2 ARG A 362 73.107 22.962 39.656 1.00 -0.86 N \nATOM 2061 HA ARG A 362 75.382 17.074 42.612 1.00 0.16 H \nATOM 2062 HB2 ARG A 362 73.087 18.752 41.577 1.00 0.03 H \nATOM 2063 HB3 ARG A 362 74.403 19.471 42.566 1.00 0.03 H \nATOM 2064 HG2 ARG A 362 75.907 18.166 40.762 1.00 0.03 H \nATOM 2065 HG3 ARG A 362 74.435 18.425 39.765 1.00 0.03 H \nATOM 2066 HD2 ARG A 362 75.757 20.648 41.362 1.00 0.07 H \nATOM 2067 HD3 ARG A 362 76.228 20.249 39.676 1.00 0.07 H \nATOM 2068 HE ARG A 362 73.588 20.548 39.335 1.00 0.35 H \nATOM 2069 HH12 ARG A 362 74.919 23.966 41.072 1.00 0.45 H \nATOM 2070 HH11 ARG A 362 75.850 22.457 41.272 1.00 0.45 H \nATOM 2071 HH22 ARG A 362 72.990 23.968 39.843 1.00 0.45 H \nATOM 2072 HH21 ARG A 362 72.413 22.461 39.083 1.00 0.45 H \nATOM 2073 H ARG A 362 74.066 15.372 41.827 1.00 0.27 H \nATOM 2074 N ASP A 363 72.877 16.755 44.493 1.00 -0.52 N \nATOM 2075 CA ASP A 363 72.462 16.775 45.890 1.00 0.04 C \nATOM 2076 C ASP A 363 72.287 15.386 46.486 1.00 0.54 C \nATOM 2077 O ASP A 363 71.496 15.200 47.400 1.00 -0.58 O \nATOM 2078 CB ASP A 363 71.203 17.617 46.094 1.00 -0.03 C \nATOM 2079 CG ASP A 363 71.240 18.407 47.387 1.00 0.80 C \nATOM 2080 OD1 ASP A 363 72.212 18.250 48.153 1.00 -0.80 O \nATOM 2081 OD2 ASP A 363 70.298 19.183 47.640 1.00 -0.80 O \nATOM 2082 HA ASP A 363 73.272 17.262 46.452 1.00 0.09 H \nATOM 2083 HB2 ASP A 363 71.108 18.320 45.253 1.00 -0.01 H \nATOM 2084 HB3 ASP A 363 70.330 16.948 46.113 1.00 -0.01 H \nATOM 2085 H ASP A 363 72.390 16.171 43.844 1.00 0.29 H \nATOM 2086 N LEU A 364 73.003 14.405 45.960 1.00 -0.42 N \nATOM 2087 CA LEU A 364 72.799 13.047 46.419 1.00 -0.05 C \nATOM 2088 C LEU A 364 73.116 12.943 47.904 1.00 0.60 C \nATOM 2089 O LEU A 364 74.157 13.404 48.359 1.00 -0.57 O \nATOM 2090 CB LEU A 364 73.698 12.097 45.635 1.00 -0.11 C \nATOM 2091 CG LEU A 364 73.090 10.792 45.137 1.00 0.35 C \nATOM 2092 CD1 LEU A 364 71.772 11.053 44.432 1.00 -0.41 C \nATOM 2093 CD2 LEU A 364 74.066 10.091 44.210 1.00 -0.41 C \nATOM 2094 HA LEU A 364 71.748 12.767 46.255 1.00 0.09 H \nATOM 2095 HB2 LEU A 364 74.065 12.645 44.755 1.00 0.05 H \nATOM 2096 HB3 LEU A 364 74.546 11.837 46.285 1.00 0.05 H \nATOM 2097 HG LEU A 364 72.899 10.141 46.002 1.00 -0.04 H \nATOM 2098 HD21 LEU A 364 75.001 9.883 44.751 1.00 0.10 H \nATOM 2099 HD22 LEU A 364 73.626 9.145 43.862 1.00 0.10 H \nATOM 2100 HD23 LEU A 364 74.278 10.737 43.345 1.00 0.10 H \nATOM 2101 HD11 LEU A 364 71.940 11.727 43.579 1.00 0.10 H \nATOM 2102 HD12 LEU A 364 71.354 10.101 44.071 1.00 0.10 H \nATOM 2103 HD13 LEU A 364 71.066 11.520 45.135 1.00 0.10 H \nATOM 2104 H LEU A 364 73.680 14.600 45.251 1.00 0.27 H \nATOM 2105 N ALA A 365 72.214 12.311 48.646 1.00 -0.42 N \nATOM 2106 CA ALA A 365 72.405 12.056 50.079 1.00 0.03 C \nATOM 2107 C ALA A 365 71.151 11.389 50.655 1.00 0.60 C \nATOM 2108 O ALA A 365 70.080 11.430 50.043 1.00 -0.57 O \nATOM 2109 CB ALA A 365 72.706 13.358 50.823 1.00 -0.18 C \nATOM 2110 HA ALA A 365 73.259 11.374 50.206 1.00 0.08 H \nATOM 2111 HB1 ALA A 365 72.845 13.145 51.893 1.00 0.06 H \nATOM 2112 HB2 ALA A 365 73.623 13.809 50.416 1.00 0.06 H \nATOM 2113 HB3 ALA A 365 71.866 14.056 50.695 1.00 0.06 H \nATOM 2114 H ALA A 365 71.370 11.996 48.211 1.00 0.27 H \nATOM 2115 N ALA A 366 71.294 10.799 51.837 1.00 -0.42 N \nATOM 2116 CA ALA A 366 70.223 10.044 52.468 1.00 0.03 C \nATOM 2117 C ALA A 366 69.009 10.937 52.736 1.00 0.60 C \nATOM 2118 O ALA A 366 67.874 10.515 52.544 1.00 -0.57 O \nATOM 2119 CB ALA A 366 70.719 9.348 53.770 1.00 -0.18 C \nATOM 2120 HA ALA A 366 69.910 9.256 51.767 1.00 0.08 H \nATOM 2121 HB1 ALA A 366 69.890 8.786 54.224 1.00 0.06 H \nATOM 2122 HB2 ALA A 366 71.540 8.658 53.527 1.00 0.06 H \nATOM 2123 HB3 ALA A 366 71.078 10.109 54.479 1.00 0.06 H \nATOM 2124 H ALA A 366 72.171 10.877 52.311 1.00 0.27 H \nATOM 2125 N ARG A 367 69.257 12.183 53.131 1.00 -0.35 N \nATOM 2126 CA ARG A 367 68.177 13.124 53.419 1.00 -0.26 C \nATOM 2127 C ARG A 367 67.339 13.433 52.166 1.00 0.73 C \nATOM 2128 O ARG A 367 66.213 13.924 52.277 1.00 -0.59 O \nATOM 2129 CB ARG A 367 68.751 14.433 53.994 1.00 -0.00 C \nATOM 2130 CG ARG A 367 69.587 15.260 52.977 1.00 0.04 C \nATOM 2131 CD ARG A 367 70.236 16.521 53.587 1.00 0.05 C \nATOM 2132 NE ARG A 367 71.243 17.058 52.664 1.00 -0.53 N \nATOM 2133 CZ ARG A 367 72.548 16.775 52.705 1.00 0.81 C \nATOM 2134 NH1 ARG A 367 73.044 15.992 53.660 1.00 -0.86 N \nATOM 2135 NH2 ARG A 367 73.369 17.296 51.795 1.00 -0.86 N \nATOM 2136 HA ARG A 367 67.517 12.669 54.172 1.00 0.16 H \nATOM 2137 HB2 ARG A 367 67.913 15.056 54.339 1.00 0.03 H \nATOM 2138 HB3 ARG A 367 69.397 14.181 54.848 1.00 0.03 H \nATOM 2139 HG2 ARG A 367 70.385 14.616 52.579 1.00 0.03 H \nATOM 2140 HG3 ARG A 367 68.925 15.573 52.156 1.00 0.03 H \nATOM 2141 HD2 ARG A 367 69.461 17.281 53.764 1.00 0.07 H \nATOM 2142 HD3 ARG A 367 70.718 16.259 54.541 1.00 0.07 H \nATOM 2143 HE ARG A 367 70.919 17.702 51.929 1.00 0.35 H \nATOM 2144 HH12 ARG A 367 74.052 15.781 53.681 1.00 0.45 H \nATOM 2145 HH11 ARG A 367 72.420 15.597 54.378 1.00 0.45 H \nATOM 2146 HH22 ARG A 367 74.375 17.079 51.825 1.00 0.45 H \nATOM 2147 HH21 ARG A 367 72.998 17.916 51.061 1.00 0.45 H \nATOM 2148 H ARG A 367 70.206 12.483 53.233 1.00 0.27 H \nATOM 2149 N ASN A 368 67.932 13.213 50.991 1.00 -0.42 N \nATOM 2150 CA ASN A 368 67.277 13.442 49.693 1.00 0.01 C \nATOM 2151 C ASN A 368 66.723 12.202 48.988 1.00 0.60 C \nATOM 2152 O ASN A 368 66.352 12.265 47.814 1.00 -0.57 O \nATOM 2153 CB ASN A 368 68.141 14.295 48.762 1.00 -0.20 C \nATOM 2154 CG ASN A 368 68.408 15.660 49.340 1.00 0.71 C \nATOM 2155 OD1 ASN A 368 67.507 16.277 49.922 1.00 -0.59 O \nATOM 2156 ND2 ASN A 368 69.664 16.136 49.219 1.00 -0.92 N \nATOM 2157 HA ASN A 368 66.393 14.054 49.925 1.00 0.10 H \nATOM 2158 HB2 ASN A 368 69.101 13.783 48.599 1.00 0.08 H \nATOM 2159 HB3 ASN A 368 67.620 14.411 47.800 1.00 0.08 H \nATOM 2160 HD22 ASN A 368 69.895 17.037 49.586 1.00 0.42 H \nATOM 2161 HD21 ASN A 368 70.365 15.588 48.763 1.00 0.42 H \nATOM 2162 H ASN A 368 68.873 12.874 50.992 1.00 0.27 H \nATOM 2163 N CYS A 369 66.754 11.070 49.681 1.00 -0.42 N \nATOM 2164 CA CYS A 369 66.114 9.850 49.208 1.00 0.02 C \nATOM 2165 C CYS A 369 64.854 9.626 50.023 1.00 0.60 C \nATOM 2166 O CYS A 369 64.791 9.972 51.210 1.00 -0.57 O \nATOM 2167 CB CYS A 369 67.052 8.653 49.334 1.00 -0.12 C \nATOM 2168 SG CYS A 369 68.580 8.803 48.319 1.00 -0.31 S \nATOM 2169 HA CYS A 369 65.842 9.974 48.149 1.00 0.11 H \nATOM 2170 HB2 CYS A 369 67.344 8.550 50.389 1.00 0.11 H \nATOM 2171 HB3 CYS A 369 66.510 7.751 49.014 1.00 0.11 H \nATOM 2172 HG CYS A 369 69.151 7.983 48.449 1.00 0.19 H \nATOM 2173 H CYS A 369 67.234 11.054 50.558 1.00 0.27 H \nATOM 2174 N LEU A 370 63.843 9.052 49.380 1.00 -0.42 N \nATOM 2175 CA LEU A 370 62.550 8.858 50.013 1.00 -0.05 C \nATOM 2176 C LEU A 370 62.219 7.364 50.026 1.00 0.60 C \nATOM 2177 O LEU A 370 62.658 6.610 49.144 1.00 -0.57 O \nATOM 2178 CB LEU A 370 61.478 9.643 49.261 1.00 -0.11 C \nATOM 2179 CG LEU A 370 61.579 11.153 49.446 1.00 0.35 C \nATOM 2180 CD1 LEU A 370 60.557 11.897 48.537 1.00 -0.41 C \nATOM 2181 CD2 LEU A 370 61.385 11.541 50.917 1.00 -0.41 C \nATOM 2182 HA LEU A 370 62.597 9.224 51.049 1.00 0.09 H \nATOM 2183 HB2 LEU A 370 61.571 9.418 48.188 1.00 0.05 H \nATOM 2184 HB3 LEU A 370 60.491 9.315 49.620 1.00 0.05 H \nATOM 2185 HG LEU A 370 62.590 11.464 49.144 1.00 -0.04 H \nATOM 2186 HD21 LEU A 370 62.155 11.050 51.530 1.00 0.10 H \nATOM 2187 HD22 LEU A 370 61.473 12.632 51.023 1.00 0.10 H \nATOM 2188 HD23 LEU A 370 60.388 11.219 51.253 1.00 0.10 H \nATOM 2189 HD11 LEU A 370 59.537 11.570 48.788 1.00 0.10 H \nATOM 2190 HD12 LEU A 370 60.645 12.982 48.698 1.00 0.10 H \nATOM 2191 HD13 LEU A 370 60.767 11.665 47.483 1.00 0.10 H \nATOM 2192 H LEU A 370 63.975 8.746 48.437 1.00 0.27 H \nATOM 2193 N VAL A 371 61.453 6.931 51.022 1.00 -0.42 N \nATOM 2194 CA VAL A 371 61.257 5.505 51.235 1.00 -0.09 C \nATOM 2195 C VAL A 371 59.767 5.137 51.129 1.00 0.60 C \nATOM 2196 O VAL A 371 58.892 5.819 51.687 1.00 -0.57 O \nATOM 2197 CB VAL A 371 61.768 5.089 52.616 1.00 0.30 C \nATOM 2198 CG1 VAL A 371 61.540 3.592 52.842 1.00 -0.32 C \nATOM 2199 CG2 VAL A 371 63.218 5.492 52.779 1.00 -0.32 C \nATOM 2200 HA VAL A 371 61.817 4.955 50.465 1.00 0.10 H \nATOM 2201 HB VAL A 371 61.184 5.632 53.374 1.00 -0.03 H \nATOM 2202 HG11 VAL A 371 62.071 3.019 52.067 1.00 0.08 H \nATOM 2203 HG12 VAL A 371 61.922 3.309 53.834 1.00 0.08 H \nATOM 2204 HG13 VAL A 371 60.463 3.373 52.787 1.00 0.08 H \nATOM 2205 HG21 VAL A 371 63.311 6.582 52.664 1.00 0.08 H \nATOM 2206 HG22 VAL A 371 63.570 5.197 53.778 1.00 0.08 H \nATOM 2207 HG23 VAL A 371 63.827 4.990 52.013 1.00 0.08 H \nATOM 2208 H VAL A 371 61.008 7.590 51.629 1.00 0.27 H \nATOM 2209 N GLY A 372 59.479 4.084 50.370 1.00 -0.42 N \nATOM 2210 CA GLY A 372 58.114 3.617 50.211 1.00 -0.03 C \nATOM 2211 C GLY A 372 57.942 2.299 50.935 1.00 0.60 C \nATOM 2212 O GLY A 372 58.802 1.866 51.724 1.00 -0.57 O \nATOM 2213 HA3 GLY A 372 57.421 4.360 50.633 1.00 0.07 H \nATOM 2214 HA2 GLY A 372 57.896 3.479 49.142 1.00 0.07 H \nATOM 2215 H GLY A 372 60.219 3.604 49.899 1.00 0.27 H \nATOM 2216 N GLU A 373 56.835 1.635 50.639 1.00 -0.52 N \nATOM 2217 CA GLU A 373 56.516 0.387 51.290 1.00 0.04 C \nATOM 2218 C GLU A 373 57.549 -0.659 50.891 1.00 0.54 C \nATOM 2219 O GLU A 373 58.054 -0.657 49.762 1.00 -0.58 O \nATOM 2220 CB GLU A 373 55.098 -0.061 50.896 1.00 0.06 C \nATOM 2221 CG GLU A 373 54.041 1.071 51.005 1.00 0.01 C \nATOM 2222 CD GLU A 373 54.157 2.115 49.865 1.00 0.81 C \nATOM 2223 OE1 GLU A 373 53.735 3.274 50.069 1.00 -0.82 O \nATOM 2224 OE2 GLU A 373 54.658 1.777 48.765 1.00 -0.82 O \nATOM 2225 HA GLU A 373 56.553 0.528 52.380 1.00 0.11 H \nATOM 2226 HB2 GLU A 373 55.121 -0.417 49.856 1.00 -0.02 H \nATOM 2227 HB3 GLU A 373 54.796 -0.885 51.559 1.00 -0.02 H \nATOM 2228 HG2 GLU A 373 53.038 0.620 50.968 1.00 -0.04 H \nATOM 2229 HG3 GLU A 373 54.176 1.586 51.968 1.00 -0.04 H \nATOM 2230 H GLU A 373 56.209 2.005 49.952 1.00 0.29 H \nATOM 2231 N ASN A 374 57.866 -1.544 51.827 1.00 -0.42 N \nATOM 2232 CA ASN A 374 58.786 -2.645 51.564 1.00 0.01 C \nATOM 2233 C ASN A 374 60.156 -2.188 51.113 1.00 0.60 C \nATOM 2234 O ASN A 374 60.759 -2.776 50.207 1.00 -0.57 O \nATOM 2235 CB ASN A 374 58.166 -3.589 50.548 1.00 -0.20 C \nATOM 2236 CG ASN A 374 56.748 -3.950 50.921 1.00 0.71 C \nATOM 2237 OD1 ASN A 374 55.789 -3.293 50.493 1.00 -0.59 O \nATOM 2238 ND2 ASN A 374 56.604 -4.973 51.759 1.00 -0.92 N \nATOM 2239 HA ASN A 374 58.920 -3.198 52.505 1.00 0.10 H \nATOM 2240 HB2 ASN A 374 58.163 -3.101 49.562 1.00 0.08 H \nATOM 2241 HB3 ASN A 374 58.768 -4.508 50.500 1.00 0.08 H \nATOM 2242 HD22 ASN A 374 55.690 -5.261 52.044 1.00 0.42 H \nATOM 2243 HD21 ASN A 374 57.410 -5.454 52.104 1.00 0.42 H \nATOM 2244 H ASN A 374 57.463 -1.454 52.738 1.00 0.27 H \nATOM 2245 N HIS A 375 60.629 -1.117 51.743 1.00 -0.42 N \nATOM 2246 CA HIS A 375 61.990 -0.621 51.515 1.00 0.02 C \nATOM 2247 C HIS A 375 62.207 -0.179 50.080 1.00 0.60 C \nATOM 2248 O HIS A 375 63.350 -0.141 49.613 1.00 -0.57 O \nATOM 2249 CB HIS A 375 63.018 -1.690 51.856 1.00 -0.05 C \nATOM 2250 CG HIS A 375 62.641 -2.517 53.048 1.00 -0.03 C \nATOM 2251 ND1 HIS A 375 62.534 -1.990 54.313 1.00 -0.38 N \nATOM 2252 CD2 HIS A 375 62.335 -3.830 53.151 1.00 0.13 C \nATOM 2253 CE1 HIS A 375 62.173 -2.942 55.160 1.00 0.21 C \nATOM 2254 NE2 HIS A 375 62.048 -4.070 54.479 1.00 -0.57 N \nATOM 2255 HA HIS A 375 62.151 0.246 52.173 1.00 0.09 H \nATOM 2256 HB2 HIS A 375 63.128 -2.358 50.989 1.00 0.04 H \nATOM 2257 HB3 HIS A 375 63.979 -1.197 52.063 1.00 0.04 H \nATOM 2258 HD2 HIS A 375 62.318 -4.558 52.341 1.00 0.11 H \nATOM 2259 HE1 HIS A 375 62.008 -2.818 56.229 1.00 0.14 H \nATOM 2260 HD1 HIS A 375 62.708 -1.006 54.564 1.00 0.36 H \nATOM 2261 H HIS A 375 60.039 -0.636 52.391 1.00 0.27 H \nATOM 2262 N LEU A 376 61.127 0.171 49.376 1.00 -0.42 N \nATOM 2263 CA LEU A 376 61.287 0.876 48.099 1.00 -0.05 C \nATOM 2264 C LEU A 376 62.024 2.189 48.375 1.00 0.60 C \nATOM 2265 O LEU A 376 61.651 2.944 49.286 1.00 -0.57 O \nATOM 2266 CB LEU A 376 59.931 1.184 47.482 1.00 -0.11 C \nATOM 2267 CG LEU A 376 59.908 2.040 46.216 1.00 0.35 C \nATOM 2268 CD1 LEU A 376 60.661 1.366 45.075 1.00 -0.41 C \nATOM 2269 CD2 LEU A 376 58.437 2.277 45.812 1.00 -0.41 C \nATOM 2270 HA LEU A 376 61.872 0.256 47.404 1.00 0.09 H \nATOM 2271 HB2 LEU A 376 59.454 0.223 47.238 1.00 0.05 H \nATOM 2272 HB3 LEU A 376 59.334 1.707 48.244 1.00 0.05 H \nATOM 2273 HG LEU A 376 60.386 3.008 46.430 1.00 -0.04 H \nATOM 2274 HD21 LEU A 376 57.910 2.788 46.631 1.00 0.10 H \nATOM 2275 HD22 LEU A 376 58.401 2.901 44.907 1.00 0.10 H \nATOM 2276 HD23 LEU A 376 57.952 1.311 45.610 1.00 0.10 H \nATOM 2277 HD11 LEU A 376 60.199 0.392 44.856 1.00 0.10 H \nATOM 2278 HD12 LEU A 376 60.616 2.003 44.179 1.00 0.10 H \nATOM 2279 HD13 LEU A 376 61.711 1.217 45.366 1.00 0.10 H \nATOM 2280 H LEU A 376 60.213 -0.047 49.718 1.00 0.27 H \nATOM 2281 N VAL A 377 63.072 2.467 47.607 1.00 -0.42 N \nATOM 2282 CA VAL A 377 63.788 3.738 47.758 1.00 -0.09 C \nATOM 2283 C VAL A 377 63.847 4.536 46.455 1.00 0.60 C \nATOM 2284 O VAL A 377 64.126 3.974 45.390 1.00 -0.57 O \nATOM 2285 CB VAL A 377 65.225 3.510 48.301 1.00 0.30 C \nATOM 2286 CG1 VAL A 377 65.998 4.820 48.344 1.00 -0.32 C \nATOM 2287 CG2 VAL A 377 65.166 2.888 49.706 1.00 -0.32 C \nATOM 2288 HA VAL A 377 63.238 4.341 48.495 1.00 0.10 H \nATOM 2289 HB VAL A 377 65.749 2.815 47.628 1.00 -0.03 H \nATOM 2290 HG11 VAL A 377 65.473 5.535 48.994 1.00 0.08 H \nATOM 2291 HG12 VAL A 377 67.008 4.637 48.741 1.00 0.08 H \nATOM 2292 HG13 VAL A 377 66.073 5.235 47.328 1.00 0.08 H \nATOM 2293 HG21 VAL A 377 64.632 1.928 49.660 1.00 0.08 H \nATOM 2294 HG22 VAL A 377 66.188 2.721 50.077 1.00 0.08 H \nATOM 2295 HG23 VAL A 377 64.636 3.570 50.387 1.00 0.08 H \nATOM 2296 H VAL A 377 63.375 1.805 46.921 1.00 0.27 H \nATOM 2297 N LYS A 378 63.560 5.833 46.527 1.00 -0.35 N \nATOM 2298 CA LYS A 378 63.700 6.699 45.345 1.00 -0.24 C \nATOM 2299 C LYS A 378 64.526 7.951 45.651 1.00 0.73 C \nATOM 2300 O LYS A 378 64.372 8.569 46.712 1.00 -0.59 O \nATOM 2301 CB LYS A 378 62.333 7.136 44.787 1.00 -0.01 C \nATOM 2302 CG LYS A 378 61.258 6.035 44.751 1.00 0.02 C \nATOM 2303 CD LYS A 378 60.101 6.384 43.807 1.00 -0.05 C \nATOM 2304 CE LYS A 378 59.085 5.239 43.736 1.00 -0.01 C \nATOM 2305 NZ LYS A 378 58.231 5.311 42.491 1.00 -0.39 N \nATOM 2306 HA LYS A 378 64.222 6.122 44.568 1.00 0.14 H \nATOM 2307 HB2 LYS A 378 61.957 7.959 45.413 1.00 0.04 H \nATOM 2308 HB3 LYS A 378 62.485 7.497 43.759 1.00 0.04 H \nATOM 2309 HG2 LYS A 378 61.722 5.098 44.410 1.00 0.01 H \nATOM 2310 HG3 LYS A 378 60.857 5.898 45.766 1.00 0.01 H \nATOM 2311 HD2 LYS A 378 59.597 7.290 44.175 1.00 0.06 H \nATOM 2312 HD3 LYS A 378 60.502 6.572 42.800 1.00 0.06 H \nATOM 2313 HE2 LYS A 378 59.628 4.282 43.738 1.00 0.11 H \nATOM 2314 HE3 LYS A 378 58.430 5.291 44.618 1.00 0.11 H \nATOM 2315 HZ1 LYS A 378 58.822 5.267 41.675 1.00 0.34 H \nATOM 2316 HZ2 LYS A 378 57.586 4.537 42.481 1.00 0.34 H \nATOM 2317 HZ3 LYS A 378 57.716 6.177 42.487 1.00 0.34 H \nATOM 2318 H LYS A 378 63.246 6.223 47.392 1.00 0.27 H \nATOM 2319 N VAL A 379 65.383 8.322 44.708 1.00 -0.42 N \nATOM 2320 CA VAL A 379 66.058 9.605 44.760 1.00 -0.09 C \nATOM 2321 C VAL A 379 65.065 10.726 44.448 1.00 0.60 C \nATOM 2322 O VAL A 379 64.242 10.623 43.525 1.00 -0.57 O \nATOM 2323 CB VAL A 379 67.220 9.649 43.753 1.00 0.30 C \nATOM 2324 CG1 VAL A 379 67.971 10.998 43.836 1.00 -0.32 C \nATOM 2325 CG2 VAL A 379 68.155 8.470 44.002 1.00 -0.32 C \nATOM 2326 HA VAL A 379 66.460 9.754 45.773 1.00 0.10 H \nATOM 2327 HB VAL A 379 66.805 9.552 42.739 1.00 -0.03 H \nATOM 2328 HG11 VAL A 379 68.368 11.135 44.853 1.00 0.08 H \nATOM 2329 HG12 VAL A 379 68.802 11.000 43.115 1.00 0.08 H \nATOM 2330 HG13 VAL A 379 67.278 11.819 43.599 1.00 0.08 H \nATOM 2331 HG21 VAL A 379 67.597 7.529 43.889 1.00 0.08 H \nATOM 2332 HG22 VAL A 379 68.980 8.496 43.275 1.00 0.08 H \nATOM 2333 HG23 VAL A 379 68.563 8.534 45.022 1.00 0.08 H \nATOM 2334 H VAL A 379 65.568 7.703 43.944 1.00 0.27 H \nATOM 2335 N ALA A 380 65.151 11.791 45.231 1.00 -0.42 N \nATOM 2336 CA ALA A 380 64.276 12.956 45.078 1.00 0.03 C \nATOM 2337 C ALA A 380 65.075 14.264 44.936 1.00 0.60 C \nATOM 2338 O ALA A 380 66.310 14.250 44.750 1.00 -0.57 O \nATOM 2339 CB ALA A 380 63.356 13.062 46.260 1.00 -0.18 C \nATOM 2340 HA ALA A 380 63.672 12.817 44.169 1.00 0.08 H \nATOM 2341 HB1 ALA A 380 62.702 13.938 46.138 1.00 0.06 H \nATOM 2342 HB2 ALA A 380 62.741 12.153 46.329 1.00 0.06 H \nATOM 2343 HB3 ALA A 380 63.951 13.173 47.179 1.00 0.06 H \nATOM 2344 H ALA A 380 65.841 11.800 45.955 1.00 0.27 H \nATOM 2345 N ASP A 381 64.351 15.381 45.015 1.00 -0.52 N \nATOM 2346 CA ASP A 381 64.949 16.722 45.065 1.00 0.04 C \nATOM 2347 C ASP A 381 65.849 17.034 43.875 1.00 0.54 C \nATOM 2348 O ASP A 381 67.100 17.044 43.975 1.00 -0.58 O \nATOM 2349 CB ASP A 381 65.699 16.989 46.376 1.00 -0.03 C \nATOM 2350 CG ASP A 381 65.986 18.482 46.576 1.00 0.80 C \nATOM 2351 OD1 ASP A 381 65.328 19.308 45.888 1.00 -0.80 O \nATOM 2352 OD2 ASP A 381 66.870 18.823 47.397 1.00 -0.80 O \nATOM 2353 HA ASP A 381 64.111 17.434 45.024 1.00 0.09 H \nATOM 2354 HB2 ASP A 381 65.087 16.629 47.216 1.00 -0.01 H \nATOM 2355 HB3 ASP A 381 66.654 16.443 46.357 1.00 -0.01 H \nATOM 2356 H ASP A 381 63.354 15.302 45.041 1.00 0.29 H \nATOM 2357 N PHE A 382 65.198 17.265 42.746 1.00 -0.42 N \nATOM 2358 CA PHE A 382 65.893 17.456 41.486 1.00 -0.00 C \nATOM 2359 C PHE A 382 66.159 18.928 41.199 1.00 0.60 C \nATOM 2360 O PHE A 382 66.512 19.291 40.078 1.00 -0.57 O \nATOM 2361 CB PHE A 382 65.150 16.761 40.346 1.00 -0.03 C \nATOM 2362 CG PHE A 382 64.838 15.311 40.620 1.00 0.01 C \nATOM 2363 CD1 PHE A 382 65.853 14.362 40.690 1.00 -0.13 C \nATOM 2364 CD2 PHE A 382 63.526 14.891 40.789 1.00 -0.13 C \nATOM 2365 CE1 PHE A 382 65.557 13.022 40.934 1.00 -0.17 C \nATOM 2366 CE2 PHE A 382 63.225 13.560 41.037 1.00 -0.17 C \nATOM 2367 CZ PHE A 382 64.232 12.622 41.105 1.00 -0.11 C \nATOM 2368 HA PHE A 382 66.874 16.967 41.578 1.00 0.10 H \nATOM 2369 HB2 PHE A 382 64.203 17.293 40.173 1.00 0.03 H \nATOM 2370 HB3 PHE A 382 65.772 16.817 39.441 1.00 0.03 H \nATOM 2371 HD2 PHE A 382 62.722 15.616 40.726 1.00 0.13 H \nATOM 2372 HE2 PHE A 382 62.194 13.257 41.178 1.00 0.14 H \nATOM 2373 HZ PHE A 382 63.996 11.580 41.290 1.00 0.13 H \nATOM 2374 HE1 PHE A 382 66.356 12.292 40.991 1.00 0.14 H \nATOM 2375 HD1 PHE A 382 66.884 14.668 40.553 1.00 0.13 H \nATOM 2376 H PHE A 382 64.199 17.309 42.761 1.00 0.27 H \nATOM 2377 N GLY A 383 65.918 19.782 42.191 1.00 -0.42 N \nATOM 2378 CA GLY A 383 66.142 21.211 42.035 1.00 -0.03 C \nATOM 2379 C GLY A 383 67.500 21.605 41.450 1.00 0.60 C \nATOM 2380 O GLY A 383 67.595 22.577 40.700 1.00 -0.57 O \nATOM 2381 HA3 GLY A 383 65.359 21.606 41.371 1.00 0.07 H \nATOM 2382 HA2 GLY A 383 66.052 21.678 43.027 1.00 0.07 H \nATOM 2383 H GLY A 383 65.575 19.433 43.063 1.00 0.27 H \nATOM 2384 N LEU A 384 68.554 20.876 41.810 1.00 -0.42 N \nATOM 2385 CA LEU A 384 69.896 21.143 41.275 1.00 -0.05 C \nATOM 2386 C LEU A 384 70.253 20.241 40.089 1.00 0.60 C \nATOM 2387 O LEU A 384 71.344 20.354 39.535 1.00 -0.57 O \nATOM 2388 CB LEU A 384 70.964 20.995 42.376 1.00 -0.11 C \nATOM 2389 CG LEU A 384 71.024 22.030 43.506 1.00 0.35 C \nATOM 2390 CD1 LEU A 384 71.990 21.558 44.591 1.00 -0.41 C \nATOM 2391 CD2 LEU A 384 71.409 23.421 42.980 1.00 -0.41 C \nATOM 2392 HA LEU A 384 69.910 22.184 40.921 1.00 0.09 H \nATOM 2393 HB2 LEU A 384 70.805 20.014 42.847 1.00 0.05 H \nATOM 2394 HB3 LEU A 384 71.944 21.008 41.877 1.00 0.05 H \nATOM 2395 HG LEU A 384 70.021 22.106 43.951 1.00 -0.04 H \nATOM 2396 HD21 LEU A 384 70.668 23.750 42.236 1.00 0.10 H \nATOM 2397 HD22 LEU A 384 71.431 24.136 43.816 1.00 0.10 H \nATOM 2398 HD23 LEU A 384 72.403 23.374 42.511 1.00 0.10 H \nATOM 2399 HD11 LEU A 384 72.992 21.423 44.157 1.00 0.10 H \nATOM 2400 HD12 LEU A 384 72.036 22.309 45.393 1.00 0.10 H \nATOM 2401 HD13 LEU A 384 71.638 20.601 45.004 1.00 0.10 H \nATOM 2402 H LEU A 384 68.429 20.127 42.461 1.00 0.27 H \nATOM 2403 N SER A 385 69.339 19.344 39.718 1.00 -0.42 N \nATOM 2404 CA SER A 385 69.584 18.402 38.629 1.00 -0.02 C \nATOM 2405 C SER A 385 69.686 19.137 37.309 1.00 0.60 C \nATOM 2406 O SER A 385 69.018 20.145 37.096 1.00 -0.57 O \nATOM 2407 CB SER A 385 68.498 17.330 38.585 1.00 0.21 C \nATOM 2408 OG SER A 385 68.562 16.546 39.767 1.00 -0.65 O \nATOM 2409 HA SER A 385 70.546 17.903 38.817 1.00 0.08 H \nATOM 2410 HB2 SER A 385 67.511 17.810 38.516 1.00 0.04 H \nATOM 2411 HB3 SER A 385 68.654 16.685 37.708 1.00 0.04 H \nATOM 2412 HG SER A 385 67.887 15.878 39.741 1.00 0.43 H \nATOM 2413 H SER A 385 68.462 19.315 40.198 1.00 0.27 H \nATOM 2414 N ARG A 386 70.563 18.657 36.437 1.00 -0.35 N \nATOM 2415 CA ARG A 386 70.872 19.367 35.199 1.00 -0.26 C \nATOM 2416 C ARG A 386 71.178 18.374 34.085 1.00 0.73 C \nATOM 2417 O ARG A 386 71.841 17.350 34.309 1.00 -0.59 O \nATOM 2418 CB ARG A 386 72.087 20.294 35.397 1.00 -0.00 C \nATOM 2419 CG ARG A 386 71.917 21.401 36.435 1.00 0.04 C \nATOM 2420 CD ARG A 386 71.085 22.565 35.883 1.00 0.05 C \nATOM 2421 NE ARG A 386 71.066 23.718 36.790 1.00 -0.53 N \nATOM 2422 CZ ARG A 386 70.290 23.813 37.871 1.00 0.81 C \nATOM 2423 NH1 ARG A 386 70.342 24.901 38.638 1.00 -0.86 N \nATOM 2424 NH2 ARG A 386 69.460 22.820 38.183 1.00 -0.86 N \nATOM 2425 HA ARG A 386 70.001 19.974 34.911 1.00 0.16 H \nATOM 2426 HB2 ARG A 386 72.940 19.671 35.705 1.00 0.03 H \nATOM 2427 HB3 ARG A 386 72.310 20.769 34.430 1.00 0.03 H \nATOM 2428 HG2 ARG A 386 71.410 20.987 37.319 1.00 0.03 H \nATOM 2429 HG3 ARG A 386 72.910 21.776 36.723 1.00 0.03 H \nATOM 2430 HD2 ARG A 386 71.513 22.880 34.920 1.00 0.07 H \nATOM 2431 HD3 ARG A 386 70.052 22.219 35.729 1.00 0.07 H \nATOM 2432 HE ARG A 386 71.694 24.507 36.578 1.00 0.35 H \nATOM 2433 HH12 ARG A 386 69.742 24.972 39.472 1.00 0.45 H \nATOM 2434 HH11 ARG A 386 70.982 25.671 38.397 1.00 0.45 H \nATOM 2435 HH22 ARG A 386 68.861 22.893 39.017 1.00 0.45 H \nATOM 2436 HH21 ARG A 386 69.417 21.979 37.590 1.00 0.45 H \nATOM 2437 H ARG A 386 71.022 17.790 36.632 1.00 0.27 H \nATOM 2438 N LEU A 387 70.682 18.671 32.890 1.00 -0.42 N \nATOM 2439 CA LEU A 387 71.120 17.965 31.704 1.00 -0.05 C \nATOM 2440 C LEU A 387 72.417 18.624 31.227 1.00 0.60 C \nATOM 2441 O LEU A 387 72.462 19.839 30.979 1.00 -0.57 O \nATOM 2442 CB LEU A 387 70.056 18.000 30.617 1.00 -0.11 C \nATOM 2443 CG LEU A 387 70.493 17.467 29.247 1.00 0.35 C \nATOM 2444 CD1 LEU A 387 71.114 16.080 29.377 1.00 -0.41 C \nATOM 2445 CD2 LEU A 387 69.291 17.476 28.246 1.00 -0.41 C \nATOM 2446 HA LEU A 387 71.321 16.915 31.962 1.00 0.09 H \nATOM 2447 HB2 LEU A 387 69.202 17.396 30.959 1.00 0.05 H \nATOM 2448 HB3 LEU A 387 69.738 19.045 30.488 1.00 0.05 H \nATOM 2449 HG LEU A 387 71.265 18.143 28.850 1.00 -0.04 H \nATOM 2450 HD21 LEU A 387 68.914 18.503 28.135 1.00 0.10 H \nATOM 2451 HD22 LEU A 387 69.626 17.101 27.268 1.00 0.10 H \nATOM 2452 HD23 LEU A 387 68.488 16.830 28.631 1.00 0.10 H \nATOM 2453 HD11 LEU A 387 70.380 15.389 29.817 1.00 0.10 H \nATOM 2454 HD12 LEU A 387 71.409 15.716 28.382 1.00 0.10 H \nATOM 2455 HD13 LEU A 387 72.001 16.135 30.026 1.00 0.10 H \nATOM 2456 H LEU A 387 69.995 19.393 32.808 1.00 0.27 H \nATOM 2457 N MET A 388 73.475 17.824 31.120 1.00 -0.42 N \nATOM 2458 CA MET A 388 74.791 18.321 30.696 1.00 -0.02 C \nATOM 2459 C MET A 388 74.930 18.495 29.182 1.00 0.60 C \nATOM 2460 O MET A 388 74.504 17.631 28.408 1.00 -0.57 O \nATOM 2461 CB MET A 388 75.852 17.339 31.161 1.00 0.03 C \nATOM 2462 CG MET A 388 75.801 17.064 32.635 1.00 0.00 C \nATOM 2463 SD MET A 388 77.070 17.992 33.514 1.00 -0.27 S \nATOM 2464 CE MET A 388 78.300 16.722 33.719 1.00 -0.05 C \nATOM 2465 HA MET A 388 74.962 19.297 31.174 1.00 0.09 H \nATOM 2466 HB2 MET A 388 75.709 16.390 30.624 1.00 0.02 H \nATOM 2467 HB3 MET A 388 76.842 17.753 30.917 1.00 0.02 H \nATOM 2468 HG2 MET A 388 74.812 17.354 33.020 1.00 0.04 H \nATOM 2469 HG3 MET A 388 75.960 15.989 32.805 1.00 0.04 H \nATOM 2470 HE1 MET A 388 78.611 16.349 32.732 1.00 0.07 H \nATOM 2471 HE2 MET A 388 79.172 17.138 34.245 1.00 0.07 H \nATOM 2472 HE3 MET A 388 77.878 15.894 34.307 1.00 0.07 H \nATOM 2473 H MET A 388 73.371 16.853 31.335 1.00 0.27 H \nATOM 2474 N THR A 389 75.467 19.641 28.764 1.00 -0.42 N \nATOM 2475 CA THR A 389 75.967 19.834 27.389 1.00 -0.04 C \nATOM 2476 C THR A 389 77.426 19.392 27.150 1.00 0.60 C \nATOM 2477 O THR A 389 77.812 19.049 26.030 1.00 -0.57 O \nATOM 2478 CB THR A 389 75.800 21.280 26.923 1.00 0.37 C \nATOM 2479 OG1 THR A 389 76.555 22.144 27.790 1.00 -0.68 O \nATOM 2480 CG2 THR A 389 74.317 21.655 26.949 1.00 -0.24 C \nATOM 2481 HA THR A 389 75.337 19.205 26.743 1.00 0.10 H \nATOM 2482 HB THR A 389 76.179 21.379 25.895 1.00 0.00 H \nATOM 2483 HG1 THR A 389 76.455 23.045 27.505 1.00 0.41 H \nATOM 2484 HG23 THR A 389 73.898 21.563 25.936 1.00 0.06 H \nATOM 2485 HG21 THR A 389 73.780 20.980 27.631 1.00 0.06 H \nATOM 2486 HG22 THR A 389 74.207 22.692 27.298 1.00 0.06 H \nATOM 2487 H THR A 389 75.534 20.402 29.409 1.00 0.27 H \nATOM 2488 N GLY A 390 78.249 19.499 28.186 1.00 -0.42 N \nATOM 2489 CA GLY A 390 79.590 18.938 28.167 1.00 -0.03 C \nATOM 2490 C GLY A 390 79.657 17.758 29.123 1.00 0.60 C \nATOM 2491 O GLY A 390 78.633 17.137 29.414 1.00 -0.57 O \nATOM 2492 HA3 GLY A 390 79.832 18.600 27.149 1.00 0.07 H \nATOM 2493 HA2 GLY A 390 80.313 19.705 28.480 1.00 0.07 H \nATOM 2494 H GLY A 390 77.937 19.980 29.005 1.00 0.27 H \nATOM 2495 N ASP A 391 80.854 17.438 29.606 1.00 -0.52 N \nATOM 2496 CA ASP A 391 81.004 16.421 30.647 1.00 0.04 C \nATOM 2497 C ASP A 391 81.104 17.071 32.034 1.00 0.54 C \nATOM 2498 O ASP A 391 81.179 16.390 33.056 1.00 -0.58 O \nATOM 2499 CB ASP A 391 82.229 15.550 30.370 1.00 -0.03 C \nATOM 2500 CG ASP A 391 83.460 16.374 30.069 1.00 0.80 C \nATOM 2501 OD1 ASP A 391 83.868 17.168 30.947 1.00 -0.80 O \nATOM 2502 OD2 ASP A 391 84.004 16.252 28.946 1.00 -0.80 O \nATOM 2503 HA ASP A 391 80.112 15.778 30.632 1.00 0.09 H \nATOM 2504 HB2 ASP A 391 82.428 14.927 31.254 1.00 -0.01 H \nATOM 2505 HB3 ASP A 391 82.016 14.903 29.506 1.00 -0.01 H \nATOM 2506 H ASP A 391 81.666 17.901 29.251 1.00 0.29 H \nATOM 2507 N THR A 392 81.084 18.397 32.054 1.00 -0.42 N \nATOM 2508 CA THR A 392 81.261 19.163 33.277 1.00 -0.04 C \nATOM 2509 C THR A 392 80.215 20.284 33.367 1.00 0.60 C \nATOM 2510 O THR A 392 79.810 20.860 32.360 1.00 -0.57 O \nATOM 2511 CB THR A 392 82.686 19.770 33.328 1.00 0.37 C \nATOM 2512 OG1 THR A 392 83.590 18.819 33.906 1.00 -0.68 O \nATOM 2513 CG2 THR A 392 82.714 21.046 34.157 1.00 -0.24 C \nATOM 2514 HA THR A 392 81.132 18.489 34.136 1.00 0.10 H \nATOM 2515 HB THR A 392 83.010 20.003 32.303 1.00 0.00 H \nATOM 2516 HG1 THR A 392 84.464 19.191 33.937 1.00 0.41 H \nATOM 2517 HG23 THR A 392 82.667 21.919 33.489 1.00 0.06 H \nATOM 2518 HG21 THR A 392 81.851 21.059 34.839 1.00 0.06 H \nATOM 2519 HG22 THR A 392 83.644 21.082 34.743 1.00 0.06 H \nATOM 2520 H THR A 392 80.942 18.889 31.195 1.00 0.27 H \nATOM 2521 N TYR A 393 79.770 20.578 34.580 1.00 -0.42 N \nATOM 2522 CA TYR A 393 78.875 21.698 34.818 1.00 -0.00 C \nATOM 2523 C TYR A 393 79.486 22.602 35.899 1.00 0.60 C \nATOM 2524 O TYR A 393 80.022 22.126 36.886 1.00 -0.57 O \nATOM 2525 CB TYR A 393 77.495 21.193 35.246 1.00 -0.02 C \nATOM 2526 CG TYR A 393 76.518 22.302 35.523 1.00 -0.00 C \nATOM 2527 CD1 TYR A 393 75.665 22.771 34.523 1.00 -0.19 C \nATOM 2528 CD2 TYR A 393 76.447 22.894 36.779 1.00 -0.19 C \nATOM 2529 CE1 TYR A 393 74.756 23.798 34.776 1.00 -0.23 C \nATOM 2530 CE2 TYR A 393 75.551 23.934 37.036 1.00 -0.23 C \nATOM 2531 CZ TYR A 393 74.705 24.373 36.041 1.00 0.32 C \nATOM 2532 OH TYR A 393 73.808 25.394 36.308 1.00 -0.56 O \nATOM 2533 HA TYR A 393 78.766 22.276 33.888 1.00 0.09 H \nATOM 2534 HB3 TYR A 393 77.089 20.562 34.442 1.00 0.03 H \nATOM 2535 HB2 TYR A 393 77.611 20.592 36.160 1.00 0.03 H \nATOM 2536 HD2 TYR A 393 77.098 22.543 37.572 1.00 0.17 H \nATOM 2537 HE2 TYR A 393 75.521 24.395 38.017 1.00 0.17 H \nATOM 2538 HE1 TYR A 393 74.094 24.146 33.992 1.00 0.17 H \nATOM 2539 HD1 TYR A 393 75.710 22.330 33.534 1.00 0.17 H \nATOM 2540 HH TYR A 393 73.299 25.580 35.528 1.00 0.40 H \nATOM 2541 H TYR A 393 80.058 20.013 35.353 1.00 0.27 H \nATOM 2542 N THR A 394 79.397 23.908 35.697 1.00 -0.42 N \nATOM 2543 CA THR A 394 79.983 24.891 36.602 1.00 -0.04 C \nATOM 2544 C THR A 394 78.897 25.611 37.396 1.00 0.60 C \nATOM 2545 O THR A 394 78.078 26.316 36.817 1.00 -0.57 O \nATOM 2546 CB THR A 394 80.770 25.950 35.793 1.00 0.37 C \nATOM 2547 OG1 THR A 394 81.797 25.302 35.029 1.00 -0.68 O \nATOM 2548 CG2 THR A 394 81.395 27.002 36.718 1.00 -0.24 C \nATOM 2549 HA THR A 394 80.664 24.378 37.297 1.00 0.10 H \nATOM 2550 HB THR A 394 80.077 26.455 35.104 1.00 0.00 H \nATOM 2551 HG1 THR A 394 82.280 25.952 34.532 1.00 0.41 H \nATOM 2552 HG23 THR A 394 80.756 27.897 36.740 1.00 0.06 H \nATOM 2553 HG21 THR A 394 81.484 26.590 37.734 1.00 0.06 H \nATOM 2554 HG22 THR A 394 82.393 27.273 36.343 1.00 0.06 H \nATOM 2555 H THR A 394 78.907 24.235 34.889 1.00 0.27 H \nATOM 2556 N ALA A 395 78.873 25.424 38.713 1.00 -0.42 N \nATOM 2557 CA ALA A 395 77.904 26.126 39.551 1.00 0.03 C \nATOM 2558 C ALA A 395 78.197 27.620 39.519 1.00 0.60 C \nATOM 2559 O ALA A 395 79.334 28.024 39.243 1.00 -0.57 O \nATOM 2560 CB ALA A 395 77.949 25.605 40.976 1.00 -0.18 C \nATOM 2561 HA ALA A 395 76.896 25.953 39.147 1.00 0.08 H \nATOM 2562 HB1 ALA A 395 77.213 26.147 41.588 1.00 0.06 H \nATOM 2563 HB2 ALA A 395 77.711 24.531 40.981 1.00 0.06 H \nATOM 2564 HB3 ALA A 395 78.956 25.760 41.391 1.00 0.06 H \nATOM 2565 H ALA A 395 79.526 24.795 39.134 1.00 0.27 H \nATOM 2566 N HIS A 396 77.185 28.442 39.792 1.00 -0.42 N \nATOM 2567 CA HIS A 396 77.388 29.892 39.799 1.00 0.02 C \nATOM 2568 C HIS A 396 78.280 30.306 40.978 1.00 0.60 C \nATOM 2569 O HIS A 396 78.236 29.697 42.059 1.00 -0.57 O \nATOM 2570 CB HIS A 396 76.057 30.651 39.843 1.00 -0.05 C \nATOM 2571 CG HIS A 396 75.379 30.601 41.176 1.00 -0.03 C \nATOM 2572 ND1 HIS A 396 75.625 31.527 42.170 1.00 -0.38 N \nATOM 2573 CD2 HIS A 396 74.464 29.739 41.685 1.00 0.13 C \nATOM 2574 CE1 HIS A 396 74.892 31.237 43.231 1.00 0.21 C \nATOM 2575 NE2 HIS A 396 74.178 30.156 42.964 1.00 -0.57 N \nATOM 2576 HA HIS A 396 77.903 30.166 38.867 1.00 0.09 H \nATOM 2577 HB2 HIS A 396 76.249 31.704 39.591 1.00 0.04 H \nATOM 2578 HB3 HIS A 396 75.382 30.212 39.094 1.00 0.04 H \nATOM 2579 HD2 HIS A 396 74.035 28.877 41.176 1.00 0.11 H \nATOM 2580 HE1 HIS A 396 74.878 31.794 44.167 1.00 0.14 H \nATOM 2581 HD1 HIS A 396 76.278 32.320 42.096 1.00 0.36 H \nATOM 2582 H HIS A 396 76.280 28.066 39.994 1.00 0.27 H \nATOM 2583 N ALA A 397 79.077 31.349 40.760 1.00 -0.42 N \nATOM 2584 CA ALA A 397 80.033 31.831 41.755 1.00 0.03 C \nATOM 2585 C ALA A 397 79.374 32.109 43.106 1.00 0.60 C \nATOM 2586 O ALA A 397 78.312 32.746 43.180 1.00 -0.57 O \nATOM 2587 CB ALA A 397 80.730 33.090 41.249 1.00 -0.18 C \nATOM 2588 HA ALA A 397 80.792 31.049 41.902 1.00 0.08 H \nATOM 2589 HB1 ALA A 397 81.446 33.442 42.006 1.00 0.06 H \nATOM 2590 HB2 ALA A 397 81.266 32.863 40.316 1.00 0.06 H \nATOM 2591 HB3 ALA A 397 79.981 33.873 41.060 1.00 0.06 H \nATOM 2592 H ALA A 397 79.020 31.822 39.881 1.00 0.27 H \nATOM 2593 N GLY A 398 80.013 31.634 44.174 1.00 -0.42 N \nATOM 2594 CA GLY A 398 79.499 31.842 45.515 1.00 -0.03 C \nATOM 2595 C GLY A 398 78.371 30.893 45.904 1.00 0.60 C \nATOM 2596 O GLY A 398 77.753 31.056 46.964 1.00 -0.57 O \nATOM 2597 HA3 GLY A 398 80.326 31.705 46.227 1.00 0.07 H \nATOM 2598 HA2 GLY A 398 79.122 32.873 45.584 1.00 0.07 H \nATOM 2599 H GLY A 398 80.864 31.124 44.049 1.00 0.27 H \nATOM 2600 N ALA A 399 78.078 29.916 45.050 1.00 -0.42 N \nATOM 2601 CA ALA A 399 77.166 28.858 45.448 1.00 0.03 C \nATOM 2602 C ALA A 399 77.860 28.080 46.569 1.00 0.60 C \nATOM 2603 O ALA A 399 79.099 27.947 46.576 1.00 -0.57 O \nATOM 2604 CB ALA A 399 76.855 27.957 44.287 1.00 -0.18 C \nATOM 2605 HA ALA A 399 76.229 29.295 45.823 1.00 0.08 H \nATOM 2606 HB1 ALA A 399 76.164 27.165 44.612 1.00 0.06 H \nATOM 2607 HB2 ALA A 399 76.388 28.544 43.482 1.00 0.06 H \nATOM 2608 HB3 ALA A 399 77.785 27.502 43.916 1.00 0.06 H \nATOM 2609 H ALA A 399 78.485 29.910 44.136 1.00 0.27 H \nATOM 2610 N LYS A 400 77.078 27.585 47.525 1.00 -0.35 N \nATOM 2611 CA LYS A 400 77.648 26.866 48.659 1.00 -0.24 C \nATOM 2612 C LYS A 400 77.061 25.472 48.743 1.00 0.73 C \nATOM 2613 O LYS A 400 75.896 25.265 48.412 1.00 -0.59 O \nATOM 2614 CB LYS A 400 77.433 27.645 49.963 1.00 -0.01 C \nATOM 2615 CG LYS A 400 78.323 28.894 50.086 1.00 0.02 C \nATOM 2616 CD LYS A 400 79.802 28.551 49.844 1.00 -0.05 C \nATOM 2617 CE LYS A 400 80.664 29.815 49.740 1.00 -0.01 C \nATOM 2618 NZ LYS A 400 81.741 29.844 50.781 1.00 -0.39 N \nATOM 2619 HA LYS A 400 78.732 26.771 48.496 1.00 0.14 H \nATOM 2620 HB2 LYS A 400 76.381 27.961 50.010 1.00 0.04 H \nATOM 2621 HB3 LYS A 400 77.653 26.976 50.808 1.00 0.04 H \nATOM 2622 HG2 LYS A 400 78.001 29.638 49.343 1.00 0.01 H \nATOM 2623 HG3 LYS A 400 78.213 29.314 51.097 1.00 0.01 H \nATOM 2624 HD2 LYS A 400 80.168 27.937 50.680 1.00 0.06 H \nATOM 2625 HD3 LYS A 400 79.888 27.982 48.907 1.00 0.06 H \nATOM 2626 HE2 LYS A 400 81.131 29.846 48.744 1.00 0.11 H \nATOM 2627 HE3 LYS A 400 80.019 30.697 49.871 1.00 0.11 H \nATOM 2628 HZ1 LYS A 400 82.336 29.037 50.672 1.00 0.34 H \nATOM 2629 HZ2 LYS A 400 82.290 30.683 50.674 1.00 0.34 H \nATOM 2630 HZ3 LYS A 400 81.322 29.831 51.698 1.00 0.34 H \nATOM 2631 H LYS A 400 76.087 27.707 47.465 1.00 0.27 H \nATOM 2632 N PHE A 401 77.870 24.522 49.195 1.00 -0.42 N \nATOM 2633 CA PHE A 401 77.500 23.116 49.152 1.00 -0.00 C \nATOM 2634 C PHE A 401 77.564 22.410 50.495 1.00 0.60 C \nATOM 2635 O PHE A 401 78.170 22.910 51.444 1.00 -0.57 O \nATOM 2636 CB PHE A 401 78.411 22.387 48.179 1.00 -0.03 C \nATOM 2637 CG PHE A 401 78.562 23.094 46.892 1.00 0.01 C \nATOM 2638 CD1 PHE A 401 79.797 23.606 46.501 1.00 -0.13 C \nATOM 2639 CD2 PHE A 401 77.457 23.304 46.087 1.00 -0.13 C \nATOM 2640 CE1 PHE A 401 79.927 24.287 45.298 1.00 -0.17 C \nATOM 2641 CE2 PHE A 401 77.574 23.984 44.893 1.00 -0.17 C \nATOM 2642 CZ PHE A 401 78.805 24.475 44.494 1.00 -0.11 C \nATOM 2643 HA PHE A 401 76.465 23.053 48.786 1.00 0.10 H \nATOM 2644 HB2 PHE A 401 79.404 22.282 48.640 1.00 0.03 H \nATOM 2645 HB3 PHE A 401 77.990 21.390 47.984 1.00 0.03 H \nATOM 2646 HD2 PHE A 401 76.488 22.930 46.398 1.00 0.13 H \nATOM 2647 HE2 PHE A 401 76.702 24.134 44.267 1.00 0.14 H \nATOM 2648 HZ PHE A 401 78.896 25.007 43.554 1.00 0.13 H \nATOM 2649 HE1 PHE A 401 80.893 24.669 44.987 1.00 0.14 H \nATOM 2650 HD1 PHE A 401 80.662 23.472 47.140 1.00 0.13 H \nATOM 2651 H PHE A 401 78.758 24.780 49.575 1.00 0.27 H \nATOM 2652 N PRO A 402 76.925 21.236 50.568 1.00 -0.25 N \nATOM 2653 CA PRO A 402 77.019 20.315 51.706 1.00 -0.03 C \nATOM 2654 C PRO A 402 78.414 19.681 51.650 1.00 0.59 C \nATOM 2655 O PRO A 402 78.669 18.703 50.935 1.00 -0.57 O \nATOM 2656 CB PRO A 402 75.913 19.295 51.438 1.00 -0.01 C \nATOM 2657 CG PRO A 402 75.780 19.286 49.939 1.00 0.02 C \nATOM 2658 CD PRO A 402 76.026 20.724 49.515 1.00 0.02 C \nATOM 2659 HA PRO A 402 76.865 20.825 52.669 1.00 0.06 H \nATOM 2660 HD3 PRO A 402 75.085 21.294 49.488 1.00 0.04 H \nATOM 2661 HD2 PRO A 402 76.510 20.767 48.528 1.00 0.04 H \nATOM 2662 HG3 PRO A 402 74.772 18.962 49.642 1.00 0.02 H \nATOM 2663 HG2 PRO A 402 76.528 18.617 49.488 1.00 0.02 H \nATOM 2664 HB2 PRO A 402 76.200 18.301 51.811 1.00 0.03 H \nATOM 2665 HB3 PRO A 402 74.971 19.607 51.912 1.00 0.03 H \nATOM 2666 N ILE A 403 79.340 20.349 52.323 1.00 -0.42 N \nATOM 2667 CA ILE A 403 80.757 20.016 52.293 1.00 -0.06 C \nATOM 2668 C ILE A 403 81.070 18.522 52.453 1.00 0.60 C \nATOM 2669 O ILE A 403 81.874 17.986 51.695 1.00 -0.57 O \nATOM 2670 CB ILE A 403 81.499 20.822 53.379 1.00 0.13 C \nATOM 2671 CG1 ILE A 403 81.523 22.302 52.999 1.00 -0.04 C \nATOM 2672 CG2 ILE A 403 82.906 20.293 53.588 1.00 -0.32 C \nATOM 2673 CD1 ILE A 403 82.013 23.227 54.109 1.00 -0.07 C \nATOM 2674 HA ILE A 403 81.143 20.325 51.311 1.00 0.09 H \nATOM 2675 HB ILE A 403 80.949 20.716 54.326 1.00 0.02 H \nATOM 2676 HG12 ILE A 403 82.187 22.424 52.131 1.00 0.02 H \nATOM 2677 HG13 ILE A 403 80.501 22.604 52.725 1.00 0.02 H \nATOM 2678 HD11 ILE A 403 83.036 22.944 54.397 1.00 0.02 H \nATOM 2679 HD12 ILE A 403 82.008 24.266 53.749 1.00 0.02 H \nATOM 2680 HD13 ILE A 403 81.348 23.138 54.981 1.00 0.02 H \nATOM 2681 HG21 ILE A 403 83.467 20.360 52.644 1.00 0.09 H \nATOM 2682 HG22 ILE A 403 83.412 20.892 54.359 1.00 0.09 H \nATOM 2683 HG23 ILE A 403 82.858 19.243 53.913 1.00 0.09 H \nATOM 2684 H ILE A 403 79.049 21.125 52.883 1.00 0.27 H \nATOM 2685 N LYS A 404 80.427 17.843 53.400 1.00 -0.35 N \nATOM 2686 CA LYS A 404 80.769 16.440 53.682 1.00 -0.24 C \nATOM 2687 C LYS A 404 80.343 15.444 52.598 1.00 0.73 C \nATOM 2688 O LYS A 404 80.792 14.291 52.603 1.00 -0.59 O \nATOM 2689 CB LYS A 404 80.236 16.019 55.066 1.00 -0.01 C \nATOM 2690 CG LYS A 404 80.887 16.826 56.195 1.00 0.02 C \nATOM 2691 CD LYS A 404 80.811 16.177 57.569 1.00 -0.05 C \nATOM 2692 CE LYS A 404 81.597 17.058 58.551 1.00 -0.01 C \nATOM 2693 NZ LYS A 404 81.875 16.458 59.894 1.00 -0.39 N \nATOM 2694 HA LYS A 404 81.867 16.392 53.730 1.00 0.14 H \nATOM 2695 HB2 LYS A 404 79.148 16.181 55.093 1.00 0.04 H \nATOM 2696 HB3 LYS A 404 80.451 14.952 55.221 1.00 0.04 H \nATOM 2697 HG2 LYS A 404 81.948 16.972 55.944 1.00 0.01 H \nATOM 2698 HG3 LYS A 404 80.386 17.803 56.250 1.00 0.01 H \nATOM 2699 HD2 LYS A 404 79.762 16.104 57.890 1.00 0.06 H \nATOM 2700 HD3 LYS A 404 81.254 15.171 57.532 1.00 0.06 H \nATOM 2701 HE2 LYS A 404 82.563 17.302 58.085 1.00 0.11 H \nATOM 2702 HE3 LYS A 404 81.022 17.982 58.708 1.00 0.11 H \nATOM 2703 HZ1 LYS A 404 82.408 15.610 59.779 1.00 0.34 H \nATOM 2704 HZ2 LYS A 404 82.401 17.112 60.452 1.00 0.34 H \nATOM 2705 HZ3 LYS A 404 81.004 16.248 60.355 1.00 0.34 H \nATOM 2706 H LYS A 404 79.704 18.291 53.925 1.00 0.27 H \nATOM 2707 N TRP A 405 79.422 15.870 51.726 1.00 -0.42 N \nATOM 2708 CA TRP A 405 79.014 15.066 50.562 1.00 -0.03 C \nATOM 2709 C TRP A 405 79.643 15.490 49.218 1.00 0.60 C \nATOM 2710 O TRP A 405 79.488 14.795 48.212 1.00 -0.57 O \nATOM 2711 CB TRP A 405 77.475 15.092 50.406 1.00 -0.01 C \nATOM 2712 CG TRP A 405 76.696 14.354 51.487 1.00 -0.14 C \nATOM 2713 CD1 TRP A 405 76.140 13.099 51.389 1.00 -0.16 C \nATOM 2714 CD2 TRP A 405 76.428 14.805 52.827 1.00 0.12 C \nATOM 2715 NE1 TRP A 405 75.521 12.757 52.580 1.00 -0.34 N \nATOM 2716 CE2 TRP A 405 75.678 13.787 53.474 1.00 0.14 C \nATOM 2717 CE3 TRP A 405 76.733 15.971 53.537 1.00 -0.24 C \nATOM 2718 CZ2 TRP A 405 75.234 13.902 54.796 1.00 -0.26 C \nATOM 2719 CZ3 TRP A 405 76.271 16.097 54.860 1.00 -0.20 C \nATOM 2720 CH2 TRP A 405 75.541 15.064 55.473 1.00 -0.11 C \nATOM 2721 HA TRP A 405 79.326 14.030 50.760 1.00 0.11 H \nATOM 2722 HB2 TRP A 405 77.151 16.143 50.412 1.00 0.03 H \nATOM 2723 HB3 TRP A 405 77.224 14.637 49.437 1.00 0.03 H \nATOM 2724 HE1 TRP A 405 75.024 11.874 52.765 1.00 0.34 H \nATOM 2725 HD1 TRP A 405 76.181 12.466 50.503 1.00 0.21 H \nATOM 2726 HZ2 TRP A 405 74.670 13.107 55.271 1.00 0.16 H \nATOM 2727 HH2 TRP A 405 75.212 15.183 56.499 1.00 0.14 H \nATOM 2728 HZ3 TRP A 405 76.481 17.004 55.415 1.00 0.14 H \nATOM 2729 HE3 TRP A 405 77.314 16.762 53.077 1.00 0.17 H \nATOM 2730 H TRP A 405 78.997 16.764 51.870 1.00 0.27 H \nATOM 2731 N THR A 406 80.358 16.611 49.190 1.00 -0.42 N \nATOM 2732 CA THR A 406 80.755 17.181 47.908 1.00 -0.04 C \nATOM 2733 C THR A 406 82.179 16.784 47.492 1.00 0.60 C \nATOM 2734 O THR A 406 83.112 16.850 48.300 1.00 -0.57 O \nATOM 2735 CB THR A 406 80.651 18.702 47.946 1.00 0.37 C \nATOM 2736 OG1 THR A 406 79.330 19.076 48.349 1.00 -0.68 O \nATOM 2737 CG2 THR A 406 81.026 19.349 46.573 1.00 -0.24 C \nATOM 2738 HA THR A 406 80.060 16.803 47.144 1.00 0.10 H \nATOM 2739 HB THR A 406 81.361 19.075 48.699 1.00 0.00 H \nATOM 2740 HG1 THR A 406 79.263 20.023 48.373 1.00 0.41 H \nATOM 2741 HG23 THR A 406 82.068 19.700 46.606 1.00 0.06 H \nATOM 2742 HG21 THR A 406 80.916 18.602 45.773 1.00 0.06 H \nATOM 2743 HG22 THR A 406 80.358 20.200 46.374 1.00 0.06 H \nATOM 2744 H THR A 406 80.622 17.060 50.043 1.00 0.27 H \nATOM 2745 N ALA A 407 82.343 16.393 46.229 1.00 -0.42 N \nATOM 2746 CA ALA A 407 83.640 15.991 45.698 1.00 0.03 C \nATOM 2747 C ALA A 407 84.633 17.154 45.799 1.00 0.60 C \nATOM 2748 O ALA A 407 84.239 18.333 45.712 1.00 -0.57 O \nATOM 2749 CB ALA A 407 83.491 15.532 44.241 1.00 -0.18 C \nATOM 2750 HA ALA A 407 84.022 15.150 46.295 1.00 0.08 H \nATOM 2751 HB1 ALA A 407 84.474 15.231 43.849 1.00 0.06 H \nATOM 2752 HB2 ALA A 407 82.800 14.677 44.195 1.00 0.06 H \nATOM 2753 HB3 ALA A 407 83.092 16.359 43.635 1.00 0.06 H \nATOM 2754 H ALA A 407 81.548 16.375 45.623 1.00 0.27 H \nATOM 2755 N PRO A 408 85.924 16.826 45.982 1.00 -0.25 N \nATOM 2756 CA PRO A 408 86.994 17.833 46.110 1.00 -0.03 C \nATOM 2757 C PRO A 408 87.055 18.824 44.948 1.00 0.59 C \nATOM 2758 O PRO A 408 87.147 20.030 45.188 1.00 -0.57 O \nATOM 2759 CB PRO A 408 88.289 16.996 46.152 1.00 -0.01 C \nATOM 2760 CG PRO A 408 87.862 15.647 46.562 1.00 0.02 C \nATOM 2761 CD PRO A 408 86.440 15.449 46.070 1.00 0.02 C \nATOM 2762 HA PRO A 408 86.865 18.396 47.046 1.00 0.06 H \nATOM 2763 HD3 PRO A 408 85.854 14.852 46.785 1.00 0.04 H \nATOM 2764 HD2 PRO A 408 86.427 14.958 45.086 1.00 0.04 H \nATOM 2765 HG3 PRO A 408 87.896 15.559 47.658 1.00 0.02 H \nATOM 2766 HG2 PRO A 408 88.523 14.891 46.113 1.00 0.02 H \nATOM 2767 HB2 PRO A 408 88.762 16.966 45.159 1.00 0.03 H \nATOM 2768 HB3 PRO A 408 88.996 17.416 46.882 1.00 0.03 H \nATOM 2769 N GLU A 409 86.996 18.339 43.710 1.00 -0.52 N \nATOM 2770 CA GLU A 409 87.031 19.251 42.575 1.00 0.04 C \nATOM 2771 C GLU A 409 85.821 20.193 42.580 1.00 0.54 C \nATOM 2772 O GLU A 409 85.899 21.333 42.096 1.00 -0.58 O \nATOM 2773 CB GLU A 409 87.157 18.503 41.228 1.00 0.06 C \nATOM 2774 CG GLU A 409 85.902 17.722 40.788 1.00 0.01 C \nATOM 2775 CD GLU A 409 85.767 16.384 41.494 1.00 0.81 C \nATOM 2776 OE1 GLU A 409 86.550 16.111 42.444 1.00 -0.82 O \nATOM 2777 OE2 GLU A 409 84.876 15.583 41.110 1.00 -0.82 O \nATOM 2778 HA GLU A 409 87.931 19.873 42.686 1.00 0.11 H \nATOM 2779 HB2 GLU A 409 87.387 19.244 40.448 1.00 -0.02 H \nATOM 2780 HB3 GLU A 409 87.989 17.789 41.312 1.00 -0.02 H \nATOM 2781 HG2 GLU A 409 85.013 18.330 41.012 1.00 -0.04 H \nATOM 2782 HG3 GLU A 409 85.960 17.544 39.704 1.00 -0.04 H \nATOM 2783 H GLU A 409 86.928 17.353 43.560 1.00 0.29 H \nATOM 2784 N SER A 410 84.707 19.729 43.140 1.00 -0.42 N \nATOM 2785 CA SER A 410 83.505 20.563 43.212 1.00 -0.02 C \nATOM 2786 C SER A 410 83.649 21.620 44.287 1.00 0.60 C \nATOM 2787 O SER A 410 83.313 22.788 44.077 1.00 -0.57 O \nATOM 2788 CB SER A 410 82.263 19.704 43.467 1.00 0.21 C \nATOM 2789 OG SER A 410 82.104 18.783 42.395 1.00 -0.65 O \nATOM 2790 HA SER A 410 83.380 21.071 42.244 1.00 0.08 H \nATOM 2791 HB2 SER A 410 82.384 19.153 44.411 1.00 0.04 H \nATOM 2792 HB3 SER A 410 81.375 20.350 43.531 1.00 0.04 H \nATOM 2793 HG SER A 410 81.334 18.248 42.549 1.00 0.43 H \nATOM 2794 H SER A 410 84.690 18.802 43.515 1.00 0.27 H \nATOM 2795 N LEU A 411 84.181 21.219 45.437 1.00 -0.42 N \nATOM 2796 CA LEU A 411 84.484 22.169 46.509 1.00 -0.05 C \nATOM 2797 C LEU A 411 85.488 23.231 46.076 1.00 0.60 C \nATOM 2798 O LEU A 411 85.374 24.397 46.457 1.00 -0.57 O \nATOM 2799 CB LEU A 411 85.064 21.423 47.715 1.00 -0.11 C \nATOM 2800 CG LEU A 411 84.080 20.571 48.508 1.00 0.35 C \nATOM 2801 CD1 LEU A 411 84.792 19.753 49.573 1.00 -0.41 C \nATOM 2802 CD2 LEU A 411 83.001 21.459 49.127 1.00 -0.41 C \nATOM 2803 HA LEU A 411 83.549 22.667 46.806 1.00 0.09 H \nATOM 2804 HB2 LEU A 411 85.864 20.762 47.350 1.00 0.05 H \nATOM 2805 HB3 LEU A 411 85.491 22.170 48.400 1.00 0.05 H \nATOM 2806 HG LEU A 411 83.593 19.872 47.812 1.00 -0.04 H \nATOM 2807 HD21 LEU A 411 82.467 21.997 48.330 1.00 0.10 H \nATOM 2808 HD22 LEU A 411 82.290 20.835 49.688 1.00 0.10 H \nATOM 2809 HD23 LEU A 411 83.470 22.184 49.808 1.00 0.10 H \nATOM 2810 HD11 LEU A 411 85.318 20.429 50.263 1.00 0.10 H \nATOM 2811 HD12 LEU A 411 84.055 19.159 50.133 1.00 0.10 H \nATOM 2812 HD13 LEU A 411 85.518 19.080 49.094 1.00 0.10 H \nATOM 2813 H LEU A 411 84.378 20.248 45.573 1.00 0.27 H \nATOM 2814 N ALA A 412 86.509 22.821 45.333 1.00 -0.42 N \nATOM 2815 CA ALA A 412 87.583 23.753 44.997 1.00 0.03 C \nATOM 2816 C ALA A 412 87.306 24.622 43.779 1.00 0.60 C \nATOM 2817 O ALA A 412 87.632 25.821 43.771 1.00 -0.57 O \nATOM 2818 CB ALA A 412 88.902 23.004 44.829 1.00 -0.18 C \nATOM 2819 HA ALA A 412 87.694 24.433 45.854 1.00 0.08 H \nATOM 2820 HB1 ALA A 412 89.700 23.718 44.577 1.00 0.06 H \nATOM 2821 HB2 ALA A 412 89.154 22.490 45.768 1.00 0.06 H \nATOM 2822 HB3 ALA A 412 88.803 22.264 44.021 1.00 0.06 H \nATOM 2823 H ALA A 412 86.543 21.877 45.004 1.00 0.27 H \nATOM 2824 N TYR A 413 86.794 23.983 42.726 1.00 -0.42 N \nATOM 2825 CA TYR A 413 86.529 24.643 41.441 1.00 -0.00 C \nATOM 2826 C TYR A 413 85.052 24.898 41.082 1.00 0.60 C \nATOM 2827 O TYR A 413 84.763 25.478 40.037 1.00 -0.57 O \nATOM 2828 CB TYR A 413 87.262 23.894 40.326 1.00 -0.02 C \nATOM 2829 CG TYR A 413 88.737 23.730 40.622 1.00 -0.00 C \nATOM 2830 CD1 TYR A 413 89.343 22.478 40.597 1.00 -0.19 C \nATOM 2831 CD2 TYR A 413 89.528 24.835 40.934 1.00 -0.19 C \nATOM 2832 CE1 TYR A 413 90.706 22.334 40.876 1.00 -0.23 C \nATOM 2833 CE2 TYR A 413 90.886 24.702 41.208 1.00 -0.23 C \nATOM 2834 CZ TYR A 413 91.466 23.451 41.179 1.00 0.32 C \nATOM 2835 OH TYR A 413 92.809 23.330 41.449 1.00 -0.56 O \nATOM 2836 HA TYR A 413 86.989 25.640 41.513 1.00 0.09 H \nATOM 2837 HB3 TYR A 413 86.810 22.897 40.212 1.00 0.03 H \nATOM 2838 HB2 TYR A 413 87.149 24.457 39.388 1.00 0.03 H \nATOM 2839 HD2 TYR A 413 89.075 25.819 40.964 1.00 0.17 H \nATOM 2840 HE2 TYR A 413 91.484 25.575 41.443 1.00 0.17 H \nATOM 2841 HE1 TYR A 413 91.165 21.352 40.855 1.00 0.17 H \nATOM 2842 HD1 TYR A 413 88.751 21.602 40.358 1.00 0.17 H \nATOM 2843 HH TYR A 413 93.063 22.416 41.391 1.00 0.40 H \nATOM 2844 H TYR A 413 86.581 23.010 42.816 1.00 0.27 H \nATOM 2845 N ASN A 414 84.120 24.443 41.921 1.00 -0.42 N \nATOM 2846 CA ASN A 414 82.694 24.540 41.579 1.00 0.01 C \nATOM 2847 C ASN A 414 82.331 23.768 40.310 1.00 0.60 C \nATOM 2848 O ASN A 414 81.369 24.104 39.627 1.00 -0.57 O \nATOM 2849 CB ASN A 414 82.273 26.001 41.390 1.00 -0.20 C \nATOM 2850 CG ASN A 414 81.614 26.575 42.611 1.00 0.71 C \nATOM 2851 OD1 ASN A 414 81.776 26.059 43.723 1.00 -0.59 O \nATOM 2852 ND2 ASN A 414 80.839 27.639 42.415 1.00 -0.92 N \nATOM 2853 HA ASN A 414 82.120 24.115 42.416 1.00 0.10 H \nATOM 2854 HB2 ASN A 414 83.167 26.598 41.159 1.00 0.08 H \nATOM 2855 HB3 ASN A 414 81.567 26.058 40.549 1.00 0.08 H \nATOM 2856 HD22 ASN A 414 80.372 28.067 43.189 1.00 0.42 H \nATOM 2857 HD21 ASN A 414 80.723 28.010 41.494 1.00 0.42 H \nATOM 2858 H ASN A 414 84.394 24.032 42.791 1.00 0.27 H \nATOM 2859 N LYS A 415 83.117 22.745 40.000 1.00 -0.35 N \nATOM 2860 CA LYS A 415 82.914 21.906 38.831 1.00 -0.24 C \nATOM 2861 C LYS A 415 82.158 20.668 39.271 1.00 0.73 C \nATOM 2862 O LYS A 415 82.578 19.982 40.218 1.00 -0.59 O \nATOM 2863 CB LYS A 415 84.276 21.464 38.272 1.00 -0.01 C \nATOM 2864 CG LYS A 415 84.622 22.052 36.905 1.00 0.02 C \nATOM 2865 CD LYS A 415 85.236 23.431 37.026 1.00 -0.05 C \nATOM 2866 CE LYS A 415 85.089 24.204 35.731 1.00 -0.01 C \nATOM 2867 NZ LYS A 415 85.491 25.620 35.933 1.00 -0.39 N \nATOM 2868 HA LYS A 415 82.347 22.452 38.063 1.00 0.14 H \nATOM 2869 HB2 LYS A 415 85.056 21.770 38.985 1.00 0.04 H \nATOM 2870 HB3 LYS A 415 84.271 20.368 38.183 1.00 0.04 H \nATOM 2871 HG2 LYS A 415 85.338 21.386 36.402 1.00 0.01 H \nATOM 2872 HG3 LYS A 415 83.703 22.123 36.305 1.00 0.01 H \nATOM 2873 HD2 LYS A 415 84.730 23.981 37.833 1.00 0.06 H \nATOM 2874 HD3 LYS A 415 86.305 23.330 37.265 1.00 0.06 H \nATOM 2875 HE2 LYS A 415 85.731 23.750 34.961 1.00 0.11 H \nATOM 2876 HE3 LYS A 415 84.040 24.167 35.402 1.00 0.11 H \nATOM 2877 HZ1 LYS A 415 86.450 25.656 36.242 1.00 0.34 H \nATOM 2878 HZ2 LYS A 415 85.399 26.123 35.064 1.00 0.34 H \nATOM 2879 HZ3 LYS A 415 84.897 26.042 36.630 1.00 0.34 H \nATOM 2880 H LYS A 415 83.889 22.541 40.602 1.00 0.27 H \nATOM 2881 N PHE A 416 81.047 20.378 38.592 1.00 -0.42 N \nATOM 2882 CA PHE A 416 80.289 19.158 38.860 1.00 -0.00 C \nATOM 2883 C PHE A 416 80.260 18.263 37.628 1.00 0.60 C \nATOM 2884 O PHE A 416 80.270 18.750 36.490 1.00 -0.57 O \nATOM 2885 CB PHE A 416 78.866 19.509 39.301 1.00 -0.03 C \nATOM 2886 CG PHE A 416 78.798 20.112 40.663 1.00 0.01 C \nATOM 2887 CD1 PHE A 416 79.018 21.479 40.848 1.00 -0.13 C \nATOM 2888 CD2 PHE A 416 78.537 19.310 41.783 1.00 -0.13 C \nATOM 2889 CE1 PHE A 416 78.958 22.040 42.131 1.00 -0.17 C \nATOM 2890 CE2 PHE A 416 78.490 19.867 43.056 1.00 -0.17 C \nATOM 2891 CZ PHE A 416 78.698 21.229 43.230 1.00 -0.11 C \nATOM 2892 HA PHE A 416 80.784 18.611 39.676 1.00 0.10 H \nATOM 2893 HB2 PHE A 416 78.445 20.226 38.581 1.00 0.03 H \nATOM 2894 HB3 PHE A 416 78.263 18.589 39.297 1.00 0.03 H \nATOM 2895 HD2 PHE A 416 78.370 18.247 41.655 1.00 0.13 H \nATOM 2896 HE2 PHE A 416 78.290 19.237 43.915 1.00 0.14 H \nATOM 2897 HZ PHE A 416 78.658 21.660 44.224 1.00 0.13 H \nATOM 2898 HE1 PHE A 416 79.114 23.104 42.266 1.00 0.14 H \nATOM 2899 HD1 PHE A 416 79.236 22.110 39.994 1.00 0.13 H \nATOM 2900 H PHE A 416 80.726 21.008 37.885 1.00 0.27 H \nATOM 2901 N SER A 417 80.234 16.959 37.848 1.00 -0.42 N \nATOM 2902 CA SER A 417 80.155 16.009 36.745 1.00 -0.02 C \nATOM 2903 C SER A 417 79.457 14.759 37.268 1.00 0.60 C \nATOM 2904 O SER A 417 79.128 14.703 38.447 1.00 -0.57 O \nATOM 2905 CB SER A 417 81.559 15.658 36.253 1.00 0.21 C \nATOM 2906 OG SER A 417 82.209 14.854 37.218 1.00 -0.65 O \nATOM 2907 HA SER A 417 79.576 16.443 35.917 1.00 0.08 H \nATOM 2908 HB2 SER A 417 81.488 15.106 35.304 1.00 0.04 H \nATOM 2909 HB3 SER A 417 82.135 16.582 36.098 1.00 0.04 H \nATOM 2910 HG SER A 417 83.082 14.636 36.912 1.00 0.43 H \nATOM 2911 H SER A 417 80.269 16.619 38.788 1.00 0.27 H \nATOM 2912 N ILE A 418 79.253 13.746 36.429 1.00 -0.42 N \nATOM 2913 CA ILE A 418 78.692 12.510 36.952 1.00 -0.06 C \nATOM 2914 C ILE A 418 79.641 11.878 37.990 1.00 0.60 C \nATOM 2915 O ILE A 418 79.199 11.149 38.901 1.00 -0.57 O \nATOM 2916 CB ILE A 418 78.332 11.505 35.836 1.00 0.13 C \nATOM 2917 CG1 ILE A 418 77.568 10.306 36.419 1.00 -0.04 C \nATOM 2918 CG2 ILE A 418 79.581 11.047 35.103 1.00 -0.32 C \nATOM 2919 CD1 ILE A 418 76.126 10.659 36.911 1.00 -0.07 C \nATOM 2920 HA ILE A 418 77.757 12.768 37.471 1.00 0.09 H \nATOM 2921 HB ILE A 418 77.676 12.012 35.113 1.00 0.02 H \nATOM 2922 HG12 ILE A 418 77.490 9.532 35.641 1.00 0.02 H \nATOM 2923 HG13 ILE A 418 78.139 9.912 37.272 1.00 0.02 H \nATOM 2924 HD11 ILE A 418 75.538 11.055 36.070 1.00 0.02 H \nATOM 2925 HD12 ILE A 418 75.641 9.753 37.304 1.00 0.02 H \nATOM 2926 HD13 ILE A 418 76.185 11.417 37.706 1.00 0.02 H \nATOM 2927 HG21 ILE A 418 80.270 10.569 35.815 1.00 0.09 H \nATOM 2928 HG22 ILE A 418 79.303 10.325 34.321 1.00 0.09 H \nATOM 2929 HG23 ILE A 418 80.075 11.915 34.642 1.00 0.09 H \nATOM 2930 H ILE A 418 79.481 13.833 35.459 1.00 0.27 H \nATOM 2931 N LYS A 419 80.930 12.159 37.847 1.00 -0.35 N \nATOM 2932 CA LYS A 419 81.943 11.687 38.781 1.00 -0.24 C \nATOM 2933 C LYS A 419 81.744 12.263 40.178 1.00 0.73 C \nATOM 2934 O LYS A 419 81.945 11.574 41.170 1.00 -0.59 O \nATOM 2935 CB LYS A 419 83.345 12.005 38.267 1.00 -0.01 C \nATOM 2936 CG LYS A 419 83.833 11.065 37.180 1.00 0.02 C \nATOM 2937 CD LYS A 419 83.240 9.676 37.329 1.00 -0.05 C \nATOM 2938 CE LYS A 419 83.838 8.721 36.312 1.00 -0.01 C \nATOM 2939 NZ LYS A 419 83.295 7.344 36.436 1.00 -0.39 N \nATOM 2940 HA LYS A 419 81.848 10.594 38.853 1.00 0.14 H \nATOM 2941 HB2 LYS A 419 83.341 13.028 37.863 1.00 0.04 H \nATOM 2942 HB3 LYS A 419 84.045 11.947 39.114 1.00 0.04 H \nATOM 2943 HG2 LYS A 419 83.544 11.473 36.200 1.00 0.01 H \nATOM 2944 HG3 LYS A 419 84.929 10.992 37.238 1.00 0.01 H \nATOM 2945 HD2 LYS A 419 83.450 9.301 38.342 1.00 0.06 H \nATOM 2946 HD3 LYS A 419 82.152 9.730 37.176 1.00 0.06 H \nATOM 2947 HE2 LYS A 419 83.617 9.098 35.302 1.00 0.11 H \nATOM 2948 HE3 LYS A 419 84.927 8.685 36.460 1.00 0.11 H \nATOM 2949 HZ1 LYS A 419 82.296 7.364 36.304 1.00 0.34 H \nATOM 2950 HZ2 LYS A 419 83.715 6.753 35.736 1.00 0.34 H \nATOM 2951 HZ3 LYS A 419 83.506 6.981 37.352 1.00 0.34 H \nATOM 2952 H LYS A 419 81.217 12.716 37.068 1.00 0.27 H \nATOM 2953 N SER A 420 81.364 13.534 40.248 1.00 -0.42 N \nATOM 2954 CA SER A 420 81.073 14.172 41.525 1.00 -0.02 C \nATOM 2955 C SER A 420 79.892 13.484 42.203 1.00 0.60 C \nATOM 2956 O SER A 420 79.872 13.327 43.415 1.00 -0.57 O \nATOM 2957 CB SER A 420 80.813 15.669 41.360 1.00 0.21 C \nATOM 2958 OG SER A 420 79.661 15.912 40.583 1.00 -0.65 O \nATOM 2959 HA SER A 420 81.955 14.053 42.172 1.00 0.08 H \nATOM 2960 HB2 SER A 420 80.675 16.119 42.354 1.00 0.04 H \nATOM 2961 HB3 SER A 420 81.681 16.130 40.866 1.00 0.04 H \nATOM 2962 HG SER A 420 79.527 16.849 40.499 1.00 0.43 H \nATOM 2963 H SER A 420 81.276 14.065 39.405 1.00 0.27 H \nATOM 2964 N ASP A 421 78.903 13.090 41.410 1.00 -0.52 N \nATOM 2965 CA ASP A 421 77.767 12.335 41.917 1.00 0.04 C \nATOM 2966 C ASP A 421 78.219 10.991 42.471 1.00 0.54 C \nATOM 2967 O ASP A 421 77.711 10.531 43.485 1.00 -0.58 O \nATOM 2968 CB ASP A 421 76.726 12.121 40.820 1.00 -0.03 C \nATOM 2969 CG ASP A 421 75.772 13.284 40.687 1.00 0.80 C \nATOM 2970 OD1 ASP A 421 75.745 14.150 41.578 1.00 -0.80 O \nATOM 2971 OD2 ASP A 421 75.044 13.331 39.684 1.00 -0.80 O \nATOM 2972 HA ASP A 421 77.303 12.911 42.731 1.00 0.09 H \nATOM 2973 HB2 ASP A 421 77.248 11.983 39.862 1.00 -0.01 H \nATOM 2974 HB3 ASP A 421 76.147 11.216 41.056 1.00 -0.01 H \nATOM 2975 H ASP A 421 78.940 13.318 40.437 1.00 0.29 H \nATOM 2976 N VAL A 422 79.167 10.361 41.788 1.00 -0.42 N \nATOM 2977 CA VAL A 422 79.714 9.095 42.241 1.00 -0.09 C \nATOM 2978 C VAL A 422 80.351 9.268 43.608 1.00 0.60 C \nATOM 2979 O VAL A 422 80.189 8.421 44.489 1.00 -0.57 O \nATOM 2980 CB VAL A 422 80.751 8.493 41.255 1.00 0.30 C \nATOM 2981 CG1 VAL A 422 81.496 7.300 41.922 1.00 -0.32 C \nATOM 2982 CG2 VAL A 422 80.057 8.080 39.947 1.00 -0.32 C \nATOM 2983 HA VAL A 422 78.881 8.382 42.332 1.00 0.10 H \nATOM 2984 HB VAL A 422 81.494 9.268 41.016 1.00 -0.03 H \nATOM 2985 HG11 VAL A 422 80.768 6.527 42.209 1.00 0.08 H \nATOM 2986 HG12 VAL A 422 82.220 6.876 41.211 1.00 0.08 H \nATOM 2987 HG13 VAL A 422 82.027 7.654 42.818 1.00 0.08 H \nATOM 2988 HG21 VAL A 422 79.581 8.960 39.491 1.00 0.08 H \nATOM 2989 HG22 VAL A 422 80.802 7.665 39.252 1.00 0.08 H \nATOM 2990 HG23 VAL A 422 79.292 7.319 40.162 1.00 0.08 H \nATOM 2991 H VAL A 422 79.512 10.768 40.942 1.00 0.27 H \nATOM 2992 N TRP A 423 81.070 10.372 43.797 1.00 -0.42 N \nATOM 2993 CA TRP A 423 81.656 10.660 45.108 1.00 -0.03 C \nATOM 2994 C TRP A 423 80.550 10.705 46.179 1.00 0.60 C \nATOM 2995 O TRP A 423 80.674 10.104 47.248 1.00 -0.57 O \nATOM 2996 CB TRP A 423 82.418 11.992 45.106 1.00 -0.01 C \nATOM 2997 CG TRP A 423 83.034 12.326 46.442 1.00 -0.14 C \nATOM 2998 CD1 TRP A 423 82.379 12.741 47.577 1.00 -0.16 C \nATOM 2999 CD2 TRP A 423 84.441 12.296 46.779 1.00 0.12 C \nATOM 3000 NE1 TRP A 423 83.287 12.949 48.598 1.00 -0.34 N \nATOM 3001 CE2 TRP A 423 84.553 12.689 48.134 1.00 0.14 C \nATOM 3002 CE3 TRP A 423 85.607 11.980 46.058 1.00 -0.24 C \nATOM 3003 CZ2 TRP A 423 85.790 12.767 48.795 1.00 -0.26 C \nATOM 3004 CZ3 TRP A 423 86.848 12.057 46.714 1.00 -0.20 C \nATOM 3005 CH2 TRP A 423 86.924 12.443 48.077 1.00 -0.11 C \nATOM 3006 HA TRP A 423 82.361 9.854 45.359 1.00 0.11 H \nATOM 3007 HB2 TRP A 423 83.220 11.935 44.356 1.00 0.03 H \nATOM 3008 HB3 TRP A 423 81.718 12.795 44.833 1.00 0.03 H \nATOM 3009 HE1 TRP A 423 83.052 13.251 49.554 1.00 0.34 H \nATOM 3010 HD1 TRP A 423 81.303 12.885 47.660 1.00 0.21 H \nATOM 3011 HZ2 TRP A 423 85.852 13.071 49.834 1.00 0.16 H \nATOM 3012 HH2 TRP A 423 87.891 12.484 48.564 1.00 0.14 H \nATOM 3013 HZ3 TRP A 423 87.756 11.819 46.173 1.00 0.14 H \nATOM 3014 HE3 TRP A 423 85.550 11.683 45.017 1.00 0.17 H \nATOM 3015 H TRP A 423 81.211 11.009 43.039 1.00 0.27 H \nATOM 3016 N ALA A 424 79.494 11.457 45.896 1.00 -0.42 N \nATOM 3017 CA ALA A 424 78.437 11.687 46.873 1.00 0.03 C \nATOM 3018 C ALA A 424 77.747 10.374 47.125 1.00 0.60 C \nATOM 3019 O ALA A 424 77.331 10.100 48.237 1.00 -0.57 O \nATOM 3020 CB ALA A 424 77.431 12.731 46.349 1.00 -0.18 C \nATOM 3021 HA ALA A 424 78.879 12.056 47.811 1.00 0.08 H \nATOM 3022 HB1 ALA A 424 76.643 12.890 47.100 1.00 0.06 H \nATOM 3023 HB2 ALA A 424 77.953 13.680 46.159 1.00 0.06 H \nATOM 3024 HB3 ALA A 424 76.979 12.368 45.414 1.00 0.06 H \nATOM 3025 H ALA A 424 79.422 11.876 44.991 1.00 0.27 H \nATOM 3026 N PHE A 425 77.642 9.544 46.088 1.00 -0.42 N \nATOM 3027 CA PHE A 425 77.002 8.259 46.271 1.00 -0.00 C \nATOM 3028 C PHE A 425 77.812 7.430 47.289 1.00 0.60 C \nATOM 3029 O PHE A 425 77.250 6.680 48.094 1.00 -0.57 O \nATOM 3030 CB PHE A 425 76.881 7.524 44.947 1.00 -0.03 C \nATOM 3031 CG PHE A 425 76.363 6.117 45.089 1.00 0.01 C \nATOM 3032 CD1 PHE A 425 74.986 5.873 45.201 1.00 -0.13 C \nATOM 3033 CD2 PHE A 425 77.235 5.039 45.131 1.00 -0.13 C \nATOM 3034 CE1 PHE A 425 74.500 4.581 45.335 1.00 -0.17 C \nATOM 3035 CE2 PHE A 425 76.745 3.735 45.264 1.00 -0.17 C \nATOM 3036 CZ PHE A 425 75.373 3.511 45.368 1.00 -0.11 C \nATOM 3037 HA PHE A 425 75.991 8.421 46.672 1.00 0.10 H \nATOM 3038 HB2 PHE A 425 76.192 8.085 44.298 1.00 0.03 H \nATOM 3039 HB3 PHE A 425 77.875 7.484 44.478 1.00 0.03 H \nATOM 3040 HD2 PHE A 425 78.303 5.208 45.060 1.00 0.13 H \nATOM 3041 HE2 PHE A 425 77.433 2.898 45.286 1.00 0.14 H \nATOM 3042 HZ PHE A 425 74.993 2.501 45.474 1.00 0.13 H \nATOM 3043 HE1 PHE A 425 73.432 4.410 45.414 1.00 0.14 H \nATOM 3044 HD1 PHE A 425 74.292 6.706 45.183 1.00 0.13 H \nATOM 3045 H PHE A 425 78.002 9.806 45.193 1.00 0.27 H \nATOM 3046 N GLY A 426 79.137 7.584 47.261 1.00 -0.42 N \nATOM 3047 CA GLY A 426 79.995 6.928 48.232 1.00 -0.03 C \nATOM 3048 C GLY A 426 79.651 7.364 49.649 1.00 0.60 C \nATOM 3049 O GLY A 426 79.647 6.567 50.584 1.00 -0.57 O \nATOM 3050 HA3 GLY A 426 79.864 5.839 48.149 1.00 0.07 H \nATOM 3051 HA2 GLY A 426 81.042 7.189 48.020 1.00 0.07 H \nATOM 3052 H GLY A 426 79.548 8.163 46.557 1.00 0.27 H \nATOM 3053 N VAL A 427 79.382 8.648 49.825 1.00 -0.42 N \nATOM 3054 CA VAL A 427 79.041 9.141 51.144 1.00 -0.09 C \nATOM 3055 C VAL A 427 77.668 8.579 51.540 1.00 0.60 C \nATOM 3056 O VAL A 427 77.464 8.165 52.685 1.00 -0.57 O \nATOM 3057 CB VAL A 427 79.070 10.685 51.164 1.00 0.30 C \nATOM 3058 CG1 VAL A 427 78.638 11.220 52.526 1.00 -0.32 C \nATOM 3059 CG2 VAL A 427 80.494 11.191 50.820 1.00 -0.32 C \nATOM 3060 HA VAL A 427 79.788 8.775 51.864 1.00 0.10 H \nATOM 3061 HB VAL A 427 78.369 11.059 50.403 1.00 -0.03 H \nATOM 3062 HG11 VAL A 427 79.315 10.835 53.303 1.00 0.08 H \nATOM 3063 HG12 VAL A 427 78.677 12.319 52.517 1.00 0.08 H \nATOM 3064 HG13 VAL A 427 77.610 10.891 52.740 1.00 0.08 H \nATOM 3065 HG21 VAL A 427 80.781 10.827 49.822 1.00 0.08 H \nATOM 3066 HG22 VAL A 427 80.504 12.291 50.826 1.00 0.08 H \nATOM 3067 HG23 VAL A 427 81.208 10.814 51.567 1.00 0.08 H \nATOM 3068 H VAL A 427 79.414 9.277 49.048 1.00 0.27 H \nATOM 3069 N LEU A 428 76.744 8.530 50.582 1.00 -0.42 N \nATOM 3070 CA LEU A 428 75.432 7.919 50.806 1.00 -0.05 C \nATOM 3071 C LEU A 428 75.563 6.452 51.244 1.00 0.60 C \nATOM 3072 O LEU A 428 74.880 6.028 52.185 1.00 -0.57 O \nATOM 3073 CB LEU A 428 74.532 8.096 49.568 1.00 -0.11 C \nATOM 3074 CG LEU A 428 73.139 7.445 49.448 1.00 0.35 C \nATOM 3075 CD1 LEU A 428 72.329 7.554 50.724 1.00 -0.41 C \nATOM 3076 CD2 LEU A 428 72.361 8.098 48.265 1.00 -0.41 C \nATOM 3077 HA LEU A 428 74.953 8.461 51.635 1.00 0.09 H \nATOM 3078 HB2 LEU A 428 74.372 9.179 49.461 1.00 0.05 H \nATOM 3079 HB3 LEU A 428 75.116 7.725 48.712 1.00 0.05 H \nATOM 3080 HG LEU A 428 73.280 6.377 49.227 1.00 -0.04 H \nATOM 3081 HD21 LEU A 428 72.924 7.954 47.331 1.00 0.10 H \nATOM 3082 HD22 LEU A 428 71.371 7.627 48.173 1.00 0.10 H \nATOM 3083 HD23 LEU A 428 72.238 9.174 48.457 1.00 0.10 H \nATOM 3084 HD11 LEU A 428 72.193 8.614 50.982 1.00 0.10 H \nATOM 3085 HD12 LEU A 428 71.346 7.083 50.576 1.00 0.10 H \nATOM 3086 HD13 LEU A 428 72.861 7.043 51.540 1.00 0.10 H \nATOM 3087 H LEU A 428 76.952 8.921 49.685 1.00 0.27 H \nATOM 3088 N LEU A 429 76.449 5.683 50.605 1.00 -0.42 N \nATOM 3089 CA LEU A 429 76.640 4.293 51.027 1.00 -0.05 C \nATOM 3090 C LEU A 429 77.060 4.244 52.492 1.00 0.60 C \nATOM 3091 O LEU A 429 76.599 3.387 53.268 1.00 -0.57 O \nATOM 3092 CB LEU A 429 77.718 3.576 50.192 1.00 -0.11 C \nATOM 3093 CG LEU A 429 77.438 3.058 48.777 1.00 0.35 C \nATOM 3094 CD1 LEU A 429 78.698 2.356 48.239 1.00 -0.41 C \nATOM 3095 CD2 LEU A 429 76.238 2.084 48.764 1.00 -0.41 C \nATOM 3096 HA LEU A 429 75.686 3.759 50.907 1.00 0.09 H \nATOM 3097 HB2 LEU A 429 78.557 4.282 50.101 1.00 0.05 H \nATOM 3098 HB3 LEU A 429 78.035 2.703 50.782 1.00 0.05 H \nATOM 3099 HG LEU A 429 77.201 3.914 48.128 1.00 -0.04 H \nATOM 3100 HD21 LEU A 429 75.343 2.600 49.141 1.00 0.10 H \nATOM 3101 HD22 LEU A 429 76.057 1.739 47.735 1.00 0.10 H \nATOM 3102 HD23 LEU A 429 76.461 1.220 49.407 1.00 0.10 H \nATOM 3103 HD11 LEU A 429 78.963 1.520 48.902 1.00 0.10 H \nATOM 3104 HD12 LEU A 429 78.500 1.973 47.227 1.00 0.10 H \nATOM 3105 HD13 LEU A 429 79.531 3.074 48.203 1.00 0.10 H \nATOM 3106 H LEU A 429 76.979 6.054 49.843 1.00 0.27 H \nATOM 3107 N TRP A 430 77.966 5.147 52.868 1.00 -0.42 N \nATOM 3108 CA TRP A 430 78.415 5.200 54.254 1.00 -0.03 C \nATOM 3109 C TRP A 430 77.252 5.570 55.204 1.00 0.60 C \nATOM 3110 O TRP A 430 77.147 5.045 56.324 1.00 -0.57 O \nATOM 3111 CB TRP A 430 79.582 6.177 54.400 1.00 -0.01 C \nATOM 3112 CG TRP A 430 80.224 6.215 55.760 1.00 -0.14 C \nATOM 3113 CD1 TRP A 430 81.371 5.557 56.157 1.00 -0.16 C \nATOM 3114 CD2 TRP A 430 79.798 6.988 56.896 1.00 0.12 C \nATOM 3115 NE1 TRP A 430 81.666 5.869 57.474 1.00 -0.34 N \nATOM 3116 CE2 TRP A 430 80.724 6.747 57.944 1.00 0.14 C \nATOM 3117 CE3 TRP A 430 78.740 7.870 57.125 1.00 -0.24 C \nATOM 3118 CZ2 TRP A 430 80.607 7.349 59.200 1.00 -0.26 C \nATOM 3119 CZ3 TRP A 430 78.620 8.459 58.378 1.00 -0.20 C \nATOM 3120 CH2 TRP A 430 79.557 8.198 59.396 1.00 -0.11 C \nATOM 3121 HA TRP A 430 78.773 4.198 54.534 1.00 0.11 H \nATOM 3122 HB2 TRP A 430 80.354 5.896 53.668 1.00 0.03 H \nATOM 3123 HB3 TRP A 430 79.210 7.187 54.172 1.00 0.03 H \nATOM 3124 HE1 TRP A 430 82.463 5.501 58.012 1.00 0.34 H \nATOM 3125 HD1 TRP A 430 81.958 4.890 55.527 1.00 0.21 H \nATOM 3126 HZ2 TRP A 430 81.323 7.149 59.989 1.00 0.16 H \nATOM 3127 HH2 TRP A 430 79.441 8.683 60.358 1.00 0.14 H \nATOM 3128 HZ3 TRP A 430 77.792 9.130 58.575 1.00 0.14 H \nATOM 3129 HE3 TRP A 430 78.026 8.091 56.340 1.00 0.17 H \nATOM 3130 H TRP A 430 78.338 5.789 52.198 1.00 0.27 H \nATOM 3131 N GLU A 431 76.399 6.497 54.778 1.00 -0.52 N \nATOM 3132 CA GLU A 431 75.222 6.824 55.573 1.00 0.04 C \nATOM 3133 C GLU A 431 74.368 5.565 55.730 1.00 0.54 C \nATOM 3134 O GLU A 431 73.776 5.319 56.787 1.00 -0.58 O \nATOM 3135 CB GLU A 431 74.376 7.893 54.903 1.00 0.06 C \nATOM 3136 CG GLU A 431 75.033 9.232 54.751 1.00 0.01 C \nATOM 3137 CD GLU A 431 74.032 10.295 54.224 1.00 0.81 C \nATOM 3138 OE1 GLU A 431 73.405 10.990 55.069 1.00 -0.82 O \nATOM 3139 OE2 GLU A 431 73.841 10.393 52.977 1.00 -0.82 O \nATOM 3140 HA GLU A 431 75.543 7.182 56.562 1.00 0.11 H \nATOM 3141 HB2 GLU A 431 74.105 7.532 53.900 1.00 -0.02 H \nATOM 3142 HB3 GLU A 431 73.464 8.029 55.502 1.00 -0.02 H \nATOM 3143 HG2 GLU A 431 75.417 9.556 55.730 1.00 -0.04 H \nATOM 3144 HG3 GLU A 431 75.868 9.143 54.040 1.00 -0.04 H \nATOM 3145 H GLU A 431 76.565 6.970 53.912 1.00 0.29 H \nATOM 3146 N ILE A 432 74.293 4.768 54.673 1.00 -0.42 N \nATOM 3147 CA ILE A 432 73.472 3.573 54.736 1.00 -0.06 C \nATOM 3148 C ILE A 432 74.110 2.560 55.693 1.00 0.60 C \nATOM 3149 O ILE A 432 73.440 2.045 56.590 1.00 -0.57 O \nATOM 3150 CB ILE A 432 73.258 2.973 53.342 1.00 0.13 C \nATOM 3151 CG1 ILE A 432 72.315 3.891 52.546 1.00 -0.04 C \nATOM 3152 CG2 ILE A 432 72.634 1.567 53.458 1.00 -0.32 C \nATOM 3153 CD1 ILE A 432 72.193 3.528 51.050 1.00 -0.07 C \nATOM 3154 HA ILE A 432 72.487 3.852 55.138 1.00 0.09 H \nATOM 3155 HB ILE A 432 74.225 2.900 52.823 1.00 0.02 H \nATOM 3156 HG12 ILE A 432 71.314 3.833 52.998 1.00 0.02 H \nATOM 3157 HG13 ILE A 432 72.692 4.922 52.621 1.00 0.02 H \nATOM 3158 HD11 ILE A 432 71.815 2.500 50.952 1.00 0.02 H \nATOM 3159 HD12 ILE A 432 71.496 4.223 50.560 1.00 0.02 H \nATOM 3160 HD13 ILE A 432 73.181 3.602 50.573 1.00 0.02 H \nATOM 3161 HG21 ILE A 432 71.669 1.636 53.982 1.00 0.09 H \nATOM 3162 HG22 ILE A 432 72.476 1.152 52.452 1.00 0.09 H \nATOM 3163 HG23 ILE A 432 73.312 0.911 54.023 1.00 0.09 H \nATOM 3164 H ILE A 432 74.798 4.989 53.839 1.00 0.27 H \nATOM 3165 N ALA A 433 75.414 2.306 55.526 1.00 -0.42 N \nATOM 3166 CA ALA A 433 76.108 1.332 56.348 1.00 0.03 C \nATOM 3167 C ALA A 433 76.014 1.669 57.821 1.00 0.60 C \nATOM 3168 O ALA A 433 76.050 0.774 58.639 1.00 -0.57 O \nATOM 3169 CB ALA A 433 77.596 1.208 55.927 1.00 -0.18 C \nATOM 3170 HA ALA A 433 75.625 0.356 56.192 1.00 0.08 H \nATOM 3171 HB1 ALA A 433 78.097 0.465 56.565 1.00 0.06 H \nATOM 3172 HB2 ALA A 433 77.654 0.888 54.876 1.00 0.06 H \nATOM 3173 HB3 ALA A 433 78.092 2.183 56.041 1.00 0.06 H \nATOM 3174 H ALA A 433 75.921 2.799 54.819 1.00 0.27 H \nATOM 3175 N THR A 434 75.943 2.953 58.167 1.00 -0.42 N \nATOM 3176 CA THR A 434 75.916 3.358 59.571 1.00 -0.04 C \nATOM 3177 C THR A 434 74.505 3.617 60.093 1.00 0.60 C \nATOM 3178 O THR A 434 74.343 4.144 61.195 1.00 -0.57 O \nATOM 3179 CB THR A 434 76.748 4.635 59.819 1.00 0.37 C \nATOM 3180 OG1 THR A 434 76.193 5.719 59.055 1.00 -0.68 O \nATOM 3181 CG2 THR A 434 78.268 4.414 59.458 1.00 -0.24 C \nATOM 3182 HA THR A 434 76.354 2.537 60.158 1.00 0.10 H \nATOM 3183 HB THR A 434 76.684 4.890 60.887 1.00 0.00 H \nATOM 3184 HG1 THR A 434 76.703 6.506 59.206 1.00 0.41 H \nATOM 3185 HG23 THR A 434 78.836 4.202 60.376 1.00 0.06 H \nATOM 3186 HG21 THR A 434 78.361 3.565 58.765 1.00 0.06 H \nATOM 3187 HG22 THR A 434 78.667 5.321 58.981 1.00 0.06 H \nATOM 3188 H THR A 434 75.908 3.653 57.453 1.00 0.27 H \nATOM 3189 N TYR A 435 73.497 3.318 59.279 1.00 -0.42 N \nATOM 3190 CA TYR A 435 72.114 3.600 59.661 1.00 -0.00 C \nATOM 3191 C TYR A 435 71.926 5.070 59.994 1.00 0.60 C \nATOM 3192 O TYR A 435 71.231 5.416 60.953 1.00 -0.57 O \nATOM 3193 CB TYR A 435 71.638 2.728 60.841 1.00 -0.02 C \nATOM 3194 CG TYR A 435 71.442 1.285 60.451 1.00 -0.00 C \nATOM 3195 CD1 TYR A 435 70.189 0.817 60.018 1.00 -0.19 C \nATOM 3196 CD2 TYR A 435 72.521 0.391 60.459 1.00 -0.19 C \nATOM 3197 CE1 TYR A 435 70.010 -0.509 59.627 1.00 -0.23 C \nATOM 3198 CE2 TYR A 435 72.359 -0.939 60.082 1.00 -0.23 C \nATOM 3199 CZ TYR A 435 71.110 -1.391 59.664 1.00 0.32 C \nATOM 3200 OH TYR A 435 70.962 -2.719 59.303 1.00 -0.56 O \nATOM 3201 HA TYR A 435 71.478 3.365 58.795 1.00 0.09 H \nATOM 3202 HB3 TYR A 435 72.390 2.778 61.642 1.00 0.03 H \nATOM 3203 HB2 TYR A 435 70.682 3.126 61.211 1.00 0.03 H \nATOM 3204 HD2 TYR A 435 73.500 0.742 60.764 1.00 0.17 H \nATOM 3205 HE2 TYR A 435 73.202 -1.620 60.114 1.00 0.17 H \nATOM 3206 HE1 TYR A 435 69.038 -0.858 59.299 1.00 0.17 H \nATOM 3207 HD1 TYR A 435 69.347 1.499 59.988 1.00 0.17 H \nATOM 3208 HH TYR A 435 70.063 -2.878 59.042 1.00 0.40 H \nATOM 3209 H TYR A 435 73.687 2.894 58.393 1.00 0.27 H \nATOM 3210 N GLY A 436 72.525 5.925 59.176 1.00 -0.42 N \nATOM 3211 CA GLY A 436 72.264 7.346 59.260 1.00 -0.03 C \nATOM 3212 C GLY A 436 73.097 8.135 60.243 1.00 0.60 C \nATOM 3213 O GLY A 436 72.613 9.123 60.807 1.00 -0.57 O \nATOM 3214 HA3 GLY A 436 72.433 7.775 58.261 1.00 0.07 H \nATOM 3215 HA2 GLY A 436 71.208 7.474 59.540 1.00 0.07 H \nATOM 3216 H GLY A 436 73.167 5.582 58.490 1.00 0.27 H \nATOM 3217 N MET A 437 74.339 7.710 60.472 1.00 -0.42 N \nATOM 3218 CA MET A 437 75.276 8.570 61.188 1.00 -0.02 C \nATOM 3219 C MET A 437 75.652 9.743 60.289 1.00 0.60 C \nATOM 3220 O MET A 437 75.594 9.650 59.056 1.00 -0.57 O \nATOM 3221 CB MET A 437 76.531 7.800 61.623 1.00 0.03 C \nATOM 3222 CG MET A 437 76.318 6.937 62.869 1.00 0.00 C \nATOM 3223 SD MET A 437 77.773 5.982 63.362 1.00 -0.27 S \nATOM 3224 CE MET A 437 79.072 7.172 63.078 1.00 -0.05 C \nATOM 3225 HA MET A 437 74.779 8.958 62.089 1.00 0.09 H \nATOM 3226 HB2 MET A 437 76.842 7.146 60.795 1.00 0.02 H \nATOM 3227 HB3 MET A 437 77.329 8.527 61.835 1.00 0.02 H \nATOM 3228 HG2 MET A 437 76.039 7.597 63.703 1.00 0.04 H \nATOM 3229 HG3 MET A 437 75.496 6.235 62.667 1.00 0.04 H \nATOM 3230 HE1 MET A 437 78.892 8.065 63.694 1.00 0.07 H \nATOM 3231 HE2 MET A 437 80.041 6.728 63.349 1.00 0.07 H \nATOM 3232 HE3 MET A 437 79.083 7.456 62.015 1.00 0.07 H \nATOM 3233 H MET A 437 74.628 6.807 60.155 1.00 0.27 H \nATOM 3234 N SER A 438 76.012 10.850 60.918 1.00 -0.42 N \nATOM 3235 CA SER A 438 76.536 12.005 60.221 1.00 -0.02 C \nATOM 3236 C SER A 438 77.982 11.692 59.801 1.00 0.60 C \nATOM 3237 O SER A 438 78.752 11.122 60.567 1.00 -0.57 O \nATOM 3238 CB SER A 438 76.489 13.222 61.147 1.00 0.21 C \nATOM 3239 OG SER A 438 76.931 14.384 60.464 1.00 -0.65 O \nATOM 3240 HA SER A 438 75.929 12.207 59.326 1.00 0.08 H \nATOM 3241 HB2 SER A 438 75.455 13.375 61.491 1.00 0.04 H \nATOM 3242 HB3 SER A 438 77.141 13.042 62.014 1.00 0.04 H \nATOM 3243 HG SER A 438 76.896 15.129 61.052 1.00 0.43 H \nATOM 3244 H SER A 438 75.918 10.890 61.913 1.00 0.27 H \nATOM 3245 N PRO A 439 78.352 12.032 58.568 1.00 -0.25 N \nATOM 3246 CA PRO A 439 79.706 11.687 58.107 1.00 -0.03 C \nATOM 3247 C PRO A 439 80.832 12.535 58.744 1.00 0.59 C \nATOM 3248 O PRO A 439 80.568 13.608 59.314 1.00 -0.57 O \nATOM 3249 CB PRO A 439 79.627 11.887 56.590 1.00 -0.01 C \nATOM 3250 CG PRO A 439 78.454 12.797 56.389 1.00 0.02 C \nATOM 3251 CD PRO A 439 77.489 12.535 57.486 1.00 0.02 C \nATOM 3252 HA PRO A 439 79.912 10.631 58.335 1.00 0.06 H \nATOM 3253 HD3 PRO A 439 76.746 11.780 57.188 1.00 0.04 H \nATOM 3254 HD2 PRO A 439 76.973 13.458 57.788 1.00 0.04 H \nATOM 3255 HG3 PRO A 439 77.982 12.591 55.417 1.00 0.02 H \nATOM 3256 HG2 PRO A 439 78.783 13.846 56.422 1.00 0.02 H \nATOM 3257 HB2 PRO A 439 80.549 12.352 56.211 1.00 0.03 H \nATOM 3258 HB3 PRO A 439 79.465 10.926 56.080 1.00 0.03 H \nATOM 3259 N TYR A 440 82.071 12.036 58.639 1.00 -0.42 N \nATOM 3260 CA TYR A 440 83.252 12.649 59.276 1.00 -0.00 C \nATOM 3261 C TYR A 440 82.951 13.071 60.716 1.00 0.60 C \nATOM 3262 O TYR A 440 83.089 14.253 61.083 1.00 -0.57 O \nATOM 3263 CB TYR A 440 83.762 13.833 58.438 1.00 -0.02 C \nATOM 3264 CG TYR A 440 84.045 13.453 56.999 1.00 -0.00 C \nATOM 3265 CD1 TYR A 440 83.077 13.628 56.009 1.00 -0.19 C \nATOM 3266 CD2 TYR A 440 85.273 12.878 56.628 1.00 -0.19 C \nATOM 3267 CE1 TYR A 440 83.325 13.263 54.677 1.00 -0.23 C \nATOM 3268 CE2 TYR A 440 85.530 12.508 55.301 1.00 -0.23 C \nATOM 3269 CZ TYR A 440 84.547 12.707 54.327 1.00 0.32 C \nATOM 3270 OH TYR A 440 84.778 12.352 53.010 1.00 -0.56 O \nATOM 3271 HA TYR A 440 84.049 11.892 59.309 1.00 0.09 H \nATOM 3272 HB3 TYR A 440 83.000 14.626 58.449 1.00 0.03 H \nATOM 3273 HB2 TYR A 440 84.690 14.211 58.891 1.00 0.03 H \nATOM 3274 HD2 TYR A 440 86.035 12.718 57.382 1.00 0.17 H \nATOM 3275 HE2 TYR A 440 86.484 12.070 55.032 1.00 0.17 H \nATOM 3276 HE1 TYR A 440 82.562 13.415 53.922 1.00 0.17 H \nATOM 3277 HD1 TYR A 440 82.116 14.054 56.274 1.00 0.17 H \nATOM 3278 HH TYR A 440 84.011 12.556 52.488 1.00 0.40 H \nATOM 3279 H TYR A 440 82.202 11.204 58.100 1.00 0.27 H \nATOM 3280 N PRO A 441 82.554 12.093 61.546 1.00 -0.25 N \nATOM 3281 CA PRO A 441 82.033 12.389 62.888 1.00 -0.03 C \nATOM 3282 C PRO A 441 82.989 13.258 63.668 1.00 0.59 C \nATOM 3283 O PRO A 441 84.169 12.911 63.749 1.00 -0.57 O \nATOM 3284 CB PRO A 441 81.944 11.008 63.565 1.00 -0.01 C \nATOM 3285 CG PRO A 441 81.882 10.023 62.433 1.00 0.02 C \nATOM 3286 CD PRO A 441 82.632 10.649 61.264 1.00 0.02 C \nATOM 3287 HA PRO A 441 81.047 12.873 62.830 1.00 0.06 H \nATOM 3288 HD3 PRO A 441 82.144 10.407 60.308 1.00 0.04 H \nATOM 3289 HD2 PRO A 441 83.678 10.308 61.239 1.00 0.04 H \nATOM 3290 HG3 PRO A 441 80.835 9.833 62.153 1.00 0.02 H \nATOM 3291 HG2 PRO A 441 82.361 9.077 62.727 1.00 0.02 H \nATOM 3292 HB2 PRO A 441 82.832 10.825 64.188 1.00 0.03 H \nATOM 3293 HB3 PRO A 441 81.039 10.940 64.187 1.00 0.03 H \nATOM 3294 N GLY A 442 82.487 14.349 64.243 1.00 -0.42 N \nATOM 3295 CA GLY A 442 83.280 15.160 65.140 1.00 -0.03 C \nATOM 3296 C GLY A 442 84.326 15.992 64.419 1.00 0.60 C \nATOM 3297 O GLY A 442 85.027 16.795 65.046 1.00 -0.57 O \nATOM 3298 HA3 GLY A 442 82.608 15.838 65.686 1.00 0.07 H \nATOM 3299 HA2 GLY A 442 83.791 14.497 65.854 1.00 0.07 H \nATOM 3300 H GLY A 442 81.542 14.613 64.051 1.00 0.27 H \nATOM 3301 N ILE A 443 84.430 15.827 63.104 1.00 -0.42 N \nATOM 3302 CA ILE A 443 85.383 16.622 62.336 1.00 -0.06 C \nATOM 3303 C ILE A 443 84.723 17.888 61.781 1.00 0.60 C \nATOM 3304 O ILE A 443 83.755 17.817 61.026 1.00 -0.57 O \nATOM 3305 CB ILE A 443 86.040 15.789 61.199 1.00 0.13 C \nATOM 3306 CG1 ILE A 443 86.781 14.584 61.805 1.00 -0.04 C \nATOM 3307 CG2 ILE A 443 86.992 16.666 60.377 1.00 -0.32 C \nATOM 3308 CD1 ILE A 443 87.154 13.510 60.786 1.00 -0.07 C \nATOM 3309 HA ILE A 443 86.183 16.936 63.023 1.00 0.09 H \nATOM 3310 HB ILE A 443 85.249 15.415 60.533 1.00 0.02 H \nATOM 3311 HG12 ILE A 443 87.705 14.948 62.278 1.00 0.02 H \nATOM 3312 HG13 ILE A 443 86.133 14.127 62.568 1.00 0.02 H \nATOM 3313 HD11 ILE A 443 87.804 13.947 60.014 1.00 0.02 H \nATOM 3314 HD12 ILE A 443 87.686 12.692 61.294 1.00 0.02 H \nATOM 3315 HD13 ILE A 443 86.240 13.117 60.317 1.00 0.02 H \nATOM 3316 HG21 ILE A 443 87.775 17.072 61.034 1.00 0.09 H \nATOM 3317 HG22 ILE A 443 87.456 16.061 59.584 1.00 0.09 H \nATOM 3318 HG23 ILE A 443 86.428 17.494 59.923 1.00 0.09 H \nATOM 3319 H ILE A 443 83.853 15.155 62.639 1.00 0.27 H \nATOM 3320 N ASP A 444 85.257 19.041 62.156 1.00 -0.52 N \nATOM 3321 CA ASP A 444 84.698 20.331 61.755 1.00 0.04 C \nATOM 3322 C ASP A 444 84.752 20.538 60.256 1.00 0.54 C \nATOM 3323 O ASP A 444 85.752 20.208 59.609 1.00 -0.58 O \nATOM 3324 CB ASP A 444 85.459 21.461 62.429 1.00 -0.03 C \nATOM 3325 CG ASP A 444 86.959 21.343 62.228 1.00 0.80 C \nATOM 3326 OD1 ASP A 444 87.540 20.298 62.627 1.00 -0.80 O \nATOM 3327 OD2 ASP A 444 87.551 22.292 61.661 1.00 -0.80 O \nATOM 3328 HA ASP A 444 83.646 20.366 62.076 1.00 0.09 H \nATOM 3329 HB2 ASP A 444 85.119 22.418 62.007 1.00 -0.01 H \nATOM 3330 HB3 ASP A 444 85.243 21.439 63.507 1.00 -0.01 H \nATOM 3331 H ASP A 444 86.072 19.028 62.735 1.00 0.29 H \nATOM 3332 N LEU A 445 83.678 21.113 59.719 1.00 -0.42 N \nATOM 3333 CA LEU A 445 83.526 21.320 58.280 1.00 -0.05 C \nATOM 3334 C LEU A 445 84.744 21.978 57.633 1.00 0.60 C \nATOM 3335 O LEU A 445 85.117 21.652 56.508 1.00 -0.57 O \nATOM 3336 CB LEU A 445 82.314 22.207 58.028 1.00 -0.11 C \nATOM 3337 CG LEU A 445 80.974 21.526 58.272 1.00 0.35 C \nATOM 3338 CD1 LEU A 445 79.859 22.565 58.372 1.00 -0.41 C \nATOM 3339 CD2 LEU A 445 80.710 20.531 57.147 1.00 -0.41 C \nATOM 3340 HA LEU A 445 83.365 20.341 57.805 1.00 0.09 H \nATOM 3341 HB2 LEU A 445 82.382 23.080 58.694 1.00 0.05 H \nATOM 3342 HB3 LEU A 445 82.344 22.541 56.980 1.00 0.05 H \nATOM 3343 HG LEU A 445 81.022 20.976 59.224 1.00 -0.04 H \nATOM 3344 HD21 LEU A 445 81.516 19.783 57.122 1.00 0.10 H \nATOM 3345 HD22 LEU A 445 79.748 20.027 57.321 1.00 0.10 H \nATOM 3346 HD23 LEU A 445 80.675 21.065 56.186 1.00 0.10 H \nATOM 3347 HD11 LEU A 445 79.812 23.143 57.437 1.00 0.10 H \nATOM 3348 HD12 LEU A 445 78.898 22.057 58.538 1.00 0.10 H \nATOM 3349 HD13 LEU A 445 80.065 23.244 59.213 1.00 0.10 H \nATOM 3350 H LEU A 445 82.944 21.416 60.326 1.00 0.27 H \nATOM 3351 N SER A 446 85.352 22.904 58.361 1.00 -0.42 N \nATOM 3352 CA SER A 446 86.397 23.743 57.810 1.00 -0.02 C \nATOM 3353 C SER A 446 87.676 22.946 57.575 1.00 0.60 C \nATOM 3354 O SER A 446 88.542 23.361 56.801 1.00 -0.57 O \nATOM 3355 CB SER A 446 86.659 24.916 58.756 1.00 0.21 C \nATOM 3356 OG SER A 446 86.515 24.481 60.098 1.00 -0.65 O \nATOM 3357 HA SER A 446 86.054 24.140 56.843 1.00 0.08 H \nATOM 3358 HB2 SER A 446 87.681 25.292 58.600 1.00 0.04 H \nATOM 3359 HB3 SER A 446 85.937 25.720 58.552 1.00 0.04 H \nATOM 3360 HG SER A 446 86.678 25.209 60.686 1.00 0.43 H \nATOM 3361 H SER A 446 85.082 23.027 59.316 1.00 0.27 H \nATOM 3362 N GLN A 447 87.808 21.811 58.251 1.00 -0.42 N \nATOM 3363 CA GLN A 447 89.016 21.013 58.077 1.00 -0.00 C \nATOM 3364 C GLN A 447 88.869 19.869 57.076 1.00 0.60 C \nATOM 3365 O GLN A 447 89.866 19.218 56.735 1.00 -0.57 O \nATOM 3366 CB GLN A 447 89.547 20.523 59.434 1.00 -0.00 C \nATOM 3367 CG GLN A 447 90.079 21.675 60.308 1.00 -0.06 C \nATOM 3368 CD GLN A 447 90.911 21.205 61.486 1.00 0.70 C \nATOM 3369 OE1 GLN A 447 92.060 20.715 61.327 1.00 -0.61 O \nATOM 3370 NE2 GLN A 447 90.350 21.381 62.696 1.00 -0.94 N \nATOM 3371 HA GLN A 447 89.778 21.689 57.661 1.00 0.09 H \nATOM 3372 HB2 GLN A 447 88.730 20.020 59.972 1.00 0.02 H \nATOM 3373 HB3 GLN A 447 90.364 19.808 59.256 1.00 0.02 H \nATOM 3374 HG2 GLN A 447 90.702 22.329 59.681 1.00 0.04 H \nATOM 3375 HG3 GLN A 447 89.221 22.245 60.693 1.00 0.04 H \nATOM 3376 HE22 GLN A 447 90.839 21.095 63.520 1.00 0.43 H \nATOM 3377 HE21 GLN A 447 89.444 21.797 62.771 1.00 0.43 H \nATOM 3378 H GLN A 447 87.087 21.507 58.873 1.00 0.27 H \nATOM 3379 N VAL A 448 87.656 19.655 56.560 1.00 -0.42 N \nATOM 3380 CA VAL A 448 87.427 18.471 55.730 1.00 -0.09 C \nATOM 3381 C VAL A 448 88.200 18.435 54.407 1.00 0.60 C \nATOM 3382 O VAL A 448 88.803 17.417 54.066 1.00 -0.57 O \nATOM 3383 CB VAL A 448 85.913 18.208 55.479 1.00 0.30 C \nATOM 3384 CG1 VAL A 448 85.733 17.199 54.353 1.00 -0.32 C \nATOM 3385 CG2 VAL A 448 85.257 17.712 56.768 1.00 -0.32 C \nATOM 3386 HA VAL A 448 87.799 17.621 56.320 1.00 0.10 H \nATOM 3387 HB VAL A 448 85.434 19.152 55.182 1.00 -0.03 H \nATOM 3388 HG11 VAL A 448 86.231 16.256 54.623 1.00 0.08 H \nATOM 3389 HG12 VAL A 448 84.660 17.015 54.193 1.00 0.08 H \nATOM 3390 HG13 VAL A 448 86.178 17.597 53.429 1.00 0.08 H \nATOM 3391 HG21 VAL A 448 85.379 18.469 57.556 1.00 0.08 H \nATOM 3392 HG22 VAL A 448 84.186 17.537 56.590 1.00 0.08 H \nATOM 3393 HG23 VAL A 448 85.734 16.773 57.085 1.00 0.08 H \nATOM 3394 H VAL A 448 86.911 20.298 56.739 1.00 0.27 H \nATOM 3395 N TYR A 449 88.186 19.538 53.664 1.00 -0.42 N \nATOM 3396 CA TYR A 449 88.878 19.576 52.382 1.00 -0.00 C \nATOM 3397 C TYR A 449 90.396 19.310 52.523 1.00 0.60 C \nATOM 3398 O TYR A 449 90.976 18.557 51.742 1.00 -0.57 O \nATOM 3399 CB TYR A 449 88.635 20.904 51.662 1.00 -0.02 C \nATOM 3400 CG TYR A 449 89.352 20.963 50.330 1.00 -0.00 C \nATOM 3401 CD1 TYR A 449 88.819 20.354 49.193 1.00 -0.19 C \nATOM 3402 CD2 TYR A 449 90.590 21.589 50.214 1.00 -0.19 C \nATOM 3403 CE1 TYR A 449 89.498 20.386 47.967 1.00 -0.23 C \nATOM 3404 CE2 TYR A 449 91.268 21.622 49.003 1.00 -0.23 C \nATOM 3405 CZ TYR A 449 90.726 21.022 47.878 1.00 0.32 C \nATOM 3406 OH TYR A 449 91.414 21.074 46.667 1.00 -0.56 O \nATOM 3407 HA TYR A 449 88.458 18.774 51.758 1.00 0.09 H \nATOM 3408 HB3 TYR A 449 87.555 21.023 51.490 1.00 0.03 H \nATOM 3409 HB2 TYR A 449 88.998 21.725 52.298 1.00 0.03 H \nATOM 3410 HD2 TYR A 449 91.032 22.059 51.085 1.00 0.17 H \nATOM 3411 HE2 TYR A 449 92.228 22.121 48.937 1.00 0.17 H \nATOM 3412 HE1 TYR A 449 89.064 19.915 47.092 1.00 0.17 H \nATOM 3413 HD1 TYR A 449 87.863 19.847 49.259 1.00 0.17 H \nATOM 3414 HH TYR A 449 90.914 20.621 45.999 1.00 0.40 H \nATOM 3415 H TYR A 449 87.697 20.348 53.988 1.00 0.27 H \nATOM 3416 N GLU A 450 91.024 19.926 53.519 1.00 -0.52 N \nATOM 3417 CA GLU A 450 92.447 19.711 53.771 1.00 0.04 C \nATOM 3418 C GLU A 450 92.728 18.242 54.034 1.00 0.54 C \nATOM 3419 O GLU A 450 93.691 17.684 53.512 1.00 -0.58 O \nATOM 3420 CB GLU A 450 92.931 20.563 54.947 1.00 0.06 C \nATOM 3421 CG GLU A 450 93.031 22.050 54.629 1.00 0.01 C \nATOM 3422 CD GLU A 450 92.618 22.937 55.811 1.00 0.81 C \nATOM 3423 OE1 GLU A 450 92.940 24.149 55.784 1.00 -0.82 O \nATOM 3424 OE2 GLU A 450 91.968 22.432 56.762 1.00 -0.82 O \nATOM 3425 HA GLU A 450 93.005 20.015 52.873 1.00 0.11 H \nATOM 3426 HB2 GLU A 450 92.227 20.433 55.782 1.00 -0.02 H \nATOM 3427 HB3 GLU A 450 93.927 20.205 55.248 1.00 -0.02 H \nATOM 3428 HG2 GLU A 450 94.072 22.283 54.361 1.00 -0.04 H \nATOM 3429 HG3 GLU A 450 92.374 22.272 53.776 1.00 -0.04 H \nATOM 3430 H GLU A 450 90.512 20.550 54.109 1.00 0.29 H \nATOM 3431 N LEU A 451 91.881 17.614 54.841 1.00 -0.42 N \nATOM 3432 CA LEU A 451 92.035 16.198 55.126 1.00 -0.05 C \nATOM 3433 C LEU A 451 91.950 15.352 53.865 1.00 0.60 C \nATOM 3434 O LEU A 451 92.770 14.432 53.673 1.00 -0.57 O \nATOM 3435 CB LEU A 451 90.981 15.741 56.151 1.00 -0.11 C \nATOM 3436 CG LEU A 451 91.334 16.146 57.588 1.00 0.35 C \nATOM 3437 CD1 LEU A 451 90.147 15.968 58.528 1.00 -0.41 C \nATOM 3438 CD2 LEU A 451 92.536 15.338 58.058 1.00 -0.41 C \nATOM 3439 HA LEU A 451 93.031 16.048 55.567 1.00 0.09 H \nATOM 3440 HB2 LEU A 451 90.014 16.193 55.886 1.00 0.05 H \nATOM 3441 HB3 LEU A 451 90.898 14.645 56.105 1.00 0.05 H \nATOM 3442 HG LEU A 451 91.610 17.211 57.589 1.00 -0.04 H \nATOM 3443 HD21 LEU A 451 93.390 15.530 57.392 1.00 0.10 H \nATOM 3444 HD22 LEU A 451 92.798 15.634 59.085 1.00 0.10 H \nATOM 3445 HD23 LEU A 451 92.288 14.266 58.037 1.00 0.10 H \nATOM 3446 HD11 LEU A 451 89.830 14.915 58.523 1.00 0.10 H \nATOM 3447 HD12 LEU A 451 90.440 16.258 59.548 1.00 0.10 H \nATOM 3448 HD13 LEU A 451 89.314 16.603 58.191 1.00 0.10 H \nATOM 3449 H LEU A 451 91.127 18.122 55.258 1.00 0.27 H \nATOM 3450 N LEU A 452 90.959 15.643 53.014 1.00 -0.42 N \nATOM 3451 CA LEU A 452 90.785 14.857 51.795 1.00 -0.05 C \nATOM 3452 C LEU A 452 92.036 14.975 50.914 1.00 0.60 C \nATOM 3453 O LEU A 452 92.483 13.984 50.330 1.00 -0.57 O \nATOM 3454 CB LEU A 452 89.536 15.263 50.997 1.00 -0.11 C \nATOM 3455 CG LEU A 452 88.160 15.070 51.655 1.00 0.35 C \nATOM 3456 CD1 LEU A 452 87.068 15.735 50.792 1.00 -0.41 C \nATOM 3457 CD2 LEU A 452 87.850 13.580 51.887 1.00 -0.41 C \nATOM 3458 HA LEU A 452 90.667 13.803 52.089 1.00 0.09 H \nATOM 3459 HB2 LEU A 452 89.636 16.332 50.756 1.00 0.05 H \nATOM 3460 HB3 LEU A 452 89.538 14.676 50.067 1.00 0.05 H \nATOM 3461 HG LEU A 452 88.176 15.569 52.635 1.00 -0.04 H \nATOM 3462 HD21 LEU A 452 88.621 13.142 52.538 1.00 0.10 H \nATOM 3463 HD22 LEU A 452 86.865 13.481 52.367 1.00 0.10 H \nATOM 3464 HD23 LEU A 452 87.842 13.053 50.922 1.00 0.10 H \nATOM 3465 HD11 LEU A 452 87.067 15.283 49.789 1.00 0.10 H \nATOM 3466 HD12 LEU A 452 86.086 15.584 51.263 1.00 0.10 H \nATOM 3467 HD13 LEU A 452 87.273 16.812 50.708 1.00 0.10 H \nATOM 3468 H LEU A 452 90.336 16.400 53.213 1.00 0.27 H \nATOM 3469 N GLU A 453 92.581 16.188 50.808 1.00 -0.52 N \nATOM 3470 CA GLU A 453 93.786 16.421 50.012 1.00 0.04 C \nATOM 3471 C GLU A 453 94.895 15.492 50.493 1.00 0.54 C \nATOM 3472 O GLU A 453 95.754 15.065 49.717 1.00 -0.58 O \nATOM 3473 CB GLU A 453 94.294 17.852 50.182 1.00 0.06 C \nATOM 3474 CG GLU A 453 93.525 18.922 49.460 1.00 0.01 C \nATOM 3475 CD GLU A 453 94.236 20.276 49.542 1.00 0.81 C \nATOM 3476 OE1 GLU A 453 94.411 20.792 50.668 1.00 -0.82 O \nATOM 3477 OE2 GLU A 453 94.637 20.814 48.482 1.00 -0.82 O \nATOM 3478 HA GLU A 453 93.564 16.229 48.952 1.00 0.11 H \nATOM 3479 HB2 GLU A 453 94.272 18.090 51.256 1.00 -0.02 H \nATOM 3480 HB3 GLU A 453 95.332 17.884 49.821 1.00 -0.02 H \nATOM 3481 HG2 GLU A 453 93.421 18.636 48.403 1.00 -0.04 H \nATOM 3482 HG3 GLU A 453 92.528 19.014 49.915 1.00 -0.04 H \nATOM 3483 H GLU A 453 92.155 16.957 51.285 1.00 0.29 H \nATOM 3484 N LYS A 454 94.877 15.203 51.785 1.00 -0.35 N \nATOM 3485 CA LYS A 454 95.905 14.379 52.387 1.00 -0.24 C \nATOM 3486 C LYS A 454 95.520 12.910 52.358 1.00 0.73 C \nATOM 3487 O LYS A 454 96.197 12.060 52.917 1.00 -0.59 O \nATOM 3488 CB LYS A 454 96.269 14.900 53.776 1.00 -0.01 C \nATOM 3489 CG LYS A 454 97.365 15.956 53.681 1.00 0.02 C \nATOM 3490 CD LYS A 454 97.158 17.169 54.579 1.00 -0.05 C \nATOM 3491 CE LYS A 454 98.405 18.062 54.483 1.00 -0.01 C \nATOM 3492 NZ LYS A 454 98.414 19.229 55.412 1.00 -0.39 N \nATOM 3493 HA LYS A 454 96.808 14.479 51.766 1.00 0.14 H \nATOM 3494 HB2 LYS A 454 95.377 15.345 54.241 1.00 0.04 H \nATOM 3495 HB3 LYS A 454 96.626 14.063 54.394 1.00 0.04 H \nATOM 3496 HG2 LYS A 454 98.320 15.485 53.956 1.00 0.01 H \nATOM 3497 HG3 LYS A 454 97.415 16.305 52.639 1.00 0.01 H \nATOM 3498 HD2 LYS A 454 96.272 17.731 54.247 1.00 0.06 H \nATOM 3499 HD3 LYS A 454 97.015 16.841 55.619 1.00 0.06 H \nATOM 3500 HE2 LYS A 454 99.287 17.443 54.704 1.00 0.11 H \nATOM 3501 HE3 LYS A 454 98.474 18.444 53.454 1.00 0.11 H \nATOM 3502 HZ1 LYS A 454 98.355 18.902 56.364 1.00 0.34 H \nATOM 3503 HZ2 LYS A 454 99.268 19.751 55.288 1.00 0.34 H \nATOM 3504 HZ3 LYS A 454 97.625 19.824 55.212 1.00 0.34 H \nATOM 3505 H LYS A 454 94.139 15.561 52.357 1.00 0.27 H \nATOM 3506 N ASP A 455 94.426 12.618 51.673 1.00 -0.52 N \nATOM 3507 CA ASP A 455 94.012 11.236 51.483 1.00 0.04 C \nATOM 3508 C ASP A 455 93.572 10.631 52.814 1.00 0.54 C \nATOM 3509 O ASP A 455 93.812 9.457 53.090 1.00 -0.58 O \nATOM 3510 CB ASP A 455 95.159 10.411 50.865 1.00 -0.03 C \nATOM 3511 CG ASP A 455 94.684 9.063 50.314 1.00 0.80 C \nATOM 3512 OD1 ASP A 455 93.571 8.993 49.731 1.00 -0.80 O \nATOM 3513 OD2 ASP A 455 95.421 8.062 50.481 1.00 -0.80 O \nATOM 3514 HA ASP A 455 93.157 11.218 50.791 1.00 0.09 H \nATOM 3515 HB2 ASP A 455 95.606 10.990 50.043 1.00 -0.01 H \nATOM 3516 HB3 ASP A 455 95.918 10.227 51.640 1.00 -0.01 H \nATOM 3517 H ASP A 455 93.877 13.356 51.281 1.00 0.29 H \nATOM 3518 N TYR A 456 92.947 11.447 53.652 1.00 -0.42 N \nATOM 3519 CA TYR A 456 92.166 10.897 54.740 1.00 -0.00 C \nATOM 3520 C TYR A 456 90.781 10.518 54.169 1.00 0.60 C \nATOM 3521 O TYR A 456 90.185 11.264 53.351 1.00 -0.57 O \nATOM 3522 CB TYR A 456 92.023 11.873 55.911 1.00 -0.02 C \nATOM 3523 CG TYR A 456 91.081 11.305 56.954 1.00 -0.00 C \nATOM 3524 CD1 TYR A 456 91.547 10.433 57.944 1.00 -0.19 C \nATOM 3525 CD2 TYR A 456 89.720 11.608 56.928 1.00 -0.19 C \nATOM 3526 CE1 TYR A 456 90.674 9.892 58.891 1.00 -0.23 C \nATOM 3527 CE2 TYR A 456 88.837 11.065 57.865 1.00 -0.23 C \nATOM 3528 CZ TYR A 456 89.314 10.208 58.842 1.00 0.32 C \nATOM 3529 OH TYR A 456 88.437 9.682 59.781 1.00 -0.56 O \nATOM 3530 HA TYR A 456 92.664 9.989 55.110 1.00 0.09 H \nATOM 3531 HB3 TYR A 456 93.010 12.042 56.366 1.00 0.03 H \nATOM 3532 HB2 TYR A 456 91.622 12.828 55.541 1.00 0.03 H \nATOM 3533 HD2 TYR A 456 89.339 12.278 56.166 1.00 0.17 H \nATOM 3534 HE2 TYR A 456 87.783 11.314 57.827 1.00 0.17 H \nATOM 3535 HE1 TYR A 456 91.051 9.229 59.661 1.00 0.17 H \nATOM 3536 HD1 TYR A 456 92.599 10.174 57.977 1.00 0.17 H \nATOM 3537 HH TYR A 456 88.914 9.118 60.378 1.00 0.40 H \nATOM 3538 H TYR A 456 93.015 12.438 53.533 1.00 0.27 H \nATOM 3539 N ARG A 457 90.286 9.353 54.579 1.00 -0.35 N \nATOM 3540 CA ARG A 457 88.926 8.927 54.237 1.00 -0.26 C \nATOM 3541 C ARG A 457 88.287 8.258 55.443 1.00 0.73 C \nATOM 3542 O ARG A 457 88.986 7.653 56.260 1.00 -0.59 O \nATOM 3543 CB ARG A 457 88.923 7.966 53.033 1.00 -0.00 C \nATOM 3544 CG ARG A 457 89.538 8.525 51.764 1.00 0.04 C \nATOM 3545 CD ARG A 457 88.740 9.691 51.187 1.00 0.05 C \nATOM 3546 NE ARG A 457 89.196 10.014 49.831 1.00 -0.53 N \nATOM 3547 CZ ARG A 457 90.175 10.872 49.529 1.00 0.81 C \nATOM 3548 NH1 ARG A 457 90.817 11.541 50.487 1.00 -0.86 N \nATOM 3549 NH2 ARG A 457 90.496 11.071 48.252 1.00 -0.86 N \nATOM 3550 HA ARG A 457 88.337 9.817 53.972 1.00 0.16 H \nATOM 3551 HB2 ARG A 457 89.485 7.064 53.315 1.00 0.03 H \nATOM 3552 HB3 ARG A 457 87.879 7.695 52.815 1.00 0.03 H \nATOM 3553 HG2 ARG A 457 90.557 8.873 51.990 1.00 0.03 H \nATOM 3554 HG3 ARG A 457 89.583 7.723 51.012 1.00 0.03 H \nATOM 3555 HD2 ARG A 457 87.675 9.418 51.154 1.00 0.07 H \nATOM 3556 HD3 ARG A 457 88.872 10.573 51.831 1.00 0.07 H \nATOM 3557 HE ARG A 457 88.723 9.541 49.048 1.00 0.35 H \nATOM 3558 HH12 ARG A 457 91.570 12.199 50.240 1.00 0.45 H \nATOM 3559 HH11 ARG A 457 90.560 11.400 51.474 1.00 0.45 H \nATOM 3560 HH22 ARG A 457 91.249 11.730 48.007 1.00 0.45 H \nATOM 3561 HH21 ARG A 457 89.991 10.566 47.509 1.00 0.45 H \nATOM 3562 H ARG A 457 90.858 8.751 55.136 1.00 0.27 H \nATOM 3563 N MET A 458 86.961 8.346 55.550 1.00 -0.42 N \nATOM 3564 CA MET A 458 86.259 7.716 56.670 1.00 -0.02 C \nATOM 3565 C MET A 458 86.617 6.239 56.739 1.00 0.60 C \nATOM 3566 O MET A 458 86.791 5.597 55.708 1.00 -0.57 O \nATOM 3567 CB MET A 458 84.738 7.867 56.519 1.00 0.03 C \nATOM 3568 CG MET A 458 84.239 9.289 56.673 1.00 0.00 C \nATOM 3569 SD MET A 458 82.432 9.400 56.651 1.00 -0.27 S \nATOM 3570 CE MET A 458 82.085 9.619 54.882 1.00 -0.05 C \nATOM 3571 HA MET A 458 86.573 8.205 57.604 1.00 0.09 H \nATOM 3572 HB2 MET A 458 84.453 7.507 55.519 1.00 0.02 H \nATOM 3573 HB3 MET A 458 84.251 7.245 57.285 1.00 0.02 H \nATOM 3574 HG2 MET A 458 84.605 9.689 57.630 1.00 0.04 H \nATOM 3575 HG3 MET A 458 84.639 9.894 55.846 1.00 0.04 H \nATOM 3576 HE1 MET A 458 82.479 8.758 54.322 1.00 0.07 H \nATOM 3577 HE2 MET A 458 80.998 9.691 54.728 1.00 0.07 H \nATOM 3578 HE3 MET A 458 82.568 10.541 54.525 1.00 0.07 H \nATOM 3579 H MET A 458 86.441 8.847 54.859 1.00 0.27 H \nATOM 3580 N GLU A 459 86.735 5.703 57.949 1.00 -0.52 N \nATOM 3581 CA GLU A 459 87.003 4.273 58.140 1.00 0.04 C \nATOM 3582 C GLU A 459 85.813 3.357 57.781 1.00 0.54 C \nATOM 3583 O GLU A 459 84.684 3.829 57.592 1.00 -0.58 O \nATOM 3584 CB GLU A 459 87.543 3.959 59.554 1.00 0.06 C \nATOM 3585 CG GLU A 459 86.537 4.102 60.718 1.00 0.01 C \nATOM 3586 CD GLU A 459 87.024 3.397 62.005 1.00 0.81 C \nATOM 3587 OE1 GLU A 459 87.896 2.497 61.908 1.00 -0.82 O \nATOM 3588 OE2 GLU A 459 86.534 3.734 63.112 1.00 -0.82 O \nATOM 3589 HA GLU A 459 87.808 4.020 57.435 1.00 0.11 H \nATOM 3590 HB2 GLU A 459 87.907 2.921 59.551 1.00 -0.02 H \nATOM 3591 HB3 GLU A 459 88.383 4.641 59.751 1.00 -0.02 H \nATOM 3592 HG2 GLU A 459 86.394 5.171 60.933 1.00 -0.04 H \nATOM 3593 HG3 GLU A 459 85.578 3.658 60.413 1.00 -0.04 H \nATOM 3594 H GLU A 459 86.638 6.291 58.752 1.00 0.29 H \nATOM 3595 N ARG A 460 86.095 2.065 57.616 1.00 -0.35 N \nATOM 3596 CA ARG A 460 85.059 1.080 57.342 1.00 -0.26 C \nATOM 3597 C ARG A 460 84.111 0.952 58.543 1.00 0.73 C \nATOM 3598 O ARG A 460 84.513 0.511 59.639 1.00 -0.59 O \nATOM 3599 CB ARG A 460 85.666 -0.294 57.007 1.00 -0.00 C \nATOM 3600 CG ARG A 460 84.610 -1.331 56.607 1.00 0.04 C \nATOM 3601 CD ARG A 460 85.219 -2.694 56.272 1.00 0.05 C \nATOM 3602 NE ARG A 460 85.877 -3.277 57.438 1.00 -0.53 N \nATOM 3603 CZ ARG A 460 85.238 -3.858 58.454 1.00 0.81 C \nATOM 3604 NH1 ARG A 460 83.910 -3.941 58.455 1.00 -0.86 N \nATOM 3605 NH2 ARG A 460 85.932 -4.353 59.476 1.00 -0.86 N \nATOM 3606 HA ARG A 460 84.478 1.423 56.473 1.00 0.16 H \nATOM 3607 HB2 ARG A 460 86.372 -0.172 56.172 1.00 0.03 H \nATOM 3608 HB3 ARG A 460 86.205 -0.665 57.891 1.00 0.03 H \nATOM 3609 HG2 ARG A 460 83.905 -1.456 57.442 1.00 0.03 H \nATOM 3610 HG3 ARG A 460 84.069 -0.960 55.724 1.00 0.03 H \nATOM 3611 HD2 ARG A 460 84.421 -3.371 55.934 1.00 0.07 H \nATOM 3612 HD3 ARG A 460 85.959 -2.569 55.467 1.00 0.07 H \nATOM 3613 HE ARG A 460 86.905 -3.237 57.478 1.00 0.35 H \nATOM 3614 HH12 ARG A 460 83.423 -4.391 59.243 1.00 0.45 H \nATOM 3615 HH11 ARG A 460 83.369 -3.555 57.668 1.00 0.45 H \nATOM 3616 HH22 ARG A 460 85.441 -4.802 60.262 1.00 0.45 H \nATOM 3617 HH21 ARG A 460 86.960 -4.287 59.481 1.00 0.45 H \nATOM 3618 H ARG A 460 87.046 1.763 57.682 1.00 0.27 H \nATOM 3619 N PRO A 461 82.841 1.311 58.333 1.00 -0.25 N \nATOM 3620 CA PRO A 461 81.815 1.206 59.377 1.00 -0.03 C \nATOM 3621 C PRO A 461 81.726 -0.214 59.908 1.00 0.59 C \nATOM 3622 O PRO A 461 81.917 -1.172 59.150 1.00 -0.57 O \nATOM 3623 CB PRO A 461 80.518 1.533 58.624 1.00 -0.01 C \nATOM 3624 CG PRO A 461 80.953 2.405 57.500 1.00 0.02 C \nATOM 3625 CD PRO A 461 82.303 1.870 57.081 1.00 0.02 C \nATOM 3626 HA PRO A 461 82.003 1.912 60.199 1.00 0.06 H \nATOM 3627 HD3 PRO A 461 82.947 2.676 56.699 1.00 0.04 H \nATOM 3628 HD2 PRO A 461 82.198 1.090 56.313 1.00 0.04 H \nATOM 3629 HG3 PRO A 461 81.039 3.450 57.833 1.00 0.02 H \nATOM 3630 HG2 PRO A 461 80.238 2.344 56.666 1.00 0.02 H \nATOM 3631 HB2 PRO A 461 80.046 0.615 58.244 1.00 0.03 H \nATOM 3632 HB3 PRO A 461 79.811 2.065 59.278 1.00 0.03 H \nATOM 3633 N GLU A 462 81.418 -0.346 61.192 1.00 -0.52 N \nATOM 3634 CA GLU A 462 81.151 -1.651 61.795 1.00 0.04 C \nATOM 3635 C GLU A 462 80.110 -2.421 60.986 1.00 0.54 C \nATOM 3636 O GLU A 462 79.091 -1.858 60.586 1.00 -0.58 O \nATOM 3637 CB GLU A 462 80.595 -1.469 63.205 1.00 0.06 C \nATOM 3638 CG GLU A 462 81.643 -1.428 64.283 1.00 0.01 C \nATOM 3639 CD GLU A 462 81.253 -2.263 65.482 1.00 0.81 C \nATOM 3640 OE1 GLU A 462 82.160 -2.773 66.181 1.00 -0.82 O \nATOM 3641 OE2 GLU A 462 80.031 -2.416 65.722 1.00 -0.82 O \nATOM 3642 HA GLU A 462 82.087 -2.227 61.835 1.00 0.11 H \nATOM 3643 HB2 GLU A 462 80.033 -0.524 63.234 1.00 -0.02 H \nATOM 3644 HB3 GLU A 462 79.915 -2.307 63.418 1.00 -0.02 H \nATOM 3645 HG2 GLU A 462 82.589 -1.813 63.874 1.00 -0.04 H \nATOM 3646 HG3 GLU A 462 81.781 -0.385 64.606 1.00 -0.04 H \nATOM 3647 H GLU A 462 81.367 0.472 61.765 1.00 0.29 H \nATOM 3648 N GLY A 463 80.369 -3.702 60.747 1.00 -0.42 N \nATOM 3649 CA GLY A 463 79.414 -4.541 60.046 1.00 -0.03 C \nATOM 3650 C GLY A 463 79.341 -4.347 58.537 1.00 0.60 C \nATOM 3651 O GLY A 463 78.682 -5.137 57.837 1.00 -0.57 O \nATOM 3652 HA3 GLY A 463 79.682 -5.590 60.238 1.00 0.07 H \nATOM 3653 HA2 GLY A 463 78.416 -4.335 60.461 1.00 0.07 H \nATOM 3654 H GLY A 463 81.236 -4.095 61.055 1.00 0.27 H \nATOM 3655 N CYS A 464 80.020 -3.323 58.023 1.00 -0.42 N \nATOM 3656 CA CYS A 464 80.030 -3.088 56.577 1.00 0.02 C \nATOM 3657 C CYS A 464 80.854 -4.148 55.829 1.00 0.60 C \nATOM 3658 O CYS A 464 82.052 -4.293 56.066 1.00 -0.57 O \nATOM 3659 CB CYS A 464 80.576 -1.700 56.261 1.00 -0.12 C \nATOM 3660 SG CYS A 464 80.639 -1.302 54.510 1.00 -0.31 S \nATOM 3661 HA CYS A 464 78.992 -3.144 56.217 1.00 0.11 H \nATOM 3662 HB2 CYS A 464 79.935 -0.958 56.759 1.00 0.11 H \nATOM 3663 HB3 CYS A 464 81.597 -1.633 56.665 1.00 0.11 H \nATOM 3664 HG CYS A 464 81.010 -0.372 54.390 1.00 0.19 H \nATOM 3665 H CYS A 464 80.527 -2.710 58.629 1.00 0.27 H \nATOM 3666 N PRO A 465 80.215 -4.891 54.912 1.00 -0.25 N \nATOM 3667 CA PRO A 465 80.982 -5.906 54.176 1.00 -0.03 C \nATOM 3668 C PRO A 465 82.138 -5.277 53.408 1.00 0.59 C \nATOM 3669 O PRO A 465 82.025 -4.127 52.956 1.00 -0.57 O \nATOM 3670 CB PRO A 465 79.949 -6.527 53.220 1.00 -0.01 C \nATOM 3671 CG PRO A 465 78.811 -5.584 53.201 1.00 0.02 C \nATOM 3672 CD PRO A 465 78.809 -4.828 54.487 1.00 0.02 C \nATOM 3673 HA PRO A 465 81.378 -6.667 54.865 1.00 0.06 H \nATOM 3674 HD3 PRO A 465 78.151 -5.308 55.226 1.00 0.04 H \nATOM 3675 HD2 PRO A 465 78.489 -3.787 54.333 1.00 0.04 H \nATOM 3676 HG3 PRO A 465 77.868 -6.141 53.095 1.00 0.02 H \nATOM 3677 HG2 PRO A 465 78.921 -4.885 52.359 1.00 0.02 H \nATOM 3678 HB2 PRO A 465 80.375 -6.636 52.212 1.00 0.03 H \nATOM 3679 HB3 PRO A 465 79.626 -7.511 53.590 1.00 0.03 H \nATOM 3680 N GLU A 466 83.239 -6.013 53.265 1.00 -0.52 N \nATOM 3681 CA GLU A 466 84.458 -5.453 52.662 1.00 0.04 C \nATOM 3682 C GLU A 466 84.261 -4.999 51.213 1.00 0.54 C \nATOM 3683 O GLU A 466 84.712 -3.910 50.838 1.00 -0.58 O \nATOM 3684 CB GLU A 466 85.673 -6.410 52.823 1.00 0.06 C \nATOM 3685 CG GLU A 466 86.586 -6.050 54.030 1.00 0.01 C \nATOM 3686 CD GLU A 466 87.343 -4.707 53.868 1.00 0.81 C \nATOM 3687 OE1 GLU A 466 87.937 -4.233 54.871 1.00 -0.82 O \nATOM 3688 OE2 GLU A 466 87.359 -4.130 52.750 1.00 -0.82 O \nATOM 3689 HA GLU A 466 84.698 -4.546 53.237 1.00 0.11 H \nATOM 3690 HB2 GLU A 466 85.295 -7.433 52.965 1.00 -0.02 H \nATOM 3691 HB3 GLU A 466 86.276 -6.366 51.904 1.00 -0.02 H \nATOM 3692 HG2 GLU A 466 85.959 -5.987 54.932 1.00 -0.04 H \nATOM 3693 HG3 GLU A 466 87.328 -6.853 54.154 1.00 -0.04 H \nATOM 3694 H GLU A 466 83.237 -6.964 53.573 1.00 0.29 H \nATOM 3695 N LYS A 467 83.565 -5.808 50.415 1.00 -0.35 N \nATOM 3696 CA LYS A 467 83.258 -5.416 49.037 1.00 -0.24 C \nATOM 3697 C LYS A 467 82.589 -4.039 49.001 1.00 0.73 C \nATOM 3698 O LYS A 467 82.909 -3.214 48.153 1.00 -0.59 O \nATOM 3699 CB LYS A 467 82.348 -6.446 48.366 1.00 -0.01 C \nATOM 3700 CG LYS A 467 83.048 -7.471 47.476 1.00 0.02 C \nATOM 3701 CD LYS A 467 82.048 -8.566 47.052 1.00 -0.05 C \nATOM 3702 CE LYS A 467 82.528 -9.401 45.859 1.00 -0.01 C \nATOM 3703 NZ LYS A 467 83.390 -10.556 46.258 1.00 -0.39 N \nATOM 3704 HA LYS A 467 84.201 -5.363 48.474 1.00 0.14 H \nATOM 3705 HB2 LYS A 467 81.816 -6.994 49.158 1.00 0.04 H \nATOM 3706 HB3 LYS A 467 81.621 -5.901 47.746 1.00 0.04 H \nATOM 3707 HG2 LYS A 467 83.441 -6.968 46.580 1.00 0.01 H \nATOM 3708 HG3 LYS A 467 83.878 -7.931 48.032 1.00 0.01 H \nATOM 3709 HD2 LYS A 467 81.886 -9.240 47.906 1.00 0.06 H \nATOM 3710 HD3 LYS A 467 81.098 -8.084 46.780 1.00 0.06 H \nATOM 3711 HE2 LYS A 467 81.647 -9.789 45.327 1.00 0.11 H \nATOM 3712 HE3 LYS A 467 83.105 -8.750 45.186 1.00 0.11 H \nATOM 3713 HZ1 LYS A 467 82.874 -11.162 46.876 1.00 0.34 H \nATOM 3714 HZ2 LYS A 467 83.665 -11.070 45.436 1.00 0.34 H \nATOM 3715 HZ3 LYS A 467 84.212 -10.214 46.731 1.00 0.34 H \nATOM 3716 H LYS A 467 83.249 -6.692 50.760 1.00 0.27 H \nATOM 3717 N VAL A 468 81.663 -3.789 49.922 1.00 -0.42 N \nATOM 3718 CA VAL A 468 80.990 -2.494 49.948 1.00 -0.09 C \nATOM 3719 C VAL A 468 81.925 -1.357 50.352 1.00 0.60 C \nATOM 3720 O VAL A 468 81.857 -0.258 49.785 1.00 -0.57 O \nATOM 3721 CB VAL A 468 79.725 -2.481 50.834 1.00 0.30 C \nATOM 3722 CG1 VAL A 468 79.037 -1.095 50.753 1.00 -0.32 C \nATOM 3723 CG2 VAL A 468 78.760 -3.569 50.379 1.00 -0.32 C \nATOM 3724 HA VAL A 468 80.662 -2.292 48.918 1.00 0.10 H \nATOM 3725 HB VAL A 468 80.017 -2.675 51.877 1.00 -0.03 H \nATOM 3726 HG11 VAL A 468 78.761 -0.883 49.710 1.00 0.08 H \nATOM 3727 HG12 VAL A 468 78.132 -1.098 51.378 1.00 0.08 H \nATOM 3728 HG13 VAL A 468 79.730 -0.320 51.114 1.00 0.08 H \nATOM 3729 HG21 VAL A 468 79.253 -4.550 50.451 1.00 0.08 H \nATOM 3730 HG22 VAL A 468 77.867 -3.559 51.021 1.00 0.08 H \nATOM 3731 HG23 VAL A 468 78.463 -3.383 49.336 1.00 0.08 H \nATOM 3732 H VAL A 468 81.428 -4.488 50.597 1.00 0.27 H \nATOM 3733 N TYR A 469 82.800 -1.611 51.317 1.00 -0.42 N \nATOM 3734 CA TYR A 469 83.791 -0.604 51.697 1.00 -0.00 C \nATOM 3735 C TYR A 469 84.719 -0.315 50.527 1.00 0.60 C \nATOM 3736 O TYR A 469 85.020 0.849 50.248 1.00 -0.57 O \nATOM 3737 CB TYR A 469 84.608 -1.023 52.928 1.00 -0.02 C \nATOM 3738 CG TYR A 469 85.515 0.087 53.433 1.00 -0.00 C \nATOM 3739 CD1 TYR A 469 84.985 1.312 53.814 1.00 -0.19 C \nATOM 3740 CD2 TYR A 469 86.896 -0.093 53.536 1.00 -0.19 C \nATOM 3741 CE1 TYR A 469 85.793 2.339 54.269 1.00 -0.23 C \nATOM 3742 CE2 TYR A 469 87.722 0.931 54.001 1.00 -0.23 C \nATOM 3743 CZ TYR A 469 87.169 2.145 54.366 1.00 0.32 C \nATOM 3744 OH TYR A 469 87.966 3.174 54.847 1.00 -0.56 O \nATOM 3745 HA TYR A 469 83.253 0.322 51.948 1.00 0.09 H \nATOM 3746 HB3 TYR A 469 83.913 -1.304 53.733 1.00 0.03 H \nATOM 3747 HB2 TYR A 469 85.229 -1.891 52.660 1.00 0.03 H \nATOM 3748 HD2 TYR A 469 87.333 -1.043 53.250 1.00 0.17 H \nATOM 3749 HE2 TYR A 469 88.792 0.776 54.076 1.00 0.17 H \nATOM 3750 HE1 TYR A 469 85.357 3.291 54.549 1.00 0.17 H \nATOM 3751 HD1 TYR A 469 83.914 1.468 53.754 1.00 0.17 H \nATOM 3752 HH TYR A 469 87.423 3.928 55.047 1.00 0.40 H \nATOM 3753 H TYR A 469 82.782 -2.494 51.786 1.00 0.27 H \nATOM 3754 N GLU A 470 85.144 -1.375 49.835 1.00 -0.52 N \nATOM 3755 CA GLU A 470 85.976 -1.228 48.637 1.00 0.04 C \nATOM 3756 C GLU A 470 85.311 -0.311 47.612 1.00 0.54 C \nATOM 3757 O GLU A 470 85.975 0.555 47.045 1.00 -0.58 O \nATOM 3758 CB GLU A 470 86.310 -2.583 48.007 1.00 0.06 C \nATOM 3759 CG GLU A 470 87.320 -3.392 48.799 1.00 0.01 C \nATOM 3760 CD GLU A 470 87.505 -4.798 48.222 1.00 0.81 C \nATOM 3761 OE1 GLU A 470 88.176 -5.637 48.875 1.00 -0.82 O \nATOM 3762 OE2 GLU A 470 86.970 -5.060 47.111 1.00 -0.82 O \nATOM 3763 HA GLU A 470 86.922 -0.759 48.945 1.00 0.11 H \nATOM 3764 HB2 GLU A 470 85.382 -3.168 47.929 1.00 -0.02 H \nATOM 3765 HB3 GLU A 470 86.718 -2.407 47.001 1.00 -0.02 H \nATOM 3766 HG2 GLU A 470 88.288 -2.870 48.780 1.00 -0.04 H \nATOM 3767 HG3 GLU A 470 86.970 -3.478 49.838 1.00 -0.04 H \nATOM 3768 H GLU A 470 84.888 -2.292 50.142 1.00 0.29 H \nATOM 3769 N LEU A 471 84.006 -0.488 47.383 1.00 -0.42 N \nATOM 3770 CA LEU A 471 83.280 0.413 46.487 1.00 -0.05 C \nATOM 3771 C LEU A 471 83.294 1.848 46.997 1.00 0.60 C \nATOM 3772 O LEU A 471 83.500 2.796 46.219 1.00 -0.57 O \nATOM 3773 CB LEU A 471 81.832 -0.038 46.276 1.00 -0.11 C \nATOM 3774 CG LEU A 471 81.632 -1.204 45.315 1.00 0.35 C \nATOM 3775 CD1 LEU A 471 80.189 -1.643 45.385 1.00 -0.41 C \nATOM 3776 CD2 LEU A 471 82.001 -0.802 43.895 1.00 -0.41 C \nATOM 3777 HA LEU A 471 83.789 0.393 45.512 1.00 0.09 H \nATOM 3778 HB2 LEU A 471 81.425 -0.334 47.254 1.00 0.05 H \nATOM 3779 HB3 LEU A 471 81.265 0.820 45.887 1.00 0.05 H \nATOM 3780 HG LEU A 471 82.278 -2.039 45.624 1.00 -0.04 H \nATOM 3781 HD21 LEU A 471 83.054 -0.484 43.866 1.00 0.10 H \nATOM 3782 HD22 LEU A 471 81.859 -1.661 43.222 1.00 0.10 H \nATOM 3783 HD23 LEU A 471 81.357 0.029 43.570 1.00 0.10 H \nATOM 3784 HD11 LEU A 471 79.536 -0.802 45.108 1.00 0.10 H \nATOM 3785 HD12 LEU A 471 80.026 -2.479 44.688 1.00 0.10 H \nATOM 3786 HD13 LEU A 471 79.954 -1.968 46.409 1.00 0.10 H \nATOM 3787 H LEU A 471 83.522 -1.242 47.827 1.00 0.27 H \nATOM 3788 N MET A 472 83.065 2.020 48.299 1.00 -0.42 N \nATOM 3789 CA MET A 472 83.100 3.371 48.870 1.00 -0.02 C \nATOM 3790 C MET A 472 84.414 4.027 48.526 1.00 0.60 C \nATOM 3791 O MET A 472 84.436 5.170 48.059 1.00 -0.57 O \nATOM 3792 CB MET A 472 82.982 3.366 50.382 1.00 0.03 C \nATOM 3793 CG MET A 472 81.650 2.889 50.940 1.00 0.00 C \nATOM 3794 SD MET A 472 81.663 3.211 52.721 1.00 -0.27 S \nATOM 3795 CE MET A 472 80.229 2.238 53.222 1.00 -0.05 C \nATOM 3796 HA MET A 472 82.270 3.955 48.445 1.00 0.09 H \nATOM 3797 HB2 MET A 472 83.769 2.709 50.780 1.00 0.02 H \nATOM 3798 HB3 MET A 472 83.148 4.394 50.737 1.00 0.02 H \nATOM 3799 HG2 MET A 472 80.825 3.439 50.464 1.00 0.04 H \nATOM 3800 HG3 MET A 472 81.528 1.812 50.754 1.00 0.04 H \nATOM 3801 HE1 MET A 472 80.386 1.185 52.947 1.00 0.07 H \nATOM 3802 HE2 MET A 472 80.095 2.317 54.311 1.00 0.07 H \nATOM 3803 HE3 MET A 472 79.331 2.619 52.713 1.00 0.07 H \nATOM 3804 H MET A 472 82.870 1.232 48.883 1.00 0.27 H \nATOM 3805 N ARG A 473 85.505 3.286 48.755 1.00 -0.35 N \nATOM 3806 CA ARG A 473 86.847 3.832 48.586 1.00 -0.26 C \nATOM 3807 C ARG A 473 87.122 4.168 47.126 1.00 0.73 C \nATOM 3808 O ARG A 473 87.809 5.156 46.833 1.00 -0.59 O \nATOM 3809 CB ARG A 473 87.923 2.871 49.154 1.00 -0.00 C \nATOM 3810 CG ARG A 473 87.845 2.739 50.685 1.00 0.04 C \nATOM 3811 CD ARG A 473 88.016 4.102 51.392 1.00 0.05 C \nATOM 3812 NE ARG A 473 89.301 4.725 51.068 1.00 -0.53 N \nATOM 3813 CZ ARG A 473 90.418 4.574 51.784 1.00 0.81 C \nATOM 3814 NH1 ARG A 473 90.405 3.826 52.888 1.00 -0.86 N \nATOM 3815 NH2 ARG A 473 91.548 5.176 51.402 1.00 -0.86 N \nATOM 3816 HA ARG A 473 86.901 4.769 49.160 1.00 0.16 H \nATOM 3817 HB2 ARG A 473 87.780 1.877 48.706 1.00 0.03 H \nATOM 3818 HB3 ARG A 473 88.918 3.255 48.883 1.00 0.03 H \nATOM 3819 HG2 ARG A 473 86.865 2.319 50.956 1.00 0.03 H \nATOM 3820 HG3 ARG A 473 88.642 2.060 51.024 1.00 0.03 H \nATOM 3821 HD2 ARG A 473 87.205 4.773 51.073 1.00 0.07 H \nATOM 3822 HD3 ARG A 473 87.959 3.949 52.480 1.00 0.07 H \nATOM 3823 HE ARG A 473 89.346 5.321 50.229 1.00 0.35 H \nATOM 3824 HH12 ARG A 473 91.266 3.709 53.441 1.00 0.45 H \nATOM 3825 HH11 ARG A 473 89.534 3.365 53.188 1.00 0.45 H \nATOM 3826 HH22 ARG A 473 92.408 5.057 51.957 1.00 0.45 H \nATOM 3827 HH21 ARG A 473 91.559 5.759 50.553 1.00 0.45 H \nATOM 3828 H ARG A 473 85.398 2.336 49.049 1.00 0.27 H \nATOM 3829 N ALA A 474 86.595 3.352 46.207 1.00 -0.42 N \nATOM 3830 CA ALA A 474 86.714 3.670 44.782 1.00 0.03 C \nATOM 3831 C ALA A 474 85.938 4.957 44.477 1.00 0.60 C \nATOM 3832 O ALA A 474 86.406 5.814 43.703 1.00 -0.57 O \nATOM 3833 CB ALA A 474 86.207 2.532 43.922 1.00 -0.18 C \nATOM 3834 HA ALA A 474 87.776 3.835 44.548 1.00 0.08 H \nATOM 3835 HB1 ALA A 474 86.310 2.801 42.860 1.00 0.06 H \nATOM 3836 HB2 ALA A 474 86.795 1.626 44.129 1.00 0.06 H \nATOM 3837 HB3 ALA A 474 85.148 2.342 44.152 1.00 0.06 H \nATOM 3838 H ALA A 474 86.118 2.521 46.494 1.00 0.27 H \nATOM 3839 N CYS A 475 84.766 5.108 45.105 1.00 -0.42 N \nATOM 3840 CA CYS A 475 83.968 6.330 44.921 1.00 0.02 C \nATOM 3841 C CYS A 475 84.693 7.573 45.379 1.00 0.60 C \nATOM 3842 O CYS A 475 84.533 8.631 44.784 1.00 -0.57 O \nATOM 3843 CB CYS A 475 82.608 6.249 45.642 1.00 -0.12 C \nATOM 3844 SG CYS A 475 81.504 5.058 44.817 1.00 -0.31 S \nATOM 3845 HA CYS A 475 83.774 6.432 43.843 1.00 0.11 H \nATOM 3846 HB2 CYS A 475 82.770 5.929 46.682 1.00 0.11 H \nATOM 3847 HB3 CYS A 475 82.136 7.243 45.634 1.00 0.11 H \nATOM 3848 HG CYS A 475 80.623 5.022 45.305 1.00 0.19 H \nATOM 3849 H CYS A 475 84.429 4.383 45.705 1.00 0.27 H \nATOM 3850 N TRP A 476 85.506 7.436 46.422 1.00 -0.42 N \nATOM 3851 CA TRP A 476 86.266 8.559 46.978 1.00 -0.03 C \nATOM 3852 C TRP A 476 87.691 8.778 46.388 1.00 0.60 C \nATOM 3853 O TRP A 476 88.539 9.391 47.040 1.00 -0.57 O \nATOM 3854 CB TRP A 476 86.289 8.529 48.507 1.00 -0.01 C \nATOM 3855 CG TRP A 476 84.914 8.438 49.153 1.00 -0.14 C \nATOM 3856 CD1 TRP A 476 83.740 8.982 48.695 1.00 -0.16 C \nATOM 3857 CD2 TRP A 476 84.592 7.742 50.371 1.00 0.12 C \nATOM 3858 NE1 TRP A 476 82.714 8.679 49.572 1.00 -0.34 N \nATOM 3859 CE2 TRP A 476 83.206 7.908 50.596 1.00 0.14 C \nATOM 3860 CE3 TRP A 476 85.350 7.004 51.299 1.00 -0.24 C \nATOM 3861 CZ2 TRP A 476 82.559 7.375 51.721 1.00 -0.26 C \nATOM 3862 CZ3 TRP A 476 84.717 6.460 52.401 1.00 -0.20 C \nATOM 3863 CH2 TRP A 476 83.327 6.660 52.612 1.00 -0.11 C \nATOM 3864 HA TRP A 476 85.697 9.458 46.700 1.00 0.11 H \nATOM 3865 HB2 TRP A 476 86.878 7.656 48.826 1.00 0.03 H \nATOM 3866 HB3 TRP A 476 86.776 9.449 48.862 1.00 0.03 H \nATOM 3867 HE1 TRP A 476 81.735 8.984 49.472 1.00 0.34 H \nATOM 3868 HD1 TRP A 476 83.633 9.564 47.781 1.00 0.21 H \nATOM 3869 HZ2 TRP A 476 81.497 7.520 51.882 1.00 0.16 H \nATOM 3870 HH2 TRP A 476 82.860 6.240 53.495 1.00 0.14 H \nATOM 3871 HZ3 TRP A 476 85.288 5.874 53.112 1.00 0.14 H \nATOM 3872 HE3 TRP A 476 86.415 6.864 51.152 1.00 0.17 H \nATOM 3873 H TRP A 476 85.602 6.534 46.842 1.00 0.27 H \nATOM 3874 N GLN A 477 88.004 8.153 45.258 1.00 -0.42 N \nATOM 3875 CA GLN A 477 89.276 8.456 44.583 1.00 -0.00 C \nATOM 3876 C GLN A 477 89.395 9.959 44.329 1.00 0.60 C \nATOM 3877 O GLN A 477 88.416 10.620 43.933 1.00 -0.57 O \nATOM 3878 CB GLN A 477 89.403 7.686 43.259 1.00 -0.00 C \nATOM 3879 CG GLN A 477 89.640 6.204 43.452 1.00 -0.06 C \nATOM 3880 CD GLN A 477 90.888 5.936 44.263 1.00 0.70 C \nATOM 3881 OE1 GLN A 477 91.950 6.523 44.015 1.00 -0.61 O \nATOM 3882 NE2 GLN A 477 90.774 5.045 45.242 1.00 -0.94 N \nATOM 3883 HA GLN A 477 90.100 8.147 45.243 1.00 0.09 H \nATOM 3884 HB2 GLN A 477 88.474 7.820 42.686 1.00 0.02 H \nATOM 3885 HB3 GLN A 477 90.247 8.104 42.691 1.00 0.02 H \nATOM 3886 HG2 GLN A 477 88.775 5.770 43.975 1.00 0.04 H \nATOM 3887 HG3 GLN A 477 89.748 5.729 42.466 1.00 0.04 H \nATOM 3888 HE22 GLN A 477 91.565 4.826 45.813 1.00 0.43 H \nATOM 3889 HE21 GLN A 477 89.897 4.594 45.408 1.00 0.43 H \nATOM 3890 H GLN A 477 87.377 7.479 44.867 1.00 0.27 H \nATOM 3891 N TRP A 478 90.582 10.505 44.557 1.00 -0.42 N \nATOM 3892 CA TRP A 478 90.809 11.938 44.343 1.00 -0.03 C \nATOM 3893 C TRP A 478 90.624 12.328 42.881 1.00 0.60 C \nATOM 3894 O TRP A 478 90.014 13.353 42.587 1.00 -0.57 O \nATOM 3895 CB TRP A 478 92.206 12.372 44.828 1.00 -0.01 C \nATOM 3896 CG TRP A 478 92.460 13.837 44.618 1.00 -0.14 C \nATOM 3897 CD1 TRP A 478 93.024 14.421 43.516 1.00 -0.16 C \nATOM 3898 CD2 TRP A 478 92.120 14.906 45.510 1.00 0.12 C \nATOM 3899 NE1 TRP A 478 93.062 15.792 43.676 1.00 -0.34 N \nATOM 3900 CE2 TRP A 478 92.522 16.111 44.893 1.00 0.14 C \nATOM 3901 CE3 TRP A 478 91.533 14.961 46.776 1.00 -0.24 C \nATOM 3902 CZ2 TRP A 478 92.358 17.360 45.506 1.00 -0.26 C \nATOM 3903 CZ3 TRP A 478 91.366 16.190 47.383 1.00 -0.20 C \nATOM 3904 CH2 TRP A 478 91.778 17.377 46.750 1.00 -0.11 C \nATOM 3905 HA TRP A 478 90.060 12.484 44.936 1.00 0.11 H \nATOM 3906 HB2 TRP A 478 92.291 12.150 45.902 1.00 0.03 H \nATOM 3907 HB3 TRP A 478 92.965 11.800 44.274 1.00 0.03 H \nATOM 3908 HE1 TRP A 478 93.436 16.465 42.991 1.00 0.34 H \nATOM 3909 HD1 TRP A 478 93.389 13.884 42.642 1.00 0.21 H \nATOM 3910 HZ2 TRP A 478 92.676 18.275 45.018 1.00 0.16 H \nATOM 3911 HH2 TRP A 478 91.634 18.325 47.255 1.00 0.14 H \nATOM 3912 HZ3 TRP A 478 90.909 16.241 48.365 1.00 0.14 H \nATOM 3913 HE3 TRP A 478 91.213 14.053 47.274 1.00 0.17 H \nATOM 3914 H TRP A 478 91.334 9.930 44.880 1.00 0.27 H \nATOM 3915 N ASN A 479 91.169 11.532 41.960 1.00 -0.42 N \nATOM 3916 CA ASN A 479 90.940 11.776 40.531 1.00 0.01 C \nATOM 3917 C ASN A 479 89.581 11.274 40.099 1.00 0.60 C \nATOM 3918 O ASN A 479 89.339 10.065 40.169 1.00 -0.57 O \nATOM 3919 CB ASN A 479 91.963 11.052 39.667 1.00 -0.20 C \nATOM 3920 CG ASN A 479 91.937 11.501 38.246 1.00 0.71 C \nATOM 3921 OD1 ASN A 479 91.625 12.664 37.958 1.00 -0.59 O \nATOM 3922 ND2 ASN A 479 92.262 10.585 37.325 1.00 -0.92 N \nATOM 3923 HA ASN A 479 91.007 12.858 40.347 1.00 0.10 H \nATOM 3924 HB2 ASN A 479 92.966 11.240 40.077 1.00 0.08 H \nATOM 3925 HB3 ASN A 479 91.750 9.973 39.699 1.00 0.08 H \nATOM 3926 HD22 ASN A 479 92.262 10.829 36.355 1.00 0.42 H \nATOM 3927 HD21 ASN A 479 92.505 9.657 37.607 1.00 0.42 H \nATOM 3928 H ASN A 479 91.739 10.762 42.246 1.00 0.27 H \nATOM 3929 N PRO A 480 88.708 12.181 39.604 1.00 -0.25 N \nATOM 3930 CA PRO A 480 87.359 11.769 39.170 1.00 -0.03 C \nATOM 3931 C PRO A 480 87.386 10.630 38.139 1.00 0.59 C \nATOM 3932 O PRO A 480 86.480 9.800 38.159 1.00 -0.57 O \nATOM 3933 CB PRO A 480 86.769 13.050 38.544 1.00 -0.01 C \nATOM 3934 CG PRO A 480 87.505 14.173 39.214 1.00 0.02 C \nATOM 3935 CD PRO A 480 88.934 13.628 39.427 1.00 0.02 C \nATOM 3936 HA PRO A 480 86.762 11.450 40.037 1.00 0.06 H \nATOM 3937 HD3 PRO A 480 89.397 14.069 40.322 1.00 0.04 H \nATOM 3938 HD2 PRO A 480 89.568 13.826 38.550 1.00 0.04 H \nATOM 3939 HG3 PRO A 480 87.037 14.424 40.177 1.00 0.02 H \nATOM 3940 HG2 PRO A 480 87.521 15.065 38.571 1.00 0.02 H \nATOM 3941 HB2 PRO A 480 86.941 13.066 37.458 1.00 0.03 H \nATOM 3942 HB3 PRO A 480 85.690 13.119 38.745 1.00 0.03 H \nATOM 3943 N SER A 481 88.416 10.566 37.293 1.00 -0.42 N \nATOM 3944 CA SER A 481 88.462 9.572 36.221 1.00 -0.02 C \nATOM 3945 C SER A 481 88.788 8.165 36.737 1.00 0.60 C \nATOM 3946 O SER A 481 88.560 7.175 36.037 1.00 -0.57 O \nATOM 3947 CB SER A 481 89.463 9.979 35.140 1.00 0.21 C \nATOM 3948 OG SER A 481 90.789 9.632 35.535 1.00 -0.65 O \nATOM 3949 HA SER A 481 87.463 9.535 35.762 1.00 0.08 H \nATOM 3950 HB2 SER A 481 89.216 9.459 34.203 1.00 0.04 H \nATOM 3951 HB3 SER A 481 89.404 11.066 34.982 1.00 0.04 H \nATOM 3952 HG SER A 481 91.400 9.890 34.855 1.00 0.43 H \nATOM 3953 H SER A 481 89.173 11.212 37.394 1.00 0.27 H \nATOM 3954 N ASP A 482 89.328 8.093 37.954 1.00 -0.52 N \nATOM 3955 CA ASP A 482 89.538 6.835 38.678 1.00 0.04 C \nATOM 3956 C ASP A 482 88.283 6.346 39.452 1.00 0.54 C \nATOM 3957 O ASP A 482 88.303 5.262 40.036 1.00 -0.58 O \nATOM 3958 CB ASP A 482 90.639 7.003 39.724 1.00 -0.03 C \nATOM 3959 CG ASP A 482 92.022 7.297 39.118 1.00 0.80 C \nATOM 3960 OD1 ASP A 482 92.305 6.972 37.933 1.00 -0.80 O \nATOM 3961 OD2 ASP A 482 92.850 7.838 39.880 1.00 -0.80 O \nATOM 3962 HA ASP A 482 89.833 6.065 37.950 1.00 0.09 H \nATOM 3963 HB2 ASP A 482 90.365 7.837 40.387 1.00 -0.01 H \nATOM 3964 HB3 ASP A 482 90.706 6.075 40.311 1.00 -0.01 H \nATOM 3965 H ASP A 482 89.605 8.945 38.398 1.00 0.29 H \nATOM 3966 N ARG A 483 87.224 7.152 39.517 1.00 -0.35 N \nATOM 3967 CA ARG A 483 86.015 6.702 40.195 1.00 -0.26 C \nATOM 3968 C ARG A 483 85.250 5.810 39.224 1.00 0.73 C \nATOM 3969 O ARG A 483 85.222 6.082 38.032 1.00 -0.59 O \nATOM 3970 CB ARG A 483 85.167 7.892 40.652 1.00 -0.00 C \nATOM 3971 CG ARG A 483 85.950 8.850 41.540 1.00 0.04 C \nATOM 3972 CD ARG A 483 85.130 10.004 42.047 1.00 0.05 C \nATOM 3973 NE ARG A 483 86.038 11.047 42.515 1.00 -0.53 N \nATOM 3974 CZ ARG A 483 85.853 12.357 42.386 1.00 0.81 C \nATOM 3975 NH1 ARG A 483 84.729 12.835 41.828 1.00 -0.86 N \nATOM 3976 NH2 ARG A 483 86.803 13.191 42.829 1.00 -0.86 N \nATOM 3977 HA ARG A 483 86.294 6.113 41.081 1.00 0.16 H \nATOM 3978 HB2 ARG A 483 84.816 8.439 39.764 1.00 0.03 H \nATOM 3979 HB3 ARG A 483 84.301 7.514 41.216 1.00 0.03 H \nATOM 3980 HG2 ARG A 483 86.333 8.289 42.405 1.00 0.03 H \nATOM 3981 HG3 ARG A 483 86.794 9.251 40.960 1.00 0.03 H \nATOM 3982 HD2 ARG A 483 84.500 10.397 41.235 1.00 0.07 H \nATOM 3983 HD3 ARG A 483 84.491 9.669 42.877 1.00 0.07 H \nATOM 3984 HE ARG A 483 86.900 10.740 42.988 1.00 0.35 H \nATOM 3985 HH12 ARG A 483 84.594 13.852 41.732 1.00 0.45 H \nATOM 3986 HH11 ARG A 483 84.002 12.185 41.496 1.00 0.45 H \nATOM 3987 HH22 ARG A 483 86.678 14.209 42.738 1.00 0.45 H \nATOM 3988 HH21 ARG A 483 87.659 12.814 43.261 1.00 0.45 H \nATOM 3989 H ARG A 483 87.259 8.061 39.103 1.00 0.27 H \nATOM 3990 N PRO A 484 84.623 4.737 39.733 1.00 -0.25 N \nATOM 3991 CA PRO A 484 83.852 3.862 38.835 1.00 -0.03 C \nATOM 3992 C PRO A 484 82.630 4.583 38.256 1.00 0.59 C \nATOM 3993 O PRO A 484 82.210 5.613 38.776 1.00 -0.57 O \nATOM 3994 CB PRO A 484 83.411 2.712 39.753 1.00 -0.01 C \nATOM 3995 CG PRO A 484 83.443 3.300 41.160 1.00 0.02 C \nATOM 3996 CD PRO A 484 84.600 4.269 41.133 1.00 0.02 C \nATOM 3997 HA PRO A 484 84.482 3.492 38.013 1.00 0.06 H \nATOM 3998 HD3 PRO A 484 85.542 3.765 41.395 1.00 0.04 H \nATOM 3999 HD2 PRO A 484 84.428 5.107 41.825 1.00 0.04 H \nATOM 4000 HG3 PRO A 484 83.612 2.512 41.908 1.00 0.02 H \nATOM 4001 HG2 PRO A 484 82.502 3.823 41.385 1.00 0.02 H \nATOM 4002 HB2 PRO A 484 82.395 2.379 39.496 1.00 0.03 H \nATOM 4003 HB3 PRO A 484 84.106 1.864 39.672 1.00 0.03 H \nATOM 4004 N SER A 485 82.089 4.061 37.165 1.00 -0.42 N \nATOM 4005 CA SER A 485 80.814 4.543 36.643 1.00 -0.02 C \nATOM 4006 C SER A 485 79.653 3.988 37.473 1.00 0.60 C \nATOM 4007 O SER A 485 79.815 2.990 38.202 1.00 -0.57 O \nATOM 4008 CB SER A 485 80.636 4.137 35.176 1.00 0.21 C \nATOM 4009 OG SER A 485 80.435 2.737 35.064 1.00 -0.65 O \nATOM 4010 HA SER A 485 80.803 5.641 36.708 1.00 0.08 H \nATOM 4011 HB2 SER A 485 79.763 4.662 34.759 1.00 0.04 H \nATOM 4012 HB3 SER A 485 81.537 4.419 34.611 1.00 0.04 H \nATOM 4013 HG SER A 485 80.327 2.505 34.149 1.00 0.43 H \nATOM 4014 H SER A 485 82.564 3.321 36.689 1.00 0.27 H \nATOM 4015 N PHE A 486 78.489 4.627 37.353 1.00 -0.42 N \nATOM 4016 CA PHE A 486 77.275 4.115 37.977 1.00 -0.00 C \nATOM 4017 C PHE A 486 76.850 2.774 37.363 1.00 0.60 C \nATOM 4018 O PHE A 486 76.330 1.911 38.065 1.00 -0.57 O \nATOM 4019 CB PHE A 486 76.153 5.158 37.944 1.00 -0.03 C \nATOM 4020 CG PHE A 486 76.257 6.183 39.060 1.00 0.01 C \nATOM 4021 CD1 PHE A 486 76.481 7.536 38.780 1.00 -0.13 C \nATOM 4022 CD2 PHE A 486 76.155 5.785 40.398 1.00 -0.13 C \nATOM 4023 CE1 PHE A 486 76.569 8.472 39.813 1.00 -0.17 C \nATOM 4024 CE2 PHE A 486 76.253 6.718 41.433 1.00 -0.17 C \nATOM 4025 CZ PHE A 486 76.472 8.060 41.142 1.00 -0.11 C \nATOM 4026 HA PHE A 486 77.507 3.925 39.035 1.00 0.10 H \nATOM 4027 HB2 PHE A 486 76.194 5.686 36.980 1.00 0.03 H \nATOM 4028 HB3 PHE A 486 75.189 4.637 38.036 1.00 0.03 H \nATOM 4029 HD2 PHE A 486 75.998 4.739 40.634 1.00 0.13 H \nATOM 4030 HE2 PHE A 486 76.158 6.396 42.464 1.00 0.14 H \nATOM 4031 HZ PHE A 486 76.567 8.783 41.944 1.00 0.13 H \nATOM 4032 HE1 PHE A 486 76.713 9.521 39.581 1.00 0.14 H \nATOM 4033 HD1 PHE A 486 76.587 7.861 37.751 1.00 0.13 H \nATOM 4034 H PHE A 486 78.448 5.475 36.824 1.00 0.27 H \nATOM 4035 N ALA A 487 77.082 2.592 36.069 1.00 -0.42 N \nATOM 4036 CA ALA A 487 76.881 1.282 35.440 1.00 0.03 C \nATOM 4037 C ALA A 487 77.660 0.170 36.179 1.00 0.60 C \nATOM 4038 O ALA A 487 77.098 -0.886 36.492 1.00 -0.57 O \nATOM 4039 CB ALA A 487 77.285 1.327 33.964 1.00 -0.18 C \nATOM 4040 HA ALA A 487 75.809 1.040 35.495 1.00 0.08 H \nATOM 4041 HB1 ALA A 487 77.127 0.337 33.510 1.00 0.06 H \nATOM 4042 HB2 ALA A 487 76.671 2.073 33.438 1.00 0.06 H \nATOM 4043 HB3 ALA A 487 78.347 1.603 33.883 1.00 0.06 H \nATOM 4044 H ALA A 487 77.399 3.361 35.513 1.00 0.27 H \nATOM 4045 N GLU A 488 78.946 0.412 36.449 1.00 -0.52 N \nATOM 4046 CA GLU A 488 79.776 -0.535 37.201 1.00 0.04 C \nATOM 4047 C GLU A 488 79.307 -0.724 38.649 1.00 0.54 C \nATOM 4048 O GLU A 488 79.193 -1.857 39.137 1.00 -0.58 O \nATOM 4049 CB GLU A 488 81.243 -0.085 37.196 1.00 0.06 C \nATOM 4050 CG GLU A 488 81.956 -0.297 35.866 1.00 0.01 C \nATOM 4051 CD GLU A 488 83.207 0.571 35.725 1.00 0.81 C \nATOM 4052 OE1 GLU A 488 83.934 0.398 34.715 1.00 -0.82 O \nATOM 4053 OE2 GLU A 488 83.459 1.430 36.611 1.00 -0.82 O \nATOM 4054 HA GLU A 488 79.711 -1.510 36.695 1.00 0.11 H \nATOM 4055 HB2 GLU A 488 81.276 0.988 37.438 1.00 -0.02 H \nATOM 4056 HB3 GLU A 488 81.781 -0.652 37.970 1.00 -0.02 H \nATOM 4057 HG2 GLU A 488 82.250 -1.354 35.788 1.00 -0.04 H \nATOM 4058 HG3 GLU A 488 81.261 -0.049 35.050 1.00 -0.04 H \nATOM 4059 H GLU A 488 79.356 1.266 36.128 1.00 0.29 H \nATOM 4060 N ILE A 489 79.048 0.390 39.334 1.00 -0.42 N \nATOM 4061 CA ILE A 489 78.573 0.354 40.709 1.00 -0.06 C \nATOM 4062 C ILE A 489 77.311 -0.497 40.776 1.00 0.60 C \nATOM 4063 O ILE A 489 77.224 -1.446 41.562 1.00 -0.57 O \nATOM 4064 CB ILE A 489 78.282 1.777 41.231 1.00 0.13 C \nATOM 4065 CG1 ILE A 489 79.601 2.516 41.479 1.00 -0.04 C \nATOM 4066 CG2 ILE A 489 77.424 1.734 42.510 1.00 -0.32 C \nATOM 4067 CD1 ILE A 489 79.429 3.993 41.701 1.00 -0.07 C \nATOM 4068 HA ILE A 489 79.348 -0.102 41.342 1.00 0.09 H \nATOM 4069 HB ILE A 489 77.719 2.321 40.459 1.00 0.02 H \nATOM 4070 HG12 ILE A 489 80.080 2.084 42.370 1.00 0.02 H \nATOM 4071 HG13 ILE A 489 80.252 2.369 40.605 1.00 0.02 H \nATOM 4072 HD11 ILE A 489 78.780 4.160 42.573 1.00 0.02 H \nATOM 4073 HD12 ILE A 489 80.411 4.454 41.882 1.00 0.02 H \nATOM 4074 HD13 ILE A 489 78.970 4.447 40.810 1.00 0.02 H \nATOM 4075 HG21 ILE A 489 77.955 1.166 43.289 1.00 0.09 H \nATOM 4076 HG22 ILE A 489 77.242 2.759 42.864 1.00 0.09 H \nATOM 4077 HG23 ILE A 489 76.463 1.246 42.291 1.00 0.09 H \nATOM 4078 H ILE A 489 79.184 1.276 38.890 1.00 0.27 H \nATOM 4079 N HIS A 490 76.344 -0.169 39.930 1.00 -0.42 N \nATOM 4080 CA HIS A 490 75.082 -0.895 39.920 1.00 0.02 C \nATOM 4081 C HIS A 490 75.257 -2.403 39.712 1.00 0.60 C \nATOM 4082 O HIS A 490 74.670 -3.209 40.443 1.00 -0.57 O \nATOM 4083 CB HIS A 490 74.119 -0.339 38.872 1.00 -0.05 C \nATOM 4084 CG HIS A 490 72.794 -1.027 38.884 1.00 -0.03 C \nATOM 4085 ND1 HIS A 490 71.899 -0.888 39.923 1.00 -0.38 N \nATOM 4086 CD2 HIS A 490 72.244 -1.914 38.025 1.00 0.13 C \nATOM 4087 CE1 HIS A 490 70.834 -1.635 39.686 1.00 0.21 C \nATOM 4088 NE2 HIS A 490 71.020 -2.268 38.538 1.00 -0.57 N \nATOM 4089 HA HIS A 490 74.620 -0.751 40.908 1.00 0.09 H \nATOM 4090 HB2 HIS A 490 73.962 0.731 39.071 1.00 0.04 H \nATOM 4091 HB3 HIS A 490 74.571 -0.464 37.877 1.00 0.04 H \nATOM 4092 HD2 HIS A 490 72.688 -2.279 37.100 1.00 0.11 H \nATOM 4093 HE1 HIS A 490 69.956 -1.716 40.325 1.00 0.14 H \nATOM 4094 HD1 HIS A 490 72.038 -0.295 40.754 1.00 0.36 H \nATOM 4095 H HIS A 490 76.483 0.587 39.290 1.00 0.27 H \nATOM 4096 N GLN A 491 76.048 -2.773 38.709 1.00 -0.42 N \nATOM 4097 CA GLN A 491 76.342 -4.178 38.440 1.00 -0.00 C \nATOM 4098 C GLN A 491 76.900 -4.862 39.693 1.00 0.60 C \nATOM 4099 O GLN A 491 76.451 -5.955 40.060 1.00 -0.57 O \nATOM 4100 CB GLN A 491 77.325 -4.316 37.264 1.00 -0.00 C \nATOM 4101 CG GLN A 491 77.712 -5.759 36.920 1.00 -0.06 C \nATOM 4102 CD GLN A 491 76.524 -6.596 36.458 1.00 0.70 C \nATOM 4103 OE1 GLN A 491 75.895 -6.298 35.437 1.00 -0.61 O \nATOM 4104 NE2 GLN A 491 76.209 -7.649 37.215 1.00 -0.94 N \nATOM 4105 HA GLN A 491 75.403 -4.679 38.163 1.00 0.09 H \nATOM 4106 HB2 GLN A 491 76.861 -3.864 36.375 1.00 0.02 H \nATOM 4107 HB3 GLN A 491 78.243 -3.766 37.518 1.00 0.02 H \nATOM 4108 HG2 GLN A 491 78.462 -5.739 36.116 1.00 0.04 H \nATOM 4109 HG3 GLN A 491 78.146 -6.229 37.815 1.00 0.04 H \nATOM 4110 HE22 GLN A 491 75.439 -8.235 36.961 1.00 0.43 H \nATOM 4111 HE21 GLN A 491 76.743 -7.852 38.036 1.00 0.43 H \nATOM 4112 H GLN A 491 76.452 -2.070 38.123 1.00 0.27 H \nATOM 4113 N ALA A 492 77.865 -4.214 40.350 1.00 -0.42 N \nATOM 4114 CA ALA A 492 78.425 -4.751 41.592 1.00 0.03 C \nATOM 4115 C ALA A 492 77.352 -4.983 42.674 1.00 0.60 C \nATOM 4116 O ALA A 492 77.374 -6.004 43.370 1.00 -0.57 O \nATOM 4117 CB ALA A 492 79.547 -3.852 42.126 1.00 -0.18 C \nATOM 4118 HA ALA A 492 78.867 -5.730 41.354 1.00 0.08 H \nATOM 4119 HB1 ALA A 492 79.948 -4.279 43.057 1.00 0.06 H \nATOM 4120 HB2 ALA A 492 80.351 -3.785 41.378 1.00 0.06 H \nATOM 4121 HB3 ALA A 492 79.148 -2.847 42.326 1.00 0.06 H \nATOM 4122 H ALA A 492 78.211 -3.348 39.988 1.00 0.27 H \nATOM 4123 N PHE A 493 76.416 -4.049 42.819 1.00 -0.42 N \nATOM 4124 CA PHE A 493 75.344 -4.245 43.792 1.00 -0.00 C \nATOM 4125 C PHE A 493 74.316 -5.309 43.366 1.00 0.60 C \nATOM 4126 O PHE A 493 73.892 -6.125 44.188 1.00 -0.57 O \nATOM 4127 CB PHE A 493 74.675 -2.920 44.185 1.00 -0.03 C \nATOM 4128 CG PHE A 493 75.461 -2.136 45.186 1.00 0.01 C \nATOM 4129 CD1 PHE A 493 75.601 -2.595 46.491 1.00 -0.13 C \nATOM 4130 CD2 PHE A 493 76.075 -0.952 44.826 1.00 -0.13 C \nATOM 4131 CE1 PHE A 493 76.337 -1.879 47.416 1.00 -0.17 C \nATOM 4132 CE2 PHE A 493 76.809 -0.239 45.743 1.00 -0.17 C \nATOM 4133 CZ PHE A 493 76.945 -0.703 47.038 1.00 -0.11 C \nATOM 4134 HA PHE A 493 75.825 -4.632 44.702 1.00 0.10 H \nATOM 4135 HB2 PHE A 493 74.554 -2.308 43.279 1.00 0.03 H \nATOM 4136 HB3 PHE A 493 73.686 -3.141 44.613 1.00 0.03 H \nATOM 4137 HD2 PHE A 493 75.977 -0.582 43.812 1.00 0.13 H \nATOM 4138 HE2 PHE A 493 77.283 0.691 45.450 1.00 0.14 H \nATOM 4139 HZ PHE A 493 77.531 -0.141 47.756 1.00 0.13 H \nATOM 4140 HE1 PHE A 493 76.435 -2.241 48.433 1.00 0.14 H \nATOM 4141 HD1 PHE A 493 75.128 -3.525 46.786 1.00 0.13 H \nATOM 4142 H PHE A 493 76.446 -3.217 42.265 1.00 0.27 H \nATOM 4143 N GLU A 494 73.916 -5.305 42.098 1.00 -0.52 N \nATOM 4144 CA GLU A 494 72.994 -6.326 41.616 1.00 0.04 C \nATOM 4145 C GLU A 494 73.565 -7.708 41.887 1.00 0.54 C \nATOM 4146 O GLU A 494 72.837 -8.633 42.256 1.00 -0.58 O \nATOM 4147 CB GLU A 494 72.670 -6.137 40.130 1.00 0.06 C \nATOM 4148 CG GLU A 494 71.205 -5.766 39.889 1.00 0.01 C \nATOM 4149 CD GLU A 494 70.929 -5.278 38.475 1.00 0.81 C \nATOM 4150 OE1 GLU A 494 69.885 -4.611 38.286 1.00 -0.82 O \nATOM 4151 OE2 GLU A 494 71.744 -5.556 37.558 1.00 -0.82 O \nATOM 4152 HA GLU A 494 72.054 -6.229 42.179 1.00 0.11 H \nATOM 4153 HB2 GLU A 494 73.307 -5.334 39.730 1.00 -0.02 H \nATOM 4154 HB3 GLU A 494 72.887 -7.076 39.600 1.00 -0.02 H \nATOM 4155 HG2 GLU A 494 70.585 -6.655 40.078 1.00 -0.04 H \nATOM 4156 HG3 GLU A 494 70.927 -4.968 40.593 1.00 -0.04 H \nATOM 4157 H GLU A 494 74.249 -4.599 41.473 1.00 0.29 H \nATOM 4158 N THR A 495 74.874 -7.845 41.727 1.00 -0.42 N \nATOM 4159 CA THR A 495 75.520 -9.119 41.985 1.00 -0.04 C \nATOM 4160 C THR A 495 75.431 -9.491 43.479 1.00 0.60 C \nATOM 4161 O THR A 495 74.898 -10.553 43.841 1.00 -0.57 O \nATOM 4162 CB THR A 495 76.995 -9.091 41.529 1.00 0.37 C \nATOM 4163 OG1 THR A 495 77.062 -8.830 40.117 1.00 -0.68 O \nATOM 4164 CG2 THR A 495 77.673 -10.424 41.847 1.00 -0.24 C \nATOM 4165 HA THR A 495 74.995 -9.892 41.406 1.00 0.10 H \nATOM 4166 HB THR A 495 77.520 -8.288 42.067 1.00 0.00 H \nATOM 4167 HG1 THR A 495 77.971 -8.814 39.841 1.00 0.41 H \nATOM 4168 HG23 THR A 495 78.245 -10.331 42.782 1.00 0.06 H \nATOM 4169 HG21 THR A 495 76.908 -11.206 41.961 1.00 0.06 H \nATOM 4170 HG22 THR A 495 78.354 -10.694 41.026 1.00 0.06 H \nATOM 4171 H THR A 495 75.421 -7.064 41.426 1.00 0.27 H \nATOM 4172 N MET A 496 75.931 -8.605 44.342 1.00 -0.42 N \nATOM 4173 CA MET A 496 75.876 -8.823 45.788 1.00 -0.02 C \nATOM 4174 C MET A 496 74.446 -9.091 46.304 1.00 0.60 C \nATOM 4175 O MET A 496 74.221 -10.007 47.107 1.00 -0.57 O \nATOM 4176 CB MET A 496 76.487 -7.633 46.537 1.00 0.03 C \nATOM 4177 CG MET A 496 77.976 -7.399 46.293 1.00 0.00 C \nATOM 4178 SD MET A 496 78.663 -6.077 47.335 1.00 -0.27 S \nATOM 4179 CE MET A 496 78.475 -4.635 46.307 1.00 -0.05 C \nATOM 4180 HA MET A 496 76.482 -9.714 46.011 1.00 0.09 H \nATOM 4181 HB2 MET A 496 75.946 -6.725 46.230 1.00 0.02 H \nATOM 4182 HB3 MET A 496 76.342 -7.800 47.615 1.00 0.02 H \nATOM 4183 HG2 MET A 496 78.518 -8.332 46.507 1.00 0.04 H \nATOM 4184 HG3 MET A 496 78.120 -7.125 45.238 1.00 0.04 H \nATOM 4185 HE1 MET A 496 77.411 -4.491 46.068 1.00 0.07 H \nATOM 4186 HE2 MET A 496 78.853 -3.751 46.842 1.00 0.07 H \nATOM 4187 HE3 MET A 496 79.045 -4.771 45.376 1.00 0.07 H \nATOM 4188 H MET A 496 76.355 -7.770 43.991 1.00 0.27 H \nATOM 4189 N PHE A 497 73.484 -8.288 45.853 1.00 -0.42 N \nATOM 4190 CA PHE A 497 72.098 -8.440 46.302 1.00 -0.00 C \nATOM 4191 C PHE A 497 71.529 -9.818 45.945 1.00 0.60 C \nATOM 4192 O PHE A 497 70.925 -10.475 46.793 1.00 -0.57 O \nATOM 4193 CB PHE A 497 71.204 -7.289 45.788 1.00 -0.03 C \nATOM 4194 CG PHE A 497 69.744 -7.434 46.156 1.00 0.01 C \nATOM 4195 CD1 PHE A 497 68.773 -7.521 45.165 1.00 -0.13 C \nATOM 4196 CD2 PHE A 497 69.344 -7.495 47.489 1.00 -0.13 C \nATOM 4197 CE1 PHE A 497 67.421 -7.663 45.497 1.00 -0.17 C \nATOM 4198 CE2 PHE A 497 67.998 -7.640 47.826 1.00 -0.17 C \nATOM 4199 CZ PHE A 497 67.032 -7.729 46.827 1.00 -0.11 C \nATOM 4200 HA PHE A 497 72.107 -8.373 47.400 1.00 0.10 H \nATOM 4201 HB2 PHE A 497 71.576 -6.345 46.213 1.00 0.03 H \nATOM 4202 HB3 PHE A 497 71.283 -7.253 44.691 1.00 0.03 H \nATOM 4203 HD2 PHE A 497 70.088 -7.429 48.274 1.00 0.13 H \nATOM 4204 HE2 PHE A 497 67.703 -7.683 48.868 1.00 0.14 H \nATOM 4205 HZ PHE A 497 65.986 -7.849 47.086 1.00 0.13 H \nATOM 4206 HE1 PHE A 497 66.675 -7.722 44.712 1.00 0.14 H \nATOM 4207 HD1 PHE A 497 69.067 -7.478 44.122 1.00 0.13 H \nATOM 4208 H PHE A 497 73.712 -7.569 45.197 1.00 0.27 H \nATOM 4209 N GLN A 498 71.728 -10.259 44.707 1.00 -0.42 N \nATOM 4210 CA GLN A 498 71.284 -11.594 44.309 1.00 -0.00 C \nATOM 4211 C GLN A 498 71.958 -12.724 45.094 1.00 0.60 C \nATOM 4212 O GLN A 498 71.299 -13.690 45.486 1.00 -0.57 O \nATOM 4213 CB GLN A 498 71.490 -11.816 42.811 1.00 -0.00 C \nATOM 4214 CG GLN A 498 70.522 -11.052 41.925 1.00 -0.06 C \nATOM 4215 CD GLN A 498 69.070 -11.441 42.160 1.00 0.70 C \nATOM 4216 OE1 GLN A 498 68.590 -12.461 41.641 1.00 -0.61 O \nATOM 4217 NE2 GLN A 498 68.358 -10.626 42.946 1.00 -0.94 N \nATOM 4218 HA GLN A 498 70.205 -11.650 44.514 1.00 0.09 H \nATOM 4219 HB2 GLN A 498 72.513 -11.502 42.554 1.00 0.02 H \nATOM 4220 HB3 GLN A 498 71.373 -12.890 42.603 1.00 0.02 H \nATOM 4221 HG2 GLN A 498 70.634 -9.977 42.128 1.00 0.04 H \nATOM 4222 HG3 GLN A 498 70.774 -11.255 40.874 1.00 0.04 H \nATOM 4223 HE22 GLN A 498 67.398 -10.829 43.138 1.00 0.43 H \nATOM 4224 HE21 GLN A 498 68.786 -9.814 43.342 1.00 0.43 H \nATOM 4225 H GLN A 498 72.186 -9.671 44.040 1.00 0.27 H \nATOM 4226 N GLU A 499 73.267 -12.617 45.313 1.00 -0.52 N \nATOM 4227 CA GLU A 499 73.993 -13.664 46.040 1.00 0.04 C \nATOM 4228 C GLU A 499 73.522 -13.766 47.492 1.00 0.54 C \nATOM 4229 O GLU A 499 73.511 -14.853 48.083 1.00 -0.58 O \nATOM 4230 CB GLU A 499 75.509 -13.432 45.980 1.00 0.06 C \nATOM 4231 CG GLU A 499 76.163 -13.831 44.655 1.00 0.01 C \nATOM 4232 CD GLU A 499 77.662 -13.543 44.630 1.00 0.81 C \nATOM 4233 OE1 GLU A 499 78.328 -13.897 43.629 1.00 -0.82 O \nATOM 4234 OE2 GLU A 499 78.174 -12.959 45.615 1.00 -0.82 O \nATOM 4235 HA GLU A 499 73.778 -14.624 45.548 1.00 0.11 H \nATOM 4236 HB2 GLU A 499 75.699 -12.362 46.148 1.00 -0.02 H \nATOM 4237 HB3 GLU A 499 75.978 -14.018 46.784 1.00 -0.02 H \nATOM 4238 HG2 GLU A 499 76.009 -14.908 44.496 1.00 -0.04 H \nATOM 4239 HG3 GLU A 499 75.683 -13.268 43.841 1.00 -0.04 H \nATOM 4240 H GLU A 499 73.761 -11.814 44.978 1.00 0.29 H \nATOM 4241 N SER A 500 73.135 -12.618 48.047 1.00 -0.42 N \nATOM 4242 CA SER A 500 72.612 -12.526 49.405 1.00 -0.02 C \nATOM 4243 C SER A 500 71.190 -13.079 49.499 1.00 0.60 C \nATOM 4244 O SER A 500 70.818 -13.687 50.502 1.00 -0.57 O \nATOM 4245 CB SER A 500 72.633 -11.072 49.877 1.00 0.21 C \nATOM 4246 OG SER A 500 72.711 -11.007 51.287 1.00 -0.65 O \nATOM 4247 HA SER A 500 73.260 -13.121 50.066 1.00 0.08 H \nATOM 4248 HB2 SER A 500 73.507 -10.564 49.443 1.00 0.04 H \nATOM 4249 HB3 SER A 500 71.713 -10.570 49.542 1.00 0.04 H \nATOM 4250 HG SER A 500 72.723 -10.098 51.562 1.00 0.43 H \nATOM 4251 H SER A 500 73.207 -11.780 47.506 1.00 0.27 H \nATOM 4252 N SER A 501 70.400 -12.865 48.449 1.00 -0.42 N \nATOM 4253 CA SER A 501 69.048 -13.418 48.363 1.00 -0.02 C \nATOM 4254 C SER A 501 69.060 -14.946 48.284 1.00 0.60 C \nATOM 4255 O SER A 501 68.153 -15.600 48.799 1.00 -0.57 O \nATOM 4256 CB SER A 501 68.294 -12.836 47.161 1.00 0.21 C \nATOM 4257 OG SER A 501 68.101 -11.437 47.300 1.00 -0.65 O \nATOM 4258 HA SER A 501 68.509 -13.130 49.278 1.00 0.08 H \nATOM 4259 HB2 SER A 501 68.875 -13.028 46.247 1.00 0.04 H \nATOM 4260 HB3 SER A 501 67.313 -13.327 47.082 1.00 0.04 H \nATOM 4261 HG SER A 501 67.633 -11.105 46.543 1.00 0.43 H \nATOM 4262 H SER A 501 70.742 -12.307 47.693 1.00 0.27 H \nATOM 4263 N ILE A 502 70.080 -15.504 47.630 1.00 -0.42 N \nATOM 4264 CA ILE A 502 70.252 -16.960 47.530 1.00 -0.06 C \nATOM 4265 C ILE A 502 70.400 -17.604 48.915 1.00 0.60 C \nATOM 4266 O ILE A 502 69.835 -18.671 49.180 1.00 -0.57 O \nATOM 4267 CB ILE A 502 71.467 -17.341 46.639 1.00 0.13 C \nATOM 4268 CG1 ILE A 502 71.010 -17.695 45.219 1.00 -0.04 C \nATOM 4269 CG2 ILE A 502 72.229 -18.522 47.233 1.00 -0.32 C \nATOM 4270 CD1 ILE A 502 70.330 -16.561 44.482 1.00 -0.07 C \nATOM 4271 HA ILE A 502 69.346 -17.370 47.060 1.00 0.09 H \nATOM 4272 HB ILE A 502 72.144 -16.475 46.586 1.00 0.02 H \nATOM 4273 HG12 ILE A 502 71.893 -18.002 44.639 1.00 0.02 H \nATOM 4274 HG13 ILE A 502 70.304 -18.536 45.284 1.00 0.02 H \nATOM 4275 HD11 ILE A 502 71.021 -15.709 44.403 1.00 0.02 H \nATOM 4276 HD12 ILE A 502 70.046 -16.897 43.474 1.00 0.02 H \nATOM 4277 HD13 ILE A 502 69.429 -16.253 45.033 1.00 0.02 H \nATOM 4278 HG21 ILE A 502 71.556 -19.388 47.317 1.00 0.09 H \nATOM 4279 HG22 ILE A 502 73.076 -18.778 46.580 1.00 0.09 H \nATOM 4280 HG23 ILE A 502 72.604 -18.252 48.231 1.00 0.09 H \nATOM 4281 H ILE A 502 70.753 -14.909 47.191 1.00 0.27 H \nATOM 4282 N SER A 503 71.161 -16.949 49.791 1.00 -0.42 N \nATOM 4283 CA SER A 503 71.308 -17.391 51.174 1.00 -0.02 C \nATOM 4284 C SER A 503 69.984 -17.253 51.925 1.00 0.60 C \nATOM 4285 O SER A 503 69.132 -16.438 51.564 1.00 -0.57 O \nATOM 4286 CB SER A 503 72.394 -16.575 51.881 1.00 0.21 C \nATOM 4287 OG SER A 503 73.610 -16.603 51.154 1.00 -0.65 O \nATOM 4288 HA SER A 503 71.605 -18.450 51.174 1.00 0.08 H \nATOM 4289 HB2 SER A 503 72.056 -15.533 51.975 1.00 0.04 H \nATOM 4290 HB3 SER A 503 72.565 -16.997 52.883 1.00 0.04 H \nATOM 4291 HG SER A 503 74.265 -16.091 51.613 1.00 0.43 H \nATOM 4292 H SER A 503 71.647 -16.128 49.491 1.00 0.27 H \nTER 4293 SER A 503 \nHETATM 4294 NA NA A 3 74.222 26.553 40.549 1.00 0.00 NA \nHETATM 4295 NA NA A 4 77.113 16.285 44.933 1.00 0.00 NA \nMASTER 0 0 0 0 0 0 0 0 4293 2 0 22 \nEND \n" }, { "path": "data/get_CASF_2016.sh", "content": "#!/bin/bash\n\n# Download CASF-2016 from http://www.pdbbind.org.cn/casf.php\nwget http://www.pdbbind.org.cn/download/CASF-2016.tar.gz -O CASF-2016.tar.gz\ntar -zxvf CASF-2016.tar.gz\nrm CASF-2016.tar.gz\n" }, { "path": "data/get_deepdock_data.sh", "content": "#!/bin/bash\n\n# Download PDBbind and CASF data for DeepDock from https://doi.org/10.6084/m9.figshare.c.5407329\n\nwget https://ndownloader.figshare.com/files/27800817 -O dataset_CASF-2016_285.tar\nwget https://ndownloader.figshare.com/files/27800643 -O dataset_deepdock_pdbbind_v2019_16K.tar\n\n" }, { "path": "deepdock/DockingFunction.py", "content": "import copy\nimport torch\nimport numpy as np\nfrom rdkit import Chem\nfrom rdkit.Chem import rdMolTransforms\nfrom rdkit.Chem import AllChem\nfrom torch_scatter import scatter_add\nfrom torch.distributions import Normal\nfrom torch_geometric.data import Batch\nfrom scipy.optimize import differential_evolution\n\nfrom deepdock.utils.data import *\n\n\ndef score_compound(ligand, target, model, dist_threshold=3., seed=None, device='cpu'):\n if seed:\n np.random.seed(seed)\n torch.cuda.manual_seed_all(seed)\n torch.manual_seed(seed)\n\n if not isinstance(ligand, Batch):\n if isinstance(ligand, Chem.Mol):\n # Check if ligand it has 3D coordinates\n try:\n ligand.GetConformer()\n except ValueError:\n print(\"Ligand must have 3D conformation. Check using mol.GetConformer()\")\n \n # Prepare ligand and target to be used by pytorch geometric\n ligand = from_networkx(mol2graph.mol_to_nx(ligand))\n ligand = Batch.from_data_list([ligand])\n \n else:\n raise Exception('mol should be an RDKIT molecule or a Batch instance')\n\n if not isinstance(target, Batch):\n if isinstance(target, str):\n # Prepare ligand and target to be used by pytorch geometric\n target = Cartesian()(FaceToEdge()(read_ply(target)))\n target = Batch.from_data_list([target])\n else:\n raise Exception('target should be a string with the ply file paht or a Batch instance')\n\n # Use the model to score conformations\n model.eval()\n ligand, target = ligand.to(device), target.to(device)\n pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\n prob = calculate_probablity(pi, sigma, mu, dist)\n if dist_threshold is not None:\n prob[torch.where(dist > dist_threshold)[0]] = 0.\n prob = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\n \n return prob.cpu().detach().numpy()\n\n\ndef dock_compound(mol, target_ply, model, dist_threshold=3., popsize=150, maxiter=500, seed=None, mutation=(0.5, 1), recombination=0.8, device='cpu'):\n if seed:\n np.random.seed(seed)\n torch.cuda.manual_seed_all(seed)\n torch.manual_seed(seed)\n\n if isinstance(mol, Chem.Mol):\n # Check if ligand it has 3D coordinates, otherwise generate them\n try:\n mol.GetConformer()\n except:\n mol=Chem.AddHs(mol)\n AllChem.EmbedMolecule(mol)\n AllChem.MMFFOptimizeMolecule(mol)\n \n # Prepare ligand and target to be used by pytorch geometric\n ligand = from_networkx(mol2graph.mol_to_nx(mol))\n ligand = Batch.from_data_list([ligand])\n \n else:\n raise Exception('mol should be an RDKIT molecule')\n\n if not isinstance(target_ply, Batch):\n if isinstance(target_ply, str):\n # Prepare ligand and target to be used by pytorch geometric\n target = Cartesian()(FaceToEdge()(read_ply(target_ply)))\n target = Batch.from_data_list([target])\n else:\n raise Exception('target should be a string with the ply file paht or a Batch instance')\n\n # Use the model to generate distance probability distributions\n model.eval()\n ligand, target = ligand.to(device), target.to(device)\n pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\n\n #Set optimization function\n opt = optimze_conformation(mol=mol, target_coords=target.pos.cpu(), n_particles=1,\n pi=pi.cpu(), mu=mu.cpu(), sigma=sigma.cpu(), dist_threshold=dist_threshold, seed=seed)\n\n #Define bounds for optimization\n max_bound = np.concatenate([[np.pi]*3, target.pos.cpu().max(0)[0].numpy(), [np.pi]*len(opt.rotable_bonds)], axis=0)\n min_bound = np.concatenate([[-np.pi]*3, target.pos.cpu().min(0)[0].numpy(), [-np.pi]*len(opt.rotable_bonds)], axis=0)\n bounds = (min_bound, max_bound)\n\n # Optimize conformations\n result = differential_evolution(opt.score_conformation, list(zip(bounds[0],bounds[1])), maxiter=maxiter,\n popsize=int(np.ceil(popsize/(len(opt.rotable_bonds)+6))),\n mutation=mutation, recombination=recombination, disp=False, seed=seed)\n\n # Get optimized molecule\n starting_mol = opt.mol\n opt_mol = apply_changes(starting_mol, result['x'], opt.rotable_bonds)\n ligCoords = torch.stack([torch.tensor(m.GetConformer().GetPositions()[opt.noHidx]) for m in [opt_mol]])\n dist = compute_euclidean_distances_matrix(ligCoords, opt.targetCoords).flatten().unsqueeze(1)\n result['num_MixOfGauss'] = torch.where(dist <= dist_threshold)[0].size(0)\n result['num_atoms'] = opt_mol.GetNumHeavyAtoms()\n result['num_rotbonds'] = len(opt.rotable_bonds)\n result['rotbonds'] = opt.rotable_bonds\n\n return opt_mol, starting_mol, result\n\n\n\nclass optimze_conformation():\n def __init__(self, mol, target_coords, n_particles, pi, mu, sigma, save_molecules=False, dist_threshold=1000, seed=None):\n super(optimze_conformation, self).__init__()\n if seed:\n np.random.seed(seed)\n \n self.opt_mols = []\n self.n_particles = n_particles\n self.rotable_bonds = get_torsions([mol])\n self.save_molecules = save_molecules\n self.dist_threshold = dist_threshold\n self.mol =get_random_conformation(mol, rotable_bonds=self.rotable_bonds, seed=seed)\n \n self.targetCoords = torch.stack([target_coords for _ in range(n_particles)]).double()\n self.pi = torch.cat([pi for _ in range(n_particles)], axis=0)\n self.sigma = torch.cat([sigma for _ in range(n_particles)], axis=0)\n self.mu = torch.cat([mu for _ in range(n_particles)], axis=0)\n self.noHidx = [idx for idx in range(self.mol.GetNumAtoms()) if self.mol.GetAtomWithIdx(idx).GetAtomicNum()is not 1]\n \n def score_conformation(self, values):\n \"\"\"\n Parameters\n ----------\n values : numpy.ndarray\n set of inputs of shape :code:`(n_particles, dimensions)`\n Returns\n -------\n numpy.ndarray\n computed cost of size :code:`(n_particles, )`\n \"\"\"\n if len(values.shape) < 2: values = np.expand_dims(values, axis=0)\n mols = [copy.copy(self.mol) for _ in range(self.n_particles)]\n \n # Apply changes to molecules\n # apply rotations\n [SetDihedral(mols[m].GetConformer(), self.rotable_bonds[r], values[m, 6+r]) for r in range(len(self.rotable_bonds)) for m in range(self.n_particles)]\n \n # apply transformation matrix\n [rdMolTransforms.TransformConformer(mols[m].GetConformer(), GetTransformationMatrix(values[m, :6])) for m in range(self.n_particles)]\n \n # Calcualte distances between ligand conformation and target\n ligCoords_list = [torch.tensor(m.GetConformer().GetPositions()[self.noHidx]) for m in mols]\n ligCoords = torch.stack(ligCoords_list).double()\n dist = torch.cdist(ligCoords, self.targetCoords, 2).flatten().unsqueeze(1)\n \n # Calculate probability for each ligand-target pair\n prob = calculate_probablity(self.pi, self.sigma, self.mu, dist)\n prob[torch.where(dist > self.dist_threshold)[0]] = 0.\n \n # Reshape and sum probabilities\n prob = prob.reshape(self.n_particles, -1).sum(1)\n if self.save_molecules: self.opt_mols.append(mols[torch.argmax(prob)])\n \n # Delete useless tensors to free memory\n del ligCoords_list, ligCoords, dist, mols\n \n return -prob.detach().numpy()\n \n \ndef SetDihedral(conf, atom_idx, new_vale):\n rdMolTransforms.SetDihedralRad(conf, atom_idx[0], atom_idx[1], atom_idx[2], atom_idx[3], new_vale)\n \ndef GetDihedral(conf, atom_idx):\n return rdMolTransforms.GetDihedralRad(conf, atom_idx[0], atom_idx[1], atom_idx[2], atom_idx[3])\n \ndef GetTransformationMatrix(transformations):\n x, y, z, disp_x, disp_y, disp_z = transformations\n transMat= np.array([[np.cos(z)*np.cos(y), (np.cos(z)*np.sin(y)*np.sin(x))-(np.sin(z)*np.cos(x)), (np.cos(z)*np.sin(y)*np.cos(x))+(np.sin(z)*np.sin(x)), disp_x],\n [np.sin(z)*np.cos(y), (np.sin(z)*np.sin(y)*np.sin(x))+(np.cos(z)*np.cos(x)), (np.sin(z)*np.sin(y)*np.cos(x))-(np.cos(z)*np.sin(x)), disp_y],\n [-np.sin(y), np.cos(y)*np.sin(x), np.cos(y)*np.cos(x), disp_z],\n [0, 0, 0, 1]], dtype=np.double)\n return transMat\n \ndef compute_euclidean_distances_matrix(X, Y):\n # Based on: https://medium.com/@souravdey/l2-distance-matrix-vectorization-trick-26aa3247ac6c\n # (X-Y)^2 = X^2 + Y^2 -2XY\n X = X.double()\n Y = Y.double()\n dists = -2 * torch.bmm(X, Y.permute(0, 2, 1)) + torch.sum(Y**2, axis=-1).unsqueeze(1) + torch.sum(X**2, axis=-1).unsqueeze(-1)\n return dists**0.5\n \ndef calculate_probablity(pi, sigma, mu, y):\n normal = Normal(mu, sigma)\n logprob = normal.log_prob(y.expand_as(normal.loc))\n logprob += torch.log(pi)\n prob = logprob.exp().sum(1)\n\n return prob\n \ndef apply_changes(mol, values, rotable_bonds):\n opt_mol = copy.copy(mol)\n \n # apply rotations\n [SetDihedral(opt_mol.GetConformer(), rotable_bonds[r], values[6+r]) for r in range(len(rotable_bonds))]\n \n # apply transformation matrix\n rdMolTransforms.TransformConformer(opt_mol.GetConformer(), GetTransformationMatrix(values[:6]))\n \n return opt_mol\n \ndef get_torsions(mol_list):\n atom_counter=0\n torsionList = []\n dihedralList = []\n for m in mol_list:\n torsionSmarts = '[!$(*#*)&!D1]-&!@[!$(*#*)&!D1]'\n torsionQuery = Chem.MolFromSmarts(torsionSmarts)\n matches = m.GetSubstructMatches(torsionQuery)\n conf = m.GetConformer()\n for match in matches:\n idx2 = match[0]\n idx3 = match[1]\n bond = m.GetBondBetweenAtoms(idx2, idx3)\n jAtom = m.GetAtomWithIdx(idx2)\n kAtom = m.GetAtomWithIdx(idx3)\n for b1 in jAtom.GetBonds():\n if (b1.GetIdx() == bond.GetIdx()):\n continue\n idx1 = b1.GetOtherAtomIdx(idx2)\n for b2 in kAtom.GetBonds():\n if ((b2.GetIdx() == bond.GetIdx())\n or (b2.GetIdx() == b1.GetIdx())):\n continue\n idx4 = b2.GetOtherAtomIdx(idx3)\n # skip 3-membered rings\n if (idx4 == idx1):\n continue\n # skip torsions that include hydrogens\n if ((m.GetAtomWithIdx(idx1).GetAtomicNum() == 1)\n or (m.GetAtomWithIdx(idx4).GetAtomicNum() == 1)):\n continue \n if m.GetAtomWithIdx(idx4).IsInRing():\n torsionList.append((idx4+atom_counter, idx3+atom_counter, idx2+atom_counter, idx1+atom_counter))\n break\n else:\n torsionList.append((idx1+atom_counter, idx2+atom_counter, idx3+atom_counter, idx4+atom_counter))\n break\n break\n \n atom_counter += m.GetNumAtoms()\n return torsionList\n\ndef get_random_conformation(mol, rotable_bonds=None, seed=None):\n if isinstance(mol, Chem.Mol):\n # Check if ligand it has 3D coordinates, otherwise generate them\n try:\n mol.GetConformer()\n except:\n mol=Chem.AddHs(mol)\n AllChem.EmbedMolecule(mol)\n AllChem.MMFFOptimizeMolecule(mol)\n else:\n raise Exception('mol should be an RDKIT molecule')\n if seed:\n np.random.seed(seed)\n if rotable_bonds is None: \n rotable_bonds = get_torsions([mol])\n new_conf = apply_changes(mol, np.random.rand(len(rotable_bonds, )+6)*10, rotable_bonds)\n Chem.rdMolTransforms.CanonicalizeConformer(new_conf.GetConformer())\n return new_conf\n\ndef atom_scores(ligand, target, probabilities, batch):\n atom_contributions=[]\n for i in torch.arange(0, len(batch.unique())):\n num_atoms = len(ligand.x[ligand.batch==i])\n num_target_nodes = len(target.x[target.batch==i])\n contribution = probabilities[batch==i].reshape((num_atoms, num_target_nodes))\n atom_contributions.append(contribution.sum(1).cpu().detach().numpy())\n return atom_contributions\n \ndef calculate_atom_contribution(ligand, target, model, dist_threshold=3., seed=None, device='cpu'):\n if seed:\n np.random.seed(seed)\n torch.cuda.manual_seed_all(seed)\n torch.manual_seed(seed)\n\n if not isinstance(ligand, Batch):\n if isinstance(ligand, Chem.Mol):\n # Check if ligand it has 3D coordinates\n try:\n ligand.GetConformer()\n except ValueError:\n print(\"Ligand must have 3D conformation. Check using mol.GetConformer()\")\n \n # Prepare ligand and target to be used by pytorch geometric\n ligand = from_networkx(mol2graph.mol_to_nx(ligand))\n ligand = Batch.from_data_list([ligand])\n \n else:\n raise Exception('mol should be an RDKIT molecule or a Batch instance')\n\n if not isinstance(target, Batch):\n if isinstance(target, str):\n # Prepare ligand and target to be used by pytorch geometric\n target = Cartesian()(FaceToEdge()(read_ply(target)))\n target = Batch.from_data_list([target])\n else:\n raise Exception('target should be a string with the ply file paht or a Batch instance')\n\n # Use the model to score conformations\n model.eval()\n ligand, target = ligand.to(device), target.to(device)\n pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\n prob = calculate_probablity(pi, sigma, mu, dist)\n if dist_threshold is not None:\n prob[torch.where(dist > dist_threshold)[0]] = 0.\n atom_contributions = atom_scores(ligand, target, prob, batch)\n prob = scatter_add(prob, batch, dim=0, dim_size=batch.unique().size(0))\n \n return prob.cpu().detach().numpy(), atom_contributions" }, { "path": "deepdock/__init__.py", "content": "" }, { "path": "deepdock/models.py", "content": "import numpy as np\nimport torch\nimport torch.nn as nn\nimport torch.nn.functional as F\nfrom torch.distributions import Normal\nfrom torch_scatter import scatter_mean\nimport torch_geometric.transforms as T\nfrom torch_geometric.utils import normalized_cut, to_dense_batch\nfrom torch_geometric.nn import MetaLayer, SplineConv, max_pool, GlobalAttention\nfrom deepdock.utils.distributions import *\n\n\ndef compute_cluster_batch_index(cluster, batch):\n max_prev_batch = 0\n for i in range(batch.max().item()+1):\n cluster[batch == i] += max_prev_batch\n max_prev_batch = cluster[batch == i].max().item() + 1\n return cluster\n\n\nclass NodeSampling(nn.Module):\n def __init__(self, nodes_per_graph):\n super(NodeSampling, self).__init__()\n \n self.num = nodes_per_graph\n \n def forward(self, x):\n if self.training:\n max_prev_batch = 0\n idx = []\n counts = torch.unique(x.batch, return_counts=True)[1]\n \n for i in range(x.batch.max().item()+1):\n idx.append(torch.randperm(counts[i])[:self.num] + max_prev_batch)\n max_prev_batch += counts[i]\n idx = torch.cat(idx)\n \n x.batch = x.batch[idx]\n x.pos = x.pos[idx]\n x.x = x.x[idx]\n \n return x\n\n \nclass ResBlock(nn.Module):\n def __init__(self, in_channels, dropout_rate=0.15):\n super(ResBlock, self).__init__()\n \n self.projectDown_node = nn.Linear(in_channels, in_channels//4)\n self.projectDown_edge = nn.Linear(in_channels, in_channels//4)\n self.bn1_node = nn.BatchNorm1d(in_channels//4)\n self.bn1_edge = nn.BatchNorm1d(in_channels//4)\n \n self.conv = MetaLayer(edge_model=EdgeModel(in_channels//4), node_model=NodeModel(in_channels//4), global_model=None)\n \n self.projectUp_node = nn.Linear(in_channels//4, in_channels)\n self.projectUp_edge = nn.Linear(in_channels//4, in_channels)\n self.dropout = nn.Dropout(p=dropout_rate)\n self.bn2_node = nn.BatchNorm1d(in_channels)\n nn.init.zeros_(self.bn2_node.weight)\n self.bn2_edge = nn.BatchNorm1d(in_channels)\n nn.init.zeros_(self.bn2_edge.weight)\n \n def forward(self, data):\n x, edge_index, edge_attr, batch = data.x, data.edge_index, data.edge_attr, data.batch\n \n h_node = F.elu(self.bn1_node(self.projectDown_node(x)))\n h_edge = F.elu(self.bn1_edge(self.projectDown_edge(edge_attr)))\n h_node, h_edge, _ = self.conv(h_node, edge_index, h_edge, None, batch)\n \n h_node = self.dropout(self.bn2_node(self.projectUp_node(h_node)))\n data.x = F.elu(h_node + x)\n \n h_edge = self.dropout(self.bn2_edge(self.projectUp_edge(h_edge))) \n data.edge_attr = F.elu(h_edge + edge_attr)\n \n return data\n\n\nclass EdgeModel(torch.nn.Module):\n def __init__(self, in_channels):\n super(EdgeModel, self).__init__()\n self.edge_mlp = nn.Sequential(nn.Linear(in_channels*3, in_channels), nn.BatchNorm1d(in_channels), nn.ELU())\n\n def forward(self, src, dest, edge_attr, u, batch):\n # source, target: [E, F_x], where E is the number of edges.\n # edge_attr: [E, F_e]\n # u: [B, F_u], where B is the number of graphs.\n # batch: [E] with max entry B - 1.\n out = torch.cat([src, dest, edge_attr], 1)\n return self.edge_mlp(out)\n\n \nclass NodeModel(torch.nn.Module):\n def __init__(self, in_channels):\n super(NodeModel, self).__init__()\n self.node_mlp_1 = nn.Sequential(nn.Linear(in_channels*2, in_channels), nn.BatchNorm1d(in_channels), nn.ELU())\n self.node_mlp_2 = nn.Sequential(nn.Linear(in_channels*2, in_channels), nn.BatchNorm1d(in_channels), nn.ELU())\n\n def forward(self, x, edge_index, edge_attr, u, batch):\n # x: [N, F_x], where N is the number of nodes.\n # edge_index: [2, E] with max entry N - 1.\n # edge_attr: [E, F_e]\n # u: [B, F_u]\n # batch: [N] with max entry B - 1.\n row, col = edge_index\n out = torch.cat([x[row], edge_attr], dim=1)\n out = self.node_mlp_1(out)\n out = scatter_mean(out, col, dim=0, dim_size=x.size(0))\n out = torch.cat([x, out], dim=1)\n return self.node_mlp_2(out)\n\n\nclass TargetNet(nn.Module):\n def __init__(self, in_channels, edge_features=3, hidden_dim=128, residual_layers=20, dropout_rate=0.15):\n super(TargetNet, self).__init__()\n \n self.node_encoder = nn.Linear(in_channels, hidden_dim)\n self.edge_encoder = nn.Linear(edge_features, hidden_dim)\n self.conv1 = MetaLayer(edge_model=EdgeModel(hidden_dim), node_model=NodeModel(hidden_dim), global_model=None)\n self.conv2 = MetaLayer(edge_model=EdgeModel(hidden_dim), node_model=NodeModel(hidden_dim), global_model=None)\n self.conv3 = MetaLayer(edge_model=EdgeModel(hidden_dim), node_model=NodeModel(hidden_dim), global_model=None)\n layers = [ResBlock(in_channels=hidden_dim, dropout_rate=dropout_rate) for i in range(residual_layers)] \n self.resnet = nn.Sequential(*layers)\n \n def forward(self, data):\n data.edge_attr = None\n data = T.Cartesian(norm=False, max_value=None, cat=False)(data)\n\n data.x = self.node_encoder(data.x)\n data.edge_attr = self.edge_encoder(data.edge_attr)\n data.x, data.edge_attr, _ = self.conv1(data.x, data.edge_index, data.edge_attr, None, data.batch)\n data.x, data.edge_attr, _ = self.conv2(data.x, data.edge_index, data.edge_attr, None, data.batch)\n data.x, data.edge_attr, _ = self.conv3(data.x, data.edge_index, data.edge_attr, None, data.batch)\n data = self.resnet(data)\n \n return data\n \n \nclass LigandNet(nn.Module):\n def __init__(self, in_channels, edge_features=6, hidden_dim=128, residual_layers=20, dropout_rate=0.15):\n super(LigandNet, self).__init__()\n\n self.node_encoder = nn.Linear(in_channels, hidden_dim)\n self.edge_encoder = nn.Linear(edge_features, hidden_dim)\n self.conv1 = MetaLayer(edge_model=EdgeModel(hidden_dim), node_model=NodeModel(hidden_dim), global_model=None)\n self.conv2 = MetaLayer(edge_model=EdgeModel(hidden_dim), node_model=NodeModel(hidden_dim), global_model=None)\n self.conv3 = MetaLayer(edge_model=EdgeModel(hidden_dim), node_model=NodeModel(hidden_dim), global_model=None)\n layers = [ResBlock(in_channels=hidden_dim, dropout_rate=dropout_rate) for i in range(residual_layers)] \n self.resnet = nn.Sequential(*layers)\n \n def forward(self, data):\n data.x = self.node_encoder(data.x)\n data.edge_attr = self.edge_encoder(data.edge_attr)\n data.x, data.edge_attr, _ = self.conv1(data.x, data.edge_index, data.edge_attr, None, data.batch)\n data.x, data.edge_attr, _ = self.conv2(data.x, data.edge_index, data.edge_attr, None, data.batch)\n data.x, data.edge_attr, _ = self.conv3(data.x, data.edge_index, data.edge_attr, None, data.batch)\n data = self.resnet(data)\n \n return data\n \n \nclass DeepDock(nn.Module):\n def __init__(self, ligand_model, target_model, hidden_dim, n_gaussians, dropout_rate=0.15, \n nodes_per_target=None, dist_threhold=1000):\n super(DeepDock, self).__init__()\n \n self.ligand_model = ligand_model\n self.target_model = target_model\n if nodes_per_target:\n self.node_sampling = NodeSampling(nodes_per_graph=nodes_per_target)\n else :\n self.node_sampling = None\n self.MLP = nn.Sequential(nn.Linear(256, hidden_dim), nn.BatchNorm1d(hidden_dim), nn.ELU(), nn.Dropout(p=dropout_rate)) \n \n self.z_pi = nn.Linear(hidden_dim, n_gaussians)\n self.z_sigma = nn.Linear(hidden_dim, n_gaussians)\n self.z_mu = nn.Linear(hidden_dim, n_gaussians)\n self.atom_types = nn.Linear(128, 28)\n self.bond_types = nn.Linear(256, 6)\n \n self.device = 'cuda' if torch.cuda.is_available() else 'cpu'\n self.dist_threhold = dist_threhold\n \n def forward(self, data_ligand, data_target, y=None):\n \n h_l = self.ligand_model(data_ligand)\n h_t = self.target_model(data_target)\n if self.node_sampling:\n h_t = self.node_sampling(h_t)\n\n h_l_x, l_mask = to_dense_batch(h_l.x, h_l.batch, fill_value=0)\n h_t_x, t_mask = to_dense_batch(h_t.x, h_t.batch, fill_value=0)\n h_l_pos, _ = to_dense_batch(h_l.pos, h_l.batch, fill_value=0)\n h_t_pos, _ = to_dense_batch(h_t.pos, h_t.batch, fill_value=0)\n \n assert h_l_x.size(0) == h_t_x.size(0), 'Encountered unequal batch-sizes'\n (B, N_l, C_out), N_t = h_l_x.size(), h_t_x.size(1)\n \n # Combine and mask\n h_l_x = h_l_x.unsqueeze(-2)\n h_l_x = h_l_x.repeat(1, 1, N_t, 1) # [B, N_l, N_t, C_out]\n\n h_t_x = h_t_x.unsqueeze(-3)\n h_t_x = h_t_x.repeat(1, N_l, 1, 1) # [B, N_l, N_t, C_out]\n\n C = torch.cat((h_l_x, h_t_x), -1)\n self.C_mask = C_mask = l_mask.view(B, N_l, 1) & t_mask.view(B, 1, N_t)\n self.C = C = C[C_mask]\n C = self.MLP(C)\n\n # Get batch indexes for ligand-target combined features\n C_batch = torch.tensor(range(B)).unsqueeze(-1).unsqueeze(-1)\n C_batch = C_batch.repeat(1, N_l, N_t)[C_mask].to(self.device)\n \n # Outputs\n pi = F.softmax(self.z_pi(C), -1)\n sigma = F.elu(self.z_sigma(C))+1.1\n mu = F.elu(self.z_mu(C))+1\n dist = self.compute_euclidean_distances_matrix(h_l_pos, h_t_pos)[C_mask]\n atom_types = self.atom_types(h_l.x)\n bond_types = self.bond_types(torch.cat([h_l.x[h_l.edge_index[0]], h_l.x[h_l.edge_index[1]]], axis=1))\n \n return pi, sigma, mu, dist.unsqueeze(1).detach(), atom_types, bond_types, C_batch\n\n def compute_euclidean_distances_matrix(self, X, Y):\n # Based on: https://medium.com/@souravdey/l2-distance-matrix-vectorization-trick-26aa3247ac6c\n # (X-Y)^2 = X^2 + Y^2 -2XY\n X = X.double()\n Y = Y.double()\n\n dists = -2 * torch.bmm(X, Y.permute(0, 2, 1)) + torch.sum(Y**2, axis=-1).unsqueeze(1) + torch.sum(X**2, axis=-1).unsqueeze(-1)\n return dists**0.5\n\n \ndef mdn_loss_fn(pi, sigma, mu, y):\n normal = Normal(mu, sigma)\n loglik = normal.log_prob(y.expand_as(normal.loc))\n loss = -torch.logsumexp(torch.log(pi) + loglik, dim=1)\n return loss\n" }, { "path": "deepdock/prepare_target/__init_.py", "content": "" }, { "path": "deepdock/prepare_target/computeAPBS.py", "content": "import os\nimport numpy\nfrom subprocess import Popen, PIPE\nimport pymesh\nimport tempfile\n\nfrom default_config.global_vars import apbs_bin, pdb2pqr_bin, multivalue_bin\nimport random\n\n\"\"\" \nModified from:\ncomputeAPBS.py: Wrapper function to compute the Poisson Boltzmann electrostatics for a surface using APBS.\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\ndef computeAPBS(vertices, pdb_file, tmp_file_base):\n \"\"\"\n Calls APBS, pdb2pqr, and multivalue and returns the charges per vertex\n \"\"\" \n pdb2pqr = pdb2pqr_bin + \" --ff=parse --whitespace --noopt --apbs-input %s %s\"# + tempfile.mktemp() \n make_pqr = pdb2pqr % (pdb_file, tmp_file_base) \n os.system(make_pqr)\n \n apbs = apbs_bin + \" %s\"\n make_apbs = apbs % (tmp_file_base+\".in\") \n os.system(make_apbs)\n \n vertfile = open(tmp_file_base + \".csv\", \"w\")\n for vert in vertices:\n vertfile.write(\"{},{},{}\\n\".format(vert[0], vert[1], vert[2]))\n vertfile.close()\n \n multivalue = multivalue_bin + \" %s %s %s\"\n make_multivalue = multivalue % (tmp_file_base+\".csv\", tmp_file_base+\".dx\", tmp_file_base+\"_out.csv\") \n os.system(make_multivalue)\n\n # Read the charge file\n chargefile = open(tmp_file_base + \"_out.csv\")\n charges = numpy.array([0.0] * len(vertices))\n for ix, line in enumerate(chargefile.readlines()):\n charges[ix] = float(line.split(\",\")[3])\n os.system(\"rm \" + tmp_file_base + \"*\")\n os.system(\"rm io.mc\")\n\n return charges\n\n\n\n\"\"\" ORIGINAL FUNCTION\n'''\ncomputeAPBS.py: Wrapper function to compute the Poisson Boltzmann electrostatics for a surface using APBS.\nPablo Gainza - LPDI STI EPFL 2019\nThis file is part of MaSIF.\nReleased under an Apache License 2.0\n'''\n\ndef computeAPBS(vertices, pdb_file, tmp_file_base = tempfile.mktemp()):\n \n #Calls APBS, pdb2pqr, and multivalue and returns the charges per vertex\n \n #fields = tmp_file_base.split(\"/\")[0:-1]\n #directory = \"/\".join(fields) + \"/\"\n fields = tmp_file_base\n directory = str(fields) + \"/\"\n filename_base = tmp_file_base.split(\"/\")[-1]\n pdbname = pdb_file.split(\"/\")[-1]\n args = [\n pdb2pqr_bin,\n \"--ff=parse\",\n \"--whitespace\",\n \"--noopt\",\n \"--apbs-input\",\n pdbname,\n filename_base,\n ]\n p2 = Popen(args, stdout=PIPE, stderr=PIPE, cwd=directory)\n stdout, stderr = p2.communicate()\n\n args = [apbs_bin, filename_base + \".in\"]\n p2 = Popen(args, stdout=PIPE, stderr=PIPE, cwd=directory)\n stdout, stderr = p2.communicate()\n\n vertfile = open(directory + \"/\" + filename_base + \".csv\", \"w\")\n for vert in vertices:\n vertfile.write(\"{},{},{}\\n\".format(vert[0], vert[1], vert[2]))\n vertfile.close()\n\n args = [\n multivalue_bin,\n filename_base + \".csv\",\n filename_base + \".dx\",\n filename_base + \"_out.csv\",\n ]\n p2 = Popen(args, stdout=PIPE, stderr=PIPE, cwd=directory)\n stdout, stderr = p2.communicate()\n\n # Read the charge file\n chargefile = open(tmp_file_base + \"_out.csv\")\n charges = numpy.array([0.0] * len(vertices))\n for ix, line in enumerate(chargefile.readlines()):\n charges[ix] = float(line.split(\",\")[3])\n\n return charges\n\"\"\"" }, { "path": "deepdock/prepare_target/computeCharges.py", "content": "from Bio.PDB import *\nimport numpy as np\nfrom sklearn.neighbors import KDTree\n\n\"\"\"\nModified from: \ncomputeCharges.py - MaSIF\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\n\"\"\"\ncomputeCharges.py: Wrapper function to compute hydrogen bond potential (free electrons/protons) in the surface\nPablo Gainza - LPDI STI EPFL 2019\nThis file is part of MaSIF.\nReleased under an Apache License 2.0\n\"\"\"\n\nfrom default_config.chemistry import (\n polarHydrogens,\n radii,\n acceptorAngleAtom,\n acceptorPlaneAtom,\n hbond_std_dev,\n donorAtom,\n)\n\n# Compute vertex charges based on hydrogen bond potential.\n# pdb_filename: The filename of the protonated protein.\n# vertices: The surface vertices of the protonated protein\n# The name of each vertex in the format, example: B_125_x_ASN_ND2_Green\n# where B is chain, 125 res id, x the insertion, ASN aatype, ND2 the name of the\n# atom, and green is not used anymore.\ndef computeCharges(pdb_filename, vertices, names):\n parser = PDBParser(QUIET=True)\n struct = parser.get_structure(pdb_filename, pdb_filename + \".pdb\")\n residues = {}\n for res in struct.get_residues():\n chain_id = res.get_parent().get_id()\n if chain_id == \"\":\n chain_id = \" \"\n residues[(chain_id, res.get_id())] = res\n\n #atoms = Selection.unfold_entities(struct, \"A\")\n atoms = struct.get_atoms()\n satisfied_CO, satisfied_HN = computeSatisfied_CO_HN(atoms)\n\n charge = np.array([0.0] * len(vertices))\n # Go over every vertex\n for ix, name in enumerate(names):\n fields = name.split(\"_\")\n chain_id = fields[0]\n if chain_id == \"\":\n chain_id = \" \"\n if fields[2] == \"x\":\n fields[2] = \" \"\n res_id = (\" \", int(fields[1]), fields[2])\n aa = fields[3]\n atom_name = fields[4]\n # Ignore atom if it is BB and it is already satisfied.\n if atom_name == \"H\" and res_id in satisfied_HN:\n continue\n if atom_name == \"O\" and res_id in satisfied_CO:\n continue\n # Compute the charge of the vertex\n charge[ix] = computeChargeHelper(\n atom_name, residues[(chain_id, res_id)], vertices[ix]\n )\n\n return charge\n\n\n# Compute the charge of a vertex in a residue.\ndef computeChargeHelper(atom_name, res, v):\n res_type = res.get_resname()\n # Check if it is a polar hydrogen.\n if isPolarHydrogen(atom_name, res):\n donor_atom_name = donorAtom[atom_name]\n a = res[donor_atom_name].get_coord() # N/O\n b = res[atom_name].get_coord() # H\n # Donor-H is always 180.0 degrees, = pi\n angle_deviation = computeAngleDeviation(a, b, v, np.pi)\n angle_penalty = computeAnglePenalty(angle_deviation)\n return 1.0 * angle_penalty\n # Check if it is an acceptor oxygen or nitrogen\n elif isAcceptorAtom(atom_name, res):\n acceptor_atom = res[atom_name]\n b = acceptor_atom.get_coord()\n a = res[acceptorAngleAtom[atom_name]].get_coord()\n # 120 degress for acceptor\n angle_deviation = computeAngleDeviation(a, b, v, 2 * np.pi / 3)\n # TODO: This should not be 120 for all atoms, i.e. for HIS it should be\n # ~125.0\n angle_penalty = computeAnglePenalty(angle_deviation)\n plane_penalty = 1.0\n if atom_name in acceptorPlaneAtom:\n try:\n d = res[acceptorPlaneAtom[atom_name]].get_coord()\n except:\n return 0.0\n plane_deviation = computePlaneDeviation(d, a, b, v)\n plane_penalty = computeAnglePenalty(plane_deviation)\n return -1.0 * angle_penalty * plane_penalty\n # Compute the\n return 0.0\n\n\n# Compute the absolute value of the deviation from theta\ndef computeAngleDeviation(a, b, c, theta):\n return abs(calc_angle(Vector(a), Vector(b), Vector(c)) - theta)\n\n\n# Compute the angle deviation from a plane\ndef computePlaneDeviation(a, b, c, d):\n dih = calc_dihedral(Vector(a), Vector(b), Vector(c), Vector(d))\n dev1 = abs(dih)\n dev2 = np.pi - abs(dih)\n return min(dev1, dev2)\n\n\n# angle_deviation from ideal value. TODO: do a more data-based solution\ndef computeAnglePenalty(angle_deviation):\n # Standard deviation: hbond_std_dev\n return max(0.0, 1.0 - (angle_deviation / (hbond_std_dev)) ** 2)\n\n\ndef isPolarHydrogen(atom_name, res):\n if atom_name in polarHydrogens[res.get_resname()]:\n return True\n else:\n return False\n\n\ndef isAcceptorAtom(atom_name, res):\n if atom_name.startswith(\"O\"):\n return True\n else:\n if res.get_resname() == \"HIS\":\n if atom_name == \"ND1\" and \"HD1\" not in res:\n return True\n if atom_name == \"NE2\" and \"HE2\" not in res:\n return True\n return False\n\n\n# Compute the list of backbone C=O:H-N that are satisfied. These will be ignored.\ndef computeSatisfied_CO_HN(atoms):\n ns = NeighborSearch(atoms)\n satisfied_CO = set()\n satisfied_HN = set()\n for atom1 in atoms:\n res1 = atom1.get_parent()\n if atom1.get_id() == \"O\":\n neigh_atoms = ns.search(atom1.get_coord(), 2.5, level=\"A\")\n for atom2 in neigh_atoms:\n if atom2.get_id() == \"H\":\n res2 = atom2.get_parent()\n # Ensure they belong to different residues.\n if res2.get_id() != res1.get_id():\n # Compute the angle N-H:O, ideal value is 180 (but in\n # helices it is typically 160) 180 +-30 = pi\n angle_N_H_O_dev = computeAngleDeviation(\n res2[\"N\"].get_coord(),\n atom2.get_coord(),\n atom1.get_coord(),\n np.pi,\n )\n # Compute angle H:O=C, ideal value is ~160 +- 20 = 8*pi/9\n angle_H_O_C_dev = computeAngleDeviation(\n atom2.get_coord(),\n atom1.get_coord(),\n res1[\"C\"].get_coord(),\n 8 * np.pi / 9,\n )\n ## Allowed deviations: 30 degrees (pi/6) and 20 degrees\n # (pi/9)\n if (\n angle_N_H_O_dev - np.pi / 6 < 0\n and angle_H_O_C_dev - np.pi / 9 < 0.0\n ):\n satisfied_CO.add(res1.get_id())\n satisfied_HN.add(res2.get_id())\n return satisfied_CO, satisfied_HN\n\n\n# Compute the charge of a new mesh, based on the charge of an old mesh.\n# Use the top vertex in distance, for now (later this should be smoothed over 3\n# or 4 vertices)\ndef assignChargesToNewMesh(new_vertices, old_vertices, old_charges, seeder_opts):\n dataset = old_vertices\n testset = new_vertices\n new_charges = np.zeros(len(new_vertices))\n if seeder_opts[\"feature_interpolation\"]:\n num_inter = 4 # Number of interpolation features\n # Assign k old vertices to each new vertex.\n kdt = KDTree(dataset)\n dists, result = kdt.query(testset, k=num_inter)\n # Square the distances (as in the original pyflann)\n dists = np.square(dists)\n # The size of result is the same as new_vertices\n for vi_new in range(len(result)):\n vi_old = result[vi_new]\n dist_old = dists[vi_new]\n # If one vertex is right on top, ignore the rest.\n if dist_old[0] == 0.0:\n new_charges[vi_new] = old_charges[vi_old[0]]\n continue\n\n total_dist = np.sum(1 / dist_old)\n for i in range(num_inter):\n new_charges[vi_new] += (\n old_charges[vi_old[i]] * (1 / dist_old[i]) / total_dist\n )\n else:\n # Assign k old vertices to each new vertex.\n kdt = KDTree(dataset)\n dists, result = kdt.query(testset)\n new_charges = old_charges[result]\n return new_charges\n\n" }, { "path": "deepdock/prepare_target/computeHydrophobicity.py", "content": "import numpy as np\n\n\"\"\"\nTaken from: \ncomputeHydrophobicity.py - MaSIF\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\n# Kyte Doolittle scale\nkd_scale = {}\nkd_scale[\"ILE\"] = 4.5\nkd_scale[\"VAL\"] = 4.2\nkd_scale[\"LEU\"] = 3.8\nkd_scale[\"PHE\"] = 2.8\nkd_scale[\"CYS\"] = 2.5\nkd_scale[\"MET\"] = 1.9\nkd_scale[\"ALA\"] = 1.8\nkd_scale[\"GLY\"] = -0.4\nkd_scale[\"THR\"] = -0.7\nkd_scale[\"SER\"] = -0.8\nkd_scale[\"TRP\"] = -0.9\nkd_scale[\"TYR\"] = -1.3\nkd_scale[\"PRO\"] = -1.6\nkd_scale[\"HIS\"] = -3.2\nkd_scale[\"GLU\"] = -3.5\nkd_scale[\"GLN\"] = -3.5\nkd_scale[\"ASP\"] = -3.5\nkd_scale[\"ASN\"] = -3.5\nkd_scale[\"LYS\"] = -3.9\nkd_scale[\"ARG\"] = -4.5\n\n# For each vertex in names, compute\ndef computeHydrophobicity(names):\n hp = np.zeros(len(names))\n for ix, name in enumerate(names):\n aa = name.split(\"_\")[3]\n hp[ix] = kd_scale[aa]\n return hp\n\n" }, { "path": "deepdock/prepare_target/computeMSMS.py", "content": "import os\nfrom subprocess import Popen, PIPE\n\nfrom input_output.read_msms import read_msms\nfrom triangulation.xyzrn import output_pdb_as_xyzrn\nfrom default_config.global_vars import msms_bin \nfrom default_config.masif_opts import masif_opts\nimport random\n\n\"\"\"\nModified from: \ncomputeMSMS.py - MaSIF\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\n# Pablo Gainza LPDI EPFL 2017-2019\n# Calls MSMS and returns the vertices.\n# Special atoms are atoms with a reduced radius.\ndef computeMSMS(pdb_file, protonate=True, one_cavity=None):\n randnum = random.randint(1,10000000)\n file_base = masif_opts['tmp_dir']+\"/msms_\"+str(randnum)\n out_xyzrn = file_base+\".xyzrn\"\n\n if protonate: \n output_pdb_as_xyzrn(pdb_file, out_xyzrn)\n else:\n print(\"Error - pdb2xyzrn is deprecated.\")\n sys.exit(1)\n # Now run MSMS on xyzrn file\n FNULL = open(os.devnull, 'w')\n if one_cavity is not None:\n args = [msms_bin, \"-density\", \"3.0\", \"-hdensity\", \"3.0\", \"-probe\", \"1.5\",\\\n \"-one_cavity\", str(1), str(one_cavity),\\\n \"-if\",out_xyzrn,\"-of\",file_base, \"-af\", file_base]\n else:\n args = [msms_bin, \"-density\", \"3.0\", \"-hdensity\", \"3.0\", \"-probe\",\\\n \"1.5\", \"-all_components\", \"-if\",out_xyzrn,\"-of\",file_base, \"-af\", file_base]\n #print msms_bin+\" \"+`args`\n p2 = Popen(args, stdout=PIPE, stderr=PIPE)\n stdout, stderr = p2.communicate()\n\n vertices, faces, normals, names = read_msms(file_base)\n areas = {}\n ses_file = open(file_base+\".area\")\n next(ses_file) # ignore header line\n for line in ses_file:\n fields = line.split()\n areas[fields[3]] = fields[1]\n os.system(\"rm \" + file_base + \"*\")\n return vertices, faces, normals, names, areas\n\n" }, { "path": "deepdock/prepare_target/computeTargetMesh.py", "content": "import os\nimport sys\nimport numpy as np\nimport shutil\nimport pymesh\nimport Bio.PDB\nfrom Bio.PDB import * \nfrom rdkit import Chem\nimport warnings\nwarnings.filterwarnings(\"ignore\")\nfrom IPython.utils import io\nfrom sklearn.neighbors import KDTree\nfrom scipy.spatial import distance\n\nimport deepdock\nsys.path.insert(0, deepdock.__path__[0]+'/masif/source')\n\nfrom default_config.masif_opts import masif_opts\nfrom deepdock.prepare_target.compute_normal import compute_normal\nfrom deepdock.prepare_target.computeAPBS import computeAPBS\nfrom deepdock.prepare_target.computeCharges import computeCharges, assignChargesToNewMesh\nfrom deepdock.prepare_target.computeHydrophobicity import computeHydrophobicity\nfrom deepdock.prepare_target.computeMSMS import computeMSMS\nfrom deepdock.prepare_target.fixmesh import fix_mesh\nfrom deepdock.prepare_target.save_ply import save_ply\nfrom deepdock.utils.mol2graph import *\n\n\ndef compute_inp_surface(target_filename, ligand_filename, dist_threshold=10):\n sufix = '_'+str(dist_threshold+5)+'A.pdb'\n out_filename = os.path.splitext(target_filename)[0]\n \n # Get atom coordinates\n mol = Chem.MolFromMol2File(ligand_filename, sanitize=False, cleanupSubstructures=False)\n g = mol_to_nx(mol)\n atomCoords = np.array([g.nodes[i]['pos'].tolist() for i in g.nodes])\n \n # Read protein and select aminino acids in the binding pocket\n parser = Bio.PDB.PDBParser(QUIET=True) # QUIET=True avoids comments on errors in the pdb.\n\n structures = parser.get_structure('target', out_filename+'.pdb')\n structure = structures[0] # 'structures' may contain several proteins in this case only one.\n\n atoms = Bio.PDB.Selection.unfold_entities(structure, 'A')\n ns = Bio.PDB.NeighborSearch(atoms)\n \n close_residues= []\n for a in atomCoords: \n close_residues.extend(ns.search(a, dist_threshold+5, level='R'))\n close_residues = Bio.PDB.Selection.uniqueify(close_residues)\n\n class SelectNeighbors(Select):\n def accept_residue(self, residue):\n if residue in close_residues:\n if all(a in [i.get_name() for i in residue.get_unpacked_list()] for a in ['N', 'CA', 'C', 'O']) or residue.resname=='HOH':\n return True\n else:\n return False\n else:\n return False\n\n pdbio = PDBIO()\n pdbio.set_structure(structure)\n pdbio.save(out_filename+sufix, SelectNeighbors())\n \n # Identify closes atom to the ligand\n structures = parser.get_structure('target', out_filename+sufix)\n structure = structures[0] # 'structures' may contain several proteins in this case only one.\n atoms = Bio.PDB.Selection.unfold_entities(structure, 'A')\n\n #dist = [distance.euclidean(atomCoords.mean(axis=0), a.get_coord()) for a in atoms]\n #atom_idx = np.argmin(dist)\n #dist = [[distance.euclidean(ac, a.get_coord()) for ac in atomCoords] for a in atoms]\n #atom_idx = np.argsort(np.min(dist, axis=1))[0]\n \n # Compute MSMS of surface w/hydrogens, \n try:\n dist = [distance.euclidean(atomCoords.mean(axis=0), a.get_coord()) for a in atoms]\n atom_idx = np.argmin(dist)\n vertices1, faces1, normals1, names1, areas1 = computeMSMS(out_filename+sufix,\\\n protonate=True, one_cavity=atom_idx)\n \n # Find the distance between every vertex in binding site surface and each atom in the ligand.\n kdt = KDTree(atomCoords)\n d, r = kdt.query(vertices1)\n assert(len(d) == len(vertices1))\n iface_v = np.where(d <= dist_threshold)[0]\n faces_to_keep = [idx for idx, face in enumerate(faces1) if all(v in iface_v for v in face)] \n \n # Compute \"charged\" vertices\n if masif_opts['use_hbond']:\n vertex_hbond = computeCharges(out_filename, vertices1, names1) \n \n # For each surface residue, assign the hydrophobicity of its amino acid. \n if masif_opts['use_hphob']:\n vertex_hphobicity = computeHydrophobicity(names1) \n \n # If protonate = false, recompute MSMS of surface, but without hydrogens (set radius of hydrogens to 0).\n vertices2 = vertices1\n faces2 = faces1\n \n # Fix the mesh.\n mesh = pymesh.form_mesh(vertices2, faces2)\n mesh = pymesh.submesh(mesh, faces_to_keep, 0)\n with io.capture_output() as captured:\n regular_mesh = fix_mesh(mesh, masif_opts['mesh_res'])\n \n except:\n try:\n dist = [[distance.euclidean(ac, a.get_coord()) for ac in atomCoords] for a in atoms]\n atom_idx = np.argsort(np.min(dist, axis=1))[0]\n vertices1, faces1, normals1, names1, areas1 = computeMSMS(out_filename+sufix,\\\n protonate=True, one_cavity=atom_idx)\n\n # Find the distance between every vertex in binding site surface and each atom in the ligand.\n kdt = KDTree(atomCoords)\n d, r = kdt.query(vertices1)\n assert(len(d) == len(vertices1))\n iface_v = np.where(d <= dist_threshold)[0]\n faces_to_keep = [idx for idx, face in enumerate(faces1) if all(v in iface_v for v in face)] \n \n # Compute \"charged\" vertices\n if masif_opts['use_hbond']:\n vertex_hbond = computeCharges(out_filename, vertices1, names1) \n \n # For each surface residue, assign the hydrophobicity of its amino acid. \n if masif_opts['use_hphob']:\n vertex_hphobicity = computeHydrophobicity(names1) \n \n # If protonate = false, recompute MSMS of surface, but without hydrogens (set radius of hydrogens to 0).\n vertices2 = vertices1\n faces2 = faces1\n \n # Fix the mesh.\n mesh = pymesh.form_mesh(vertices2, faces2)\n mesh = pymesh.submesh(mesh, faces_to_keep, 0)\n with io.capture_output() as captured:\n regular_mesh = fix_mesh(mesh, masif_opts['mesh_res'])\n \n except:\n vertices1, faces1, normals1, names1, areas1 = computeMSMS(out_filename+sufix,\\\n protonate=True, one_cavity=None)\n\n # Find the distance between every vertex in binding site surface and each atom in the ligand.\n kdt = KDTree(atomCoords)\n d, r = kdt.query(vertices1)\n assert(len(d) == len(vertices1))\n iface_v = np.where(d <= dist_threshold)[0]\n faces_to_keep = [idx for idx, face in enumerate(faces1) if all(v in iface_v for v in face)] \n \n # Compute \"charged\" vertices\n if masif_opts['use_hbond']:\n vertex_hbond = computeCharges(out_filename, vertices1, names1) \n \n # For each surface residue, assign the hydrophobicity of its amino acid. \n if masif_opts['use_hphob']:\n vertex_hphobicity = computeHydrophobicity(names1) \n \n # If protonate = false, recompute MSMS of surface, but without hydrogens (set radius of hydrogens to 0).\n vertices2 = vertices1\n faces2 = faces1\n \n # Fix the mesh.\n mesh = pymesh.form_mesh(vertices2, faces2)\n mesh = pymesh.submesh(mesh, faces_to_keep, 0)\n with io.capture_output() as captured:\n regular_mesh = fix_mesh(mesh, masif_opts['mesh_res'])\n \n # Compute the normals\n vertex_normal = compute_normal(regular_mesh.vertices, regular_mesh.faces)\n # Assign charges on new vertices based on charges of old vertices (nearest\n # neighbor)\n \n if masif_opts['use_hbond']:\n vertex_hbond = assignChargesToNewMesh(regular_mesh.vertices, vertices1,\\\n vertex_hbond, masif_opts)\n \n if masif_opts['use_hphob']:\n vertex_hphobicity = assignChargesToNewMesh(regular_mesh.vertices, vertices1,\\\n vertex_hphobicity, masif_opts)\n \n if masif_opts['use_apbs']:\n vertex_charges = computeAPBS(regular_mesh.vertices, out_filename+sufix, out_filename+\"_temp\")\n \n # Compute the principal curvature components for the shape index. \n regular_mesh.add_attribute(\"vertex_mean_curvature\")\n H = regular_mesh.get_attribute(\"vertex_mean_curvature\")\n regular_mesh.add_attribute(\"vertex_gaussian_curvature\")\n K = regular_mesh.get_attribute(\"vertex_gaussian_curvature\")\n elem = np.square(H) - K\n # In some cases this equation is less than zero, likely due to the method that computes the mean and gaussian curvature.\n # set to an epsilon.\n elem[elem<0] = 1e-8\n k1 = H + np.sqrt(elem)\n k2 = H - np.sqrt(elem)\n # Compute the shape index \n si = (k1+k2)/(k1-k2)\n si = np.arctan(si)*(2/np.pi)\n \n # Convert to ply and save.\n save_ply(out_filename+\".ply\", regular_mesh.vertices,\\\n regular_mesh.faces, normals=vertex_normal, charges=vertex_charges,\\\n normalize_charges=True, hbond=vertex_hbond, hphob=vertex_hphobicity,\\\n si=si)" }, { "path": "deepdock/prepare_target/compute_normal.py", "content": "import numpy as np\nfrom numpy.matlib import repmat\n\"\"\"\ncompute_normal.py: Compute the normals of a closed shape.\nPablo Gainza - LPDI STI EPFL 2019\nThis file is part of MaSIF, based on previous matlab code by Gabriel Peyre, converted to Python by Pablo Gainza\n\"\"\"\n\n###\nfrom default_config.global_vars import epsilon as eps\n\n\"\"\"\nTaken from: \ncompute_normal.py - MaSIF\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\n\ndef compute_normal(vertex, face):\n\n \"\"\"\n compute_normal - compute the normal of a triangulation\n vertex: 3xn matrix of vertices\n face: 3xm matrix of face indices.\n \n normal,normalf = compute_normal(vertex,face)\n \n normal(i,:) is the normal at vertex i.\n normalf(j,:) is the normal at face j.\n \n Copyright (c) 2004 Gabriel Peyr\n Converted to Python by Pablo Gainza LPDI EPFL 2017 \n \"\"\"\n\n vertex = vertex.T\n face = face.T\n nface = np.size(face, 1)\n nvert = np.size(vertex, 1)\n normal = np.zeros((3, nvert))\n # unit normals to the faces\n normalf = crossp(\n vertex[:, face[1, :]] - vertex[:, face[0, :]],\n vertex[:, face[2, :]] - vertex[:, face[0, :]],\n )\n sum_squares = np.sum(normalf ** 2, 0)\n d = np.sqrt(sum_squares)\n d[d < eps] = 1\n normalf = normalf / repmat(d, 3, 1)\n # unit normal to the vertex\n normal = np.zeros((3, nvert))\n for i in np.arange(0, nface):\n f = face[:, i]\n for j in np.arange(3):\n normal[:, f[j]] = normal[:, f[j]] + normalf[:, i]\n\n # normalize\n d = np.sqrt(np.sum(normal ** 2, 0))\n d[d < eps] = 1\n normal = normal / repmat(d, 3, 1)\n # enforce that the normal are outward\n vertex_means = np.mean(vertex, 0)\n v = vertex - repmat(vertex_means, 3, 1)\n s = np.sum(np.multiply(v, normal), 1)\n if np.sum(s > 0) < np.sum(s < 0):\n # flip\n normal = -normal\n normalf = -normalf\n return normal.T\n\n\ndef crossp(x, y):\n\n # x and y are (m,3) dimensional\n z = np.zeros((x.shape))\n z[0, :] = np.multiply(x[1, :], y[2, :]) - np.multiply(x[2, :], y[1, :])\n z[1, :] = np.multiply(x[2, :], y[0, :]) - np.multiply(x[0, :], y[2, :])\n z[2, :] = np.multiply(x[0, :], y[1, :]) - np.multiply(x[1, :], y[0, :])\n return z\n" }, { "path": "deepdock/prepare_target/fixmesh.py", "content": "import numpy as np\nfrom numpy.linalg import norm\nimport pymesh\n\n\"\"\"\nModified from: \nfixmesh.py - MaSIF\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\n\"\"\"\nfixmesh.py: Regularize a protein surface mesh. \n- based on code from the PyMESH documentation. \n\"\"\"\n\ndef fix_mesh(mesh, resolution, detail=\"normal\"):\n bbox_min, bbox_max = mesh.bbox;\n diag_len = norm(bbox_max - bbox_min);\n if detail == \"normal\":\n target_len = diag_len * 5e-3;\n elif detail == \"high\":\n target_len = diag_len * 2.5e-3;\n elif detail == \"low\":\n target_len = diag_len * 1e-2;\n \n target_len = resolution\n #print(\"Target resolution: {} mm\".format(target_len));\n # PGC 2017: Remove duplicated vertices first\n mesh, _ = pymesh.remove_duplicated_vertices(mesh, 0.001)\n\n\n count = 0;\n print(\"Removing degenerated triangles\")\n mesh, __ = pymesh.remove_degenerated_triangles(mesh, 100);\n mesh, __ = pymesh.split_long_edges(mesh, target_len);\n num_vertices = mesh.num_vertices;\n while True:\n mesh, __ = pymesh.collapse_short_edges(mesh, 1e-6);\n mesh, __ = pymesh.collapse_short_edges(mesh, target_len,\n preserve_feature=True);\n mesh, __ = pymesh.remove_obtuse_triangles(mesh, 150.0, 100);\n if mesh.num_vertices == num_vertices:\n break;\n\n num_vertices = mesh.num_vertices;\n #print(\"#v: {}\".format(num_vertices));\n count += 1;\n if count > 10: break;\n\n mesh = pymesh.resolve_self_intersection(mesh);\n mesh, __ = pymesh.remove_duplicated_faces(mesh);\n #mesh = pymesh.compute_outer_hull(mesh);\n\n ############ Added by Oscar Mendez Lucio ##############\n mesh = pymesh.compute_outer_hull(mesh, all_layers=True);\n num_nodes = [i.num_nodes for i in mesh]\n mesh = mesh[np.argmax(num_nodes)]\n ############################################################\n\n mesh, __ = pymesh.remove_duplicated_faces(mesh);\n mesh, __ = pymesh.remove_obtuse_triangles(mesh, 179.0, 5);\n mesh, __ = pymesh.remove_isolated_vertices(mesh);\n mesh, _ = pymesh.remove_duplicated_vertices(mesh, 0.001)\n\n ############ Added by Oscar Mendez Lucio ##############\n mesh = pymesh.separate_mesh(mesh)\n num_nodes = [i.num_nodes for i in mesh]\n mesh = mesh[np.argmax(num_nodes)]\n ############################################################\n\n return mesh\n" }, { "path": "deepdock/prepare_target/save_ply.py", "content": "import pymesh\nimport numpy\n\"\"\"\nModified from: \nsave_ply.py - MaSIF\nPablo Gainza - LPDI STI EPFL 2019\n\"\"\"\n\n\"\"\"\nread_ply.py: Save a ply file to disk using pymesh and load the attributes used by MaSIF. \nPablo Gainza - LPDI STI EPFL 2019\nReleased under an Apache License 2.0\n\"\"\"\n\n\ndef save_ply(\n filename,\n vertices,\n faces=[],\n normals=None,\n charges=None,\n vertex_cb=None,\n hbond=None,\n hphob=None,\n iface=None,\n si=None,\n normalize_charges=False,\n):\n \"\"\" Save vertices, mesh in ply format.\n vertices: coordinates of vertices\n faces: mesh\n \"\"\"\n mesh = pymesh.form_mesh(vertices, faces)\n if normals is not None:\n n1 = normals[:, 0]\n n2 = normals[:, 1]\n n3 = normals[:, 2]\n mesh.add_attribute(\"vertex_nx\")\n mesh.set_attribute(\"vertex_nx\", n1)\n mesh.add_attribute(\"vertex_ny\")\n mesh.set_attribute(\"vertex_ny\", n2)\n mesh.add_attribute(\"vertex_nz\")\n mesh.set_attribute(\"vertex_nz\", n3)\n if charges is not None:\n mesh.add_attribute(\"charge\")\n if normalize_charges:\n charges = charges / 10\n mesh.set_attribute(\"charge\", charges)\n if hbond is not None:\n mesh.add_attribute(\"hbond\")\n mesh.set_attribute(\"hbond\", hbond)\n if vertex_cb is not None:\n mesh.add_attribute(\"vertex_cb\")\n mesh.set_attribute(\"vertex_cb\", vertex_cb)\n if hphob is not None:\n mesh.add_attribute(\"vertex_hphob\")\n mesh.set_attribute(\"vertex_hphob\", hphob)\n if iface is not None:\n mesh.add_attribute(\"vertex_iface\")\n mesh.set_attribute(\"vertex_iface\", iface)\n if si is not None:\n mesh.add_attribute(\"vertex_si\")\n mesh.set_attribute(\"vertex_si\", si)\n\n pymesh.save_mesh(\n filename, mesh, *mesh.get_attribute_names(), use_float=True, ascii=True\n )\n\n" }, { "path": "deepdock/utils/__init__.py", "content": "" }, { "path": "deepdock/utils/data.py", "content": "import torch\nfrom plyfile import PlyData\nfrom torch_geometric.data import Data, Dataset\nfrom torch_geometric.utils import from_networkx\nfrom torch_geometric.transforms import FaceToEdge, Cartesian\n\nfrom sklearn.cluster import AgglomerativeClustering\nfrom multiprocessing import Pool\nfrom rdkit import Chem\nimport pandas as pd\nimport numpy as np\nimport glob\nimport os\n\nfrom deepdock.utils import mol2graph\n\n\ndef read_ply(path):\n with open(path, 'rb') as f:\n data = PlyData.read(f)\n\n features = ([torch.tensor(data['vertex'][axis.name]) for axis in data['vertex'].properties if axis.name not in ['nx', 'ny', 'nz'] ])\n pos = torch.stack(features[:3], dim=-1)\n features = torch.stack(features[3:], dim=-1)\n\n face = None\n if 'face' in data:\n faces = data['face']['vertex_indices']\n faces = [torch.tensor(fa, dtype=torch.long) for fa in faces]\n face = torch.stack(faces, dim=-1)\n\n data = Data(x=features, pos=pos, face=face)\n\n return data\n \n \nclass PDBbind_protsurf_dataset(Dataset):\n def __init__(self, pdb_IDs, root, transform=None, pre_transform=None):\n super(PDBbind_protsurf_dataset, self).__init__()\n \n self.files = [os.path.join(root, i, i+'_pocket.ply') for i in pdb_IDs]\n \n def len(self):\n return len(self.files)\n\n def get(self, idx):\n mesh = read_ply(self.files[idx])\n data = FaceToEdge()(mesh)\n data = Cartesian()(data)\n return data\n \n\nclass PDBbind_complex_dataset(Dataset):\n def __init__(self, data_path, transform=None, pre_transform=None, \n min_target_nodes=None, max_target_nodes=None,\n min_ligand_nodes=None, max_ligand_nodes=None):\n super(PDBbind_complex_dataset, self).__init__()\n \n self.data = torch.load(data_path)\n self.data = [i for i in self.data if not np.isnan(i[1].x.numpy().min())]\n if min_target_nodes:\n self.data = [i for i in self.data if len(i[1].x.numpy()) >= min_target_nodes]\n if max_target_nodes:\n self.data = [i for i in self.data if len(i[1].x.numpy()) <= max_target_nodes]\n if min_ligand_nodes:\n self.data = [i for i in self.data if len(i[0].x.numpy()) >= min_ligand_nodes]\n if max_ligand_nodes:\n self.data = [i for i in self.data if len(i[0].x.numpy()) <= max_ligand_nodes]\n \n def len(self):\n return len(self.data)\n\n def get(self, idx):\n return self.data[idx]\n \n \ndef compute_clusters(data, n_clusters):\n X = data[1].pos.numpy()\n connectivity = torch_geometric.utils.to_scipy_sparse_matrix(data[1].edge_index)\n \n if len(X) > n_clusters:\n ward = AgglomerativeClustering(n_clusters=n_clusters, connectivity=connectivity, linkage='ward').fit(X)\n data[1].clus = torch.tensor(ward.labels_)\n else:\n data[1].clus = torch.tensor(range(len(X)))\n \n return data\n\n\ndef compute_cluster_batch_index(cluster, batch):\n max_prev_batch = 0\n for i in range(batch.max().item()+1):\n cluster[batch == i] += max_prev_batch\n max_prev_batch = cluster[batch == i].max().item() + 1\n return cluster\n \n\ndef Mol2MolSupplier (file=None, sanitize=True, cleanupSubstructures=True):\n # Taken from https://chem-workflows.com/articles/2020/03/23/building-a-multi-molecule-mol2-reader-for-rdkit-v2/\n mols=[]\n with open(file, 'r') as f:\n doc=[line for line in f.readlines()]\n\n start=[index for (index,p) in enumerate(doc) if '@MOLECULE' in p]\n finish=[index-1 for (index,p) in enumerate(doc) if '@MOLECULE' in p]\n finish.append(len(doc))\n \n try:\n name=[doc[index].rstrip().split('\\t')[-1] for (index,p) in enumerate(doc) if 'Name' in p]\n except:\n pass\n \n interval=list(zip(start,finish[1:]))\n for n, i in enumerate(interval):\n block = \",\".join(doc[i[0]:i[1]]).replace(',','')\n m = Chem.MolFromMol2Block(block, sanitize=sanitize, cleanupSubstructures=cleanupSubstructures)\n if m is not None:\n if name:\n m.SetProp('Name',name[n])\n mols.append(m)\n\n return(mols)\n \n \n \n" }, { "path": "deepdock/utils/distributions.py", "content": "import torch\nfrom torch.distributions.distribution import Distribution\nfrom torch.distributions import Categorical\nfrom torch.distributions import constraints\n\n\n# Taken from https://github.com/pytorch/pytorch/blob/master/torch/distributions/mixture_same_family.py\n\nclass MixtureSameFamily(Distribution):\n r\"\"\"\n The `MixtureSameFamily` distribution implements a (batch of) mixture\n distribution where all component are from different parameterizations of\n the same distribution type. It is parameterized by a `Categorical`\n \"selecting distribution\" (over `k` component) and a component\n distribution, i.e., a `Distribution` with a rightmost batch shape\n (equal to `[k]`) which indexes each (batch of) component.\n Examples::\n # Construct Gaussian Mixture Model in 1D consisting of 5 equally\n # weighted normal distributions\n >>> mix = D.Categorical(torch.ones(5,))\n >>> comp = D.Normal(torch.randn(5,), torch.rand(5,))\n >>> gmm = MixtureSameFamily(mix, comp)\n # Construct Gaussian Mixture Modle in 2D consisting of 5 equally\n # weighted bivariate normal distributions\n >>> mix = D.Categorical(torch.ones(5,))\n >>> comp = D.Independent(D.Normal(\n torch.randn(5,2), torch.rand(5,2)), 1)\n >>> gmm = MixtureSameFamily(mix, comp)\n # Construct a batch of 3 Gaussian Mixture Models in 2D each\n # consisting of 5 random weighted bivariate normal distributions\n >>> mix = D.Categorical(torch.rand(3,5))\n >>> comp = D.Independent(D.Normal(\n torch.randn(3,5,2), torch.rand(3,5,2)), 1)\n >>> gmm = MixtureSameFamily(mix, comp)\n Args:\n mixture_distribution: `torch.distributions.Categorical`-like\n instance. Manages the probability of selecting component.\n The number of categories must match the rightmost batch\n dimension of the `component_distribution`. Must have either\n scalar `batch_shape` or `batch_shape` matching\n `component_distribution.batch_shape[:-1]`\n component_distribution: `torch.distributions.Distribution`-like\n instance. Right-most batch dimension indexes component.\n \"\"\"\n arg_constraints = {}\n has_rsample = False\n\n def __init__(self,\n mixture_distribution,\n component_distribution,\n validate_args=None):\n self._mixture_distribution = mixture_distribution\n self._component_distribution = component_distribution\n\n if not isinstance(self._mixture_distribution, Categorical):\n raise ValueError(\" The Mixture distribution needs to be an \"\n \" instance of torch.distribtutions.Categorical\")\n\n if not isinstance(self._component_distribution, Distribution):\n raise ValueError(\"The Component distribution need to be an \"\n \"instance of torch.distributions.Distribution\")\n\n # Check that batch size matches\n mdbs = self._mixture_distribution.batch_shape\n cdbs = self._component_distribution.batch_shape[:-1]\n for size1, size2 in zip(reversed(mdbs), reversed(cdbs)):\n if size1 != 1 and size2 != 1 and size1 != size2:\n raise ValueError(\"`mixture_distribution.batch_shape` ({0}) is not \"\n \"compatible with `component_distribution.\"\n \"batch_shape`({1})\".format(mdbs, cdbs))\n\n # Check that the number of mixture component matches\n km = self._mixture_distribution.logits.shape[-1]\n kc = self._component_distribution.batch_shape[-1]\n if km is not None and kc is not None and km != kc:\n raise ValueError(\"`mixture_distribution component` ({0}) does not\"\n \" equal `component_distribution.batch_shape[-1]`\"\n \" ({1})\".format(km, kc))\n self._num_component = km\n\n event_shape = self._component_distribution.event_shape\n self._event_ndims = len(event_shape)\n super(MixtureSameFamily, self).__init__(batch_shape=cdbs,\n event_shape=event_shape,\n validate_args=validate_args)\n\n def expand(self, batch_shape, _instance=None):\n batch_shape = torch.Size(batch_shape)\n batch_shape_comp = batch_shape + (self._num_component,)\n new = self._get_checked_instance(MixtureSameFamily, _instance)\n new._component_distribution = \\\n self._component_distribution.expand(batch_shape_comp)\n new._mixture_distribution = \\\n self._mixture_distribution.expand(batch_shape)\n new._num_component = self._num_component\n new._event_ndims = self._event_ndims\n event_shape = new._component_distribution.event_shape\n super(MixtureSameFamily, new).__init__(batch_shape=batch_shape,\n event_shape=event_shape,\n validate_args=False)\n new._validate_args = self._validate_args\n return new\n\n @constraints.dependent_property\n def support(self):\n # FIXME this may have the wrong shape when support contains batched \n # parameters\n return self._component_distribution.support\n\n @property\n def mixture_distribution(self):\n return self._mixture_distribution\n\n @property\n def component_distribution(self):\n return self._component_distribution\n\n @property\n def mean(self):\n probs = self._pad_mixture_dimensions(self.mixture_distribution.probs)\n return torch.sum(probs * self.component_distribution.mean,\n dim=-1 - self._event_ndims) # [B, E]\n\n @property\n def variance(self):\n # Law of total variance: Var(Y) = E[Var(Y|X)] + Var(E[Y|X])\n probs = self._pad_mixture_dimensions(self.mixture_distribution.probs)\n mean_cond_var = torch.sum(probs * self.component_distribution.variance,\n dim=-1 - self._event_ndims)\n var_cond_mean = torch.sum(probs * (self.component_distribution.mean -\n self._pad(self.mean)).pow(2.0),\n dim=-1 - self._event_ndims)\n return mean_cond_var + var_cond_mean\n\n def cdf(self, x):\n x = self._pad(x)\n cdf_x = self.component_distribution.cdf(x)\n mix_prob = self.mixture_distribution.probs\n\n return torch.sum(cdf_x * mix_prob, dim=-1)\n\n def log_prob(self, x):\n x = self._pad(x)\n log_prob_x = self.component_distribution.log_prob(x) # [S, B, k]\n log_mix_prob = torch.log_softmax(self.mixture_distribution.logits,\n dim=-1) # [B, k]\n return torch.logsumexp(log_prob_x + log_mix_prob, dim=-1) # [S, B]\n\n def sample(self, sample_shape=torch.Size()):\n with torch.no_grad():\n sample_len = len(sample_shape)\n batch_len = len(self.batch_shape)\n gather_dim = sample_len + batch_len\n es = self.event_shape\n\n # mixture samples [n, B]\n mix_sample = self.mixture_distribution.sample(sample_shape)\n mix_shape = mix_sample.shape\n\n # component samples [n, B, k, E]\n comp_samples = self.component_distribution.sample(sample_shape)\n\n # Gather along the k dimension\n mix_sample_r = mix_sample.reshape(\n mix_shape + torch.Size([1] * (len(es) + 1)))\n mix_sample_r = mix_sample_r.repeat(\n torch.Size([1] * len(mix_shape)) + torch.Size([1]) + es)\n\n samples = torch.gather(comp_samples, gather_dim, mix_sample_r)\n return samples.squeeze(gather_dim)\n\n def _pad(self, x):\n return x.unsqueeze(-1 - self._event_ndims)\n\n def _pad_mixture_dimensions(self, x):\n dist_batch_ndims = self.batch_shape.numel()\n cat_batch_ndims = self.mixture_distribution.batch_shape.numel()\n pad_ndims = 0 if cat_batch_ndims == 1 else \\\n dist_batch_ndims - cat_batch_ndims\n xs = x.shape\n x = x.reshape(xs[:-1] + torch.Size(pad_ndims * [1]) +\n xs[-1:] + torch.Size(self._event_ndims * [1]))\n return x\n\n def __repr__(self):\n args_string = '\\n {},\\n {}'.format(self.mixture_distribution,\n self.component_distribution)\n return 'MixtureSameFamily' + '(' + args_string + ')'" }, { "path": "deepdock/utils/mol2graph.py", "content": "import numpy as np\nfrom rdkit.Chem import AllChem, Draw, Descriptors, rdMolTransforms\nimport rdkit.Chem as Chem\nimport rdkit.Chem.rdMolDescriptors as rdMolDescriptors\nimport rdkit.Chem.EState as EState\nimport rdkit.Chem.rdPartialCharges as rdPartialCharges\nimport rdkit.Chem.rdChemReactions as rdRxns\nimport copy\natt_dtype = np.float32\n\nimport networkx as nx\n\n\ndef oneHotVector(val, lst):\n '''Converts a value to a one-hot vector based on options in lst'''\n if val not in lst:\n val = lst[-1]\n return map(lambda x: x == val, lst)\n\ndef mol_to_nx(mol):\n G = nx. Graph()\n \n # Globals.\n G.graph[\"features\"] = np.array([None], dtype = np.float32)\n atomCoords = mol.GetConformer().GetPositions()\n\n for i, atom in enumerate(mol.GetAtoms()):\n if atom.GetAtomicNum() == 1: continue\n G.add_node(atom.GetIdx(),\n pos = atomCoords[i],\n x=np.array(list(oneHotVector(atom.GetAtomicNum(),\n [4, 5, 6, 7, 8, 9, 12, 14, 15, 16, 17, 23, 26, 27, 29, 30, 33, 34, 35, 44, 45, 51, 53, 75, 76, 77, 78, 80])), \n dtype = np.float32))\n \n for bond in mol.GetBonds():\n if mol.GetAtomWithIdx(bond.GetBeginAtomIdx()).GetAtomicNum() == 1: continue\n if mol.GetAtomWithIdx(bond.GetEndAtomIdx()).GetAtomicNum() == 1: continue\n isConjugated = 1 if bond.GetIsConjugated() and not bond.GetIsAromatic() else 0\n G.add_edge(bond.GetBeginAtomIdx(),\n bond.GetEndAtomIdx(),\n edge_attr=np.array(list(oneHotVector(bond.GetBondTypeAsDouble(), \n [1.0, 1.5, 2.0, 3.0, 99.0]))+[isConjugated], \n dtype = np.float32))\n '''\n try:\n conf = mol.GetConformer()\n for i in range(0, mol.GetNumAtoms()-1):\n for j in range(i+1,mol.GetNumAtoms()):\n if mol.GetBondBetweenAtoms(i,j)==None:\n ShortestPath = Chem.rdmolops.GetShortestPath(mol, i,j)\n dist=Chem.rdMolTransforms.GetBondLength(conf,i,j)\n if (dist <= 10. and len(ShortestPath) > 4):\n G.add_edge(i, j, bond_type=None, features=np.array([0.,0.,0.,0.,0.,dist], dtype = np.float32))\n except:pass\n '''\n return G\n\n\ndef get_bonds(mol_list, bidirectional=True):\n atom_counter=0\n bonds = []\n dist = []\n for m in mol_list:\n for x in m.GetBonds():\n conf = m.GetConformer()\n bonds.extend([(x.GetBeginAtomIdx()+atom_counter, x.GetEndAtomIdx()+atom_counter)])\n dist.extend([rdMolTransforms.GetBondLength(conf,x.GetBeginAtomIdx(), x.GetEndAtomIdx())])\n if bidirectional:\n bonds.extend([(x.GetEndAtomIdx()+atom_counter, x.GetBeginAtomIdx()+atom_counter)])\n dist.extend([rdMolTransforms.GetBondLength(conf,x.GetEndAtomIdx(), x.GetBeginAtomIdx())])\n atom_counter += m.GetNumAtoms()\n return bonds, dist\n\n\ndef get_angles(mol_list, bidirectional=True):\n atom_counter = 0\n bendList = []\n angleList = []\n for m in mol_list:\n bendSmarts = '*~*~*'\n bendQuery = Chem.MolFromSmarts(bendSmarts)\n matches = m.GetSubstructMatches(bendQuery)\n conf = m.GetConformer()\n for match in matches:\n idx0 = match[0]\n idx1 = match[1]\n idx2 = match[2]\n bendList.append((idx0+atom_counter, idx1+atom_counter, idx2+atom_counter))\n angleList.append(rdMolTransforms.GetAngleRad(conf, idx0, idx1, idx2))\n if bidirectional:\n bendList.append((idx2+atom_counter, idx1+atom_counter, idx0+atom_counter))\n angleList.append(rdMolTransforms.GetAngleRad(conf, idx2, idx1, idx0))\n atom_counter += m.GetNumAtoms()\n return bendList, angleList\n\n\ndef get_torsions(mol_list, bidirectional=True):\n atom_counter=0\n torsionList = []\n dihedralList = []\n for m in mol_list:\n torsionSmarts = '[!$(*#*)&!D1]~[!$(*#*)&!D1]'\n torsionQuery = Chem.MolFromSmarts(torsionSmarts)\n matches = m.GetSubstructMatches(torsionQuery)\n conf = m.GetConformer()\n for match in matches:\n idx2 = match[0]\n idx3 = match[1]\n bond = m.GetBondBetweenAtoms(idx2, idx3)\n jAtom = m.GetAtomWithIdx(idx2)\n kAtom = m.GetAtomWithIdx(idx3)\n if (((jAtom.GetHybridization() != Chem.HybridizationType.SP2)\n and (jAtom.GetHybridization() != Chem.HybridizationType.SP3))\n or ((kAtom.GetHybridization() != Chem.HybridizationType.SP2)\n and (kAtom.GetHybridization() != Chem.HybridizationType.SP3))):\n continue\n for b1 in jAtom.GetBonds():\n if (b1.GetIdx() == bond.GetIdx()):\n continue\n idx1 = b1.GetOtherAtomIdx(idx2)\n for b2 in kAtom.GetBonds():\n if ((b2.GetIdx() == bond.GetIdx())\n or (b2.GetIdx() == b1.GetIdx())):\n continue\n idx4 = b2.GetOtherAtomIdx(idx3)\n # skip 3-membered rings\n if (idx4 == idx1):\n continue\n torsionList.append((idx1+atom_counter, idx2+atom_counter, idx3+atom_counter, idx4+atom_counter))\n dihedralList.append(rdMolTransforms.GetDihedralRad(conf, idx1, idx2, idx3, idx4))\n if bidirectional:\n torsionList.append((idx4+atom_counter, idx3+atom_counter, idx2+atom_counter, idx1+atom_counter))\n dihedralList.append(rdMolTransforms.GetDihedralRad(conf, idx4, idx3, idx2, idx1))\n atom_counter += m.GetNumAtoms()\n return torsionList, dihedralList\n\n\ndef mol_with_atom_index( mol ):\n atoms = mol.GetNumAtoms()\n for idx in range( atoms ):\n mol.GetAtomWithIdx( idx ).SetProp( 'molAtomMapNumber', str( mol.GetAtomWithIdx( idx ).GetIdx() ) )\n return mol\n\ndef atomenvironments(mol, radius=3):\n envs = []\n for a in mol.GetAtoms():\n idx = a.GetIdx()\n env = Chem.FindAtomEnvironmentOfRadiusN(mol, radius, idx)\n amap = {}\n submol=Chem.PathToSubmol(mol, env, atomMap=amap)\n if amap.get(idx) is not None:\n envs.append(Chem.MolToSmarts(submol))\n return envs\n" }, { "path": "examples/Docking_example.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# DeepDock example\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"This notebook is an example of how to do molecular docking using DeepDock. We show how to prepare the target to to generate a mesh file and how to use it for docking.\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Target mesh generation\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Load required libraries for target mesh generation\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [12:35:45] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n }\n ],\n \"source\": [\n \"from deepdock.prepare_target.computeTargetMesh import compute_inp_surface\\n\",\n \"import trimesh\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Copy data from deepdock installation folder (deepdock/data)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"import deepdock \\n\",\n \"copy_pdb = 'cp '+deepdock.__path__[0]+'/../data/1z6e_protein.pdb .'\\n\",\n \"copy_mol2 = 'cp '+deepdock.__path__[0]+'/../data/1z6e_ligand.mol2 .'\\n\",\n \"!$copy_pdb\\n\",\n \"!$copy_mol2\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Define the file with the PDB of the target and the mol2 file of the co-crystalized ligand. \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"basename = '1z6e_protein'\\n\",\n \"target_filename = basename+'.pdb' \\n\",\n \"ligand_filename = '1z6e_ligand.mol2'\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Compute the target mesh. This will create a .ply file that contains the mesh information and a pdb that defines a the binding site around the co-crystalized ligand\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"compute_inp_surface(target_filename, ligand_filename, dist_threshold=10)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"You can visualize the target mesh with the following commands\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Number of nodes: 743\\n\"\n ]\n },\n {\n \"data\": {\n \"text/html\": [\n \"\"\n ],\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 5,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"mesh = trimesh.load_mesh(basename+'.ply')\\n\",\n \"print('Number of nodes: ', len(mesh.vertices))\\n\",\n \"mesh.show()\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Binding conformation prediction usign DeepDock\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Load required libraries for docking\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"from rdkit import Chem\\n\",\n \"import deepdock\\n\",\n \"from deepdock.models import *\\n\",\n \"from deepdock.DockingFunction import dock_compound, get_random_conformation\\n\",\n \"\\n\",\n \"import numpy as np\\n\",\n \"import torch\\n\",\n \"# set the random seeds for reproducibility\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Define the DeepDock model to use\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Load pretrained model.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 7,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"checkpoint = torch.load(deepdock.__path__[0]+'/../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk', map_location=torch.device(device))\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Define the path to the .ply file containing the target mesh and load the ligand as RDKIT ligand. Molecule can be loaded from any file type or smiles as long it is readable by RDKIT. It is recommended to start from a 3D molecule with all isomers defined. If starting from a SMILES the code will generate 3D coordinates and minimize them usign MMFF94. \\n\",\n \"\\n\",\n \"**Important:** As with every docking software, DeepDock is very susceptible to ligand preparation. In general we recommend to use the same ligand preparation steps that were used to prepare the training data, in this case PDBbind. If that is not possible, at lease use mol2 produced by Corina for compound containg chemical groups with conjugated bonds (eg. carboxylates, phosphates, sulphates, etc) since bond deffinition can change and can have great impact on results.\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 8,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"target_ply = '1z6e_protein.ply'\\n\",\n \"real_mol = Chem.MolFromMol2File('1z6e_ligand.mol2',sanitize=False, cleanupSubstructures=False)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"The following compound computes the ligand binding conformation usign DeepDock. It returns the optimized molecule and the results from differential evolution algorithm\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 9,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \" fun: array([-258.85778592])\\n\",\n \" jac: array([-1.69022309e+02, 1.71047907e+02, -1.14398853e+02, 5.30523039e+01,\\n\",\n \" 6.62718094e+00, -3.20072161e+01, 8.05214995e+01, 1.03612922e+02,\\n\",\n \" 9.26440066e+01, 1.17157697e+00, -4.24169684e+01, -2.28344220e+01,\\n\",\n \" 9.42156930e-01, 1.19297283e-01])\\n\",\n \" message: 'Optimization terminated successfully.'\\n\",\n \" nfev: 49853\\n\",\n \" nit: 316\\n\",\n \" num_MixOfGauss: 517\\n\",\n \" num_atoms: 38\\n\",\n \" num_rotbonds: 8\\n\",\n \" rotbonds: [(14, 15, 7, 8), (22, 9, 21, 4), (23, 22, 9, 21), (8, 17, 20, 0), (7, 19, 21, 4), (29, 28, 25, 24), (28, 32, 34, 35), (32, 34, 35, 36)]\\n\",\n \" success: True\\n\",\n \" x: array([-0.99374445, -2.56988637, -3.12112576, 10.60745797, 27.68033189,\\n\",\n \" 56.43378115, -1.93031307, 0.15773386, -0.30088624, -1.9763511 ,\\n\",\n \" -0.61640145, 0.54661285, 2.04593077, 0.16918374])\\n\"\n ]\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 9,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"opt_mol, init_mol, result = dock_compound(real_mol, target_ply, model, dist_threshold=3., popsize=150, seed=123, device=device)\\n\",\n \"print(result)\\n\",\n \"opt_mol\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"**Results** \\\\\\n\",\n \"fun: negative Score of the predicted molecule \\\\\\n\",\n \"jac: \\\\\\n\",\n \"message: Indicates if optimization finished correctly \\\\\\n\",\n \"nfev: 42666 \\\\\\n\",\n \"nit: number of iterations used to converge \\\\\\n\",\n \"num_MixOfGauss: Number of mixture of guassians used to score the final molecule \\\\\\n\",\n \"num_atoms: Number of heavy atoms in theligand \\\\\\n\",\n \"num_rotbonds: Number of rotatable bonds in the ligand \\\\\\n\",\n \"rotbonds: Rotatable bond in the ligand \\\\\\n\",\n \"success: True or Fail depending if the optimization converged \\\\\\n\",\n \"x: Final values to transform original molecule into the oenn with predicted binding conformation\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"You can visualize the bound ligand to the target using py3Dmol. This cell show code to visualze the predicted molecule (gray) and the co-crystalized molecule (red) and the starting conformation used by DeepDock (blue). \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 10,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"import py3Dmol\\n\",\n \"p = py3Dmol.view(width=400,height=400)\\n\",\n \"with open('1z6e_protein.pdb') as ifile:\\n\",\n \" target = \\\"\\\".join([x for x in ifile])\\n\",\n \"p.addModelsAsFrames(target)\\n\",\n \"p.addModel(Chem.MolToMolBlock(real_mol),'sdf')\\n\",\n \"p.addModel(Chem.MolToMolBlock(opt_mol),'sdf')\\n\",\n \"p.addModel(Chem.MolToMolBlock(init_mol),'sdf')\\n\",\n \"\\n\",\n \"tar = {'model':0}\\n\",\n \"lig_real = {'model':1}\\n\",\n \"lig_opt = {'model':2}\\n\",\n \"lig_init = {'model':3}\\n\",\n \"\\n\",\n \"p.setStyle(tar, {'cartoon': {'color':'gray'}})\\n\",\n \"#p.addSurface(py3Dmol.VDW,{'opacity':0.7,'color':'white'}, res)\\n\",\n \"p.setStyle(lig_real,{'stick':{'color':'red'}})\\n\",\n \"p.setStyle(lig_init,{'stick':{'color':'blue'}})\\n\",\n \"p.setStyle(lig_opt,{'stick':{}})\\n\",\n \"\\n\",\n \"p.zoomTo()\\n\",\n \"p.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python 3\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.9\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "examples/Score_example.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Score compounds usign DeepDock\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"This notebook is an example of how to score compounds using DeepDock.\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Score a single ligand conformation usign DeepDock\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Load required libraries for scoring compounds\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [10:15:52] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n }\n ],\n \"source\": [\n \"from rdkit import Chem\\n\",\n \"import deepdock\\n\",\n \"from deepdock.models import *\\n\",\n \"from deepdock.DockingFunction import score_compound\\n\",\n \"from deepdock.DockingFunction import calculate_atom_contribution\\n\",\n \"\\n\",\n \"import numpy as np\\n\",\n \"import torch\\n\",\n \"# set the random seeds for reproducibility\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Define the DeepDock model to use\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Load pretrained model.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 3,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"checkpoint = torch.load(deepdock.__path__[0]+'/../Trained_models/DeepDock_pdbbindv2019_13K_minTestLoss.chk', map_location=torch.device(device))\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"Define the path to the .ply file containing the target mesh and load the ligand as RDKIT molecule. Ligands must have 3D coordinates in order to be scored.\\n\",\n \"\\n\",\n \"**Important:** As with every docking software, DeepDock is very susceptible to ligand preparation. In general we recommend to use the same ligand preparation steps that were used to prepare the training data, in this case PDBbind. If that is not possible, at lease use mol2 produced by Corina for compound containg chemical groups with conjugated bonds (eg. carboxylates, phosphates, sulphates, etc) since bond deffinition can change and can have great impact on results.\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"target_ply = deepdock.__path__[0]+'/../data/1z6e_protein.ply'\\n\",\n \"real_mol = Chem.MolFromMol2File(deepdock.__path__[0]+'/../data/1z6e_ligand.mol2',sanitize=False, cleanupSubstructures=False)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"This coode is just to visualize the ligand-target complex that will be scored\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"import py3Dmol\\n\",\n \"p = py3Dmol.view(width=400,height=400)\\n\",\n \"with open(deepdock.__path__[0]+'/../data/1z6e_protein.pdb') as ifile:\\n\",\n \" target = \\\"\\\".join([x for x in ifile])\\n\",\n \"p.addModelsAsFrames(target)\\n\",\n \"p.addModel(Chem.MolToMolBlock(real_mol),'sdf')\\n\",\n \"\\n\",\n \"tar = {'model':0}\\n\",\n \"lig_real = {'model':1}\\n\",\n \"\\n\",\n \"p.setStyle(tar, {'cartoon': {'color':'gray'}})\\n\",\n \"#p.addSurface(py3Dmol.VDW,{'opacity':0.7,'color':'white'}, res)\\n\",\n \"p.setStyle(lig_real,{'stick':{}})\\n\",\n \"\\n\",\n \"p.zoomTo()\\n\",\n \"p.show()\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"This is the command that actually scores the ligand-target complex using the DeepDock model defined above. The resulting score is the sum of all distance likelihoods between the ligadn atoms and target mesh nodes.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"array([251.22074199])\"\n ]\n },\n \"execution_count\": 6,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"score = score_compound(real_mol, target_ply, model, dist_threshold=3., seed=123, device=device)\\n\",\n \"score\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"You can calculate how every atom in the molecule is contributing to the score. This contribution is based on the likelihood of each particular atom to be interacting with the nodes surrounding it based on the output of the model. The folowwing like outputs these contributions and the score.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"[array([ 3.81165671, 1.42358881, 5.42182576, 11.61215299, 4.98728106,\\n\",\n \" 11.28165011, 9.39690998, 8.77663086, 5.39076678, 1.44047918,\\n\",\n \" 20.85658908, 21.77309461, 21.0632205 , 12.05258018, 9.61994116,\\n\",\n \" 9.50207938, 13.14690215, 5.18159764, 3.37692012, 5.30591832,\\n\",\n \" 6.34218453, 4.07963694, 1.19272658, 1.5052898 , 3.32357844,\\n\",\n \" 5.11200427, 3.10645535, 2.01345929, 5.91734333, 9.68061686,\\n\",\n \" 10.74295356, 4.87267326, 2.86315552, 0.8759973 , 0.86187015,\\n\",\n \" 0.54276024, 1.96273869, 0.80352662])]\"\n ]\n },\n \"execution_count\": 7,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"score, contributions = calculate_atom_contribution(real_mol, target_ply, model, dist_threshold=3., seed=123, device=device)\\n\",\n \"contributions\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"The contributions can be easily visualized using the following lines\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 8,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"from rdkit.Chem.Draw import SimilarityMaps\\n\",\n \"\\n\",\n \"mol_2d = Chem.RemoveHs(real_mol) #Remove hydrogens from the molecule since DeepDock doesn't take H's into account\\n\",\n \"mol_2d.RemoveAllConformers() # Creates a 2D visualization of the molecule\\n\",\n \"fig = SimilarityMaps.GetSimilarityMapFromWeights(mol_2d, contributions[0], contourLines=20)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Score compounds in batch usign DeepDock\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"You can also use DeepDock to score many ligand-target complexes at the same time which results in accelerates the process. For this we make use of the batch mode of in which sevelar complexes are feed into the model.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import pandas as pd\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"For this example we will use all complexes in CASF2-2016 previosuly prepared. The DataLoader takes the complexes and feed them into the model by groups. The size of the group (i.e. number of complexes scored at the same time) is given by the batch_size. This number depends on the computational resources availabe (mainly RAM) and the size of the target mesh.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 8,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"casf2016 = torch.load(deepdock.__path__[0]+'/../data/dataset_CASF-2016_285.tar')\\n\",\n \"loader = DataLoader(casf2016, batch_size=20, shuffle=False)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"This code just loops over the DataLoader making sure all complexes in groups of 20 are scored. At the end it groups the results in a pandas dataframe for easy visualization.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 9,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"CPU times: user 4min 25s, sys: 23 s, total: 4min 48s\\n\",\n \"Wall time: 1min 23s\\n\"\n ]\n },\n {\n \"data\": {\n \"text/html\": [\n \"
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PDB_IDScore
04k1864.25374156223134
14qac83.28442756145884
21o3f187.71326249501382
34ih735.63042398455328
43dx149.94478553628178
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" PDB_ID Score\\n\",\n \"0 4k18 64.25374156223134\\n\",\n \"1 4qac 83.28442756145884\\n\",\n \"2 1o3f 187.71326249501382\\n\",\n \"3 4ih7 35.63042398455328\\n\",\n \"4 3dx1 49.94478553628178\"\n ]\n },\n \"execution_count\": 9,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"results = []\\n\",\n \"\\n\",\n \"for data in loader:\\n\",\n \" ligand, target, _, pdbid = data\\n\",\n \" score = score_compound(ligand, target, model, dist_threshold=3., seed=123, device=device)\\n\",\n \" results.append(np.concatenate([np.expand_dims(pdbid, axis=1), np.expand_dims(score, axis=1)], axis=1))\\n\",\n \"\\n\",\n \"results = np.concatenate(results, axis=0)\\n\",\n \"results = pd.DataFrame(np.asarray(results), columns=['PDB_ID', 'Score'])\\n\",\n \"results.head()\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"### Create your own database to do score in batch\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"You can also create a dataset to score compounds in batch. The following code shows how to prepare. your data to be used in this way.\\n\",\n \"\\n\",\n \"First you need to list the path of your ligads mol2 and your target ply files.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 10,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"pdb_list = ['2wtv', '2yge', '4f2w', '4ivd', '2br1']\\n\",\n \"mol_files = [deepdock.__path__[0]+'/../data/'+pdb+ '_ligand.mol2' for pdb in pdb_list]\\n\",\n \"target_files = [deepdock.__path__[0]+'/../data/'+pdb+ '_protein.ply' for pdb in pdb_list]\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"This code prepares the data set to be user by DeepDock directly. This can be modified as needed by specific projects.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 11,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"from deepdock.utils.data import *\\n\",\n \"\\n\",\n \"def prepare_data(mol_file, target_file, name):\\n\",\n \" mol = Chem.MolFromMol2File(mol_file, sanitize=False, cleanupSubstructures=False)\\n\",\n \" if mol is not None:\\n\",\n \" mol = from_networkx(mol2graph.mol_to_nx(mol))\\n\",\n \" else:\\n\",\n \" mol = np.nan\\n\",\n \" target = Cartesian()(FaceToEdge()(read_ply(target_file)))\\n\",\n \" return mol, target, name\\n\",\n \" \\n\",\n \"data = [prepare_data(m, t, n) for m, t, n in zip(mol_files, target_files, pdb_list)]\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"As shown above this piece of code just set the DataLoader and makes a loop in order to score all compounds at the same time.\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 12,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/html\": [\n \"
\\n\",\n \"\\n\",\n \"\\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \" \\n\",\n \"
PDB_IDScore
02wtv237.5239720551654
12yge79.25612652227308
24f2w179.33480891217908
34ivd230.79213076899106
42br1203.16007396610786
\\n\",\n \"
\"\n ],\n \"text/plain\": [\n \" PDB_ID Score\\n\",\n \"0 2wtv 237.5239720551654\\n\",\n \"1 2yge 79.25612652227308\\n\",\n \"2 4f2w 179.33480891217908\\n\",\n \"3 4ivd 230.79213076899106\\n\",\n \"4 2br1 203.16007396610786\"\n ]\n },\n \"execution_count\": 12,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"loader = DataLoader(data, batch_size=20, shuffle=False)\\n\",\n \"results = []\\n\",\n \"\\n\",\n \"for data in loader:\\n\",\n \" ligand, target, pdbid = data\\n\",\n \" score = score_compound(ligand, target, model, dist_threshold=3., seed=123, device=device)\\n\",\n \" results.append(np.concatenate([np.expand_dims(pdbid, axis=1), np.expand_dims(score, axis=1)], axis=1))\\n\",\n \"\\n\",\n \"results = np.concatenate(results, axis=0)\\n\",\n \"results = pd.DataFrame(np.asarray(results), columns=['PDB_ID', 'Score'])\\n\",\n \"results.head()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python 3\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.9\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "examples/Train_DeepDock.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"RDKit WARNING: [08:35:52] Enabling RDKit 2019.09.1 jupyter extensions\\n\"\n ]\n }\n ],\n \"source\": [\n \"from torch_geometric.data import DataLoader\\n\",\n \"import torch.distributions as D\\n\",\n \"import matplotlib.pyplot as plt\\n\",\n \"from rdkit import Chem, DataStructs\\n\",\n \"from rdkit.Chem import AllChem, Draw, Descriptors, rdMolTransforms\\n\",\n \"from rdkit import rdBase\\n\",\n \"from datetime import datetime\\n\",\n \"import glob\\n\",\n \"import os\\n\",\n \"\\n\",\n \"import deepdock\\n\",\n \"from deepdock.utils.distributions import *\\n\",\n \"from deepdock.utils.data import *\\n\",\n \"from deepdock.models import *\\n\",\n \"\\n\",\n \"# set the random seeds for reproducibility\\n\",\n \"np.random.seed(123)\\n\",\n \"torch.cuda.manual_seed_all(123)\\n\",\n \"torch.manual_seed(123)\\n\",\n \"\\n\",\n \"%matplotlib inline\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Complexes in training set: 15000\\n\",\n \"Complexes in test set: 1367\\n\",\n \"CPU times: user 3.65 s, sys: 9 s, total: 12.7 s\\n\",\n \"Wall time: 12.7 s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"db_complex = PDBbind_complex_dataset(data_path=deepdock.__path__[0]+'/../data/dataset_deepdock_pdbbind_v2019_16K.tar', \\n\",\n \" min_target_nodes=50, max_ligand_nodes=None)\\n\",\n \"db_complex = db_complex.shuffle()\\n\",\n \"db_complex_train = db_complex[:15000]\\n\",\n \"db_complex_test = db_complex[15000:]\\n\",\n \"pdbIDs_test = [db_complex_test.data[i][3] for i in db_complex_test.indices()]\\n\",\n \"pdbIDs_train = [db_complex_train.data[i][3] for i in db_complex_train.indices()]\\n\",\n \"print('Complexes in training set:', len(db_complex_train))\\n\",\n \"print('Complexes in test set:', len(db_complex_test))\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"device = 'cuda' if torch.cuda.is_available() else 'cpu'\\n\",\n \"\\n\",\n \"ligand_model = LigandNet(28, residual_layers=10, dropout_rate=0.10)\\n\",\n \"target_model = TargetNet(4, residual_layers=10, dropout_rate=0.10)\\n\",\n \"model = DeepDock(ligand_model, target_model, hidden_dim=64, n_gaussians=10, dropout_rate=0.10, dist_threhold=7.).to(device)\\n\",\n \"\\n\",\n \"optimizer = torch.optim.Adam(model.parameters(), lr=0.002)\\n\",\n \"\\n\",\n \"epochs = 150\\n\",\n \"batch_size = 16\\n\",\n \"save_each=25\\n\",\n \"aux_weight = 0.001\\n\",\n \"losses = []\\n\",\n \"loader_train = DataLoader(db_complex_train, batch_size=batch_size, shuffle=True)\\n\",\n \"loader_test = DataLoader(db_complex_test, batch_size=batch_size, shuffle=False)\"\n ]\n },\n {\n \"cell_type\": \"raw\",\n \"metadata\": {},\n \"source\": [\n \"# Load Checkpoint\\n\",\n \"l = pd.read_csv('DeepDock_pdbbindv2019_13K_loss.csv')\\n\",\n \"l = l[l.columns[1:]]\\n\",\n \"losses = l.values.tolist()\\n\",\n \"\\n\",\n \"checkpoint = torch.load('DeepDock_pdbbindv2019_13K_epoch_100.chk')\\n\",\n \"model.load_state_dict(checkpoint['model_state_dict']) \\n\",\n \"optimizer.load_state_dict(checkpoint['optimizer_state_dict'])\\n\",\n \"torch.set_rng_state(checkpoint['rng_state'])\\n\",\n \"\\n\",\n \"#RUN\\n\",\n \"# jupyter nbconvert --to notebook --ExecutePreprocessor.timeout=-1 --ExecutePreprocessor.kernel_name=\\\"python3\\\" --ExecutePreprocessor.allow_errors=True --execute Train_DeepDock.ipynb &\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {\n \"scrolled\": true\n },\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Start date: 14/11/2020 at 08:37:32\\n\",\n \"Epoch: 001, Total Loss: 1.692, MDN: 1.692, Atom: 0.247, Bond: 0.120\\n\",\n \"Epoch: 002, Total Loss: 1.610, MDN: 1.610, Atom: 0.032, Bond: 0.030\\n\",\n \"Epoch: 003, Total Loss: 1.602, MDN: 1.602, Atom: 0.015, Bond: 0.021\\n\",\n \"Epoch: 004, Total Loss: 1.593, MDN: 1.593, Atom: 0.009, Bond: 0.017\\n\",\n \"Epoch: 005, Total Loss: 1.583, MDN: 1.583, Atom: 0.008, Bond: 0.014\\n\",\n \"Epoch: 006, Total Loss: 1.573, MDN: 1.573, Atom: 0.006, Bond: 0.012\\n\",\n \"Epoch: 007, Total Loss: 1.561, MDN: 1.561, Atom: 0.006, Bond: 0.011\\n\",\n \"Epoch: 008, Total Loss: 1.556, MDN: 1.556, Atom: 0.005, Bond: 0.011\\n\",\n \"Epoch: 009, Total Loss: 1.547, MDN: 1.547, Atom: 0.004, Bond: 0.011\\n\",\n \"Epoch: 010, Total Loss: 1.538, MDN: 1.538, Atom: 0.004, Bond: 0.010\\n\",\n \"Epoch: 011, Total Loss: 1.530, MDN: 1.530, Atom: 0.004, Bond: 0.010\\n\",\n \"Epoch: 012, Total Loss: 1.524, MDN: 1.524, Atom: 0.004, Bond: 0.009\\n\",\n \"Epoch: 013, Total Loss: 1.518, MDN: 1.518, Atom: 0.004, Bond: 0.009\\n\",\n \"Epoch: 014, Total Loss: 1.513, MDN: 1.513, Atom: 0.004, Bond: 0.009\\n\",\n \"Epoch: 015, Total Loss: 1.494, MDN: 1.494, Atom: 0.004, Bond: 0.008\\n\",\n \"Epoch: 016, Total Loss: 1.442, MDN: 1.442, Atom: 0.004, Bond: 0.009\\n\",\n \"Epoch: 017, Total Loss: 1.422, MDN: 1.422, Atom: 0.005, Bond: 0.010\\n\",\n \"Epoch: 018, Total Loss: 1.405, MDN: 1.405, Atom: 0.004, Bond: 0.009\\n\",\n \"Epoch: 019, Total Loss: 1.394, MDN: 1.394, Atom: 0.004, Bond: 0.009\\n\",\n \"Epoch: 020, Total Loss: 1.384, MDN: 1.384, Atom: 0.004, Bond: 0.010\\n\",\n \"Epoch: 021, Total Loss: 1.375, MDN: 1.375, Atom: 0.003, Bond: 0.011\\n\",\n \"Epoch: 022, Total Loss: 1.368, MDN: 1.368, Atom: 0.003, Bond: 0.012\\n\",\n \"Epoch: 023, Total Loss: 1.363, MDN: 1.362, Atom: 0.004, Bond: 0.011\\n\",\n \"Epoch: 024, Total Loss: 1.357, MDN: 1.357, Atom: 0.003, Bond: 0.012\\n\",\n \"Epoch: 025, Total Loss: 1.351, MDN: 1.351, Atom: 0.003, Bond: 0.014\\n\",\n \"Epoch: 026, Total Loss: 1.346, MDN: 1.346, Atom: 0.003, Bond: 0.014\\n\",\n \"Epoch: 027, Total Loss: 1.342, MDN: 1.342, Atom: 0.004, Bond: 0.014\\n\",\n \"Epoch: 028, Total Loss: 1.337, MDN: 1.337, Atom: 0.004, Bond: 0.015\\n\",\n \"Epoch: 029, Total Loss: 1.332, MDN: 1.332, Atom: 0.005, Bond: 0.016\\n\",\n \"Epoch: 030, Total Loss: 1.328, MDN: 1.328, Atom: 0.004, Bond: 0.017\\n\",\n \"Epoch: 031, Total Loss: 1.323, MDN: 1.323, Atom: 0.005, Bond: 0.018\\n\",\n \"Epoch: 032, Total Loss: 1.319, MDN: 1.319, Atom: 0.004, Bond: 0.019\\n\",\n \"Epoch: 033, Total Loss: 1.315, MDN: 1.315, Atom: 0.004, Bond: 0.019\\n\",\n \"Epoch: 034, Total Loss: 1.311, MDN: 1.311, Atom: 0.004, Bond: 0.020\\n\",\n \"Epoch: 035, Total Loss: 1.307, MDN: 1.307, Atom: 0.005, Bond: 0.021\\n\",\n \"Epoch: 036, Total Loss: 1.303, MDN: 1.303, Atom: 0.005, Bond: 0.020\\n\",\n \"Epoch: 037, Total Loss: 1.300, MDN: 1.300, Atom: 0.006, Bond: 0.022\\n\",\n \"Epoch: 038, Total Loss: 1.296, MDN: 1.296, Atom: 0.005, Bond: 0.022\\n\",\n \"Epoch: 039, Total Loss: 1.292, MDN: 1.292, Atom: 0.006, Bond: 0.022\\n\",\n \"Epoch: 040, Total Loss: 1.289, MDN: 1.289, Atom: 0.005, Bond: 0.023\\n\",\n \"Epoch: 041, Total Loss: 1.286, MDN: 1.286, Atom: 0.006, Bond: 0.023\\n\",\n \"Epoch: 042, Total Loss: 1.282, MDN: 1.282, Atom: 0.006, Bond: 0.024\\n\",\n \"Epoch: 043, Total Loss: 1.280, MDN: 1.280, Atom: 0.006, Bond: 0.026\\n\",\n \"Epoch: 044, Total Loss: 1.277, MDN: 1.277, Atom: 0.006, Bond: 0.025\\n\",\n \"Epoch: 045, Total Loss: 1.274, MDN: 1.274, Atom: 0.006, Bond: 0.026\\n\",\n \"Epoch: 046, Total Loss: 1.271, MDN: 1.271, Atom: 0.006, Bond: 0.026\\n\",\n \"Epoch: 047, Total Loss: 1.268, MDN: 1.268, Atom: 0.007, Bond: 0.028\\n\",\n \"Epoch: 048, Total Loss: 1.267, MDN: 1.267, Atom: 0.006, Bond: 0.028\\n\",\n \"Epoch: 049, Total Loss: 1.263, MDN: 1.263, Atom: 0.007, Bond: 0.029\\n\",\n \"Epoch: 050, Total Loss: 1.260, MDN: 1.260, Atom: 0.007, Bond: 0.030\\n\",\n \"Epoch: 051, Total Loss: 1.258, MDN: 1.258, Atom: 0.007, Bond: 0.029\\n\",\n \"Epoch: 052, Total Loss: 1.256, MDN: 1.256, Atom: 0.008, Bond: 0.031\\n\",\n \"Epoch: 053, Total Loss: 1.253, MDN: 1.253, Atom: 0.007, Bond: 0.032\\n\",\n \"Epoch: 054, Total Loss: 1.250, MDN: 1.250, Atom: 0.009, Bond: 0.033\\n\",\n \"Epoch: 055, Total Loss: 1.248, MDN: 1.248, Atom: 0.009, Bond: 0.033\\n\",\n \"Epoch: 056, Total Loss: 1.245, MDN: 1.245, Atom: 0.008, Bond: 0.034\\n\",\n \"Epoch: 057, Total Loss: 1.243, MDN: 1.243, Atom: 0.008, Bond: 0.033\\n\",\n \"Epoch: 058, Total Loss: 1.239, MDN: 1.239, Atom: 0.009, Bond: 0.035\\n\",\n \"Epoch: 059, Total Loss: 1.236, MDN: 1.236, Atom: 0.008, Bond: 0.034\\n\",\n \"Epoch: 060, Total Loss: 1.232, MDN: 1.232, Atom: 0.009, Bond: 0.034\\n\",\n \"Epoch: 061, Total Loss: 1.224, MDN: 1.224, Atom: 0.009, Bond: 0.035\\n\",\n \"Epoch: 062, Total Loss: 1.219, MDN: 1.219, Atom: 0.009, Bond: 0.035\\n\",\n \"Epoch: 063, Total Loss: 1.214, MDN: 1.214, Atom: 0.010, Bond: 0.035\\n\",\n \"Epoch: 064, Total Loss: 1.212, MDN: 1.212, Atom: 0.010, Bond: 0.037\\n\",\n \"Epoch: 065, Total Loss: 1.208, MDN: 1.208, Atom: 0.010, Bond: 0.039\\n\",\n \"Epoch: 066, Total Loss: 1.205, MDN: 1.205, Atom: 0.010, Bond: 0.037\\n\",\n \"Epoch: 067, Total Loss: 1.203, MDN: 1.203, Atom: 0.010, Bond: 0.036\\n\",\n \"Epoch: 068, Total Loss: 1.200, MDN: 1.199, Atom: 0.011, Bond: 0.037\\n\",\n \"Epoch: 069, Total Loss: 1.198, MDN: 1.197, Atom: 0.010, Bond: 0.038\\n\",\n \"Epoch: 070, Total Loss: 1.195, MDN: 1.195, Atom: 0.011, Bond: 0.039\\n\",\n \"Epoch: 071, Total Loss: 1.192, MDN: 1.192, Atom: 0.011, Bond: 0.040\\n\",\n \"Epoch: 072, Total Loss: 1.190, MDN: 1.190, Atom: 0.011, Bond: 0.041\\n\",\n \"Epoch: 073, Total Loss: 1.187, MDN: 1.187, Atom: 0.011, Bond: 0.042\\n\",\n \"Epoch: 074, Total Loss: 1.185, MDN: 1.185, Atom: 0.011, Bond: 0.041\\n\",\n \"Epoch: 075, Total Loss: 1.184, MDN: 1.184, Atom: 0.011, Bond: 0.041\\n\",\n \"Epoch: 076, Total Loss: 1.181, MDN: 1.181, Atom: 0.011, Bond: 0.041\\n\",\n \"Epoch: 077, Total Loss: 1.179, MDN: 1.179, Atom: 0.011, Bond: 0.042\\n\",\n \"Epoch: 078, Total Loss: 1.177, MDN: 1.177, Atom: 0.010, Bond: 0.042\\n\",\n \"Epoch: 079, Total Loss: 1.174, MDN: 1.174, Atom: 0.012, Bond: 0.043\\n\",\n \"Epoch: 080, Total Loss: 1.173, MDN: 1.173, Atom: 0.013, Bond: 0.043\\n\",\n \"Epoch: 081, Total Loss: 1.170, MDN: 1.170, Atom: 0.012, Bond: 0.043\\n\",\n \"Epoch: 082, Total Loss: 1.168, MDN: 1.168, Atom: 0.012, Bond: 0.043\\n\",\n \"Epoch: 083, Total Loss: 1.168, MDN: 1.168, Atom: 0.012, Bond: 0.043\\n\",\n \"Epoch: 084, Total Loss: 1.166, MDN: 1.166, Atom: 0.012, Bond: 0.042\\n\",\n \"Epoch: 085, Total Loss: 1.162, MDN: 1.162, Atom: 0.013, Bond: 0.044\\n\",\n \"Epoch: 086, Total Loss: 1.161, MDN: 1.160, Atom: 0.012, Bond: 0.044\\n\",\n \"Epoch: 087, Total Loss: 1.160, MDN: 1.159, Atom: 0.012, Bond: 0.044\\n\",\n \"Epoch: 088, Total Loss: 1.158, MDN: 1.157, Atom: 0.012, Bond: 0.044\\n\",\n \"Epoch: 089, Total Loss: 1.158, MDN: 1.158, Atom: 0.012, Bond: 0.045\\n\",\n \"Epoch: 090, Total Loss: 1.154, MDN: 1.154, Atom: 0.013, Bond: 0.045\\n\",\n \"Epoch: 091, Total Loss: 1.152, MDN: 1.152, Atom: 0.012, Bond: 0.045\\n\",\n \"Epoch: 092, Total Loss: 1.151, MDN: 1.151, Atom: 0.013, Bond: 0.045\\n\",\n \"Epoch: 093, Total Loss: 1.151, MDN: 1.151, Atom: 0.012, Bond: 0.047\\n\",\n \"Epoch: 094, Total Loss: 1.147, MDN: 1.147, Atom: 0.015, Bond: 0.046\\n\",\n \"Epoch: 095, Total Loss: 1.146, MDN: 1.146, Atom: 0.013, Bond: 0.047\\n\",\n \"Epoch: 096, Total Loss: 1.145, MDN: 1.145, Atom: 0.014, Bond: 0.049\\n\",\n \"Epoch: 097, Total Loss: 1.143, MDN: 1.143, Atom: 0.014, Bond: 0.047\\n\",\n \"Epoch: 098, Total Loss: 1.141, MDN: 1.141, Atom: 0.013, Bond: 0.047\\n\",\n \"Epoch: 099, Total Loss: 1.141, MDN: 1.141, Atom: 0.013, Bond: 0.047\\n\",\n \"Epoch: 100, Total Loss: 1.138, MDN: 1.138, Atom: 0.013, Bond: 0.046\\n\",\n \"Epoch: 101, Total Loss: 1.137, MDN: 1.137, Atom: 0.013, Bond: 0.047\\n\",\n \"Epoch: 102, Total Loss: 1.136, MDN: 1.136, Atom: 0.014, Bond: 0.049\\n\",\n \"Epoch: 103, Total Loss: 1.133, MDN: 1.133, Atom: 0.013, Bond: 0.047\\n\",\n \"Epoch: 104, Total Loss: 1.132, MDN: 1.132, Atom: 0.014, Bond: 0.048\\n\",\n \"Epoch: 105, Total Loss: 1.131, MDN: 1.131, Atom: 0.014, Bond: 0.049\\n\",\n \"Epoch: 106, Total Loss: 1.129, MDN: 1.129, Atom: 0.013, Bond: 0.049\\n\",\n \"Epoch: 107, Total Loss: 1.128, MDN: 1.128, Atom: 0.014, Bond: 0.049\\n\",\n \"Epoch: 108, Total Loss: 1.127, MDN: 1.127, Atom: 0.014, Bond: 0.051\\n\",\n \"Epoch: 109, Total Loss: 1.125, MDN: 1.125, Atom: 0.014, Bond: 0.050\\n\",\n \"Epoch: 110, Total Loss: 1.124, MDN: 1.124, Atom: 0.013, Bond: 0.050\\n\",\n \"Epoch: 111, Total Loss: 1.123, MDN: 1.123, Atom: 0.015, Bond: 0.051\\n\",\n \"Epoch: 112, Total Loss: 1.122, MDN: 1.122, Atom: 0.016, Bond: 0.052\\n\",\n \"Epoch: 113, Total Loss: 1.119, MDN: 1.119, Atom: 0.015, Bond: 0.051\\n\",\n \"Epoch: 114, Total Loss: 1.118, MDN: 1.118, Atom: 0.014, Bond: 0.050\\n\",\n \"Epoch: 115, Total Loss: 1.117, MDN: 1.117, Atom: 0.015, Bond: 0.050\\n\",\n \"Epoch: 116, Total Loss: 1.116, MDN: 1.115, Atom: 0.015, Bond: 0.051\\n\",\n \"Epoch: 117, Total Loss: 1.115, MDN: 1.114, Atom: 0.015, Bond: 0.051\\n\",\n \"Epoch: 118, Total Loss: 1.113, MDN: 1.113, Atom: 0.015, Bond: 0.052\\n\",\n \"Epoch: 119, Total Loss: 1.111, MDN: 1.111, Atom: 0.016, Bond: 0.052\\n\",\n \"Epoch: 120, Total Loss: 1.112, MDN: 1.112, Atom: 0.016, Bond: 0.053\\n\",\n \"Epoch: 121, Total Loss: 1.109, MDN: 1.109, Atom: 0.015, Bond: 0.054\\n\",\n \"Epoch: 122, Total Loss: 1.108, MDN: 1.108, Atom: 0.016, Bond: 0.052\\n\",\n \"Epoch: 123, Total Loss: 1.105, MDN: 1.105, Atom: 0.017, Bond: 0.053\\n\",\n \"Epoch: 124, Total Loss: 1.106, MDN: 1.106, Atom: 0.016, Bond: 0.055\\n\",\n \"Epoch: 125, Total Loss: 1.103, MDN: 1.103, Atom: 0.015, Bond: 0.054\\n\",\n \"Epoch: 126, Total Loss: 1.102, MDN: 1.102, Atom: 0.016, Bond: 0.054\\n\",\n \"Epoch: 127, Total Loss: 1.102, MDN: 1.102, Atom: 0.014, Bond: 0.055\\n\",\n \"Epoch: 128, Total Loss: 1.099, MDN: 1.099, Atom: 0.014, Bond: 0.053\\n\",\n \"Epoch: 129, Total Loss: 1.099, MDN: 1.099, Atom: 0.015, Bond: 0.054\\n\",\n \"Epoch: 130, Total Loss: 1.098, MDN: 1.098, Atom: 0.016, Bond: 0.055\\n\",\n \"Epoch: 131, Total Loss: 1.096, MDN: 1.096, Atom: 0.017, Bond: 0.054\\n\",\n \"Epoch: 132, Total Loss: 1.095, MDN: 1.095, Atom: 0.017, Bond: 0.054\\n\",\n \"Epoch: 133, Total Loss: 1.095, MDN: 1.095, Atom: 0.016, Bond: 0.055\\n\",\n \"Epoch: 134, Total Loss: 1.093, MDN: 1.093, Atom: 0.016, Bond: 0.055\\n\",\n \"Epoch: 135, Total Loss: 1.091, MDN: 1.091, Atom: 0.016, Bond: 0.056\\n\",\n \"Epoch: 136, Total Loss: 1.090, MDN: 1.090, Atom: 0.017, Bond: 0.055\\n\",\n \"Epoch: 137, Total Loss: 1.089, MDN: 1.089, Atom: 0.016, Bond: 0.056\\n\",\n \"Epoch: 138, Total Loss: 1.088, MDN: 1.088, Atom: 0.018, Bond: 0.058\\n\",\n \"Epoch: 139, Total Loss: 1.087, MDN: 1.087, Atom: 0.016, Bond: 0.056\\n\",\n \"Epoch: 140, Total Loss: 1.086, MDN: 1.086, Atom: 0.018, Bond: 0.055\\n\",\n \"Epoch: 141, Total Loss: 1.085, MDN: 1.085, Atom: 0.017, Bond: 0.056\\n\",\n \"Epoch: 142, Total Loss: 1.084, MDN: 1.084, Atom: 0.018, Bond: 0.056\\n\",\n \"Epoch: 143, Total Loss: 1.082, MDN: 1.082, Atom: 0.018, Bond: 0.056\\n\",\n \"Epoch: 144, Total Loss: 1.082, MDN: 1.082, Atom: 0.018, Bond: 0.056\\n\",\n \"Epoch: 145, Total Loss: 1.081, MDN: 1.081, Atom: 0.017, Bond: 0.058\\n\",\n \"Epoch: 146, Total Loss: 1.080, MDN: 1.080, Atom: 0.017, Bond: 0.057\\n\",\n \"Epoch: 147, Total Loss: 1.079, MDN: 1.078, Atom: 0.017, Bond: 0.058\\n\",\n \"Epoch: 148, Total Loss: 1.078, MDN: 1.078, Atom: 0.016, Bond: 0.057\\n\",\n \"Epoch: 149, Total Loss: 1.078, MDN: 1.078, Atom: 0.017, Bond: 0.056\\n\",\n \"Epoch: 150, Total Loss: 1.075, MDN: 1.075, Atom: 0.016, Bond: 0.057\\n\",\n \"CPU times: user 3d 4h 48min 45s, sys: 14h 48min 45s, total: 3d 19h 37min 30s\\n\",\n \"Wall time: 3d 3h 44min 26s\\n\"\n ]\n }\n ],\n \"source\": [\n \"%%time\\n\",\n \"now = datetime.now()\\n\",\n \"print(now.strftime(\\\"Start date: %d/%m/%Y at %H:%M:%S\\\"))\\n\",\n \"\\n\",\n \"def train():\\n\",\n \" model.train()\\n\",\n \"\\n\",\n \" total_loss = 0\\n\",\n \" mdn_loss = 0\\n\",\n \" atom_loss = 0\\n\",\n \" bond_loss = 0\\n\",\n \" for data in loader_train:\\n\",\n \" optimizer.zero_grad()\\n\",\n \" ligand, target, activity, pdbid = data\\n\",\n \" ligand, target, activity = ligand.to(device), target.to(device), activity[0].unsqueeze(1).to(device)\\n\",\n \" atom_labels = torch.argmax(ligand.x, dim=1, keepdim=False)\\n\",\n \" bond_labels = torch.argmax(ligand.edge_attr, dim=1, keepdim=False)\\n\",\n \" \\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\\n\",\n \" \\n\",\n \" mdn = mdn_loss_fn(pi, sigma, mu, dist)\\n\",\n \" mdn = mdn[torch.where(dist <= model.dist_threhold)[0]]\\n\",\n \" mdn = mdn.mean()\\n\",\n \" atom = F.cross_entropy(atom_types, atom_labels)\\n\",\n \" bond = F.cross_entropy(bond_types, bond_labels)\\n\",\n \" loss = mdn + (atom * aux_weight) + (bond * aux_weight)\\n\",\n \" \\n\",\n \" loss.backward()\\n\",\n \" optimizer.step()\\n\",\n \" \\n\",\n \" total_loss += loss.item() * (ligand.batch.max().item() + 1)\\n\",\n \" mdn_loss += mdn.item() * (ligand.batch.max().item() + 1)\\n\",\n \" atom_loss += atom.item() * (ligand.batch.max().item() + 1)\\n\",\n \" bond_loss += bond.item() * (ligand.batch.max().item() + 1)\\n\",\n \" \\n\",\n \" #print('Step, Total Loss: {:.3f}, MDN: {:.3f}'.format(total_loss, mdn_loss))\\n\",\n \" if np.isinf(mdn_loss) or np.isnan(mdn_loss): break\\n\",\n \" \\n\",\n \" return total_loss / len(loader_train.dataset), mdn_loss / len(loader_train.dataset), atom_loss / len(loader_train.dataset), bond_loss / len(loader_train.dataset)\\n\",\n \"\\n\",\n \"\\n\",\n \"@torch.no_grad()\\n\",\n \"def test(dataset):\\n\",\n \" model.eval()\\n\",\n \"\\n\",\n \" loader = DataLoader(dataset, batch_size=batch_size, shuffle=False)\\n\",\n \" \\n\",\n \" total_loss = 0\\n\",\n \" mdn_loss = 0\\n\",\n \" atom_loss = 0\\n\",\n \" bond_loss = 0\\n\",\n \" for data in loader:\\n\",\n \" ligand, target, activity, pdbid = data\\n\",\n \" ligand, target, activity = ligand.to(device), target.to(device), activity[0].unsqueeze(1).to(device)\\n\",\n \" atom_labels = torch.argmax(ligand.x, dim=1, keepdim=False)\\n\",\n \" bond_labels = torch.argmax(ligand.edge_attr, dim=1, keepdim=False)\\n\",\n \" \\n\",\n \" pi, sigma, mu, dist, atom_types, bond_types, batch = model(ligand, target)\\n\",\n \" \\n\",\n \" mdn = mdn_loss_fn(pi, sigma, mu, dist)\\n\",\n \" mdn = mdn[torch.where(dist <= model.dist_threhold)[0]]\\n\",\n \" mdn = mdn.mean()\\n\",\n \" atom = F.cross_entropy(atom_types, atom_labels)\\n\",\n \" bond = F.cross_entropy(bond_types, bond_labels)\\n\",\n \" loss = mdn + (atom * aux_weight) + (bond * aux_weight)\\n\",\n \" \\n\",\n \" total_loss += loss.item() * (ligand.batch.max().item() + 1)\\n\",\n \" mdn_loss += mdn.item() * (ligand.batch.max().item() + 1)\\n\",\n \" atom_loss += atom.item() * (ligand.batch.max().item() + 1)\\n\",\n \" bond_loss += bond.item() * (ligand.batch.max().item() + 1)\\n\",\n \"\\n\",\n \" return total_loss / len(loader.dataset), mdn_loss / len(loader.dataset), atom_loss / len(loader.dataset), bond_loss / len(loader.dataset)\\n\",\n \"\\n\",\n \"prev_test_total_loss = 1000\\n\",\n \"for epoch in range(1, epochs + 1):\\n\",\n \" total_loss, mdn_loss, atom_loss, bond_loss = train()\\n\",\n \" if np.isinf(mdn_loss) or np.isnan(mdn_loss): \\n\",\n \" print('Inf ERROR')\\n\",\n \" break\\n\",\n \" test_total_loss, test_mdn_loss, test_atom_loss, test_bond_loss = test(db_complex_test)\\n\",\n \" losses.append([total_loss, mdn_loss, atom_loss, bond_loss, test_total_loss, test_mdn_loss, test_atom_loss, test_bond_loss])\\n\",\n \" \\n\",\n \" if test_mdn_loss <= prev_test_total_loss:\\n\",\n \" prev_test_total_loss = test_total_loss\\n\",\n \" torch.save({'epoch': epoch, 'model_state_dict': model.state_dict(), 'optimizer_state_dict': optimizer.state_dict(), 'rng_state': torch.get_rng_state(), 'total_loss': total_loss, \\n\",\n \" 'mdn_loss': mdn_loss, 'atom_loss': atom_loss, 'bond_loss': bond_loss, 'pdbIDs_train':pdbIDs_train, 'pdbIDs_test':pdbIDs_test}, 'DeepDock_pdbbindv2019_13K_minTestLoss.chk')\\n\",\n \" l = pd.DataFrame(losses, columns= ['total_loss', 'mdn_loss', 'atom_loss', 'bond_loss', 'test_total_loss', 'test_mdn_loss', 'test_atom_loss', 'test_bond_loss'])\\n\",\n \" l.to_csv('DeepDock_pdbbindv2019_13K_loss.csv')\\n\",\n \" \\n\",\n \" print('Epoch: {:03d}, Total Loss: {:.3f}, MDN: {:.3f}, Atom: {:.3f}, Bond: {:.3f}'.format(epoch, total_loss, mdn_loss, atom_loss, bond_loss))\\n\",\n \" \\n\",\n \" if epoch % save_each == 0:\\n\",\n \" torch.save({'epoch': epoch, 'model_state_dict': model.state_dict(), 'optimizer_state_dict': optimizer.state_dict(), 'rng_state': torch.get_rng_state(), 'total_loss': total_loss, \\n\",\n \" 'mdn_loss': mdn_loss, 'atom_loss': atom_loss, 'bond_loss': bond_loss, 'pdbIDs_train':pdbIDs_train, 'pdbIDs_test':pdbIDs_test}, 'DeepDock_pdbbindv2019_13K_epoch_%.3i.chk'%(epoch))\\n\",\n \" l = pd.DataFrame(losses, columns= ['total_loss', 'mdn_loss', 'atom_loss', 'bond_loss', 'test_total_loss', 'test_mdn_loss', 'test_atom_loss', 'test_bond_loss'])\\n\",\n \" l.to_csv('DeepDock_pdbbindv2019_13K_loss.csv')\\n\",\n \" \\n\",\n \"torch.save({'epoch': epoch, 'model_state_dict': model.state_dict(), 'optimizer_state_dict': optimizer.state_dict(), 'rng_state': torch.get_rng_state(), 'total_loss': total_loss, \\n\",\n \" 'mdn_loss': mdn_loss, 'atom_loss': atom_loss, 'bond_loss': bond_loss, 'pdbIDs_train':pdbIDs_train, 'pdbIDs_test':pdbIDs_test}, 'DeepDock_pdbbindv2019_13K_epoch_%.3i.chk'%(epoch))\\n\",\n \"l = pd.DataFrame(losses, columns= ['total_loss', 'mdn_loss', 'atom_loss', 'bond_loss', 'test_total_loss', 'test_mdn_loss', 'test_atom_loss', 'test_bond_loss'])\\n\",\n \"l.to_csv('DeepDock_pdbbindv2019_13K_loss.csv')\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 5,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"#l = pd.read_csv('AE_ResMeta_Dropout10_DeepDock_pdbbindv2019_14K_loss.csv')\\n\",\n \"l[['total_loss', 'test_total_loss']].plot()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"kernelspec\": {\n \"display_name\": \"Python 3\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.6.9\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "requirements.txt", "content": "torch==1.4.0\n-f https://pytorch-geometric.com/whl/torch-1.4.0.html\ntorch-scatter==2.0.4+cu101\n-f https://pytorch-geometric.com/whl/torch-1.4.0.html\ntorch-sparse==0.6.1+cu101\n-f https://pytorch-geometric.com/whl/torch-1.4.0.html\ntorch-cluster==1.5.3+cu101\n-f https://pytorch-geometric.com/whl/torch-1.4.0.html\ntorch-spline-conv==1.2.0+cu101\ntorch_geometric==1.4.3\n\nnumpy==1.16.1\nplyfile==0.7.2\npandas==0.25.1\nnetworkx==2.5\nrdkit==2019.09.1\nscikit_learn==0.21.3\nmatplotlib==3.0.2\n\n" }, { "path": "setup.py", "content": "from setuptools import setup, find_packages\n\nsetup(\n name='deepdock',\n version='1.0',\n author='Oscar Mendez-Lucio, Mazen Ahmad, Antonio del Rio-Chanona, Jorg Kurt Wgner',\n packages=find_packages(),\n url='https://github.com/OptiMaL-PSE-Lab/DeepDock',\n license='LICENSE',\n description='DeepDock',\n #long_description=open('README.md').read(),\n)\n" } ]