RoseTTAFold_All_Atom.ipynb

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      "source": [
        "<a target=\"_blank\" href=\"https://colab.research.google.com/github/AndreiSokolovskii/google_colab_for_rf2aa/blob/main/RoseTTAFold_All_Atom.ipynb\">\n",
        "  <img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/>\n",
        "</a>"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "QlD9If5tG1g3"
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      "source": [
        "# **RoseTTAFold-All-Atom**\n",
        "\n",
        "**Introduction.**\n",
        "*   The notebook is still in development.\n",
        "*   At this moment, the following  prediction regimes are available:\n",
        "\n",
        "\n",
        "1.   Sequence ⇒ 3D Protein structure:  **with**/**without** templates, and **with**/**without** MSA.\n",
        "2.   Sequence + small molecule ⇒ 3D complex structure: **with**/**without** templates, and **with**/**without** MSA.\n",
        "\n",
        "\n",
        "**Important notice**\n",
        "* Do not use dot symbols in the name of **jobname**\n",
        "* ***Run all*** from the first attempt is not supported yet.\n",
        "* The installation process causes a message saying *Your session crashed for an unknown reason.*\n",
        "* Do not worry. Just tap **Run all** again after this message.\n",
        "\n",
        "\n",
        "\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 2,
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      "source": [
        "#@title ##Installation required libraries, downloading RFaa2 weights, and applying some patches\n",
        "#@markdown This step can take up to ~8 mins (with AMBER ~ 10 mins)\n",
        "# @markdown ---\n",
        "#@markdown ##Regime choice.\n",
        "%%capture\n",
        "import os\n",
        "from google.colab import files\n",
        "import re\n",
        "import hashlib\n",
        "import random\n",
        "\n",
        "if not os.path.isfile(\"CONDACOLAB_READY\"):\n",
        "  !pip install -q condacolab\n",
        "  import condacolab\n",
        "  condacolab.install()\n",
        "  os.system(\"touch CONDACOLAB_READY\")\n",
        "\n",
        "if not os.path.isfile(\"ADDITIONAL_SOFT\"):\n",
        "  !mamba install -y -c conda-forge -c bioconda -c predector -c pyg -c pytorch -c nvidia -c biocore kalign2=2.04 hhsuite=3.3.0 openmm=7.7.0 openbabel=3.1.1  deepdiff=6.7.1 icecream=2.1.3 assertpy=1.1  dgl=1.1.2 pdbfixer\n",
        "  !mamba install -y openbabel -c conda-forge\n",
        "  !pip install hydra-core\n",
        "  !pip install assertpy==1.1\n",
        "  !pip install icecream\n",
        "  !pip install biopython==1.79\n",
        "  import locale\n",
        "  locale.getpreferredencoding = lambda: \"UTF-8\"\n",
        "  %shell pip install -q py3Dmol\n",
        "  os.system(\"pip install --no-dependencies e3nn==0.3.3 opt_einsum_fx\")\n",
        "  if not os.path.exists('lib'):\n",
        "    os.mkdir('lib')\n",
        "  os.system('cd lib; wget https://github.com/AndreiSokolovskii/google_colab_for_rf2aa/raw/main/lib.tar; tar -xf lib.tar; rm lib.tar')\n",
        "  os.system('touch ADDITIONAL_SOFT')\n",
        "\n",
        "# USE_AMBER = True\n",
        "\n",
        "\n",
        "if not os.path.isfile('RF2AA_READY'):\n",
        "  os.system(\"git clone https://github.com/baker-laboratory/RoseTTAFold-All-Atom.git\")\n",
        "  os.system(\"cd RoseTTAFold-All-Atom/rf2aa/SE3Transformer; pip install .\")\n",
        "  os.system(\"wget https://raw.githubusercontent.com/sokrypton/ColabFold/main/colabfold/colabfold.py -O colabfold_utils.py\")\n",
        "  os.system(\"wget http://files.ipd.uw.edu/pub/RF-All-Atom/weights/RFAA_paper_weights.pt\")\n",
        "  os.system('touch RF2AA_READY')\n",
        "\n",
        "\n",
        "if not os.path.isfile('PATCH_READY'):\n",
        "  os.system('wget https://raw.githubusercontent.com/AndreiSokolovskii/google_colab_for_rf2aa/main/rf2aa_patch.patch -O RoseTTAFold-All-Atom/rf2aa_patch.patch')\n",
        "  os.system('cd RoseTTAFold-All-Atom; git apply rf2aa_patch.patch')\n",
        "  os.system('rm RoseTTAFold-All-Atom/rf2aa_patch.patch')\n",
        "  os.system('touch PATCH_READY')\n",
        "if not os.path.isfile('NUM_RUNS'):\n",
        "  os.system('echo 0 > NUM_RUNS')\n",
        "import colabfold_utils as cf\n",
        "import os\n",
        "import yaml\n",
        "num_run = int(os.popen('tail -1 NUM_RUNS').read().strip())\n",
        "regime = \"Protein Monomers\" #@param [\"Protein Monomers\", \"Protein Small Molecule Complexes\"]\n",
        "msa_method = \"mmseqs2\" #@param [\"mmseqs2\",\"single_sequence\"]\n",
        "USE_TEMPLATES = True #@param {type:\"boolean\"}\n",
        "USE_AMBER = True #@param {type:\"boolean\"}\n",
        "sequence = \"PIAQIHILEGRSDEQKETLIREVSEAISRSLDAPLTSVRVIITEMAKGHFGIGGELASK\" #@param {type:\"string\"}\n",
        "sequence = sequence.translate(str.maketrans('', '', ' \\n\\t')).upper()\n",
        "if USE_AMBER and not os.path.isfile(\"AMBER_READY\"):\n",
        "    print(\"installing amber...\")\n",
        "    os.system(f\"mamba install -y -c conda-forge openmm=7.7.0  pdbfixer\")\n",
        "    os.system('os.system(\"pip install --no-warn-conflicts --upgrade dm-haiku==0.0.10')\n",
        "    !pip install ml-collections==0.1.0\n",
        "    !pip install dm-haiku==0.0.12\n",
        "    !pip install --upgrade \"jax\"\n",
        "    !git clone https://github.com/google-deepmind/alphafold.git\n",
        "    !cp -r alphafold/* .\n",
        "    !cd alphafold/common/; wget https://raw.githubusercontent.com/sokrypton/ColabFold/c21e1768d18e3608e6e6d99c97134317e7e41c75/colabfold/openstructure/stereo_chemical_props.txt\n",
        "    os.system(\"touch AMBER_READY\")\n",
        "def relax_me(pdb_filename, use_gpu=False, max_iterations=0, tolerance=2.39, stiffness=10.0, max_outer_iterations=3):\n",
        "  from alphafold.relax import relax\n",
        "  from alphafold.common import protein\n",
        "  from pathlib import Path\n",
        "  # pdb_filename = 'ESMFold_result.pdb'\n",
        "  pdb_lines = Path(pdb_filename).read_text()\n",
        "  pdb_obj = protein.from_pdb_string(pdb_lines)\n",
        "\n",
        "  amber_relaxer = relax.AmberRelaxation(\n",
        "          max_iterations=200,\n",
        "          tolerance=2.39,\n",
        "          stiffness=10,\n",
        "          exclude_residues=[],\n",
        "          max_outer_iterations=3,\n",
        "          use_gpu=True\n",
        "      )\n",
        "  relaxed_pdb_lines, _, _ = amber_relaxer.process(prot=pdb_obj)\n",
        "  return relaxed_pdb_lines\n",
        "\n",
        "if not os.path.isfile('NUM_RUNS'):\n",
        "  os.system('echo 0 > NUM_RUNS')\n",
        "\n",
        "# @markdown ---\n",
        "# @markdown ###  In case of \"Protein Small Molecule Complexes\" enter a SMILES string:\n",
        "smiles = \"\"#@param {type:\"string\"}\n",
        "# @markdown ###  or just leave the field above empty and upload an SDF file.\n",
        "\n",
        "# @markdown ---\n",
        "prefix = cf.get_hash(sequence)\n",
        "jobname = \"test\" #@param {type:\"string\"}\n",
        "to_get_msa = jobname\n",
        "jobname += \"_\"+cf.get_hash(sequence)[:5]\n",
        "# jobname += \"_\" + str(num_run)\n",
        "config_name = jobname +\"_\" + str(num_run)\n",
        "if not os.path.exists(jobname):\n",
        "    os.mkdir(jobname)\n",
        "\n",
        "if not os.path.exists('output'):\n",
        "  os.mkdir('output')\n",
        "if not os.path.exists(f'output/{str(num_run)}'):\n",
        "  os.mkdir(f'output/{str(num_run)}')\n",
        "\n",
        "\n",
        "path_to_conf = \"RoseTTAFold-All-Atom/rf2aa/config/inference\"\n",
        "if regime == \"Protein Monomers\":\n",
        "  if not os.path.exists(f\"{path_to_conf}/{jobname}.yaml\"):\n",
        "    with open(f'{path_to_conf}/protein.yaml') as f:\n",
        "        doc = yaml.safe_load(f)\n",
        "        doc['defaults'] += ['_self_']\n",
        "        doc['job_name'] = jobname\n",
        "        doc['protein_inputs']['A']['fasta_file'] = jobname + \"/\" + config_name + '.fasta'\n",
        "    with open(f\"{path_to_conf}/{config_name}.yaml\", \"w\") as new_file:\n",
        "        yaml.dump(doc, new_file)\n",
        "elif regime == \"Protein Small Molecule Complexes\":\n",
        "\n",
        "  if len(smiles) < 1 and not os.path.exists(f'{jobname}/{config_name}.sdf'):\n",
        "    from google.colab import files\n",
        "    uploaded = files.upload()\n",
        "    for fn in uploaded.keys():\n",
        "      os.rename(fn,f'{jobname}/{config_name}.sdf')\n",
        "      os.system(f'cp {jobname}/{config_name}.sdf output/{str(num_run)}/{fn}')\n",
        "  # elif len(smiles) > 0:\n",
        "  #   with open(f'{jobname}/{jobname}.smiles','w') as f:\n",
        "  #     f.write(smiles)\n",
        "\n",
        "  # if not os.path.exists(f\"{path_to_conf}/{jobname}.yaml\"):\n",
        "  with open(f'{path_to_conf}/protein_sm.yaml') as f:\n",
        "        doc = yaml.safe_load(f)\n",
        "        doc['defaults'] += ['_self_']\n",
        "        doc['job_name'] = jobname\n",
        "        doc['protein_inputs']['A']['fasta_file'] = jobname + \"/\" + config_name + '.fasta'\n",
        "        if len(str(smiles)) < 1:\n",
        "          doc['sm_inputs']['B']['input'] = jobname + \"/\" + config_name + '.sdf'\n",
        "          doc['sm_inputs']['B']['input_type'] = \"sdf\"\n",
        "        else:\n",
        "          doc['sm_inputs']['B']['input'] = smiles\n",
        "          doc['sm_inputs']['B']['input_type'] = \"smiles\"\n",
        "          if not os.path.isfile(f'output/{str(num_run)}/input.smiles'):\n",
        "            with open(f'output/{str(num_run)}/input.smiles','w') as f:\n",
        "              f.write(f\"{smiles}\\n\")\n",
        "  with open(f\"{path_to_conf}/{config_name}.yaml\", \"w\") as new_file:\n",
        "        yaml.dump(doc, new_file)\n",
        "  if not USE_TEMPLATES:\n",
        "    if not os.path.exists(f\"{path_to_conf}/base_defaults.yaml\"):\n",
        "      os.system(f'cp {path_to_conf}/base.yaml {path_to_conf}/base_defaults.yaml')\n",
        "\n",
        "\n",
        "    with open(f\"{path_to_conf}/base.yaml\") as f:\n",
        "        doc = yaml.safe_load(f)\n",
        "        doc['loader_params']['n_templ'] = 1\n",
        "    with open(f\"{path_to_conf}/tmp.yaml\", \"w\") as new_file:\n",
        "        yaml.dump(doc, new_file)\n",
        "    os.rename(f\"{path_to_conf}/tmp.yaml\", f\"{path_to_conf}/base.yaml\")\n",
        "  else:\n",
        "    if os.path.exists(f\"{path_to_conf}/base_defaults.yaml\"):\n",
        "      os.system(f'cp {path_to_conf}/base_defaults.yaml {path_to_conf}/base.yaml')\n",
        "\n",
        "\n",
        "with open(f\"{jobname}/{config_name}.fasta\",\"w\") as fasta:\n",
        "    fasta.write(f\">{jobname}\\n{sequence}\\n\")\n",
        "\n",
        "if not os.path.isfile(f'output/{str(num_run)}/input.fasta'):\n",
        "  with open(f'output/{str(num_run)}/input.fasta','w') as f:\n",
        "    f.write(f\">{jobname}\\n{sequence}\\n\")\n",
        "\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "cellView": "form",
        "collapsed": true,
        "id": "ZxWWRNk5OImb"
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      "source": [
        "#@title ## Run search against genetic databases and RoseTTAFold-All-Atom Prediction\n",
        "if USE_TEMPLATES and not os.path.exists(f'{jobname}/A/t000_.hhr') and not os.path.exists(f'{jobname}/A/t000_.atab'):\n",
        "    import sys\n",
        "    sys.path.append('lib')\n",
        "    from get_msa_and_templates import main as gms\n",
        "    jobname_templ = gms(sequence, to_get_msa, USE_TEMPLATES, msa_method)\n",
        "    if os.path.exists('inputForFFINDEX'):\n",
        "        os.system('rm -r inputForFFINDEX')\n",
        "    os.system('mkdir inputForFFINDEX')\n",
        "    os.system('mkdir inputForFFINDEX/splitCh')\n",
        "    os.system('mkdir inputForFFINDEX/final')\n",
        "    os.system(f'tail -n +2 {jobname}/{jobname}.a3m > tmp && mv tmp {jobname}/A/t000_.msa0.a3m')\n",
        "    from cif2pdb import main as cif2pdb\n",
        "    import glob\n",
        "    from Bio.PDB import PDBParser\n",
        "    from Bio.PDB.PDBIO import PDBIO\n",
        "\n",
        "    parser = PDBParser(QUIET=True)\n",
        "    io = PDBIO()\n",
        "\n",
        "    for item in glob.glob(f'{jobname}/{jobname}*/templates_101/*.cif'):\n",
        "        pdbname = item.split('/')[-1].split('.')[0]\n",
        "    # print((item, pdbname))\n",
        "        cif2pdb(item, f'inputForFFINDEX/{pdbname}.pdb')\n",
        "\n",
        "    def split_chains(filename, id):\n",
        "        structure = parser.get_structure(id, filename)\n",
        "        pdb_chains = structure.get_chains()\n",
        "        for chain in pdb_chains:\n",
        "            io.set_structure(chain)\n",
        "            name = structure.get_id() + \"_\" + chain.get_id() + \".pdb\"\n",
        "            io.save('inputForFFINDEX/splitCh/' + name)\n",
        "    for item in glob.glob('inputForFFINDEX/*.pdb'):\n",
        "        id = item.split('/')[-1].split('.')[0]\n",
        "        split_chains(item, id)\n",
        "    os.system('''cd /content/inputForFFINDEX/splitCh/; for file in *.pdb; do grep \"^ATOM\" $file > /content/inputForFFINDEX/final/$file; echo \"TER\" >>  /content/inputForFFINDEX/final/$file; done''')\n",
        "    for item in glob.glob('/content/inputForFFINDEX/final/*.pdb'):\n",
        "      new_name = item.split('.')[0]\n",
        "      os.rename(item, new_name)\n",
        "    os.system(f'ffindex_build -s  {jobname}/A/t000_pdb.ffdata  {jobname}/A/t000_pdb.ffindex inputForFFINDEX/final/')\n",
        "\n",
        "if not USE_TEMPLATES:\n",
        "  import sys\n",
        "  sys.path.append('lib')\n",
        "  from get_msa_and_templates import main as gms\n",
        "  jobname_templ = gms(sequence, to_get_msa, USE_TEMPLATES, msa_method)\n",
        "  if not os.path.exists(f'{jobname}/A'):\n",
        "    os.system(f'mkdir {jobname}/A')\n",
        "  os.system(f'tail -n +2 {jobname}/{jobname}.a3m > tmp && mv tmp {jobname}/A/t000_.msa0.a3m')\n",
        "\n",
        "import time, sys\n",
        "if not \"IMPORTED\" in dir():\n",
        "  if 'RoseTTAFold-All-Atom/rf2aa' not in sys.path:\n",
        "    os.environ[\"DGLBACKEND\"] = \"pytorch\"\n",
        "    sys.path.append('RoseTTAFold-All-Atom/rf2aa')\n",
        "    sys.path.append('RoseTTAFold-All-Atom')\n",
        "from run_inference import ModelRunner\n",
        "from hydra import compose, initialize\n",
        "from omegaconf import OmegaConf\n",
        "try:\n",
        "  initialize(version_base=None, config_path=\"RoseTTAFold-All-Atom/rf2aa/config/inference/\", job_name=config_name)\n",
        "except:\n",
        "  pass\n",
        "num_runs = int(os.popen('tail -1 NUM_RUNS').read().strip())\n",
        "cfg = compose(config_name=config_name)\n",
        "cfg.database_params.hhdb = jobname + \"/A/t000\"\n",
        "runner = ModelRunner(cfg)\n",
        "runner.infer()\n",
        "if USE_AMBER:\n",
        "  open(f'{jobname}_relax.pdb', 'w').write(relax_me(f'{jobname}.pdb'))\n",
        "  os.system(f'mv {jobname}_relax.pdb output/{str(num_run)}/{jobname}_relax.pdb')\n",
        "os.system(f'mv {jobname}.pdb output/{str(num_run)}/{jobname}.pdb')\n",
        "os.system(f'mv {jobname}_aux.pt output/{str(num_run)}/{jobname}_aux.pt')\n",
        "\n",
        "os.system(f'echo {num_runs+1} >> NUM_RUNS')"
      ]
    },
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        "outputId": "8e0fc264-2799-4a15-e01a-41f6259d7e5e"
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1.00  0.94           H  \\nATOM      9  HB3 PRO A   1       3.496   6.219   6.951  1.00  0.94           H  \\nATOM     10  O   PRO A   1       1.434   7.876   5.464  1.00  0.94           O  \\nATOM     11  CG  PRO A   1       4.453   7.432   8.452  1.00  0.94           C  \\nATOM     12  HG2 PRO A   1       5.361   8.029   8.541  1.00  0.94           H  \\nATOM     13  HG3 PRO A   1       4.516   6.559   9.101  1.00  0.94           H  \\nATOM     14  CD  PRO A   1       3.225   8.285   8.771  1.00  0.94           C  \\nATOM     15  HD2 PRO A   1       3.431   8.984   9.581  1.00  0.94           H  \\nATOM     16  HD3 PRO A   1       2.414   7.630   9.089  1.00  0.94           H  \\nATOM     17  N   ILE A   2       3.149   7.900   4.022  1.00  0.96           N  \\nATOM     18  H   ILE A   2       4.147   7.964   3.876  1.00  0.96           H  \\nATOM     19  CA  ILE A   2       2.350   7.495   2.856  1.00  0.96           C  \\nATOM     20  HA  ILE A   2       1.355   7.194   3.185  1.00  0.96           H  \\nATOM     21  C   ILE A   2       3.019   6.281   2.224  1.00  0.96           C  \\nATOM     22  CB  ILE A   2       2.159   8.646   1.841  1.00  0.96           C  \\nATOM     23  HB  ILE A   2       3.136   8.930   1.450  1.00  0.96           H  \\nATOM     24  O   ILE A   2       4.207   6.330   1.921  1.00  0.96           O  \\nATOM     25  CG1 ILE A   2       1.539   9.884   2.536  1.00  0.96           C  \\nATOM     26 HG12 ILE A   2       0.600   9.608   3.017  1.00  0.96           H  \\nATOM     27 HG13 ILE A   2       2.220  10.230   3.314  1.00  0.96           H  \\nATOM     28  CG2 ILE A   2       1.290   8.165   0.660  1.00  0.96           C  \\nATOM     29 HG21 ILE A   2       1.189   8.952  -0.087  1.00  0.96           H  \\nATOM     30 HG22 ILE A   2       0.301   7.868   1.010  1.00  0.96           H  \\nATOM     31 HG23 ILE A   2       1.756   7.317   0.159  1.00  0.96           H  \\nATOM     32  CD1 ILE A   2       1.284  11.081   1.613  1.00  0.96           C  \\nATOM     33 HD11 ILE A   2       0.993  11.942   2.214  1.00  0.96           H  \\nATOM     34 HD12 ILE A   2       0.477  10.860   0.915  1.00  0.96           H  \\nATOM     35 HD13 ILE A   2       2.192  11.324   1.060  1.00  0.96           H  \\nATOM     36  N   ALA A   3       2.261   5.209   2.033  1.00  0.97           N  \\nATOM     37  H   ALA A   3       1.291   5.248   2.315  1.00  0.97           H  \\nATOM     38  CA  ALA A   3       2.683   4.037   1.287  1.00  0.97           C  \\nATOM     39  HA  ALA A   3       3.742   4.116   1.044  1.00  0.97           H  \\nATOM     40  C   ALA A   3       1.900   3.964  -0.022  1.00  0.97           C  \\nATOM     41  CB  ALA A   3       2.497   2.789   2.150  1.00  0.97           C  \\nATOM     42  HB1 ALA A   3       3.099   2.879   3.054  1.00  0.97           H  \\nATOM     43  HB2 ALA A   3       1.447   2.674   2.420  1.00  0.97           H  \\nATOM     44  HB3 ALA A   3       2.819   1.906   1.597  1.00  0.97           H  \\nATOM     45  O   ALA A   3       0.686   4.159  -0.050  1.00  0.97           O  \\nATOM     46  N   GLN A   4       2.601   3.669  -1.105  1.00  0.92           N  \\nATOM     47  H   GLN A   4       3.591   3.491  -1.018  1.00  0.92           H  \\nATOM     48  CA  GLN A   4       2.003   3.406  -2.404  1.00  0.92           C  \\nATOM     49  HA  GLN A   4       0.922   3.546  -2.366  1.00  0.92           H  \\nATOM     50  C   GLN A   4       2.298   1.956  -2.734  1.00  0.92           C  \\nATOM     51  CB  GLN A   4       2.569   4.358  -3.458  1.00  0.92           C  \\nATOM     52  HB2 GLN A   4       3.649   4.224  -3.520  1.00  0.92           H  \\nATOM     53  HB3 GLN A   4       2.135   4.116  -4.428  1.00  0.92           H  \\nATOM     54  O   GLN A   4       3.455   1.540  -2.722  1.00  0.92           O  \\nATOM     55  CG  GLN A   4       2.263   5.823  -3.122  1.00  0.92           C  \\nATOM     56  HG2 GLN A   4       2.645   6.077  -2.133  1.00  0.92           H  \\nATOM     57  HG3 GLN A   4       1.185   5.983  -3.130  1.00  0.92           H  \\nATOM     58  CD  GLN A   4       2.926   6.754  -4.120  1.00  0.92           C  \\nATOM     59  NE2 GLN A   4       2.185   7.346  -5.030  1.00  0.92           N  \\nATOM     60 HE21 GLN A   4       1.199   7.142  -5.114  1.00  0.92           H  \\nATOM     61 HE22 GLN A   4       2.690   7.911  -5.698  1.00  0.92           H  \\nATOM     62  OE1 GLN A   4       4.123   6.964  -4.102  1.00  0.92           O  \\nATOM     63  N   ILE A   5       1.253   1.181  -2.978  1.00  0.94           N  \\nATOM     64  H   ILE A   5       0.329   1.588  -2.976  1.00  0.94           H  \\nATOM     65  CA  ILE A   5       1.378  -0.238  -3.272  1.00  0.94           C  \\nATOM     66  HA  ILE A   5       2.426  -0.529  -3.202  1.00  0.94           H  \\nATOM     67  C   ILE A   5       0.928  -0.448  -4.699  1.00  0.94           C  \\nATOM     68  CB  ILE A   5       0.600  -1.120  -2.282  1.00  0.94           C  \\nATOM     69  HB  ILE A   5      -0.467  -1.006  -2.474  1.00  0.94           H  \\nATOM     70  O   ILE A   5      -0.125   0.027  -5.118  1.00  0.94           O  \\nATOM     71  CG1 ILE A   5       0.888  -0.715  -0.819  1.00  0.94           C  \\nATOM     72 HG12 ILE A   5       0.608   0.327  -0.669  1.00  0.94           H  \\nATOM     73 HG13 ILE A   5       1.952  -0.818  -0.606  1.00  0.94           H  \\nATOM     74  CG2 ILE A   5       1.001  -2.589  -2.514  1.00  0.94           C  \\nATOM     75 HG21 ILE A   5       0.932  -2.861  -3.567  1.00  0.94           H  \\nATOM     76 HG22 ILE A   5       2.027  -2.754  -2.184  1.00  0.94           H  \\nATOM     77 HG23 ILE A   5       0.340  -3.253  -1.958  1.00  0.94           H  \\nATOM     78  CD1 ILE A   5       0.087  -1.533   0.197  1.00  0.94           C  \\nATOM     79 HD11 ILE A   5       0.460  -2.556   0.245  1.00  0.94           H  \\nATOM     80 HD12 ILE A   5      -0.968  -1.540  -0.078  1.00  0.94           H  \\nATOM     81 HD13 ILE A   5       0.184  -1.076   1.182  1.00  0.94           H  \\nATOM     82  N   HIS A   6       1.755  -1.153  -5.446  1.00  0.91           N  \\nATOM     83  H   HIS A   6       2.602  -1.516  -5.033  1.00  0.91           H  \\nATOM     84  CA  HIS A   6       1.497  -1.495  -6.826  1.00  0.91           C  \\nATOM     85  HA  HIS A   6       0.645  -0.935  -7.213  1.00  0.91           H  \\nATOM     86  C   HIS A   6       1.183  -2.981  -6.882  1.00  0.91           C  \\nATOM     87  CB  HIS A   6       2.722  -1.105  -7.643  1.00  0.91           C  \\nATOM     88  HB2 HIS A   6       3.588  -1.660  -7.282  1.00  0.91           H  \\nATOM     89  HB3 HIS A   6       2.550  -1.387  -8.681  1.00  0.91           H  \\nATOM     90  O   HIS A   6       1.991  -3.801  -6.443  1.00  0.91           O  \\nATOM     91  CG  HIS A   6       3.042   0.370  -7.605  1.00  0.91           C  \\nATOM     92  CD2 HIS A   6       4.073   0.948  -8.274  1.00  0.91           C  \\nATOM     93  HD2 HIS A   6       4.832   0.425  -8.836  1.00  0.91           H  \\nATOM     94  ND1 HIS A   6       2.258   1.405  -7.138  1.00  0.91           N  \\nATOM     95  HD1 HIS A   6       1.375   1.299  -6.659  1.00  0.91           H  \\nATOM     96  CE1 HIS A   6       2.718   2.556  -7.630  1.00  0.91           C  \\nATOM     97  HE1 HIS A   6       2.252   3.523  -7.510  1.00  0.91           H  \\nATOM     98  NE2 HIS A   6       3.817   2.317  -8.339  1.00  0.91           N  \\nATOM     99  N   ILE A   7      -0.005  -3.327  -7.361  1.00  0.93           N  \\nATOM    100  H   ILE A   7      -0.612  -2.610  -7.733  1.00  0.93           H  \\nATOM    101  CA  ILE A   7      -0.475  -4.711  -7.386  1.00  0.93           C  \\nATOM    102  HA  ILE A   7       0.379  -5.379  -7.269  1.00  0.93           H  \\nATOM    103  C   ILE A   7      -1.094  -5.039  -8.727  1.00  0.93           C  \\nATOM    104  CB  ILE A   7      -1.468  -5.017  -6.243  1.00  0.93           C  \\nATOM    105  HB  ILE A   7      -1.729  -6.073  -6.313  1.00  0.93           H  \\nATOM    106  O   ILE A   7      -1.536  -4.162  -9.455  1.00  0.93           O  \\nATOM    107  CG1 ILE A   7      -2.776  -4.201  -6.357  1.00  0.93           C  \\nATOM    108 HG12 ILE A   7      -3.224  -4.371  -7.335  1.00  0.93           H  \\nATOM    109 HG13 ILE A   7      -2.557  -3.137  -6.271  1.00  0.93           H  \\nATOM    110  CG2 ILE A   7      -0.793  -4.811  -4.879  1.00  0.93           C  \\nATOM    111 HG21 ILE A   7      -1.380  -5.287  -4.093  1.00  0.93           H  \\nATOM    112 HG22 ILE A   7      -0.728  -3.743  -4.672  1.00  0.93           H  \\nATOM    113 HG23 ILE A   7       0.206  -5.247  -4.879  1.00  0.93           H  \\nATOM    114  CD1 ILE A   7      -3.827  -4.586  -5.309  1.00  0.93           C  \\nATOM    115 HD11 ILE A   7      -4.760  -4.068  -5.532  1.00  0.93           H  \\nATOM    116 HD12 ILE A   7      -3.497  -4.295  -4.312  1.00  0.93           H  \\nATOM    117 HD13 ILE A   7      -4.008  -5.660  -5.340  1.00  0.93           H  \\nATOM    118  N   LEU A   8      -1.182  -6.328  -9.016  1.00  0.87           N  \\nATOM    119  H   LEU A   8      -0.836  -6.997  -8.344  1.00  0.87           H  \\nATOM    120  CA  LEU A   8      -2.040  -6.808 -10.085  1.00  0.87           C  \\nATOM    121  HA  LEU A   8      -1.802  -6.274 -11.005  1.00  0.87           H  \\nATOM    122  C   LEU A   8      -3.507  -6.540  -9.747  1.00  0.87           C  \\nATOM    123  CB  LEU A   8      -1.768  -8.299 -10.284  1.00  0.87           C  \\nATOM    124  HB2 LEU A   8      -2.583  -8.744 -10.853  1.00  0.87           H  \\nATOM    125  HB3 LEU A   8      -1.748  -8.787  -9.309  1.00  0.87           H  \\nATOM    126  O   LEU A   8      -3.936  -6.764  -8.613  1.00  0.87           O  \\nATOM    127  CG  LEU A   8      -0.431  -8.498 -11.016  1.00  0.87           C  \\nATOM    128  HG  LEU A   8       0.206  -7.625 -10.876  1.00  0.87           H  \\nATOM    129  CD1 LEU A   8       0.315  -9.720 -10.486  1.00  0.87           C  \\nATOM    130 HD11 LEU A   8       1.241  -9.860 -11.044  1.00  0.87           H  \\nATOM    131 HD12 LEU A   8       0.563  -9.568  -9.436  1.00  0.87           H  \\nATOM    132 HD13 LEU A   8      -0.303 -10.613 -10.588  1.00  0.87           H  \\nATOM    133  CD2 LEU A   8      -0.694  -8.705 -12.497  1.00  0.87           C  \\nATOM    134 HD21 LEU A   8       0.242  -8.871 -13.030  1.00  0.87           H  \\nATOM    135 HD22 LEU A   8      -1.337  -9.581 -12.585  1.00  0.87           H  \\nATOM    136 HD23 LEU A   8      -1.196  -7.828 -12.906  1.00  0.87           H  \\nATOM    137  N   GLU A   9      -4.258  -6.094 -10.746  1.00  0.87           N  \\nATOM    138  H   GLU A   9      -3.816  -5.879 -11.628  1.00  0.87           H  \\nATOM    139  CA  GLU A   9      -5.704  -5.904 -10.647  1.00  0.87           C  \\nATOM    140  HA  GLU A   9      -5.903  -5.231  -9.813  1.00  0.87           H  \\nATOM    141  C   GLU A   9      -6.472  -7.212 -10.373  1.00  0.87           C  \\nATOM    142  CB  GLU A   9      -6.219  -5.219 -11.925  1.00  0.87           C  \\nATOM    143  HB2 GLU A   9      -5.599  -4.347 -12.132  1.00  0.87           H  \\nATOM    144  HB3 GLU A   9      -7.240  -4.881 -11.748  1.00  0.87           H  \\nATOM    145  O   GLU A   9      -5.950  -8.326 -10.507  1.00  0.87           O  \\nATOM    146  CG  GLU A   9      -6.201  -6.142 -13.156  1.00  0.87           C  \\nATOM    147  HG2 GLU A   9      -6.863  -6.990 -12.983  1.00  0.87           H  \\nATOM    148  HG3 GLU A   9      -5.191  -6.529 -13.289  1.00  0.87           H  \\nATOM    149  CD  GLU A   9      -6.639  -5.444 -14.448  1.00  0.87           C  \\nATOM    150  OE1 GLU A   9      -6.324  -6.023 -15.515  1.00  0.87           O  \\nATOM    151  OE2 GLU A   9      -7.246  -4.356 -14.376  1.00  0.87           O  \\nATOM    152  N   GLY A  10      -7.754  -7.067 -10.030  1.00  0.93           N  \\nATOM    153  H   GLY A  10      -8.120  -6.129  -9.956  1.00  0.93           H  \\nATOM    154  CA  GLY A  10      -8.697  -8.183  -9.894  1.00  0.93           C  \\nATOM    155  HA2 GLY A  10      -9.689  -7.831 -10.178  1.00  0.93           H  \\nATOM    156  HA3 GLY A  10      -8.414  -8.986 -10.575  1.00  0.93           H  \\nATOM    157  C   GLY A  10      -8.800  -8.766  -8.486  1.00  0.93           C  \\nATOM    158  O   GLY A  10      -9.551  -9.715  -8.264  1.00  0.93           O  \\nATOM    159  N   ARG A  11      -8.075  -8.206  -7.513  1.00  0.85           N  \\nATOM    160  H   ARG A  11      -7.517  -7.402  -7.762  1.00  0.85           H  \\nATOM    161  CA  ARG A  11      -8.338  -8.466  -6.094  1.00  0.85           C  \\nATOM    162  HA  ARG A  11      -8.448  -9.542  -5.954  1.00  0.85           H  \\nATOM    163  C   ARG A  11      -9.677  -7.856  -5.694  1.00  0.85           C  \\nATOM    164  CB  ARG A  11      -7.188  -7.918  -5.233  1.00  0.85           C  \\nATOM    165  HB2 ARG A  11      -6.994  -6.885  -5.519  1.00  0.85           H  \\nATOM    166  HB3 ARG A  11      -7.485  -7.920  -4.184  1.00  0.85           H  \\nATOM    167  O   ARG A  11     -10.064  -6.807  -6.205  1.00  0.85           O  \\nATOM    168  CG  ARG A  11      -5.894  -8.735  -5.391  1.00  0.85           C  \\nATOM    169  HG2 ARG A  11      -5.671  -8.888  -6.446  1.00  0.85           H  \\nATOM    170  HG3 ARG A  11      -5.070  -8.186  -4.935  1.00  0.85           H  \\nATOM    171  CD  ARG A  11      -6.051 -10.079  -4.680  1.00  0.85           C  \\nATOM    172  HD2 ARG A  11      -6.160  -9.861  -3.617  1.00  0.85           H  \\nATOM    173  HD3 ARG A  11      -6.950 -10.579  -5.040  1.00  0.85           H  \\nATOM    174  NE  ARG A  11      -4.916 -10.994  -4.863  1.00  0.85           N  \\nATOM    175  HE  ARG A  11      -4.196 -10.710  -5.512  1.00  0.85           H  \\nATOM    176  NH1 ARG A  11      -5.719 -12.584  -3.417  1.00  0.85           N  \\nATOM    177 HH11 ARG A  11      -6.528 -11.998  -3.268  1.00  0.85           H  \\nATOM    178 HH12 ARG A  11      -5.625 -13.454  -2.913  1.00  0.85           H  \\nATOM    179  NH2 ARG A  11      -3.764 -12.916  -4.448  1.00  0.85           N  \\nATOM    180 HH21 ARG A  11      -3.687 -13.802  -3.969  1.00  0.85           H  \\nATOM    181 HH22 ARG A  11      -3.038 -12.612  -5.081  1.00  0.85           H  \\nATOM    182  CZ  ARG A  11      -4.804 -12.157  -4.245  1.00  0.85           C  \\nATOM    183  N   SER A  12     -10.363  -8.514  -4.766  1.00  0.95           N  \\nATOM    184  H   SER A  12      -9.965  -9.335  -4.332  1.00  0.95           H  \\nATOM    185  CA  SER A  12     -11.616  -7.988  -4.235  1.00  0.95           C  \\nATOM    186  HA  SER A  12     -12.234  -7.681  -5.079  1.00  0.95           H  \\nATOM    187  C   SER A  12     -11.365  -6.746  -3.376  1.00  0.95           C  \\nATOM    188  CB  SER A  12     -12.382  -9.080  -3.489  1.00  0.95           C  \\nATOM    189  HB2 SER A  12     -12.269 -10.026  -4.019  1.00  0.95           H  \\nATOM    190  HB3 SER A  12     -13.440  -8.821  -3.490  1.00  0.95           H  \\nATOM    191  O   SER A  12     -10.246  -6.520  -2.896  1.00  0.95           O  \\nATOM    192  OG  SER A  12     -11.945  -9.227  -2.152  1.00  0.95           O  \\nATOM    193  HG  SER A  12     -12.704  -8.927  -1.648  1.00  0.95           H  \\nATOM    194  N   ASP A  13     -12.401  -5.938  -3.171  1.00  0.94           N  \\nATOM    195  H   ASP A  13     -13.312  -6.179  -3.534  1.00  0.94           H  \\nATOM    196  CA  ASP A  13     -12.289  -4.724  -2.364  1.00  0.94           C  \\nATOM    197  HA  ASP A  13     -11.439  -4.141  -2.716  1.00  0.94           H  \\nATOM    198  C   ASP A  13     -11.985  -5.050  -0.898  1.00  0.94           C  \\nATOM    199  CB  ASP A  13     -13.546  -3.859  -2.537  1.00  0.94           C  \\nATOM    200  HB2 ASP A  13     -14.432  -4.467  -2.354  1.00  0.94           H  \\nATOM    201  HB3 ASP A  13     -13.522  -3.064  -1.792  1.00  0.94           H  \\nATOM    202  O   ASP A  13     -11.166  -4.372  -0.285  1.00  0.94           O  \\nATOM    203  CG  ASP A  13     -13.638  -3.203  -3.924  1.00  0.94           C  \\nATOM    204  OD1 ASP A  13     -14.752  -2.767  -4.276  1.00  0.94           O  \\nATOM    205  OD2 ASP A  13     -12.595  -3.120  -4.630  1.00  0.94           O  \\nATOM    206  N   GLU A  14     -12.502  -6.162  -0.370  1.00  0.89           N  \\nATOM    207  H   GLU A  14     -13.154  -6.696  -0.927  1.00  0.89           H  \\nATOM    208  CA  GLU A  14     -12.235  -6.622   0.999  1.00  0.89           C  \\nATOM    209  HA  GLU A  14     -12.467  -5.812   1.691  1.00  0.89           H  \\nATOM    210  C   GLU A  14     -10.762  -7.012   1.192  1.00  0.89           C  \\nATOM    211  CB  GLU A  14     -13.110  -7.840   1.361  1.00  0.89           C  \\nATOM    212  HB2 GLU A  14     -12.975  -8.022   2.428  1.00  0.89           H  \\nATOM    213  HB3 GLU A  14     -12.746  -8.730   0.847  1.00  0.89           H  \\nATOM    214  O   GLU A  14     -10.153  -6.731   2.229  1.00  0.89           O  \\nATOM    215  CG  GLU A  14     -14.621  -7.681   1.110  1.00  0.89           C  \\nATOM    216  HG2 GLU A  14     -14.933  -6.689   1.436  1.00  0.89           H  \\nATOM    217  HG3 GLU A  14     -15.136  -8.411   1.735  1.00  0.89           H  \\nATOM    218  CD  GLU A  14     -15.047  -7.918  -0.349  1.00  0.89           C  \\nATOM    219  OE1 GLU A  14     -16.262  -7.841  -0.620  1.00  0.89           O  \\nATOM    220  OE2 GLU A  14     -14.159  -8.206  -1.192  1.00  0.89           O  \\nATOM    221  N   GLN A  15     -10.150  -7.645   0.185  1.00  0.92           N  \\nATOM    222  H   GLN A  15     -10.682  -7.824  -0.655  1.00  0.92           H  \\nATOM    223  CA  GLN A  15      -8.721  -7.971   0.219  1.00  0.92           C  \\nATOM    224  HA  GLN A  15      -8.496  -8.471   1.162  1.00  0.92           H  \\nATOM    225  C   GLN A  15      -7.864  -6.701   0.174  1.00  0.92           C  \\nATOM    226  CB  GLN A  15      -8.366  -8.919  -0.938  1.00  0.92           C  \\nATOM    227  HB2 GLN A  15      -8.754  -8.516  -1.874  1.00  0.92           H  \\nATOM    228  HB3 GLN A  15      -7.282  -8.995  -1.017  1.00  0.92           H  \\nATOM    229  O   GLN A  15      -6.848  -6.622   0.868  1.00  0.92           O  \\nATOM    230  CG  GLN A  15      -8.940 -10.324  -0.701  1.00  0.92           C  \\nATOM    231  HG2 GLN A  15      -8.513 -10.732   0.215  1.00  0.92           H  \\nATOM    232  HG3 GLN A  15     -10.020 -10.256  -0.565  1.00  0.92           H  \\nATOM    233  CD  GLN A  15      -8.674 -11.302  -1.839  1.00  0.92           C  \\nATOM    234  NE2 GLN A  15      -9.038 -12.554  -1.684  1.00  0.92           N  \\nATOM    235 HE21 GLN A  15      -9.034 -13.135  -2.510  1.00  0.92           H  \\nATOM    236 HE22 GLN A  15      -9.591 -12.797  -0.875  1.00  0.92           H  \\nATOM    237  OE1 GLN A  15      -8.105 -11.009  -2.878  1.00  0.92           O  \\nATOM    238  N   LYS A  16      -8.280  -5.697  -0.606  1.00  0.94           N  \\nATOM    239  H   LYS A  16      -9.141  -5.824  -1.119  1.00  0.94           H  \\nATOM    240  CA  LYS A  16      -7.612  -4.390  -0.677  1.00  0.94           C  \\nATOM    241  HA  LYS A  16      -6.542  -4.543  -0.813  1.00  0.94           H  \\nATOM    242  C   LYS A  16      -7.755  -3.605   0.627  1.00  0.94           C  \\nATOM    243  CB  LYS A  16      -8.156  -3.607  -1.882  1.00  0.94           C  \\nATOM    244  HB2 LYS A  16      -9.245  -3.643  -1.881  1.00  0.94           H  \\nATOM    245  HB3 LYS A  16      -7.856  -2.562  -1.798  1.00  0.94           H  \\nATOM    246  O   LYS A  16      -6.764  -3.064   1.108  1.00  0.94           O  \\nATOM    247  CG  LYS A  16      -7.607  -4.180  -3.198  1.00  0.94           C  \\nATOM    248  HG2 LYS A  16      -7.877  -5.232  -3.285  1.00  0.94           H  \\nATOM    249  HG3 LYS A  16      -6.519  -4.117  -3.181  1.00  0.94           H  \\nATOM    250  CD  LYS A  16      -8.110  -3.440  -4.443  1.00  0.94           C  \\nATOM    251  HD2 LYS A  16      -7.565  -3.839  -5.298  1.00  0.94           H  \\nATOM    252  HD3 LYS A  16      -7.897  -2.374  -4.358  1.00  0.94           H  \\nATOM    253  CE  LYS A  16      -9.610  -3.663  -4.661  1.00  0.94           C  \\nATOM    254  HE2 LYS A  16     -10.166  -3.196  -3.848  1.00  0.94           H  \\nATOM    255  HE3 LYS A  16      -9.818  -4.733  -4.633  1.00  0.94           H  \\nATOM    256  NZ  LYS A  16     -10.094  -3.112  -5.946  1.00  0.94           N  \\nATOM    257  HZ1 LYS A  16     -11.095  -3.241  -5.970  1.00  0.94           H  \\nATOM    258  HZ2 LYS A  16      -9.641  -3.563  -6.728  1.00  0.94           H  \\nATOM    259  HZ3 LYS A  16      -9.918  -2.120  -6.020  1.00  0.94           H  \\nATOM    260  N   GLU A  17      -8.936  -3.601   1.237  1.00  0.91           N  \\nATOM    261  H   GLU A  17      -9.725  -4.014   0.761  1.00  0.91           H  \\nATOM    262  CA  GLU A  17      -9.180  -2.993   2.548  1.00  0.91           C  \\nATOM    263  HA  GLU A  17      -8.910  -1.938   2.511  1.00  0.91           H  \\nATOM    264  C   GLU A  17      -8.328  -3.655   3.638  1.00  0.91           C  \\nATOM    265  CB  GLU A  17     -10.676  -3.095   2.873  1.00  0.91           C  \\nATOM    266  HB2 GLU A  17     -10.964  -4.145   2.927  1.00  0.91           H  \\nATOM    267  HB3 GLU A  17     -11.238  -2.616   2.072  1.00  0.91           H  \\nATOM    268  O   GLU A  17      -7.653  -2.967   4.405  1.00  0.91           O  \\nATOM    269  CG  GLU A  17     -11.012  -2.402   4.202  1.00  0.91           C  \\nATOM    270  HG2 GLU A  17     -10.681  -1.365   4.145  1.00  0.91           H  \\nATOM    271  HG3 GLU A  17     -10.460  -2.887   5.008  1.00  0.91           H  \\nATOM    272  CD  GLU A  17     -12.506  -2.436   4.553  1.00  0.91           C  \\nATOM    273  OE1 GLU A  17     -12.840  -1.868   5.617  1.00  0.91           O  \\nATOM    274  OE2 GLU A  17     -13.291  -3.031   3.783  1.00  0.91           O  \\nATOM    275  N   THR A  18      -8.276  -4.991   3.652  1.00  0.96           N  \\nATOM    276  H   THR A  18      -8.886  -5.493   3.022  1.00  0.96           H  \\nATOM    277  CA  THR A  18      -7.428  -5.746   4.587  1.00  0.96           C  \\nATOM    278  HA  THR A  18      -7.716  -5.484   5.606  1.00  0.96           H  \\nATOM    279  C   THR A  18      -5.957  -5.378   4.409  1.00  0.96           C  \\nATOM    280  CB  THR A  18      -7.606  -7.260   4.409  1.00  0.96           C  \\nATOM    281  HB  THR A  18      -7.304  -7.548   3.402  1.00  0.96           H  \\nATOM    282  O   THR A  18      -5.275  -5.087   5.388  1.00  0.96           O  \\nATOM    283  CG2 THR A  18      -6.789  -8.061   5.424  1.00  0.96           C  \\nATOM    284 HG21 THR A  18      -5.723  -7.947   5.230  1.00  0.96           H  \\nATOM    285 HG22 THR A  18      -7.048  -9.117   5.347  1.00  0.96           H  \\nATOM    286 HG23 THR A  18      -7.009  -7.712   6.433  1.00  0.96           H  \\nATOM    287  OG1 THR A  18      -8.953  -7.627   4.598  1.00  0.96           O  \\nATOM    288  HG1 THR A  18      -9.467  -7.268   3.871  1.00  0.96           H  \\nATOM    289  N   LEU A  19      -5.465  -5.324   3.167  1.00  0.96           N  \\nATOM    290  H   LEU A  19      -6.070  -5.564   2.395  1.00  0.96           H  \\nATOM    291  CA  LEU A  19      -4.091  -4.913   2.880  1.00  0.96           C  \\nATOM    292  HA  LEU A  19      -3.419  -5.588   3.410  1.00  0.96           H  \\nATOM    293  C   LEU A  19      -3.806  -3.491   3.381  1.00  0.96           C  \\nATOM    294  CB  LEU A  19      -3.846  -5.032   1.366  1.00  0.96           C  \\nATOM    295  HB2 LEU A  19      -4.558  -4.391   0.847  1.00  0.96           H  \\nATOM    296  HB3 LEU A  19      -4.038  -6.060   1.057  1.00  0.96           H  \\nATOM    297  O   LEU A  19      -2.779  -3.267   4.018  1.00  0.96           O  \\nATOM    298  CG  LEU A  19      -2.426  -4.632   0.924  1.00  0.96           C  \\nATOM    299  HG  LEU A  19      -2.199  -3.620   1.259  1.00  0.96           H  \\nATOM    300  CD1 LEU A  19      -1.365  -5.589   1.471  1.00  0.96           C  \\nATOM    301 HD11 LEU A  19      -1.356  -5.553   2.560  1.00  0.96           H  \\nATOM    302 HD12 LEU A  19      -0.381  -5.289   1.112  1.00  0.96           H  \\nATOM    303 HD13 LEU A  19      -1.577  -6.608   1.147  1.00  0.96           H  \\nATOM    304  CD2 LEU A  19      -2.352  -4.649  -0.602  1.00  0.96           C  \\nATOM    305 HD21 LEU A  19      -3.057  -3.924  -1.010  1.00  0.96           H  \\nATOM    306 HD22 LEU A  19      -2.600  -5.641  -0.978  1.00  0.96           H  \\nATOM    307 HD23 LEU A  19      -1.346  -4.380  -0.923  1.00  0.96           H  \\nATOM    308  N   ILE A  20      -4.712  -2.543   3.120  1.00  0.97           N  \\nATOM    309  H   ILE A  20      -5.537  -2.803   2.598  1.00  0.97           H  \\nATOM    310  CA  ILE A  20      -4.598  -1.162   3.604  1.00  0.97           C  \\nATOM    311  HA  ILE A  20      -3.673  -0.732   3.218  1.00  0.97           H  \\nATOM    312  C   ILE A  20      -4.487  -1.142   5.126  1.00  0.97           C  \\nATOM    313  CB  ILE A  20      -5.785  -0.305   3.104  1.00  0.97           C  \\nATOM    314  HB  ILE A  20      -6.706  -0.875   3.228  1.00  0.97           H  \\nATOM    315  O   ILE A  20      -3.598  -0.465   5.649  1.00  0.97           O  \\nATOM    316  CG1 ILE A  20      -5.594  -0.002   1.603  1.00  0.97           C  \\nATOM    317 HG12 ILE A  20      -5.289  -0.918   1.095  1.00  0.97           H  \\nATOM    318 HG13 ILE A  20      -4.793   0.726   1.473  1.00  0.97           H  \\nATOM    319  CG2 ILE A  20      -5.932   1.005   3.906  1.00  0.97           C  \\nATOM    320 HG21 ILE A  20      -4.992   1.557   3.920  1.00  0.97           H  \\nATOM    321 HG22 ILE A  20      -6.231   0.788   4.931  1.00  0.97           H  \\nATOM    322 HG23 ILE A  20      -6.714   1.633   3.478  1.00  0.97           H  \\nATOM    323  CD1 ILE A  20      -6.854   0.516   0.900  1.00  0.97           C  \\nATOM    324 HD11 ILE A  20      -6.630   0.690  -0.153  1.00  0.97           H  \\nATOM    325 HD12 ILE A  20      -7.190   1.455   1.339  1.00  0.97           H  \\nATOM    326 HD13 ILE A  20      -7.649  -0.226   0.973  1.00  0.97           H  \\nATOM    327  N   ARG A  21      -5.345  -1.885   5.831  1.00  0.90           N  \\nATOM    328  H   ARG A  21      -6.050  -2.409   5.332  1.00  0.90           H  \\nATOM    329  CA  ARG A  21      -5.326  -1.953   7.293  1.00  0.90           C  \\nATOM    330  HA  ARG A  21      -5.396  -0.941   7.692  1.00  0.90           H  \\nATOM    331  C   ARG A  21      -4.009  -2.528   7.808  1.00  0.90           C  \\nATOM    332  CB  ARG A  21      -6.536  -2.754   7.791  1.00  0.90           C  \\nATOM    333  HB2 ARG A  21      -6.458  -3.784   7.441  1.00  0.90           H  \\nATOM    334  HB3 ARG A  21      -7.452  -2.321   7.390  1.00  0.90           H  \\nATOM    335  O   ARG A  21      -3.307  -1.839   8.541  1.00  0.90           O  \\nATOM    336  CG  ARG A  21      -6.595  -2.721   9.326  1.00  0.90           C  \\nATOM    337  HG2 ARG A  21      -5.635  -3.022   9.745  1.00  0.90           H  \\nATOM    338  HG3 ARG A  21      -6.810  -1.705   9.656  1.00  0.90           H  \\nATOM    339  CD  ARG A  21      -7.658  -3.661   9.884  1.00  0.90           C  \\nATOM    340  HD2 ARG A  21      -7.737  -3.474  10.955  1.00  0.90           H  \\nATOM    341  HD3 ARG A  21      -8.614  -3.441   9.408  1.00  0.90           H  \\nATOM    342  NE  ARG A  21      -7.285  -5.073   9.674  1.00  0.90           N  \\nATOM    343  HE  ARG A  21      -6.313  -5.280   9.498  1.00  0.90           H  \\nATOM    344  NH1 ARG A  21      -9.234  -6.015  10.408  1.00  0.90           N  \\nATOM    345 HH11 ARG A  21      -9.576  -5.081  10.587  1.00  0.90           H  \\nATOM    346 HH12 ARG A  21      -9.808  -6.834  10.543  1.00  0.90           H  \\nATOM    347  NH2 ARG A  21      -7.561  -7.309   9.689  1.00  0.90           N  \\nATOM    348 HH21 ARG A  21      -8.075  -8.148   9.917  1.00  0.90           H  \\nATOM    349 HH22 ARG A  21      -6.562  -7.352   9.552  1.00  0.90           H  \\nATOM    350  CZ  ARG A  21      -8.031  -6.124   9.919  1.00  0.90           C  \\nATOM    351  N   GLU A  22      -3.644  -3.737   7.389  1.00  0.94           N  \\nATOM    352  H   GLU A  22      -4.255  -4.227   6.752  1.00  0.94           H  \\nATOM    353  CA  GLU A  22      -2.456  -4.435   7.904  1.00  0.94           C  \\nATOM    354  HA  GLU A  22      -2.525  -4.521   8.988  1.00  0.94           H  \\nATOM    355  C   GLU A  22      -1.160  -3.676   7.593  1.00  0.94           C  \\nATOM    356  CB  GLU A  22      -2.370  -5.848   7.304  1.00  0.94           C  \\nATOM    357  HB2 GLU A  22      -1.432  -6.305   7.618  1.00  0.94           H  \\nATOM    358  HB3 GLU A  22      -2.346  -5.768   6.217  1.00  0.94           H  \\nATOM    359  O   GLU A  22      -0.281  -3.561   8.447  1.00  0.94           O  \\nATOM    360  CG  GLU A  22      -3.523  -6.785   7.695  1.00  0.94           C  \\nATOM    361  HG2 GLU A  22      -4.458  -6.399   7.290  1.00  0.94           H  \\nATOM    362  HG3 GLU A  22      -3.348  -7.755   7.231  1.00  0.94           H  \\nATOM    363  CD  GLU A  22      -3.685  -6.976   9.204  1.00  0.94           C  \\nATOM    364  OE1 GLU A  22      -4.867  -7.028   9.628  1.00  0.94           O  \\nATOM    365  OE2 GLU A  22      -2.650  -7.110   9.892  1.00  0.94           O  \\nATOM    366  N   VAL A  23      -1.037  -3.090   6.395  1.00  0.97           N  \\nATOM    367  H   VAL A  23      -1.779  -3.205   5.719  1.00  0.97           H  \\nATOM    368  CA  VAL A  23       0.126  -2.256   6.048  1.00  0.97           C  \\nATOM    369  HA  VAL A  23       1.032  -2.806   6.303  1.00  0.97           H  \\nATOM    370  C   VAL A  23       0.146  -0.976   6.880  1.00  0.97           C  \\nATOM    371  CB  VAL A  23       0.165  -1.948   4.539  1.00  0.97           C  \\nATOM    372  HB  VAL A  23      -0.797  -1.546   4.222  1.00  0.97           H  \\nATOM    373  O   VAL A  23       1.210  -0.578   7.358  1.00  0.97           O  \\nATOM    374  CG1 VAL A  23       1.249  -0.922   4.180  1.00  0.97           C  \\nATOM    375 HG11 VAL A  23       1.352  -0.842   3.098  1.00  0.97           H  \\nATOM    376 HG12 VAL A  23       0.974   0.059   4.567  1.00  0.97           H  \\nATOM    377 HG13 VAL A  23       2.206  -1.226   4.606  1.00  0.97           H  \\nATOM    378  CG2 VAL A  23       0.465  -3.233   3.756  1.00  0.97           C  \\nATOM    379 HG21 VAL A  23       1.460  -3.603   4.006  1.00  0.97           H  \\nATOM    380 HG22 VAL A  23      -0.266  -4.002   4.004  1.00  0.97           H  \\nATOM    381 HG23 VAL A  23       0.408  -3.038   2.685  1.00  0.97           H  \\nATOM    382  N   SER A  24      -1.010  -0.340   7.094  1.00  0.98           N  \\nATOM    383  H   SER A  24      -1.865  -0.734   6.728  1.00  0.98           H  \\nATOM    384  CA  SER A  24      -1.087   0.858   7.934  1.00  0.98           C  \\nATOM    385  HA  SER A  24      -0.381   1.587   7.536  1.00  0.98           H  \\nATOM    386  C   SER A  24      -0.682   0.560   9.376  1.00  0.98           C  \\nATOM    387  CB  SER A  24      -2.481   1.490   7.915  1.00  0.98           C  \\nATOM    388  HB2 SER A  24      -2.475   2.381   8.544  1.00  0.98           H  \\nATOM    389  HB3 SER A  24      -3.217   0.786   8.303  1.00  0.98           H  \\nATOM    390  O   SER A  24       0.106   1.307   9.957  1.00  0.98           O  \\nATOM    391  OG  SER A  24      -2.832   1.877   6.606  1.00  0.98           O  \\nATOM    392  HG  SER A  24      -3.126   1.077   6.164  1.00  0.98           H  \\nATOM    393  N   GLU A  25      -1.165  -0.550   9.935  1.00  0.95           N  \\nATOM    394  H   GLU A  25      -1.819  -1.109   9.406  1.00  0.95           H  \\nATOM    395  CA  GLU A  25      -0.827  -1.017  11.280  1.00  0.95           C  \\nATOM    396  HA  GLU A  25      -1.010  -0.224  12.005  1.00  0.95           H  \\nATOM    397  C   GLU A  25       0.649  -1.399  11.404  1.00  0.95           C  \\nATOM    398  CB  GLU A  25      -1.711  -2.213  11.649  1.00  0.95           C  \\nATOM    399  HB2 GLU A  25      -1.306  -2.668  12.554  1.00  0.95           H  \\nATOM    400  HB3 GLU A  25      -1.680  -2.948  10.845  1.00  0.95           H  \\nATOM    401  O   GLU A  25       1.296  -1.017  12.380  1.00  0.95           O  \\nATOM    402  CG  GLU A  25      -3.165  -1.797  11.922  1.00  0.95           C  \\nATOM    403  HG2 GLU A  25      -3.568  -1.273  11.056  1.00  0.95           H  \\nATOM    404  HG3 GLU A  25      -3.171  -1.097  12.758  1.00  0.95           H  \\nATOM    405  CD  GLU A  25      -4.068  -2.991  12.263  1.00  0.95           C  \\nATOM    406  OE1 GLU A  25      -5.304  -2.790  12.266  1.00  0.95           O  \\nATOM    407  OE2 GLU A  25      -3.523  -4.071  12.578  1.00  0.95           O  \\nATOM    408  N   ALA A  26       1.213  -2.087  10.409  1.00  0.97           N  \\nATOM    409  H   ALA A  26       0.625  -2.425   9.660  1.00  0.97           H  \\nATOM    410  CA  ALA A  26       2.630  -2.438  10.390  1.00  0.97           C  \\nATOM    411  HA  ALA A  26       2.859  -3.001  11.294  1.00  0.97           H  \\nATOM    412  C   ALA A  26       3.521  -1.188  10.388  1.00  0.97           C  \\nATOM    413  CB  ALA A  26       2.905  -3.336   9.179  1.00  0.97           C  \\nATOM    414  HB1 ALA A  26       2.664  -2.808   8.256  1.00  0.97           H  \\nATOM    415  HB2 ALA A  26       3.957  -3.622   9.166  1.00  0.97           H  \\nATOM    416  HB3 ALA A  26       2.292  -4.235   9.241  1.00  0.97           H  \\nATOM    417  O   ALA A  26       4.431  -1.083  11.207  1.00  0.97           O  \\nATOM    418  N   ILE A  27       3.229  -0.206   9.528  1.00  0.97           N  \\nATOM    419  H   ILE A  27       2.460  -0.349   8.889  1.00  0.97           H  \\nATOM    420  CA  ILE A  27       3.969   1.064   9.480  1.00  0.97           C  \\nATOM    421  HA  ILE A  27       5.030   0.848   9.355  1.00  0.97           H  \\nATOM    422  C   ILE A  27       3.817   1.829  10.798  1.00  0.97           C  \\nATOM    423  CB  ILE A  27       3.489   1.910   8.281  1.00  0.97           C  \\nATOM    424  HB  ILE A  27       2.402   1.979   8.331  1.00  0.97           H  \\nATOM    425  O   ILE A  27       4.807   2.327  11.335  1.00  0.97           O  \\nATOM    426  CG1 ILE A  27       3.887   1.232   6.950  1.00  0.97           C  \\nATOM    427 HG12 ILE A  27       4.964   1.311   6.807  1.00  0.97           H  \\nATOM    428 HG13 ILE A  27       3.643   0.170   6.985  1.00  0.97           H  \\nATOM    429  CG2 ILE A  27       4.071   3.338   8.319  1.00  0.97           C  \\nATOM    430 HG21 ILE A  27       3.712   3.912   7.465  1.00  0.97           H  \\nATOM    431 HG22 ILE A  27       5.159   3.286   8.290  1.00  0.97           H  \\nATOM    432 HG23 ILE A  27       3.755   3.860   9.222  1.00  0.97           H  \\nATOM    433  CD1 ILE A  27       3.172   1.824   5.730  1.00  0.97           C  \\nATOM    434 HD11 ILE A  27       3.402   1.214   4.856  1.00  0.97           H  \\nATOM    435 HD12 ILE A  27       3.509   2.843   5.538  1.00  0.97           H  \\nATOM    436 HD13 ILE A  27       2.094   1.818   5.890  1.00  0.97           H  \\nATOM    437  N   SER A  28       2.589   1.915  11.318  1.00  0.97           N  \\nATOM    438  H   SER A  28       1.827   1.474  10.822  1.00  0.97           H  \\nATOM    439  CA  SER A  28       2.284   2.585  12.584  1.00  0.97           C  \\nATOM    440  HA  SER A  28       2.572   3.633  12.505  1.00  0.97           H  \\nATOM    441  C   SER A  28       3.074   1.974  13.740  1.00  0.97           C  \\nATOM    442  CB  SER A  28       0.775   2.518  12.840  1.00  0.97           C  \\nATOM    443  HB2 SER A  28       0.451   1.477  12.843  1.00  0.97           H  \\nATOM    444  HB3 SER A  28       0.260   3.037  12.032  1.00  0.97           H  \\nATOM    445  O   SER A  28       3.760   2.700  14.450  1.00  0.97           O  \\nATOM    446  OG  SER A  28       0.418   3.109  14.071  1.00  0.97           O  \\nATOM    447  HG  SER A  28       0.955   3.893  14.208  1.00  0.97           H  \\nATOM    448  N   ARG A  29       3.074   0.642  13.871  1.00  0.85           N  \\nATOM    449  H   ARG A  29       2.491   0.110  13.241  1.00  0.85           H  \\nATOM    450  CA  ARG A  29       3.822  -0.086  14.904  1.00  0.85           C  \\nATOM    451  HA  ARG A  29       3.583   0.339  15.879  1.00  0.85           H  \\nATOM    452  C   ARG A  29       5.334   0.052  14.744  1.00  0.85           C  \\nATOM    453  CB  ARG A  29       3.391  -1.559  14.864  1.00  0.85           C  \\nATOM    454  HB2 ARG A  29       3.516  -1.934  13.848  1.00  0.85           H  \\nATOM    455  HB3 ARG A  29       2.334  -1.619  15.120  1.00  0.85           H  \\nATOM    456  O   ARG A  29       6.024   0.307  15.722  1.00  0.85           O  \\nATOM    457  CG  ARG A  29       4.204  -2.456  15.815  1.00  0.85           C  \\nATOM    458  HG2 ARG A  29       5.264  -2.396  15.569  1.00  0.85           H  \\nATOM    459  HG3 ARG A  29       4.068  -2.121  16.844  1.00  0.85           H  \\nATOM    460  CD  ARG A  29       3.795  -3.926  15.686  1.00  0.85           C  \\nATOM    461  HD2 ARG A  29       3.873  -4.214  14.638  1.00  0.85           H  \\nATOM    462  HD3 ARG A  29       4.499  -4.531  16.258  1.00  0.85           H  \\nATOM    463  NE  ARG A  29       2.434  -4.162  16.207  1.00  0.85           N  \\nATOM    464  HE  ARG A  29       2.182  -3.649  17.039  1.00  0.85           H  \\nATOM    465  NH1 ARG A  29       1.676  -5.610  14.582  1.00  0.85           N  \\nATOM    466 HH11 ARG A  29       2.557  -5.536  14.093  1.00  0.85           H  \\nATOM    467 HH12 ARG A  29       0.898  -6.082  14.142  1.00  0.85           H  \\nATOM    468  NH2 ARG A  29       0.313  -4.983  16.219  1.00  0.85           N  \\nATOM    469 HH21 ARG A  29      -0.434  -5.462  15.735  1.00  0.85           H  \\nATOM    470 HH22 ARG A  29       0.086  -4.408  17.018  1.00  0.85           H  \\nATOM    471  CZ  ARG A  29       1.491  -4.917  15.670  1.00  0.85           C  \\nATOM    472  N   SER A  30       5.864  -0.168  13.542  1.00  0.96           N  \\nATOM    473  H   SER A  30       5.255  -0.415  12.775  1.00  0.96           H  \\nATOM    474  CA  SER A  30       7.316  -0.215  13.325  1.00  0.96           C  \\nATOM    475  HA  SER A  30       7.763  -0.885  14.059  1.00  0.96           H  \\nATOM    476  C   SER A  30       7.996   1.140  13.498  1.00  0.96           C  \\nATOM    477  CB  SER A  30       7.626  -0.745  11.925  1.00  0.96           C  \\nATOM    478  HB2 SER A  30       7.032  -0.205  11.187  1.00  0.96           H  \\nATOM    479  HB3 SER A  30       8.682  -0.592  11.704  1.00  0.96           H  \\nATOM    480  O   SER A  30       9.166   1.179  13.866  1.00  0.96           O  \\nATOM    481  OG  SER A  30       7.341  -2.128  11.855  1.00  0.96           O  \\nATOM    482  HG  SER A  30       7.974  -2.594  12.407  1.00  0.96           H  \\nATOM    483  N   LEU A  31       7.287   2.234  13.216  1.00  0.96           N  \\nATOM    484  H   LEU A  31       6.336   2.125  12.895  1.00  0.96           H  \\nATOM    485  CA  LEU A  31       7.814   3.595  13.336  1.00  0.96           C  \\nATOM    486  HA  LEU A  31       8.897   3.561  13.453  1.00  0.96           H  \\nATOM    487  C   LEU A  31       7.297   4.333  14.576  1.00  0.96           C  \\nATOM    488  CB  LEU A  31       7.482   4.372  12.049  1.00  0.96           C  \\nATOM    489  HB2 LEU A  31       7.841   5.396  12.159  1.00  0.96           H  \\nATOM    490  HB3 LEU A  31       6.398   4.412  11.946  1.00  0.96           H  \\nATOM    491  O   LEU A  31       7.621   5.507  14.734  1.00  0.96           O  \\nATOM    492  CG  LEU A  31       8.087   3.785  10.764  1.00  0.96           C  \\nATOM    493  HG  LEU A  31       7.738   2.762  10.618  1.00  0.96           H  \\nATOM    494  CD1 LEU A  31       7.620   4.621   9.571  1.00  0.96           C  \\nATOM    495 HD11 LEU A  31       7.994   4.180   8.647  1.00  0.96           H  \\nATOM    496 HD12 LEU A  31       6.530   4.632   9.550  1.00  0.96           H  \\nATOM    497 HD13 LEU A  31       7.992   5.641   9.667  1.00  0.96           H  \\nATOM    498  CD2 LEU A  31       9.617   3.793  10.783  1.00  0.96           C  \\nATOM    499 HD21 LEU A  31       9.986   4.798  10.989  1.00  0.96           H  \\nATOM    500 HD22 LEU A  31      10.003   3.451   9.822  1.00  0.96           H  \\nATOM    501 HD23 LEU A  31       9.979   3.114  11.555  1.00  0.96           H  \\nATOM    502  N   ASP A  32       6.464   3.681  15.393  1.00  0.93           N  \\nATOM    503  H   ASP A  32       6.295   2.699  15.231  1.00  0.93           H  \\nATOM    504  CA  ASP A  32       5.680   4.316  16.463  1.00  0.93           C  \\nATOM    505  HA  ASP A  32       4.901   3.603  16.730  1.00  0.93           H  \\nATOM    506  C   ASP A  32       4.942   5.582  15.973  1.00  0.93           C  \\nATOM    507  CB  ASP A  32       6.559   4.511  17.706  1.00  0.93           C  \\nATOM    508  HB2 ASP A  32       7.236   5.349  17.545  1.00  0.93           H  \\nATOM    509  HB3 ASP A  32       7.161   3.615  17.857  1.00  0.93           H  \\nATOM    510  O   ASP A  32       4.881   6.630  16.614  1.00  0.93           O  \\nATOM    511  CG  ASP A  32       5.740   4.740  18.980  1.00  0.93           C  \\nATOM    512  OD1 ASP A  32       6.303   5.353  19.915  1.00  0.93           O  \\nATOM    513  OD2 ASP A  32       4.593   4.238  19.045  1.00  0.93           O  \\nATOM    514  N   ALA A  33       4.428   5.507  14.743  1.00  0.96           N  \\nATOM    515  H   ALA A  33       4.426   4.590  14.319  1.00  0.96           H  \\nATOM    516  CA  ALA A  33       3.752   6.607  14.075  1.00  0.96           C  \\nATOM    517  HA  ALA A  33       4.118   7.537  14.510  1.00  0.96           H  \\nATOM    518  C   ALA A  33       2.235   6.503  14.289  1.00  0.96           C  \\nATOM    519  CB  ALA A  33       4.132   6.611  12.589  1.00  0.96           C  \\nATOM    520  HB1 ALA A  33       3.824   5.673  12.126  1.00  0.96           H  \\nATOM    521  HB2 ALA A  33       3.641   7.445  12.087  1.00  0.96           H  \\nATOM    522  HB3 ALA A  33       5.212   6.720  12.497  1.00  0.96           H  \\nATOM    523  O   ALA A  33       1.693   5.396  14.248  1.00  0.96           O  \\nATOM    524  N   PRO A  34       1.495   7.622  14.409  1.00  0.96           N  \\nATOM    525  CA  PRO A  34       0.042   7.573  14.540  1.00  0.96           C  \\nATOM    526  HA  PRO A  34      -0.207   7.032  15.453  1.00  0.96           H  \\nATOM    527  C   PRO A  34      -0.595   6.887  13.330  1.00  0.96           C  \\nATOM    528  CB  PRO A  34      -0.418   9.032  14.667  1.00  0.96           C  \\nATOM    529  HB2 PRO A  34      -1.247   9.130  15.368  1.00  0.96           H  \\nATOM    530  HB3 PRO A  34      -0.698   9.436  13.695  1.00  0.96           H  \\nATOM    531  O   PRO A  34      -0.387   7.333  12.197  1.00  0.96           O  \\nATOM    532  CG  PRO A  34       0.828   9.761  15.167  1.00  0.96           C  \\nATOM    533  HG2 PRO A  34       0.894   9.668  16.251  1.00  0.96           H  \\nATOM    534  HG3 PRO A  34       0.830  10.811  14.872  1.00  0.96           H  \\nATOM    535  CD  PRO A  34       1.975   8.989  14.523  1.00  0.96           C  \\nATOM    536  HD2 PRO A  34       2.857   9.059  15.159  1.00  0.96           H  \\nATOM    537  HD3 PRO A  34       2.186   9.386  13.530  1.00  0.96           H  \\nATOM    538  N   LEU A  35      -1.411   5.854  13.561  1.00  0.95           N  \\nATOM    539  H   LEU A  35      -1.438   5.472  14.496  1.00  0.95           H  \\nATOM    540  CA  LEU A  35      -2.085   5.094  12.501  1.00  0.95           C  \\nATOM    541  HA  LEU A  35      -1.324   4.583  11.911  1.00  0.95           H  \\nATOM    542  C   LEU A  35      -2.876   6.004  11.549  1.00  0.95           C  \\nATOM    543  CB  LEU A  35      -3.003   4.048  13.163  1.00  0.95           C  \\nATOM    544  HB2 LEU A  35      -2.410   3.441  13.848  1.00  0.95           H  \\nATOM    545  HB3 LEU A  35      -3.760   4.569  13.749  1.00  0.95           H  \\nATOM    546  O   LEU A  35      -2.808   5.853  10.337  1.00  0.95           O  \\nATOM    547  CG  LEU A  35      -3.715   3.108  12.171  1.00  0.95           C  \\nATOM    548  HG  LEU A  35      -4.290   3.692  11.451  1.00  0.95           H  \\nATOM    549  CD1 LEU A  35      -2.718   2.231  11.424  1.00  0.95           C  \\nATOM    550 HD11 LEU A  35      -3.254   1.500  10.818  1.00  0.95           H  \\nATOM    551 HD12 LEU A  35      -2.095   2.842  10.770  1.00  0.95           H  \\nATOM    552 HD13 LEU A  35      -2.088   1.702  12.140  1.00  0.95           H  \\nATOM    553  CD2 LEU A  35      -4.683   2.198  12.923  1.00  0.95           C  \\nATOM    554 HD21 LEU A  35      -5.429   2.794  13.449  1.00  0.95           H  \\nATOM    555 HD22 LEU A  35      -5.195   1.541  12.220  1.00  0.95           H  \\nATOM    556 HD23 LEU A  35      -4.141   1.582  13.640  1.00  0.95           H  \\nATOM    557  N   THR A  36      -3.545   7.025  12.086  1.00  0.95           N  \\nATOM    558  H   THR A  36      -3.516   7.133  13.090  1.00  0.95           H  \\nATOM    559  CA  THR A  36      -4.327   8.014  11.320  1.00  0.95           C  \\nATOM    560  HA  THR A  36      -5.055   7.487  10.703  1.00  0.95           H  \\nATOM    561  C   THR A  36      -3.485   8.886  10.379  1.00  0.95           C  \\nATOM    562  CB  THR A  36      -5.078   8.941  12.286  1.00  0.95           C  \\nATOM    563  HB  THR A  36      -5.605   9.706  11.717  1.00  0.95           H  \\nATOM    564  O   THR A  36      -4.002   9.460   9.416  1.00  0.95           O  \\nATOM    565  CG2 THR A  36      -6.088   8.186  13.150  1.00  0.95           C  \\nATOM    566 HG21 THR A  36      -6.777   7.637  12.508  1.00  0.95           H  \\nATOM    567 HG22 THR A  36      -6.660   8.893  13.750  1.00  0.95           H  \\nATOM    568 HG23 THR A  36      -5.583   7.482  13.812  1.00  0.95           H  \\nATOM    569  OG1 THR A  36      -4.162   9.558  13.166  1.00  0.95           O  \\nATOM    570  HG1 THR A  36      -4.671  10.067  13.801  1.00  0.95           H  \\nATOM    571  N   SER A  37      -2.179   8.998  10.636  1.00  0.95           N  \\nATOM    572  H   SER A  37      -1.813   8.474  11.418  1.00  0.95           H  \\nATOM    573  CA  SER A  37      -1.230   9.680   9.751  1.00  0.95           C  \\nATOM    574  HA  SER A  37      -1.737  10.521   9.279  1.00  0.95           H  \\nATOM    575  C   SER A  37      -0.712   8.773   8.633  1.00  0.95           C  \\nATOM    576  CB  SER A  37      -0.055  10.243  10.556  1.00  0.95           C  \\nATOM    577  HB2 SER A  37      -0.421  10.692  11.479  1.00  0.95           H  \\nATOM    578  HB3 SER A  37       0.433  11.018   9.966  1.00  0.95           H  \\nATOM    579  O   SER A  37      -0.055   9.260   7.707  1.00  0.95           O  \\nATOM    580  OG  SER A  37       0.904   9.241  10.851  1.00  0.95           O  \\nATOM    581  HG  SER A  37       0.486   8.559  11.382  1.00  0.95           H  \\nATOM    582  N   VAL A  38      -0.954   7.462   8.727  1.00  0.97           N  \\nATOM    583  H   VAL A  38      -1.543   7.117   9.472  1.00  0.97           H  \\nATOM    584  CA  VAL A  38      -0.581   6.502   7.695  1.00  0.97           C  \\nATOM    585  HA  VAL A  38       0.359   6.837   7.257  1.00  0.97           H  \\nATOM    586  C   VAL A  38      -1.653   6.512   6.615  1.00  0.97           C  \\nATOM    587  CB  VAL A  38      -0.312   5.088   8.238  1.00  0.97           C  \\nATOM    588  HB  VAL A  38      -1.233   4.629   8.596  1.00  0.97           H  \\nATOM    589  O   VAL A  38      -2.837   6.324   6.876  1.00  0.97           O  \\nATOM    590  CG1 VAL A  38       0.275   4.236   7.106  1.00  0.97           C  \\nATOM    591 HG11 VAL A  38       0.711   3.327   7.521  1.00  0.97           H  \\nATOM    592 HG12 VAL A  38       1.061   4.774   6.577  1.00  0.97           H  \\nATOM    593 HG13 VAL A  38      -0.512   3.954   6.407  1.00  0.97           H  \\nATOM    594  CG2 VAL A  38       0.714   5.112   9.382  1.00  0.97           C  \\nATOM    595 HG21 VAL A  38       0.896   4.093   9.725  1.00  0.97           H  \\nATOM    596 HG22 VAL A  38       1.654   5.550   9.045  1.00  0.97           H  \\nATOM    597 HG23 VAL A  38       0.322   5.678  10.227  1.00  0.97           H  \\nATOM    598  N   ARG A  39      -1.236   6.789   5.384  1.00  0.89           N  \\nATOM    599  H   ARG A  39      -0.250   6.965   5.252  1.00  0.89           H  \\nATOM    600  CA  ARG A  39      -2.084   6.727   4.196  1.00  0.89           C  \\nATOM    601  HA  ARG A  39      -3.098   6.449   4.482  1.00  0.89           H  \\nATOM    602  C   ARG A  39      -1.548   5.630   3.301  1.00  0.89           C  \\nATOM    603  CB  ARG A  39      -2.110   8.080   3.466  1.00  0.89           C  \\nATOM    604  HB2 ARG A  39      -1.129   8.254   3.025  1.00  0.89           H  \\nATOM    605  HB3 ARG A  39      -2.828   8.019   2.648  1.00  0.89           H  \\nATOM    606  O   ARG A  39      -0.341   5.563   3.081  1.00  0.89           O  \\nATOM    607  CG  ARG A  39      -2.463   9.289   4.348  1.00  0.89           C  \\nATOM    608  HG2 ARG A  39      -1.711   9.412   5.128  1.00  0.89           H  \\nATOM    609  HG3 ARG A  39      -2.450  10.183   3.725  1.00  0.89           H  \\nATOM    610  CD  ARG A  39      -3.849   9.150   4.991  1.00  0.89           C  \\nATOM    611  HD2 ARG A  39      -3.848   8.286   5.655  1.00  0.89           H  \\nATOM    612  HD3 ARG A  39      -4.594   8.964   4.217  1.00  0.89           H  \\nATOM    613  NE  ARG A  39      -4.205  10.339   5.790  1.00  0.89           N  \\nATOM    614  HE  ARG A  39      -3.951  10.294   6.766  1.00  0.89           H  \\nATOM    615  NH1 ARG A  39      -5.415  11.475   4.194  1.00  0.89           N  \\nATOM    616 HH11 ARG A  39      -5.272  10.707   3.554  1.00  0.89           H  \\nATOM    617 HH12 ARG A  39      -5.988  12.262   3.925  1.00  0.89           H  \\nATOM    618  NH2 ARG A  39      -5.161  12.352   6.229  1.00  0.89           N  \\nATOM    619 HH21 ARG A  39      -4.844  12.274   7.185  1.00  0.89           H  \\nATOM    620 HH22 ARG A  39      -5.730  13.137   5.946  1.00  0.89           H  \\nATOM    621  CZ  ARG A  39      -4.921  11.379   5.398  1.00  0.89           C  \\nATOM    622  N   VAL A  40      -2.435   4.810   2.763  1.00  0.97           N  \\nATOM    623  H   VAL A  40      -3.414   4.917   2.985  1.00  0.97           H  \\nATOM    624  CA  VAL A  40      -2.075   3.778   1.795  1.00  0.97           C  \\nATOM    625  HA  VAL A  40      -1.007   3.831   1.583  1.00  0.97           H  \\nATOM    626  C   VAL A  40      -2.829   4.063   0.509  1.00  0.97           C  \\nATOM    627  CB  VAL A  40      -2.343   2.366   2.335  1.00  0.97           C  \\nATOM    628  HB  VAL A  40      -3.412   2.255   2.517  1.00  0.97           H  \\nATOM    629  O   VAL A  40      -4.038   4.274   0.524  1.00  0.97           O  \\nATOM    630  CG1 VAL A  40      -1.888   1.297   1.336  1.00  0.97           C  \\nATOM    631 HG11 VAL A  40      -2.474   1.360   0.419  1.00  0.97           H  \\nATOM    632 HG12 VAL A  40      -2.038   0.306   1.763  1.00  0.97           H  \\nATOM    633 HG13 VAL A  40      -0.832   1.428   1.100  1.00  0.97           H  \\nATOM    634  CG2 VAL A  40      -1.590   2.125   3.649  1.00  0.97           C  \\nATOM    635 HG21 VAL A  40      -0.515   2.227   3.499  1.00  0.97           H  \\nATOM    636 HG22 VAL A  40      -1.912   2.839   4.407  1.00  0.97           H  \\nATOM    637 HG23 VAL A  40      -1.804   1.122   4.018  1.00  0.97           H  \\nATOM    638  N   ILE A  41      -2.099   4.106  -0.596  1.00  0.95           N  \\nATOM    639  H   ILE A  41      -1.105   3.949  -0.514  1.00  0.95           H  \\nATOM    640  CA  ILE A  41      -2.643   4.261  -1.940  1.00  0.95           C  \\nATOM    641  HA  ILE A  41      -3.719   4.429  -1.892  1.00  0.95           H  \\nATOM    642  C   ILE A  41      -2.386   2.952  -2.668  1.00  0.95           C  \\nATOM    643  CB  ILE A  41      -1.997   5.462  -2.662  1.00  0.95           C  \\nATOM    644  HB  ILE A  41      -0.921   5.289  -2.707  1.00  0.95           H  \\nATOM    645  O   ILE A  41      -1.245   2.497  -2.737  1.00  0.95           O  \\nATOM    646  CG1 ILE A  41      -2.247   6.775  -1.881  1.00  0.95           C  \\nATOM    647 HG12 ILE A  41      -3.314   6.999  -1.882  1.00  0.95           H  \\nATOM    648 HG13 ILE A  41      -1.932   6.650  -0.846  1.00  0.95           H  \\nATOM    649  CG2 ILE A  41      -2.533   5.564  -4.103  1.00  0.95           C  \\nATOM    650 HG21 ILE A  41      -3.613   5.714  -4.095  1.00  0.95           H  \\nATOM    651 HG22 ILE A  41      -2.062   6.393  -4.632  1.00  0.95           H  \\nATOM    652 HG23 ILE A  41      -2.306   4.658  -4.665  1.00  0.95           H  \\nATOM    653  CD1 ILE A  41      -1.480   7.985  -2.428  1.00  0.95           C  \\nATOM    654 HD11 ILE A  41      -1.850   8.264  -3.414  1.00  0.95           H  \\nATOM    655 HD12 ILE A  41      -0.415   7.756  -2.484  1.00  0.95           H  \\nATOM    656 HD13 ILE A  41      -1.622   8.831  -1.756  1.00  0.95           H  \\nATOM    657  N   ILE A  42      -3.436   2.358  -3.221  1.00  0.95           N  \\nATOM    658  H   ILE A  42      -4.343   2.797  -3.154  1.00  0.95           H  \\nATOM    659  CA  ILE A  42      -3.310   1.199  -4.098  1.00  0.95           C  \\nATOM    660  HA  ILE A  42      -2.343   0.723  -3.934  1.00  0.95           H  \\nATOM    661  C   ILE A  42      -3.335   1.689  -5.541  1.00  0.95           C  \\nATOM    662  CB  ILE A  42      -4.384   0.139  -3.784  1.00  0.95           C  \\nATOM    663  HB  ILE A  42      -5.368   0.606  -3.824  1.00  0.95           H  \\nATOM    664  O   ILE A  42      -4.204   2.460  -5.941  1.00  0.95           O  \\nATOM    665  CG1 ILE A  42      -4.137  -0.412  -2.358  1.00  0.95           C  \\nATOM    666 HG12 ILE A  42      -4.182   0.406  -1.638  1.00  0.95           H  \\nATOM    667 HG13 ILE A  42      -3.141  -0.851  -2.308  1.00  0.95           H  \\nATOM    668  CG2 ILE A  42      -4.339  -0.994  -4.826  1.00  0.95           C  \\nATOM    669 HG21 ILE A  42      -4.512  -0.607  -5.830  1.00  0.95           H  \\nATOM    670 HG22 ILE A  42      -3.371  -1.495  -4.794  1.00  0.95           H  \\nATOM    671 HG23 ILE A  42      -5.131  -1.719  -4.641  1.00  0.95           H  \\nATOM    672  CD1 ILE A  42      -5.152  -1.466  -1.912  1.00  0.95           C  \\nATOM    673 HD11 ILE A  42      -5.084  -2.356  -2.537  1.00  0.95           H  \\nATOM    674 HD12 ILE A  42      -6.158  -1.049  -1.959  1.00  0.95           H  \\nATOM    675 HD13 ILE A  42      -4.930  -1.773  -0.889  1.00  0.95           H  \\nATOM    676  N   THR A  43      -2.372   1.223  -6.321  1.00  0.95           N  \\nATOM    677  H   THR A  43      -1.668   0.630  -5.906  1.00  0.95           H  \\nATOM    678  CA  THR A  43      -2.341   1.366  -7.771  1.00  0.95           C  \\nATOM    679  HA  THR A  43      -3.209   1.931  -8.113  1.00  0.95           H  \\nATOM    680  C   THR A  43      -2.417  -0.029  -8.361  1.00  0.95           C  \\nATOM    681  CB  THR A  43      -1.077   2.099  -8.226  1.00  0.95           C  \\nATOM    682  HB  THR A  43      -0.204   1.488  -7.999  1.00  0.95           H  \\nATOM    683  O   THR A  43      -1.523  -0.851  -8.159  1.00  0.95           O  \\nATOM    684  CG2 THR A  43      -1.097   2.406  -9.720  1.00  0.95           C  \\nATOM    685 HG21 THR A  43      -1.966   3.015  -9.970  1.00  0.95           H  \\nATOM    686 HG22 THR A  43      -0.187   2.944  -9.988  1.00  0.95           H  \\nATOM    687 HG23 THR A  43      -1.131   1.480 -10.294  1.00  0.95           H  \\nATOM    688  OG1 THR A  43      -0.966   3.331  -7.541  1.00  0.95           O  \\nATOM    689  HG1 THR A  43      -1.858   3.675  -7.451  1.00  0.95           H  \\nATOM    690  N   GLU A  44      -3.508  -0.308  -9.059  1.00  0.92           N  \\nATOM    691  H   GLU A  44      -4.216   0.398  -9.201  1.00  0.92           H  \\nATOM    692  CA  GLU A  44      -3.683  -1.570  -9.763  1.00  0.92           C  \\nATOM    693  HA  GLU A  44      -3.191  -2.362  -9.198  1.00  0.92           H  \\nATOM    694  C   GLU A  44      -3.005  -1.490 -11.134  1.00  0.92           C  \\nATOM    695  CB  GLU A  44      -5.169  -1.943  -9.845  1.00  0.92           C  \\nATOM    696  HB2 GLU A  44      -5.269  -2.841 -10.453  1.00  0.92           H  \\nATOM    697  HB3 GLU A  44      -5.719  -1.131 -10.321  1.00  0.92           H  \\nATOM    698  O   GLU A  44      -3.057  -0.475 -11.828  1.00  0.92           O  \\nATOM    699  CG  GLU A  44      -5.752  -2.229  -8.448  1.00  0.92           C  \\nATOM    700  HG2 GLU A  44      -5.160  -3.015  -7.981  1.00  0.92           H  \\nATOM    701  HG3 GLU A  44      -5.666  -1.335  -7.831  1.00  0.92           H  \\nATOM    702  CD  GLU A  44      -7.228  -2.655  -8.481  1.00  0.92           C  \\nATOM    703  OE1 GLU A  44      -7.599  -3.590  -7.733  1.00  0.92           O  \\nATOM    704  OE2 GLU A  44      -8.018  -2.006  -9.193  1.00  0.92           O  \\nATOM    705  N   MET A  45      -2.334  -2.570 -11.508  1.00  0.90           N  \\nATOM    706  H   MET A  45      -2.290  -3.341 -10.857  1.00  0.90           H  \\nATOM    707  CA  MET A  45      -1.642  -2.741 -12.772  1.00  0.90           C  \\nATOM    708  HA  MET A  45      -1.763  -1.844 -13.379  1.00  0.90           H  \\nATOM    709  C   MET A  45      -2.260  -3.916 -13.517  1.00  0.90           C  \\nATOM    710  CB  MET A  45      -0.142  -2.978 -12.548  1.00  0.90           C  \\nATOM    711  HB2 MET A  45       0.001  -3.862 -11.927  1.00  0.90           H  \\nATOM    712  HB3 MET A  45       0.318  -3.166 -13.519  1.00  0.90           H  \\nATOM    713  O   MET A  45      -2.467  -4.997 -12.957  1.00  0.90           O  \\nATOM    714  CG  MET A  45       0.559  -1.786 -11.888  1.00  0.90           C  \\nATOM    715  HG2 MET A  45       0.165  -1.671 -10.878  1.00  0.90           H  \\nATOM    716  HG3 MET A  45       0.324  -0.880 -12.445  1.00  0.90           H  \\nATOM    717  SD  MET A  45       2.365  -1.949 -11.776  1.00  0.90           S  \\nATOM    718  CE  MET A  45       2.833  -1.777 -13.522  1.00  0.90           C  \\nATOM    719  HE1 MET A  45       3.919  -1.769 -13.604  1.00  0.90           H  \\nATOM    720  HE2 MET A  45       2.436  -0.843 -13.918  1.00  0.90           H  \\nATOM    721  HE3 MET A  45       2.442  -2.616 -14.099  1.00  0.90           H  \\nATOM    722  N   ALA A  46      -2.493  -3.726 -14.810  1.00  0.93           N  \\nATOM    723  H   ALA A  46      -2.360  -2.808 -15.209  1.00  0.93           H  \\nATOM    724  CA  ALA A  46      -2.914  -4.805 -15.683  1.00  0.93           C  \\nATOM    725  HA  ALA A  46      -3.784  -5.289 -15.240  1.00  0.93           H  \\nATOM    726  C   ALA A  46      -1.791  -5.843 -15.838  1.00  0.93           C  \\nATOM    727  CB  ALA A  46      -3.339  -4.214 -17.030  1.00  0.93           C  \\nATOM    728  HB1 ALA A  46      -4.149  -3.502 -16.875  1.00  0.93           H  \\nATOM    729  HB2 ALA A  46      -3.705  -5.009 -17.680  1.00  0.93           H  \\nATOM    730  HB3 ALA A  46      -2.499  -3.710 -17.508  1.00  0.93           H  \\nATOM    731  O   ALA A  46      -0.618  -5.500 -16.024  1.00  0.93           O  \\nATOM    732  N   LYS A  47      -2.160  -7.129 -15.859  1.00  0.87           N  \\nATOM    733  H   LYS A  47      -3.134  -7.326 -15.681  1.00  0.87           H  \\nATOM    734  CA  LYS A  47      -1.224  -8.248 -16.096  1.00  0.87           C  \\nATOM    735  HA  LYS A  47      -0.531  -8.337 -15.260  1.00  0.87           H  \\nATOM    736  C   LYS A  47      -0.362  -8.053 -17.346  1.00  0.87           C  \\nATOM    737  CB  LYS A  47      -2.020  -9.547 -16.259  1.00  0.87           C  \\nATOM    738  HB2 LYS A  47      -1.370 -10.275 -16.745  1.00  0.87           H  \\nATOM    739  HB3 LYS A  47      -2.886  -9.375 -16.899  1.00  0.87           H  \\nATOM    740  O   LYS A  47       0.821  -8.380 -17.345  1.00  0.87           O  \\nATOM    741  CG  LYS A  47      -2.457 -10.176 -14.941  1.00  0.87           C  \\nATOM    742  HG2 LYS A  47      -1.551 -10.500 -14.429  1.00  0.87           H  \\nATOM    743  HG3 LYS A  47      -3.011  -9.454 -14.341  1.00  0.87           H  \\nATOM    744  CD  LYS A  47      -3.309 -11.421 -15.178  1.00  0.87           C  \\nATOM    745  HD2 LYS A  47      -4.221 -11.147 -15.709  1.00  0.87           H  \\nATOM    746  HD3 LYS A  47      -2.737 -12.126 -15.782  1.00  0.87           H  \\nATOM    747  CE  LYS A  47      -3.661 -12.079 -13.843  1.00  0.87           C  \\nATOM    748  HE2 LYS A  47      -2.747 -12.174 -13.256  1.00  0.87           H  \\nATOM    749  HE3 LYS A  47      -4.352 -11.434 -13.300  1.00  0.87           H  \\nATOM    750  NZ  LYS A  47      -4.251 -13.421 -14.070  1.00  0.87           N  \\nATOM    751  HZ1 LYS A  47      -3.594 -14.004 -14.569  1.00  0.87           H  \\nATOM    752  HZ2 LYS A  47      -5.090 -13.349 -14.628  1.00  0.87           H  \\nATOM    753  HZ3 LYS A  47      -4.475 -13.871 -13.194  1.00  0.87           H  \\nATOM    754  N   GLY A  48      -0.957  -7.506 -18.405  1.00  0.92           N  \\nATOM    755  H   GLY A  48      -1.928  -7.244 -18.309  1.00  0.92           H  \\nATOM    756  CA  GLY A  48      -0.298  -7.278 -19.691  1.00  0.92           C  \\nATOM    757  HA2 GLY A  48      -1.055  -7.050 -20.442  1.00  0.92           H  \\nATOM    758  HA3 GLY A  48       0.213  -8.193 -19.992  1.00  0.92           H  \\nATOM    759  C   GLY A  48       0.731  -6.144 -19.700  1.00  0.92           C  \\nATOM    760  O   GLY A  48       1.319  -5.886 -20.745  1.00  0.92           O  \\nATOM    761  N   HIS A  49       0.952  -5.439 -18.587  1.00  0.88           N  \\nATOM    762  H   HIS A  49       0.379  -5.609 -17.773  1.00  0.88           H  \\nATOM    763  CA  HIS A  49       2.055  -4.476 -18.447  1.00  0.88           C  \\nATOM    764  HA  HIS A  49       2.664  -4.481 -19.350  1.00  0.88           H  \\nATOM    765  C   HIS A  49       3.003  -4.840 -17.301  1.00  0.88           C  \\nATOM    766  CB  HIS A  49       1.526  -3.052 -18.260  1.00  0.88           C  \\nATOM    767  HB2 HIS A  49       0.996  -3.009 -17.309  1.00  0.88           H  \\nATOM    768  HB3 HIS A  49       2.373  -2.370 -18.195  1.00  0.88           H  \\nATOM    769  O   HIS A  49       3.929  -4.086 -17.007  1.00  0.88           O  \\nATOM    770  CG  HIS A  49       0.607  -2.522 -19.330  1.00  0.88           C  \\nATOM    771  CD2 HIS A  49      -0.185  -1.439 -19.141  1.00  0.88           C  \\nATOM    772  HD2 HIS A  49      -0.181  -0.802 -18.269  1.00  0.88           H  \\nATOM    773  ND1 HIS A  49       0.210  -3.091 -20.523  1.00  0.88           N  \\nATOM    774  HD1 HIS A  49       0.596  -3.934 -20.923  1.00  0.88           H  \\nATOM    775  CE1 HIS A  49      -0.892  -2.455 -20.941  1.00  0.88           C  \\nATOM    776  HE1 HIS A  49      -1.484  -2.724 -21.804  1.00  0.88           H  \\nATOM    777  NE2 HIS A  49      -1.175  -1.452 -20.113  1.00  0.88           N  \\nATOM    778  N   PHE A  50       2.795  -5.989 -16.655  1.00  0.84           N  \\nATOM    779  H   PHE A  50       2.048  -6.602 -16.951  1.00  0.84           H  \\nATOM    780  CA  PHE A  50       3.702  -6.482 -15.635  1.00  0.84           C  \\nATOM    781  HA  PHE A  50       4.370  -5.673 -15.340  1.00  0.84           H  \\nATOM    782  C   PHE A  50       4.546  -7.619 -16.205  1.00  0.84           C  \\nATOM    783  CB  PHE A  50       2.922  -6.877 -14.382  1.00  0.84           C  \\nATOM    784  HB2 PHE A  50       2.325  -7.761 -14.602  1.00  0.84           H  \\nATOM    785  HB3 PHE A  50       2.234  -6.067 -14.141  1.00  0.84           H  \\nATOM    786  O   PHE A  50       4.035  -8.690 -16.529  1.00  0.84           O  \\nATOM    787  CG  PHE A  50       3.757  -7.145 -13.139  1.00  0.84           C  \\nATOM    788  CD1 PHE A  50       3.085  -7.541 -11.974  1.00  0.84           C  \\nATOM    789  HD1 PHE A  50       2.010  -7.642 -12.001  1.00  0.84           H  \\nATOM    790  CD2 PHE A  50       5.159  -6.979 -13.090  1.00  0.84           C  \\nATOM    791  HD2 PHE A  50       5.731  -6.628 -13.937  1.00  0.84           H  \\nATOM    792  CE1 PHE A  50       3.788  -7.789 -10.784  1.00  0.84           C  \\nATOM    793  HE1 PHE A  50       3.257  -8.086  -9.892  1.00  0.84           H  \\nATOM    794  CE2 PHE A  50       5.870  -7.248 -11.912  1.00  0.84           C  \\nATOM    795  HE2 PHE A  50       6.944  -7.134 -11.895  1.00  0.84           H  \\nATOM    796  CZ  PHE A  50       5.185  -7.651 -10.756  1.00  0.84           C  \\nATOM    797  HZ  PHE A  50       5.732  -7.846  -9.845  1.00  0.84           H  \\nATOM    798  N   GLY A  51       5.845  -7.359 -16.336  1.00  0.93           N  \\nATOM    799  H   GLY A  51       6.179  -6.444 -16.070  1.00  0.93           H  \\nATOM    800  CA  GLY A  51       6.833  -8.340 -16.753  1.00  0.93           C  \\nATOM    801  HA2 GLY A  51       7.605  -7.849 -17.344  1.00  0.93           H  \\nATOM    802  HA3 GLY A  51       6.343  -9.071 -17.396  1.00  0.93           H  \\nATOM    803  C   GLY A  51       7.513  -9.037 -15.574  1.00  0.93           C  \\nATOM    804  O   GLY A  51       7.961  -8.380 -14.636  1.00  0.93           O  \\nATOM    805  N   ILE A  52       7.675 -10.353 -15.664  1.00  0.88           N  \\nATOM    806  H   ILE A  52       7.247 -10.826 -16.448  1.00  0.88           H  \\nATOM    807  CA  ILE A  52       8.547 -11.158 -14.805  1.00  0.88           C  \\nATOM    808  HA  ILE A  52       9.124 -10.500 -14.154  1.00  0.88           H  \\nATOM    809  C   ILE A  52       9.511 -11.899 -15.729  1.00  0.88           C  \\nATOM    810  CB  ILE A  52       7.728 -12.112 -13.909  1.00  0.88           C  \\nATOM    811  HB  ILE A  52       7.145 -12.774 -14.550  1.00  0.88           H  \\nATOM    812  O   ILE A  52       9.091 -12.643 -16.608  1.00  0.88           O  \\nATOM    813  CG1 ILE A  52       6.753 -11.313 -13.010  1.00  0.88           C  \\nATOM    814 HG12 ILE A  52       7.321 -10.660 -12.346  1.00  0.88           H  \\nATOM    815 HG13 ILE A  52       6.117 -10.684 -13.632  1.00  0.88           H  \\nATOM    816  CG2 ILE A  52       8.683 -12.970 -13.056  1.00  0.88           C  \\nATOM    817 HG21 ILE A  52       9.268 -12.336 -12.389  1.00  0.88           H  \\nATOM    818 HG22 ILE A  52       8.115 -13.687 -12.464  1.00  0.88           H  \\nATOM    819 HG23 ILE A  52       9.352 -13.548 -13.693  1.00  0.88           H  \\nATOM    820  CD1 ILE A  52       5.813 -12.185 -12.169  1.00  0.88           C  \\nATOM    821 HD11 ILE A  52       5.291 -12.894 -12.812  1.00  0.88           H  \\nATOM    822 HD12 ILE A  52       6.370 -12.722 -11.402  1.00  0.88           H  \\nATOM    823 HD13 ILE A  52       5.079 -11.546 -11.677  1.00  0.88           H  \\nATOM    824  N   GLY A  53      10.814 -11.637 -15.592  1.00  0.92           N  \\nATOM    825  H   GLY A  53      11.114 -11.025 -14.847  1.00  0.92           H  \\nATOM    826  CA  GLY A  53      11.822 -12.217 -16.490  1.00  0.92           C  \\nATOM    827  HA2 GLY A  53      11.748 -13.304 -16.456  1.00  0.92           H  \\nATOM    828  HA3 GLY A  53      12.816 -11.927 -16.149  1.00  0.92           H  \\nATOM    829  C   GLY A  53      11.679 -11.784 -17.957  1.00  0.92           C  \\nATOM    830  O   GLY A  53      12.136 -12.491 -18.846  1.00  0.92           O  \\nATOM    831  N   GLY A  54      11.031 -10.642 -18.218  1.00  0.92           N  \\nATOM    832  H   GLY A  54      10.651 -10.126 -17.437  1.00  0.92           H  \\nATOM    833  CA  GLY A  54      10.728 -10.168 -19.574  1.00  0.92           C  \\nATOM    834  HA2 GLY A  54      11.563 -10.405 -20.234  1.00  0.92           H  \\nATOM    835  HA3 GLY A  54      10.603  -9.085 -19.555  1.00  0.92           H  \\nATOM    836  C   GLY A  54       9.463 -10.777 -20.188  1.00  0.92           C  \\nATOM    837  O   GLY A  54       9.058 -10.363 -21.271  1.00  0.92           O  \\nATOM    838  N   GLU A  55       8.802 -11.707 -19.499  1.00  0.89           N  \\nATOM    839  H   GLU A  55       9.169 -12.039 -18.619  1.00  0.89           H  \\nATOM    840  CA  GLU A  55       7.511 -12.246 -19.915  1.00  0.89           C  \\nATOM    841  HA  GLU A  55       7.377 -12.074 -20.983  1.00  0.89           H  \\nATOM    842  C   GLU A  55       6.365 -11.558 -19.192  1.00  0.89           C  \\nATOM    843  CB  GLU A  55       7.437 -13.754 -19.682  1.00  0.89           C  \\nATOM    844  HB2 GLU A  55       7.631 -13.991 -18.636  1.00  0.89           H  \\nATOM    845  HB3 GLU A  55       6.420 -14.065 -19.921  1.00  0.89           H  \\nATOM    846  O   GLU A  55       6.444 -11.268 -18.002  1.00  0.89           O  \\nATOM    847  CG  GLU A  55       8.437 -14.493 -20.579  1.00  0.89           C  \\nATOM    848  HG2 GLU A  55       8.491 -13.991 -21.545  1.00  0.89           H  \\nATOM    849  HG3 GLU A  55       9.425 -14.456 -20.121  1.00  0.89           H  \\nATOM    850  CD  GLU A  55       8.008 -15.939 -20.828  1.00  0.89           C  \\nATOM    851  OE1 GLU A  55       8.872 -16.835 -20.758  1.00  0.89           O  \\nATOM    852  OE2 GLU A  55       6.831 -16.117 -21.237  1.00  0.89           O  \\nATOM    853  N   LEU A  56       5.272 -11.318 -19.908  1.00  0.91           N  \\nATOM    854  H   LEU A  56       5.247 -11.609 -20.874  1.00  0.91           H  \\nATOM    855  CA  LEU A  56       4.063 -10.771 -19.310  1.00  0.91           C  \\nATOM    856  HA  LEU A  56       4.319  -9.865 -18.760  1.00  0.91           H  \\nATOM    857  C   LEU A  56       3.447 -11.764 -18.320  1.00  0.91           C  \\nATOM    858  CB  LEU A  56       3.050 -10.428 -20.411  1.00  0.91           C  \\nATOM    859  HB2 LEU A  56       2.138 -10.070 -19.932  1.00  0.91           H  \\nATOM    860  HB3 LEU A  56       2.804 -11.340 -20.955  1.00  0.91           H  \\nATOM    861  O   LEU A  56       3.260 -12.935 -18.644  1.00  0.91           O  \\nATOM    862  CG  LEU A  56       3.521  -9.360 -21.410  1.00  0.91           C  \\nATOM    863  HG  LEU A  56       4.433  -9.692 -21.906  1.00  0.91           H  \\nATOM    864  CD1 LEU A  56       2.447  -9.171 -22.480  1.00  0.91           C  \\nATOM    865 HD11 LEU A  56       2.785  -8.437 -23.212  1.00  0.91           H  \\nATOM    866 HD12 LEU A  56       2.256 -10.116 -22.989  1.00  0.91           H  \\nATOM    867 HD13 LEU A  56       1.524  -8.816 -22.022  1.00  0.91           H  \\nATOM    868  CD2 LEU A  56       3.790  -8.029 -20.709  1.00  0.91           C  \\nATOM    869 HD21 LEU A  56       2.962  -7.782 -20.044  1.00  0.91           H  \\nATOM    870 HD22 LEU A  56       3.910  -7.234 -21.446  1.00  0.91           H  \\nATOM    871 HD23 LEU A  56       4.706  -8.098 -20.124  1.00  0.91           H  \\nATOM    872  N   ALA A  57       3.003 -11.264 -17.171  1.00  0.90           N  \\nATOM    873  H   ALA A  57       3.225 -10.303 -16.952  1.00  0.90           H  \\nATOM    874  CA  ALA A  57       2.240 -12.029 -16.185  1.00  0.90           C  \\nATOM    875  HA  ALA A  57       2.768 -12.963 -15.989  1.00  0.90           H  \\nATOM    876  C   ALA A  57       0.818 -12.402 -16.662  1.00  0.90           C  \\nATOM    877  CB  ALA A  57       2.201 -11.204 -14.893  1.00  0.90           C  \\nATOM    878  HB1 ALA A  57       1.690 -11.768 -14.113  1.00  0.90           H  \\nATOM    879  HB2 ALA A  57       3.217 -10.987 -14.563  1.00  0.90           H  \\nATOM    880  HB3 ALA A  57       1.672 -10.267 -15.066  1.00  0.90           H  \\nATOM    881  O   ALA A  57       0.071 -13.060 -15.941  1.00  0.90           O  \\nATOM    882  N   SER A  58       0.402 -11.942 -17.848  1.00  0.88           N  \\nATOM    883  H   SER A  58       1.052 -11.396 -18.394  1.00  0.88           H  \\nATOM    884  CA  SER A  58      -0.893 -12.269 -18.463  1.00  0.88           C  \\nATOM    885  HA  SER A  58      -1.660 -12.272 -17.689  1.00  0.88           H  \\nATOM    886  C   SER A  58      -0.955 -13.652 -19.104  1.00  0.88           C  \\nATOM    887  CB  SER A  58      -1.270 -11.201 -19.497  1.00  0.88           C  \\nATOM    888  HB2 SER A  58      -1.351 -10.232 -19.005  1.00  0.88           H  \\nATOM    889  HB3 SER A  58      -2.237 -11.440 -19.941  1.00  0.88           H  \\nATOM    890  O   SER A  58      -2.010 -14.007 -19.623  1.00  0.88           O  \\nATOM    891  OG  SER A  58      -0.291 -11.111 -20.512  1.00  0.88           O  \\nATOM    892  HG  SER A  58      -0.360 -11.900 -21.054  1.00  0.88           H  \\nATOM    893  N   LYS A  59       0.159 -14.382 -19.129  1.00  0.75           N  \\nATOM    894  H   LYS A  59       0.956 -14.065 -18.596  1.00  0.75           H  \\nATOM    895  CA  LYS A  59       0.250 -15.719 -19.710  1.00  0.75           C  \\nATOM    896  HA  LYS A  59      -0.418 -15.798 -20.568  1.00  0.75           H  \\nATOM    897  C   LYS A  59      -0.228 -16.806 -18.756  1.00  0.75           C  \\nATOM    898  CB  LYS A  59       1.682 -15.982 -20.164  1.00  0.75           C  \\nATOM    899  HB2 LYS A  59       1.751 -17.034 -20.440  1.00  0.75           H  \\nATOM    900  HB3 LYS A  59       2.364 -15.806 -19.331  1.00  0.75           H  \\nATOM    901  O   LYS A  59       0.005 -16.666 -17.535  1.00  0.75           O  \\nATOM    902  CG  LYS A  59       2.085 -15.118 -21.367  1.00  0.75           C  \\nATOM    903  HG2 LYS A  59       1.366 -15.253 -22.176  1.00  0.75           H  \\nATOM    904  HG3 LYS A  59       2.134 -14.067 -21.086  1.00  0.75           H  \\nATOM    905  CD  LYS A  59       3.460 -15.608 -21.812  1.00  0.75           C  \\nATOM    906  HD2 LYS A  59       3.404 -16.682 -21.990  1.00  0.75           H  \\nATOM    907  HD3 LYS A  59       4.169 -15.439 -21.001  1.00  0.75           H  \\nATOM    908  CE  LYS A  59       3.978 -14.934 -23.078  1.00  0.75           C  \\nATOM    909  HE2 LYS A  59       4.146 -13.879 -22.863  1.00  0.75           H  \\nATOM    910  HE3 LYS A  59       3.239 -15.031 -23.873  1.00  0.75           H  \\nATOM    911  NZ  LYS A  59       5.248 -15.601 -23.450  1.00  0.75           N  \\nATOM    912  HZ1 LYS A  59       5.839 -15.674 -22.634  1.00  0.75           H  \\nATOM    913  HZ2 LYS A  59       5.766 -15.109 -24.164  1.00  0.75           H  \\nATOM    914  HZ3 LYS A  59       5.099 -16.565 -23.710  1.00  0.75           H  \\nATOM    915  OXT LYS A  59      -0.811 -17.759 -19.307  1.00  0.75           O  \\n\",\"pdb\");\n\tviewer_17298687244347858.setStyle({\"cartoon\": {\"colorscheme\": {\"prop\": \"b\", \"gradient\": \"roygb\", \"min\": 0.5, \"max\": 0.9}}});\n\tviewer_17298687244347858.addStyle({\"atom\": [\"C\", \"O\", \"N\", \"CA\"]},{\"stick\": {\"colorscheme\": \"WhiteCarbon\", \"radius\": 0.3}});\n\tviewer_17298687244347858.zoomTo();\nviewer_17298687244347858.render();\n});\n</script>",
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              "viewer_17298687244347858.zoomTo();\n",
              "\tviewer_17298687244347858.addModel(\"ATOM      1  N   PRO A   1       2.823   8.981   7.529  1.00  0.94           N  \\nATOM      2  H2  PRO A   1       3.037   9.967   7.579  1.00  0.94           H  \\nATOM      3  H3  PRO A   1       1.827   8.887   7.392  1.00  0.94           H  \\nATOM      4  CA  PRO A   1       3.560   8.319   6.420  1.00  0.94           C  \\nATOM      5  HA  PRO A   1       4.354   8.982   6.076  1.00  0.94           H  \\nATOM      6  C   PRO A   1       2.631   8.012   5.244  1.00  0.94           C  \\nATOM      7  CB  PRO A   1       4.202   7.048   6.994  1.00  0.94           C  \\nATOM      8  HB2 PRO A   1       5.125   6.783   6.477  1.00  0.94           H  \\nATOM      9  HB3 PRO A   1       3.496   6.219   6.951  1.00  0.94           H  \\nATOM     10  O   PRO A   1       1.434   7.876   5.464  1.00  0.94           O  \\nATOM     11  CG  PRO A   1       4.453   7.432   8.452  1.00  0.94           C  \\nATOM     12  HG2 PRO A   1       5.361   8.029   8.541  1.00  0.94           H  \\nATOM     13  HG3 PRO A   1       4.516   6.559   9.101  1.00  0.94           H  \\nATOM     14  CD  PRO A   1       3.225   8.285   8.771  1.00  0.94           C  \\nATOM     15  HD2 PRO A   1       3.431   8.984   9.581  1.00  0.94           H  \\nATOM     16  HD3 PRO A   1       2.414   7.630   9.089  1.00  0.94           H  \\nATOM     17  N   ILE A   2       3.149   7.900   4.022  1.00  0.96           N  \\nATOM     18  H   ILE A   2       4.147   7.964   3.876  1.00  0.96           H  \\nATOM     19  CA  ILE A   2       2.350   7.495   2.856  1.00  0.96           C  \\nATOM     20  HA  ILE A   2       1.355   7.194   3.185  1.00  0.96           H  \\nATOM     21  C   ILE A   2       3.019   6.281   2.224  1.00  0.96           C  \\nATOM     22  CB  ILE A   2       2.159   8.646   1.841  1.00  0.96           C  \\nATOM     23  HB  ILE A   2       3.136   8.930   1.450  1.00  0.96           H  \\nATOM     24  O   ILE A   2       4.207   6.330   1.921  1.00  0.96           O  \\nATOM     25  CG1 ILE A   2       1.539   9.884   2.536  1.00  0.96           C  \\nATOM     26 HG12 ILE A   2       0.600   9.608   3.017  1.00  0.96           H  \\nATOM     27 HG13 ILE A   2       2.220  10.230   3.314  1.00  0.96           H  \\nATOM     28  CG2 ILE A   2       1.290   8.165   0.660  1.00  0.96           C  \\nATOM     29 HG21 ILE A   2       1.189   8.952  -0.087  1.00  0.96           H  \\nATOM     30 HG22 ILE A   2       0.301   7.868   1.010  1.00  0.96           H  \\nATOM     31 HG23 ILE A   2       1.756   7.317   0.159  1.00  0.96           H  \\nATOM     32  CD1 ILE A   2       1.284  11.081   1.613  1.00  0.96           C  \\nATOM     33 HD11 ILE A   2       0.993  11.942   2.214  1.00  0.96           H  \\nATOM     34 HD12 ILE A   2       0.477  10.860   0.915  1.00  0.96           H  \\nATOM     35 HD13 ILE A   2       2.192  11.324   1.060  1.00  0.96           H  \\nATOM     36  N   ALA A   3       2.261   5.209   2.033  1.00  0.97           N  \\nATOM     37  H   ALA A   3       1.291   5.248   2.315  1.00  0.97           H  \\nATOM     38  CA  ALA A   3       2.683   4.037   1.287  1.00  0.97           C  \\nATOM     39  HA  ALA A   3       3.742   4.116   1.044  1.00  0.97           H  \\nATOM     40  C   ALA A   3       1.900   3.964  -0.022  1.00  0.97           C  \\nATOM     41  CB  ALA A   3       2.497   2.789   2.150  1.00  0.97           C  \\nATOM     42  HB1 ALA A   3       3.099   2.879   3.054  1.00  0.97           H  \\nATOM     43  HB2 ALA A   3       1.447   2.674   2.420  1.00  0.97           H  \\nATOM     44  HB3 ALA A   3       2.819   1.906   1.597  1.00  0.97           H  \\nATOM     45  O   ALA A   3       0.686   4.159  -0.050  1.00  0.97           O  \\nATOM     46  N   GLN A   4       2.601   3.669  -1.105  1.00  0.92           N  \\nATOM     47  H   GLN A   4       3.591   3.491  -1.018  1.00  0.92           H  \\nATOM     48  CA  GLN A   4       2.003   3.406  -2.404  1.00  0.92           C  \\nATOM     49  HA  GLN A   4       0.922   3.546  -2.366  1.00  0.92           H  \\nATOM     50  C   GLN A   4       2.298   1.956  -2.734  1.00  0.92           C  \\nATOM     51  CB  GLN A   4       2.569   4.358  -3.458  1.00  0.92           C  \\nATOM     52  HB2 GLN A   4       3.649   4.224  -3.520  1.00  0.92           H  \\nATOM     53  HB3 GLN A   4       2.135   4.116  -4.428  1.00  0.92           H  \\nATOM     54  O   GLN A   4       3.455   1.540  -2.722  1.00  0.92           O  \\nATOM     55  CG  GLN A   4       2.263   5.823  -3.122  1.00  0.92           C  \\nATOM     56  HG2 GLN A   4       2.645   6.077  -2.133  1.00  0.92           H  \\nATOM     57  HG3 GLN A   4       1.185   5.983  -3.130  1.00  0.92           H  \\nATOM     58  CD  GLN A   4       2.926   6.754  -4.120  1.00  0.92           C  \\nATOM     59  NE2 GLN A   4       2.185   7.346  -5.030  1.00  0.92           N  \\nATOM     60 HE21 GLN A   4       1.199   7.142  -5.114  1.00  0.92           H  \\nATOM     61 HE22 GLN A   4       2.690   7.911  -5.698  1.00  0.92           H  \\nATOM     62  OE1 GLN A   4       4.123   6.964  -4.102  1.00  0.92           O  \\nATOM     63  N   ILE A   5       1.253   1.181  -2.978  1.00  0.94           N  \\nATOM     64  H   ILE A   5       0.329   1.588  -2.976  1.00  0.94           H  \\nATOM     65  CA  ILE A   5       1.378  -0.238  -3.272  1.00  0.94           C  \\nATOM     66  HA  ILE A   5       2.426  -0.529  -3.202  1.00  0.94           H  \\nATOM     67  C   ILE A   5       0.928  -0.448  -4.699  1.00  0.94           C  \\nATOM     68  CB  ILE A   5       0.600  -1.120  -2.282  1.00  0.94           C  \\nATOM     69  HB  ILE A   5      -0.467  -1.006  -2.474  1.00  0.94           H  \\nATOM     70  O   ILE A   5      -0.125   0.027  -5.118  1.00  0.94           O  \\nATOM     71  CG1 ILE A   5       0.888  -0.715  -0.819  1.00  0.94           C  \\nATOM     72 HG12 ILE A   5       0.608   0.327  -0.669  1.00  0.94           H  \\nATOM     73 HG13 ILE A   5       1.952  -0.818  -0.606  1.00  0.94           H  \\nATOM     74  CG2 ILE A   5       1.001  -2.589  -2.514  1.00  0.94           C  \\nATOM     75 HG21 ILE A   5       0.932  -2.861  -3.567  1.00  0.94           H  \\nATOM     76 HG22 ILE A   5       2.027  -2.754  -2.184  1.00  0.94           H  \\nATOM     77 HG23 ILE A   5       0.340  -3.253  -1.958  1.00  0.94           H  \\nATOM     78  CD1 ILE A   5       0.087  -1.533   0.197  1.00  0.94           C  \\nATOM     79 HD11 ILE A   5       0.460  -2.556   0.245  1.00  0.94           H  \\nATOM     80 HD12 ILE A   5      -0.968  -1.540  -0.078  1.00  0.94           H  \\nATOM     81 HD13 ILE A   5       0.184  -1.076   1.182  1.00  0.94           H  \\nATOM     82  N   HIS A   6       1.755  -1.153  -5.446  1.00  0.91           N  \\nATOM     83  H   HIS A   6       2.602  -1.516  -5.033  1.00  0.91           H  \\nATOM     84  CA  HIS A   6       1.497  -1.495  -6.826  1.00  0.91           C  \\nATOM     85  HA  HIS A   6       0.645  -0.935  -7.213  1.00  0.91           H  \\nATOM     86  C   HIS A   6       1.183  -2.981  -6.882  1.00  0.91           C  \\nATOM     87  CB  HIS A   6       2.722  -1.105  -7.643  1.00  0.91           C  \\nATOM     88  HB2 HIS A   6       3.588  -1.660  -7.282  1.00  0.91           H  \\nATOM     89  HB3 HIS A   6       2.550  -1.387  -8.681  1.00  0.91           H  \\nATOM     90  O   HIS A   6       1.991  -3.801  -6.443  1.00  0.91           O  \\nATOM     91  CG  HIS A   6       3.042   0.370  -7.605  1.00  0.91           C  \\nATOM     92  CD2 HIS A   6       4.073   0.948  -8.274  1.00  0.91           C  \\nATOM     93  HD2 HIS A   6       4.832   0.425  -8.836  1.00  0.91           H  \\nATOM     94  ND1 HIS A   6       2.258   1.405  -7.138  1.00  0.91           N  \\nATOM     95  HD1 HIS A   6       1.375   1.299  -6.659  1.00  0.91           H  \\nATOM     96  CE1 HIS A   6       2.718   2.556  -7.630  1.00  0.91           C  \\nATOM     97  HE1 HIS A   6       2.252   3.523  -7.510  1.00  0.91           H  \\nATOM     98  NE2 HIS A   6       3.817   2.317  -8.339  1.00  0.91           N  \\nATOM     99  N   ILE A   7      -0.005  -3.327  -7.361  1.00  0.93           N  \\nATOM    100  H   ILE A   7      -0.612  -2.610  -7.733  1.00  0.93           H  \\nATOM    101  CA  ILE A   7      -0.475  -4.711  -7.386  1.00  0.93           C  \\nATOM    102  HA  ILE A   7       0.379  -5.379  -7.269  1.00  0.93           H  \\nATOM    103  C   ILE A   7      -1.094  -5.039  -8.727  1.00  0.93           C  \\nATOM    104  CB  ILE A   7      -1.468  -5.017  -6.243  1.00  0.93           C  \\nATOM    105  HB  ILE A   7      -1.729  -6.073  -6.313  1.00  0.93           H  \\nATOM    106  O   ILE A   7      -1.536  -4.162  -9.455  1.00  0.93           O  \\nATOM    107  CG1 ILE A   7      -2.776  -4.201  -6.357  1.00  0.93           C  \\nATOM    108 HG12 ILE A   7      -3.224  -4.371  -7.335  1.00  0.93           H  \\nATOM    109 HG13 ILE A   7      -2.557  -3.137  -6.271  1.00  0.93           H  \\nATOM    110  CG2 ILE A   7      -0.793  -4.811  -4.879  1.00  0.93           C  \\nATOM    111 HG21 ILE A   7      -1.380  -5.287  -4.093  1.00  0.93           H  \\nATOM    112 HG22 ILE A   7      -0.728  -3.743  -4.672  1.00  0.93           H  \\nATOM    113 HG23 ILE A   7       0.206  -5.247  -4.879  1.00  0.93           H  \\nATOM    114  CD1 ILE A   7      -3.827  -4.586  -5.309  1.00  0.93           C  \\nATOM    115 HD11 ILE A   7      -4.760  -4.068  -5.532  1.00  0.93           H  \\nATOM    116 HD12 ILE A   7      -3.497  -4.295  -4.312  1.00  0.93           H  \\nATOM    117 HD13 ILE A   7      -4.008  -5.660  -5.340  1.00  0.93           H  \\nATOM    118  N   LEU A   8      -1.182  -6.328  -9.016  1.00  0.87           N  \\nATOM    119  H   LEU A   8      -0.836  -6.997  -8.344  1.00  0.87           H  \\nATOM    120  CA  LEU A   8      -2.040  -6.808 -10.085  1.00  0.87           C  \\nATOM    121  HA  LEU A   8      -1.802  -6.274 -11.005  1.00  0.87           H  \\nATOM    122  C   LEU A   8      -3.507  -6.540  -9.747  1.00  0.87           C  \\nATOM    123  CB  LEU A   8      -1.768  -8.299 -10.284  1.00  0.87           C  \\nATOM    124  HB2 LEU A   8      -2.583  -8.744 -10.853  1.00  0.87           H  \\nATOM    125  HB3 LEU A   8      -1.748  -8.787  -9.309  1.00  0.87           H  \\nATOM    126  O   LEU A   8      -3.936  -6.764  -8.613  1.00  0.87           O  \\nATOM    127  CG  LEU A   8      -0.431  -8.498 -11.016  1.00  0.87           C  \\nATOM    128  HG  LEU A   8       0.206  -7.625 -10.876  1.00  0.87           H  \\nATOM    129  CD1 LEU A   8       0.315  -9.720 -10.486  1.00  0.87           C  \\nATOM    130 HD11 LEU A   8       1.241  -9.860 -11.044  1.00  0.87           H  \\nATOM    131 HD12 LEU A   8       0.563  -9.568  -9.436  1.00  0.87           H  \\nATOM    132 HD13 LEU A   8      -0.303 -10.613 -10.588  1.00  0.87           H  \\nATOM    133  CD2 LEU A   8      -0.694  -8.705 -12.497  1.00  0.87           C  \\nATOM    134 HD21 LEU A   8       0.242  -8.871 -13.030  1.00  0.87           H  \\nATOM    135 HD22 LEU A   8      -1.337  -9.581 -12.585  1.00  0.87           H  \\nATOM    136 HD23 LEU A   8      -1.196  -7.828 -12.906  1.00  0.87           H  \\nATOM    137  N   GLU A   9      -4.258  -6.094 -10.746  1.00  0.87           N  \\nATOM    138  H   GLU A   9      -3.816  -5.879 -11.628  1.00  0.87           H  \\nATOM    139  CA  GLU A   9      -5.704  -5.904 -10.647  1.00  0.87           C  \\nATOM    140  HA  GLU A   9      -5.903  -5.231  -9.813  1.00  0.87           H  \\nATOM    141  C   GLU A   9      -6.472  -7.212 -10.373  1.00  0.87           C  \\nATOM    142  CB  GLU A   9      -6.219  -5.219 -11.925  1.00  0.87           C  \\nATOM    143  HB2 GLU A   9      -5.599  -4.347 -12.132  1.00  0.87           H  \\nATOM    144  HB3 GLU A   9      -7.240  -4.881 -11.748  1.00  0.87           H  \\nATOM    145  O   GLU A   9      -5.950  -8.326 -10.507  1.00  0.87           O  \\nATOM    146  CG  GLU A   9      -6.201  -6.142 -13.156  1.00  0.87           C  \\nATOM    147  HG2 GLU A   9      -6.863  -6.990 -12.983  1.00  0.87           H  \\nATOM    148  HG3 GLU A   9      -5.191  -6.529 -13.289  1.00  0.87           H  \\nATOM    149  CD  GLU A   9      -6.639  -5.444 -14.448  1.00  0.87           C  \\nATOM    150  OE1 GLU A   9      -6.324  -6.023 -15.515  1.00  0.87           O  \\nATOM    151  OE2 GLU A   9      -7.246  -4.356 -14.376  1.00  0.87           O  \\nATOM    152  N   GLY A  10      -7.754  -7.067 -10.030  1.00  0.93           N  \\nATOM    153  H   GLY A  10      -8.120  -6.129  -9.956  1.00  0.93           H  \\nATOM    154  CA  GLY A  10      -8.697  -8.183  -9.894  1.00  0.93           C  \\nATOM    155  HA2 GLY A  10      -9.689  -7.831 -10.178  1.00  0.93           H  \\nATOM    156  HA3 GLY A  10      -8.414  -8.986 -10.575  1.00  0.93           H  \\nATOM    157  C   GLY A  10      -8.800  -8.766  -8.486  1.00  0.93           C  \\nATOM    158  O   GLY A  10      -9.551  -9.715  -8.264  1.00  0.93           O  \\nATOM    159  N   ARG A  11      -8.075  -8.206  -7.513  1.00  0.85           N  \\nATOM    160  H   ARG A  11      -7.517  -7.402  -7.762  1.00  0.85           H  \\nATOM    161  CA  ARG A  11      -8.338  -8.466  -6.094  1.00  0.85           C  \\nATOM    162  HA  ARG A  11      -8.448  -9.542  -5.954  1.00  0.85           H  \\nATOM    163  C   ARG A  11      -9.677  -7.856  -5.694  1.00  0.85           C  \\nATOM    164  CB  ARG A  11      -7.188  -7.918  -5.233  1.00  0.85           C  \\nATOM    165  HB2 ARG A  11      -6.994  -6.885  -5.519  1.00  0.85           H  \\nATOM    166  HB3 ARG A  11      -7.485  -7.920  -4.184  1.00  0.85           H  \\nATOM    167  O   ARG A  11     -10.064  -6.807  -6.205  1.00  0.85           O  \\nATOM    168  CG  ARG A  11      -5.894  -8.735  -5.391  1.00  0.85           C  \\nATOM    169  HG2 ARG A  11      -5.671  -8.888  -6.446  1.00  0.85           H  \\nATOM    170  HG3 ARG A  11      -5.070  -8.186  -4.935  1.00  0.85           H  \\nATOM    171  CD  ARG A  11      -6.051 -10.079  -4.680  1.00  0.85           C  \\nATOM    172  HD2 ARG A  11      -6.160  -9.861  -3.617  1.00  0.85           H  \\nATOM    173  HD3 ARG A  11      -6.950 -10.579  -5.040  1.00  0.85           H  \\nATOM    174  NE  ARG A  11      -4.916 -10.994  -4.863  1.00  0.85           N  \\nATOM    175  HE  ARG A  11      -4.196 -10.710  -5.512  1.00  0.85           H  \\nATOM    176  NH1 ARG A  11      -5.719 -12.584  -3.417  1.00  0.85           N  \\nATOM    177 HH11 ARG A  11      -6.528 -11.998  -3.268  1.00  0.85           H  \\nATOM    178 HH12 ARG A  11      -5.625 -13.454  -2.913  1.00  0.85           H  \\nATOM    179  NH2 ARG A  11      -3.764 -12.916  -4.448  1.00  0.85           N  \\nATOM    180 HH21 ARG A  11      -3.687 -13.802  -3.969  1.00  0.85           H  \\nATOM    181 HH22 ARG A  11      -3.038 -12.612  -5.081  1.00  0.85           H  \\nATOM    182  CZ  ARG A  11      -4.804 -12.157  -4.245  1.00  0.85           C  \\nATOM    183  N   SER A  12     -10.363  -8.514  -4.766  1.00  0.95           N  \\nATOM    184  H   SER A  12      -9.965  -9.335  -4.332  1.00  0.95           H  \\nATOM    185  CA  SER A  12     -11.616  -7.988  -4.235  1.00  0.95           C  \\nATOM    186  HA  SER A  12     -12.234  -7.681  -5.079  1.00  0.95           H  \\nATOM    187  C   SER A  12     -11.365  -6.746  -3.376  1.00  0.95           C  \\nATOM    188  CB  SER A  12     -12.382  -9.080  -3.489  1.00  0.95           C  \\nATOM    189  HB2 SER A  12     -12.269 -10.026  -4.019  1.00  0.95           H  \\nATOM    190  HB3 SER A  12     -13.440  -8.821  -3.490  1.00  0.95           H  \\nATOM    191  O   SER A  12     -10.246  -6.520  -2.896  1.00  0.95           O  \\nATOM    192  OG  SER A  12     -11.945  -9.227  -2.152  1.00  0.95           O  \\nATOM    193  HG  SER A  12     -12.704  -8.927  -1.648  1.00  0.95           H  \\nATOM    194  N   ASP A  13     -12.401  -5.938  -3.171  1.00  0.94           N  \\nATOM    195  H   ASP A  13     -13.312  -6.179  -3.534  1.00  0.94           H  \\nATOM    196  CA  ASP A  13     -12.289  -4.724  -2.364  1.00  0.94           C  \\nATOM    197  HA  ASP A  13     -11.439  -4.141  -2.716  1.00  0.94           H  \\nATOM    198  C   ASP A  13     -11.985  -5.050  -0.898  1.00  0.94           C  \\nATOM    199  CB  ASP A  13     -13.546  -3.859  -2.537  1.00  0.94           C  \\nATOM    200  HB2 ASP A  13     -14.432  -4.467  -2.354  1.00  0.94           H  \\nATOM    201  HB3 ASP A  13     -13.522  -3.064  -1.792  1.00  0.94           H  \\nATOM    202  O   ASP A  13     -11.166  -4.372  -0.285  1.00  0.94           O  \\nATOM    203  CG  ASP A  13     -13.638  -3.203  -3.924  1.00  0.94           C  \\nATOM    204  OD1 ASP A  13     -14.752  -2.767  -4.276  1.00  0.94           O  \\nATOM    205  OD2 ASP A  13     -12.595  -3.120  -4.630  1.00  0.94           O  \\nATOM    206  N   GLU A  14     -12.502  -6.162  -0.370  1.00  0.89           N  \\nATOM    207  H   GLU A  14     -13.154  -6.696  -0.927  1.00  0.89           H  \\nATOM    208  CA  GLU A  14     -12.235  -6.622   0.999  1.00  0.89           C  \\nATOM    209  HA  GLU A  14     -12.467  -5.812   1.691  1.00  0.89           H  \\nATOM    210  C   GLU A  14     -10.762  -7.012   1.192  1.00  0.89           C  \\nATOM    211  CB  GLU A  14     -13.110  -7.840   1.361  1.00  0.89           C  \\nATOM    212  HB2 GLU A  14     -12.975  -8.022   2.428  1.00  0.89           H  \\nATOM    213  HB3 GLU A  14     -12.746  -8.730   0.847  1.00  0.89           H  \\nATOM    214  O   GLU A  14     -10.153  -6.731   2.229  1.00  0.89           O  \\nATOM    215  CG  GLU A  14     -14.621  -7.681   1.110  1.00  0.89           C  \\nATOM    216  HG2 GLU A  14     -14.933  -6.689   1.436  1.00  0.89           H  \\nATOM    217  HG3 GLU A  14     -15.136  -8.411   1.735  1.00  0.89           H  \\nATOM    218  CD  GLU A  14     -15.047  -7.918  -0.349  1.00  0.89           C  \\nATOM    219  OE1 GLU A  14     -16.262  -7.841  -0.620  1.00  0.89           O  \\nATOM    220  OE2 GLU A  14     -14.159  -8.206  -1.192  1.00  0.89           O  \\nATOM    221  N   GLN A  15     -10.150  -7.645   0.185  1.00  0.92           N  \\nATOM    222  H   GLN A  15     -10.682  -7.824  -0.655  1.00  0.92           H  \\nATOM    223  CA  GLN A  15      -8.721  -7.971   0.219  1.00  0.92           C  \\nATOM    224  HA  GLN A  15      -8.496  -8.471   1.162  1.00  0.92           H  \\nATOM    225  C   GLN A  15      -7.864  -6.701   0.174  1.00  0.92           C  \\nATOM    226  CB  GLN A  15      -8.366  -8.919  -0.938  1.00  0.92           C  \\nATOM    227  HB2 GLN A  15      -8.754  -8.516  -1.874  1.00  0.92           H  \\nATOM    228  HB3 GLN A  15      -7.282  -8.995  -1.017  1.00  0.92           H  \\nATOM    229  O   GLN A  15      -6.848  -6.622   0.868  1.00  0.92           O  \\nATOM    230  CG  GLN A  15      -8.940 -10.324  -0.701  1.00  0.92           C  \\nATOM    231  HG2 GLN A  15      -8.513 -10.732   0.215  1.00  0.92           H  \\nATOM    232  HG3 GLN A  15     -10.020 -10.256  -0.565  1.00  0.92           H  \\nATOM    233  CD  GLN A  15      -8.674 -11.302  -1.839  1.00  0.92           C  \\nATOM    234  NE2 GLN A  15      -9.038 -12.554  -1.684  1.00  0.92           N  \\nATOM    235 HE21 GLN A  15      -9.034 -13.135  -2.510  1.00  0.92           H  \\nATOM    236 HE22 GLN A  15      -9.591 -12.797  -0.875  1.00  0.92           H  \\nATOM    237  OE1 GLN A  15      -8.105 -11.009  -2.878  1.00  0.92           O  \\nATOM    238  N   LYS A  16      -8.280  -5.697  -0.606  1.00  0.94           N  \\nATOM    239  H   LYS A  16      -9.141  -5.824  -1.119  1.00  0.94           H  \\nATOM    240  CA  LYS A  16      -7.612  -4.390  -0.677  1.00  0.94           C  \\nATOM    241  HA  LYS A  16      -6.542  -4.543  -0.813  1.00  0.94           H  \\nATOM    242  C   LYS A  16      -7.755  -3.605   0.627  1.00  0.94           C  \\nATOM    243  CB  LYS A  16      -8.156  -3.607  -1.882  1.00  0.94           C  \\nATOM    244  HB2 LYS A  16      -9.245  -3.643  -1.881  1.00  0.94           H  \\nATOM    245  HB3 LYS A  16      -7.856  -2.562  -1.798  1.00  0.94           H  \\nATOM    246  O   LYS A  16      -6.764  -3.064   1.108  1.00  0.94           O  \\nATOM    247  CG  LYS A  16      -7.607  -4.180  -3.198  1.00  0.94           C  \\nATOM    248  HG2 LYS A  16      -7.877  -5.232  -3.285  1.00  0.94           H  \\nATOM    249  HG3 LYS A  16      -6.519  -4.117  -3.181  1.00  0.94           H  \\nATOM    250  CD  LYS A  16      -8.110  -3.440  -4.443  1.00  0.94           C  \\nATOM    251  HD2 LYS A  16      -7.565  -3.839  -5.298  1.00  0.94           H  \\nATOM    252  HD3 LYS A  16      -7.897  -2.374  -4.358  1.00  0.94           H  \\nATOM    253  CE  LYS A  16      -9.610  -3.663  -4.661  1.00  0.94           C  \\nATOM    254  HE2 LYS A  16     -10.166  -3.196  -3.848  1.00  0.94           H  \\nATOM    255  HE3 LYS A  16      -9.818  -4.733  -4.633  1.00  0.94           H  \\nATOM    256  NZ  LYS A  16     -10.094  -3.112  -5.946  1.00  0.94           N  \\nATOM    257  HZ1 LYS A  16     -11.095  -3.241  -5.970  1.00  0.94           H  \\nATOM    258  HZ2 LYS A  16      -9.641  -3.563  -6.728  1.00  0.94           H  \\nATOM    259  HZ3 LYS A  16      -9.918  -2.120  -6.020  1.00  0.94           H  \\nATOM    260  N   GLU A  17      -8.936  -3.601   1.237  1.00  0.91           N  \\nATOM    261  H   GLU A  17      -9.725  -4.014   0.761  1.00  0.91           H  \\nATOM    262  CA  GLU A  17      -9.180  -2.993   2.548  1.00  0.91           C  \\nATOM    263  HA  GLU A  17      -8.910  -1.938   2.511  1.00  0.91           H  \\nATOM    264  C   GLU A  17      -8.328  -3.655   3.638  1.00  0.91           C  \\nATOM    265  CB  GLU A  17     -10.676  -3.095   2.873  1.00  0.91           C  \\nATOM    266  HB2 GLU A  17     -10.964  -4.145   2.927  1.00  0.91           H  \\nATOM    267  HB3 GLU A  17     -11.238  -2.616   2.072  1.00  0.91           H  \\nATOM    268  O   GLU A  17      -7.653  -2.967   4.405  1.00  0.91           O  \\nATOM    269  CG  GLU A  17     -11.012  -2.402   4.202  1.00  0.91           C  \\nATOM    270  HG2 GLU A  17     -10.681  -1.365   4.145  1.00  0.91           H  \\nATOM    271  HG3 GLU A  17     -10.460  -2.887   5.008  1.00  0.91           H  \\nATOM    272  CD  GLU A  17     -12.506  -2.436   4.553  1.00  0.91           C  \\nATOM    273  OE1 GLU A  17     -12.840  -1.868   5.617  1.00  0.91           O  \\nATOM    274  OE2 GLU A  17     -13.291  -3.031   3.783  1.00  0.91           O  \\nATOM    275  N   THR A  18      -8.276  -4.991   3.652  1.00  0.96           N  \\nATOM    276  H   THR A  18      -8.886  -5.493   3.022  1.00  0.96           H  \\nATOM    277  CA  THR A  18      -7.428  -5.746   4.587  1.00  0.96           C  \\nATOM    278  HA  THR A  18      -7.716  -5.484   5.606  1.00  0.96           H  \\nATOM    279  C   THR A  18      -5.957  -5.378   4.409  1.00  0.96           C  \\nATOM    280  CB  THR A  18      -7.606  -7.260   4.409  1.00  0.96           C  \\nATOM    281  HB  THR A  18      -7.304  -7.548   3.402  1.00  0.96           H  \\nATOM    282  O   THR A  18      -5.275  -5.087   5.388  1.00  0.96           O  \\nATOM    283  CG2 THR A  18      -6.789  -8.061   5.424  1.00  0.96           C  \\nATOM    284 HG21 THR A  18      -5.723  -7.947   5.230  1.00  0.96           H  \\nATOM    285 HG22 THR A  18      -7.048  -9.117   5.347  1.00  0.96           H  \\nATOM    286 HG23 THR A  18      -7.009  -7.712   6.433  1.00  0.96           H  \\nATOM    287  OG1 THR A  18      -8.953  -7.627   4.598  1.00  0.96           O  \\nATOM    288  HG1 THR A  18      -9.467  -7.268   3.871  1.00  0.96           H  \\nATOM    289  N   LEU A  19      -5.465  -5.324   3.167  1.00  0.96           N  \\nATOM    290  H   LEU A  19      -6.070  -5.564   2.395  1.00  0.96           H  \\nATOM    291  CA  LEU A  19      -4.091  -4.913   2.880  1.00  0.96           C  \\nATOM    292  HA  LEU A  19      -3.419  -5.588   3.410  1.00  0.96           H  \\nATOM    293  C   LEU A  19      -3.806  -3.491   3.381  1.00  0.96           C  \\nATOM    294  CB  LEU A  19      -3.846  -5.032   1.366  1.00  0.96           C  \\nATOM    295  HB2 LEU A  19      -4.558  -4.391   0.847  1.00  0.96           H  \\nATOM    296  HB3 LEU A  19      -4.038  -6.060   1.057  1.00  0.96           H  \\nATOM    297  O   LEU A  19      -2.779  -3.267   4.018  1.00  0.96           O  \\nATOM    298  CG  LEU A  19      -2.426  -4.632   0.924  1.00  0.96           C  \\nATOM    299  HG  LEU A  19      -2.199  -3.620   1.259  1.00  0.96           H  \\nATOM    300  CD1 LEU A  19      -1.365  -5.589   1.471  1.00  0.96           C  \\nATOM    301 HD11 LEU A  19      -1.356  -5.553   2.560  1.00  0.96           H  \\nATOM    302 HD12 LEU A  19      -0.381  -5.289   1.112  1.00  0.96           H  \\nATOM    303 HD13 LEU A  19      -1.577  -6.608   1.147  1.00  0.96           H  \\nATOM    304  CD2 LEU A  19      -2.352  -4.649  -0.602  1.00  0.96           C  \\nATOM    305 HD21 LEU A  19      -3.057  -3.924  -1.010  1.00  0.96           H  \\nATOM    306 HD22 LEU A  19      -2.600  -5.641  -0.978  1.00  0.96           H  \\nATOM    307 HD23 LEU A  19      -1.346  -4.380  -0.923  1.00  0.96           H  \\nATOM    308  N   ILE A  20      -4.712  -2.543   3.120  1.00  0.97           N  \\nATOM    309  H   ILE A  20      -5.537  -2.803   2.598  1.00  0.97           H  \\nATOM    310  CA  ILE A  20      -4.598  -1.162   3.604  1.00  0.97           C  \\nATOM    311  HA  ILE A  20      -3.673  -0.732   3.218  1.00  0.97           H  \\nATOM    312  C   ILE A  20      -4.487  -1.142   5.126  1.00  0.97           C  \\nATOM    313  CB  ILE A  20      -5.785  -0.305   3.104  1.00  0.97           C  \\nATOM    314  HB  ILE A  20      -6.706  -0.875   3.228  1.00  0.97           H  \\nATOM    315  O   ILE A  20      -3.598  -0.465   5.649  1.00  0.97           O  \\nATOM    316  CG1 ILE A  20      -5.594  -0.002   1.603  1.00  0.97           C  \\nATOM    317 HG12 ILE A  20      -5.289  -0.918   1.095  1.00  0.97           H  \\nATOM    318 HG13 ILE A  20      -4.793   0.726   1.473  1.00  0.97           H  \\nATOM    319  CG2 ILE A  20      -5.932   1.005   3.906  1.00  0.97           C  \\nATOM    320 HG21 ILE A  20      -4.992   1.557   3.920  1.00  0.97           H  \\nATOM    321 HG22 ILE A  20      -6.231   0.788   4.931  1.00  0.97           H  \\nATOM    322 HG23 ILE A  20      -6.714   1.633   3.478  1.00  0.97           H  \\nATOM    323  CD1 ILE A  20      -6.854   0.516   0.900  1.00  0.97           C  \\nATOM    324 HD11 ILE A  20      -6.630   0.690  -0.153  1.00  0.97           H  \\nATOM    325 HD12 ILE A  20      -7.190   1.455   1.339  1.00  0.97           H  \\nATOM    326 HD13 ILE A  20      -7.649  -0.226   0.973  1.00  0.97           H  \\nATOM    327  N   ARG A  21      -5.345  -1.885   5.831  1.00  0.90           N  \\nATOM    328  H   ARG A  21      -6.050  -2.409   5.332  1.00  0.90           H  \\nATOM    329  CA  ARG A  21      -5.326  -1.953   7.293  1.00  0.90           C  \\nATOM    330  HA  ARG A  21      -5.396  -0.941   7.692  1.00  0.90           H  \\nATOM    331  C   ARG A  21      -4.009  -2.528   7.808  1.00  0.90           C  \\nATOM    332  CB  ARG A  21      -6.536  -2.754   7.791  1.00  0.90           C  \\nATOM    333  HB2 ARG A  21      -6.458  -3.784   7.441  1.00  0.90           H  \\nATOM    334  HB3 ARG A  21      -7.452  -2.321   7.390  1.00  0.90           H  \\nATOM    335  O   ARG A  21      -3.307  -1.839   8.541  1.00  0.90           O  \\nATOM    336  CG  ARG A  21      -6.595  -2.721   9.326  1.00  0.90           C  \\nATOM    337  HG2 ARG A  21      -5.635  -3.022   9.745  1.00  0.90           H  \\nATOM    338  HG3 ARG A  21      -6.810  -1.705   9.656  1.00  0.90           H  \\nATOM    339  CD  ARG A  21      -7.658  -3.661   9.884  1.00  0.90           C  \\nATOM    340  HD2 ARG A  21      -7.737  -3.474  10.955  1.00  0.90           H  \\nATOM    341  HD3 ARG A  21      -8.614  -3.441   9.408  1.00  0.90           H  \\nATOM    342  NE  ARG A  21      -7.285  -5.073   9.674  1.00  0.90           N  \\nATOM    343  HE  ARG A  21      -6.313  -5.280   9.498  1.00  0.90           H  \\nATOM    344  NH1 ARG A  21      -9.234  -6.015  10.408  1.00  0.90           N  \\nATOM    345 HH11 ARG A  21      -9.576  -5.081  10.587  1.00  0.90           H  \\nATOM    346 HH12 ARG A  21      -9.808  -6.834  10.543  1.00  0.90           H  \\nATOM    347  NH2 ARG A  21      -7.561  -7.309   9.689  1.00  0.90           N  \\nATOM    348 HH21 ARG A  21      -8.075  -8.148   9.917  1.00  0.90           H  \\nATOM    349 HH22 ARG A  21      -6.562  -7.352   9.552  1.00  0.90           H  \\nATOM    350  CZ  ARG A  21      -8.031  -6.124   9.919  1.00  0.90           C  \\nATOM    351  N   GLU A  22      -3.644  -3.737   7.389  1.00  0.94           N  \\nATOM    352  H   GLU A  22      -4.255  -4.227   6.752  1.00  0.94           H  \\nATOM    353  CA  GLU A  22      -2.456  -4.435   7.904  1.00  0.94           C  \\nATOM    354  HA  GLU A  22      -2.525  -4.521   8.988  1.00  0.94           H  \\nATOM    355  C   GLU A  22      -1.160  -3.676   7.593  1.00  0.94           C  \\nATOM    356  CB  GLU A  22      -2.370  -5.848   7.304  1.00  0.94           C  \\nATOM    357  HB2 GLU A  22      -1.432  -6.305   7.618  1.00  0.94           H  \\nATOM    358  HB3 GLU A  22      -2.346  -5.768   6.217  1.00  0.94           H  \\nATOM    359  O   GLU A  22      -0.281  -3.561   8.447  1.00  0.94           O  \\nATOM    360  CG  GLU A  22      -3.523  -6.785   7.695  1.00  0.94           C  \\nATOM    361  HG2 GLU A  22      -4.458  -6.399   7.290  1.00  0.94           H  \\nATOM    362  HG3 GLU A  22      -3.348  -7.755   7.231  1.00  0.94           H  \\nATOM    363  CD  GLU A  22      -3.685  -6.976   9.204  1.00  0.94           C  \\nATOM    364  OE1 GLU A  22      -4.867  -7.028   9.628  1.00  0.94           O  \\nATOM    365  OE2 GLU A  22      -2.650  -7.110   9.892  1.00  0.94           O  \\nATOM    366  N   VAL A  23      -1.037  -3.090   6.395  1.00  0.97           N  \\nATOM    367  H   VAL A  23      -1.779  -3.205   5.719  1.00  0.97           H  \\nATOM    368  CA  VAL A  23       0.126  -2.256   6.048  1.00  0.97           C  \\nATOM    369  HA  VAL A  23       1.032  -2.806   6.303  1.00  0.97           H  \\nATOM    370  C   VAL A  23       0.146  -0.976   6.880  1.00  0.97           C  \\nATOM    371  CB  VAL A  23       0.165  -1.948   4.539  1.00  0.97           C  \\nATOM    372  HB  VAL A  23      -0.797  -1.546   4.222  1.00  0.97           H  \\nATOM    373  O   VAL A  23       1.210  -0.578   7.358  1.00  0.97           O  \\nATOM    374  CG1 VAL A  23       1.249  -0.922   4.180  1.00  0.97           C  \\nATOM    375 HG11 VAL A  23       1.352  -0.842   3.098  1.00  0.97           H  \\nATOM    376 HG12 VAL A  23       0.974   0.059   4.567  1.00  0.97           H  \\nATOM    377 HG13 VAL A  23       2.206  -1.226   4.606  1.00  0.97           H  \\nATOM    378  CG2 VAL A  23       0.465  -3.233   3.756  1.00  0.97           C  \\nATOM    379 HG21 VAL A  23       1.460  -3.603   4.006  1.00  0.97           H  \\nATOM    380 HG22 VAL A  23      -0.266  -4.002   4.004  1.00  0.97           H  \\nATOM    381 HG23 VAL A  23       0.408  -3.038   2.685  1.00  0.97           H  \\nATOM    382  N   SER A  24      -1.010  -0.340   7.094  1.00  0.98           N  \\nATOM    383  H   SER A  24      -1.865  -0.734   6.728  1.00  0.98           H  \\nATOM    384  CA  SER A  24      -1.087   0.858   7.934  1.00  0.98           C  \\nATOM    385  HA  SER A  24      -0.381   1.587   7.536  1.00  0.98           H  \\nATOM    386  C   SER A  24      -0.682   0.560   9.376  1.00  0.98           C  \\nATOM    387  CB  SER A  24      -2.481   1.490   7.915  1.00  0.98           C  \\nATOM    388  HB2 SER A  24      -2.475   2.381   8.544  1.00  0.98           H  \\nATOM    389  HB3 SER A  24      -3.217   0.786   8.303  1.00  0.98           H  \\nATOM    390  O   SER A  24       0.106   1.307   9.957  1.00  0.98           O  \\nATOM    391  OG  SER A  24      -2.832   1.877   6.606  1.00  0.98           O  \\nATOM    392  HG  SER A  24      -3.126   1.077   6.164  1.00  0.98           H  \\nATOM    393  N   GLU A  25      -1.165  -0.550   9.935  1.00  0.95           N  \\nATOM    394  H   GLU A  25      -1.819  -1.109   9.406  1.00  0.95           H  \\nATOM    395  CA  GLU A  25      -0.827  -1.017  11.280  1.00  0.95           C  \\nATOM    396  HA  GLU A  25      -1.010  -0.224  12.005  1.00  0.95           H  \\nATOM    397  C   GLU A  25       0.649  -1.399  11.404  1.00  0.95           C  \\nATOM    398  CB  GLU A  25      -1.711  -2.213  11.649  1.00  0.95           C  \\nATOM    399  HB2 GLU A  25      -1.306  -2.668  12.554  1.00  0.95           H  \\nATOM    400  HB3 GLU A  25      -1.680  -2.948  10.845  1.00  0.95           H  \\nATOM    401  O   GLU A  25       1.296  -1.017  12.380  1.00  0.95           O  \\nATOM    402  CG  GLU A  25      -3.165  -1.797  11.922  1.00  0.95           C  \\nATOM    403  HG2 GLU A  25      -3.568  -1.273  11.056  1.00  0.95           H  \\nATOM    404  HG3 GLU A  25      -3.171  -1.097  12.758  1.00  0.95           H  \\nATOM    405  CD  GLU A  25      -4.068  -2.991  12.263  1.00  0.95           C  \\nATOM    406  OE1 GLU A  25      -5.304  -2.790  12.266  1.00  0.95           O  \\nATOM    407  OE2 GLU A  25      -3.523  -4.071  12.578  1.00  0.95           O  \\nATOM    408  N   ALA A  26       1.213  -2.087  10.409  1.00  0.97           N  \\nATOM    409  H   ALA A  26       0.625  -2.425   9.660  1.00  0.97           H  \\nATOM    410  CA  ALA A  26       2.630  -2.438  10.390  1.00  0.97           C  \\nATOM    411  HA  ALA A  26       2.859  -3.001  11.294  1.00  0.97           H  \\nATOM    412  C   ALA A  26       3.521  -1.188  10.388  1.00  0.97           C  \\nATOM    413  CB  ALA A  26       2.905  -3.336   9.179  1.00  0.97           C  \\nATOM    414  HB1 ALA A  26       2.664  -2.808   8.256  1.00  0.97           H  \\nATOM    415  HB2 ALA A  26       3.957  -3.622   9.166  1.00  0.97           H  \\nATOM    416  HB3 ALA A  26       2.292  -4.235   9.241  1.00  0.97           H  \\nATOM    417  O   ALA A  26       4.431  -1.083  11.207  1.00  0.97           O  \\nATOM    418  N   ILE A  27       3.229  -0.206   9.528  1.00  0.97           N  \\nATOM    419  H   ILE A  27       2.460  -0.349   8.889  1.00  0.97           H  \\nATOM    420  CA  ILE A  27       3.969   1.064   9.480  1.00  0.97           C  \\nATOM    421  HA  ILE A  27       5.030   0.848   9.355  1.00  0.97           H  \\nATOM    422  C   ILE A  27       3.817   1.829  10.798  1.00  0.97           C  \\nATOM    423  CB  ILE A  27       3.489   1.910   8.281  1.00  0.97           C  \\nATOM    424  HB  ILE A  27       2.402   1.979   8.331  1.00  0.97           H  \\nATOM    425  O   ILE A  27       4.807   2.327  11.335  1.00  0.97           O  \\nATOM    426  CG1 ILE A  27       3.887   1.232   6.950  1.00  0.97           C  \\nATOM    427 HG12 ILE A  27       4.964   1.311   6.807  1.00  0.97           H  \\nATOM    428 HG13 ILE A  27       3.643   0.170   6.985  1.00  0.97           H  \\nATOM    429  CG2 ILE A  27       4.071   3.338   8.319  1.00  0.97           C  \\nATOM    430 HG21 ILE A  27       3.712   3.912   7.465  1.00  0.97           H  \\nATOM    431 HG22 ILE A  27       5.159   3.286   8.290  1.00  0.97           H  \\nATOM    432 HG23 ILE A  27       3.755   3.860   9.222  1.00  0.97           H  \\nATOM    433  CD1 ILE A  27       3.172   1.824   5.730  1.00  0.97           C  \\nATOM    434 HD11 ILE A  27       3.402   1.214   4.856  1.00  0.97           H  \\nATOM    435 HD12 ILE A  27       3.509   2.843   5.538  1.00  0.97           H  \\nATOM    436 HD13 ILE A  27       2.094   1.818   5.890  1.00  0.97           H  \\nATOM    437  N   SER A  28       2.589   1.915  11.318  1.00  0.97           N  \\nATOM    438  H   SER A  28       1.827   1.474  10.822  1.00  0.97           H  \\nATOM    439  CA  SER A  28       2.284   2.585  12.584  1.00  0.97           C  \\nATOM    440  HA  SER A  28       2.572   3.633  12.505  1.00  0.97           H  \\nATOM    441  C   SER A  28       3.074   1.974  13.740  1.00  0.97           C  \\nATOM    442  CB  SER A  28       0.775   2.518  12.840  1.00  0.97           C  \\nATOM    443  HB2 SER A  28       0.451   1.477  12.843  1.00  0.97           H  \\nATOM    444  HB3 SER A  28       0.260   3.037  12.032  1.00  0.97           H  \\nATOM    445  O   SER A  28       3.760   2.700  14.450  1.00  0.97           O  \\nATOM    446  OG  SER A  28       0.418   3.109  14.071  1.00  0.97           O  \\nATOM    447  HG  SER A  28       0.955   3.893  14.208  1.00  0.97           H  \\nATOM    448  N   ARG A  29       3.074   0.642  13.871  1.00  0.85           N  \\nATOM    449  H   ARG A  29       2.491   0.110  13.241  1.00  0.85           H  \\nATOM    450  CA  ARG A  29       3.822  -0.086  14.904  1.00  0.85           C  \\nATOM    451  HA  ARG A  29       3.583   0.339  15.879  1.00  0.85           H  \\nATOM    452  C   ARG A  29       5.334   0.052  14.744  1.00  0.85           C  \\nATOM    453  CB  ARG A  29       3.391  -1.559  14.864  1.00  0.85           C  \\nATOM    454  HB2 ARG A  29       3.516  -1.934  13.848  1.00  0.85           H  \\nATOM    455  HB3 ARG A  29       2.334  -1.619  15.120  1.00  0.85           H  \\nATOM    456  O   ARG A  29       6.024   0.307  15.722  1.00  0.85           O  \\nATOM    457  CG  ARG A  29       4.204  -2.456  15.815  1.00  0.85           C  \\nATOM    458  HG2 ARG A  29       5.264  -2.396  15.569  1.00  0.85           H  \\nATOM    459  HG3 ARG A  29       4.068  -2.121  16.844  1.00  0.85           H  \\nATOM    460  CD  ARG A  29       3.795  -3.926  15.686  1.00  0.85           C  \\nATOM    461  HD2 ARG A  29       3.873  -4.214  14.638  1.00  0.85           H  \\nATOM    462  HD3 ARG A  29       4.499  -4.531  16.258  1.00  0.85           H  \\nATOM    463  NE  ARG A  29       2.434  -4.162  16.207  1.00  0.85           N  \\nATOM    464  HE  ARG A  29       2.182  -3.649  17.039  1.00  0.85           H  \\nATOM    465  NH1 ARG A  29       1.676  -5.610  14.582  1.00  0.85           N  \\nATOM    466 HH11 ARG A  29       2.557  -5.536  14.093  1.00  0.85           H  \\nATOM    467 HH12 ARG A  29       0.898  -6.082  14.142  1.00  0.85           H  \\nATOM    468  NH2 ARG A  29       0.313  -4.983  16.219  1.00  0.85           N  \\nATOM    469 HH21 ARG A  29      -0.434  -5.462  15.735  1.00  0.85           H  \\nATOM    470 HH22 ARG A  29       0.086  -4.408  17.018  1.00  0.85           H  \\nATOM    471  CZ  ARG A  29       1.491  -4.917  15.670  1.00  0.85           C  \\nATOM    472  N   SER A  30       5.864  -0.168  13.542  1.00  0.96           N  \\nATOM    473  H   SER A  30       5.255  -0.415  12.775  1.00  0.96           H  \\nATOM    474  CA  SER A  30       7.316  -0.215  13.325  1.00  0.96           C  \\nATOM    475  HA  SER A  30       7.763  -0.885  14.059  1.00  0.96           H  \\nATOM    476  C   SER A  30       7.996   1.140  13.498  1.00  0.96           C  \\nATOM    477  CB  SER A  30       7.626  -0.745  11.925  1.00  0.96           C  \\nATOM    478  HB2 SER A  30       7.032  -0.205  11.187  1.00  0.96           H  \\nATOM    479  HB3 SER A  30       8.682  -0.592  11.704  1.00  0.96           H  \\nATOM    480  O   SER A  30       9.166   1.179  13.866  1.00  0.96           O  \\nATOM    481  OG  SER A  30       7.341  -2.128  11.855  1.00  0.96           O  \\nATOM    482  HG  SER A  30       7.974  -2.594  12.407  1.00  0.96           H  \\nATOM    483  N   LEU A  31       7.287   2.234  13.216  1.00  0.96           N  \\nATOM    484  H   LEU A  31       6.336   2.125  12.895  1.00  0.96           H  \\nATOM    485  CA  LEU A  31       7.814   3.595  13.336  1.00  0.96           C  \\nATOM    486  HA  LEU A  31       8.897   3.561  13.453  1.00  0.96           H  \\nATOM    487  C   LEU A  31       7.297   4.333  14.576  1.00  0.96           C  \\nATOM    488  CB  LEU A  31       7.482   4.372  12.049  1.00  0.96           C  \\nATOM    489  HB2 LEU A  31       7.841   5.396  12.159  1.00  0.96           H  \\nATOM    490  HB3 LEU A  31       6.398   4.412  11.946  1.00  0.96           H  \\nATOM    491  O   LEU A  31       7.621   5.507  14.734  1.00  0.96           O  \\nATOM    492  CG  LEU A  31       8.087   3.785  10.764  1.00  0.96           C  \\nATOM    493  HG  LEU A  31       7.738   2.762  10.618  1.00  0.96           H  \\nATOM    494  CD1 LEU A  31       7.620   4.621   9.571  1.00  0.96           C  \\nATOM    495 HD11 LEU A  31       7.994   4.180   8.647  1.00  0.96           H  \\nATOM    496 HD12 LEU A  31       6.530   4.632   9.550  1.00  0.96           H  \\nATOM    497 HD13 LEU A  31       7.992   5.641   9.667  1.00  0.96           H  \\nATOM    498  CD2 LEU A  31       9.617   3.793  10.783  1.00  0.96           C  \\nATOM    499 HD21 LEU A  31       9.986   4.798  10.989  1.00  0.96           H  \\nATOM    500 HD22 LEU A  31      10.003   3.451   9.822  1.00  0.96           H  \\nATOM    501 HD23 LEU A  31       9.979   3.114  11.555  1.00  0.96           H  \\nATOM    502  N   ASP A  32       6.464   3.681  15.393  1.00  0.93           N  \\nATOM    503  H   ASP A  32       6.295   2.699  15.231  1.00  0.93           H  \\nATOM    504  CA  ASP A  32       5.680   4.316  16.463  1.00  0.93           C  \\nATOM    505  HA  ASP A  32       4.901   3.603  16.730  1.00  0.93           H  \\nATOM    506  C   ASP A  32       4.942   5.582  15.973  1.00  0.93           C  \\nATOM    507  CB  ASP A  32       6.559   4.511  17.706  1.00  0.93           C  \\nATOM    508  HB2 ASP A  32       7.236   5.349  17.545  1.00  0.93           H  \\nATOM    509  HB3 ASP A  32       7.161   3.615  17.857  1.00  0.93           H  \\nATOM    510  O   ASP A  32       4.881   6.630  16.614  1.00  0.93           O  \\nATOM    511  CG  ASP A  32       5.740   4.740  18.980  1.00  0.93           C  \\nATOM    512  OD1 ASP A  32       6.303   5.353  19.915  1.00  0.93           O  \\nATOM    513  OD2 ASP A  32       4.593   4.238  19.045  1.00  0.93           O  \\nATOM    514  N   ALA A  33       4.428   5.507  14.743  1.00  0.96           N  \\nATOM    515  H   ALA A  33       4.426   4.590  14.319  1.00  0.96           H  \\nATOM    516  CA  ALA A  33       3.752   6.607  14.075  1.00  0.96           C  \\nATOM    517  HA  ALA A  33       4.118   7.537  14.510  1.00  0.96           H  \\nATOM    518  C   ALA A  33       2.235   6.503  14.289  1.00  0.96           C  \\nATOM    519  CB  ALA A  33       4.132   6.611  12.589  1.00  0.96           C  \\nATOM    520  HB1 ALA A  33       3.824   5.673  12.126  1.00  0.96           H  \\nATOM    521  HB2 ALA A  33       3.641   7.445  12.087  1.00  0.96           H  \\nATOM    522  HB3 ALA A  33       5.212   6.720  12.497  1.00  0.96           H  \\nATOM    523  O   ALA A  33       1.693   5.396  14.248  1.00  0.96           O  \\nATOM    524  N   PRO A  34       1.495   7.622  14.409  1.00  0.96           N  \\nATOM    525  CA  PRO A  34       0.042   7.573  14.540  1.00  0.96           C  \\nATOM    526  HA  PRO A  34      -0.207   7.032  15.453  1.00  0.96           H  \\nATOM    527  C   PRO A  34      -0.595   6.887  13.330  1.00  0.96           C  \\nATOM    528  CB  PRO A  34      -0.418   9.032  14.667  1.00  0.96           C  \\nATOM    529  HB2 PRO A  34      -1.247   9.130  15.368  1.00  0.96           H  \\nATOM    530  HB3 PRO A  34      -0.698   9.436  13.695  1.00  0.96           H  \\nATOM    531  O   PRO A  34      -0.387   7.333  12.197  1.00  0.96           O  \\nATOM    532  CG  PRO A  34       0.828   9.761  15.167  1.00  0.96           C  \\nATOM    533  HG2 PRO A  34       0.894   9.668  16.251  1.00  0.96           H  \\nATOM    534  HG3 PRO A  34       0.830  10.811  14.872  1.00  0.96           H  \\nATOM    535  CD  PRO A  34       1.975   8.989  14.523  1.00  0.96           C  \\nATOM    536  HD2 PRO A  34       2.857   9.059  15.159  1.00  0.96           H  \\nATOM    537  HD3 PRO A  34       2.186   9.386  13.530  1.00  0.96           H  \\nATOM    538  N   LEU A  35      -1.411   5.854  13.561  1.00  0.95           N  \\nATOM    539  H   LEU A  35      -1.438   5.472  14.496  1.00  0.95           H  \\nATOM    540  CA  LEU A  35      -2.085   5.094  12.501  1.00  0.95           C  \\nATOM    541  HA  LEU A  35      -1.324   4.583  11.911  1.00  0.95           H  \\nATOM    542  C   LEU A  35      -2.876   6.004  11.549  1.00  0.95           C  \\nATOM    543  CB  LEU A  35      -3.003   4.048  13.163  1.00  0.95           C  \\nATOM    544  HB2 LEU A  35      -2.410   3.441  13.848  1.00  0.95           H  \\nATOM    545  HB3 LEU A  35      -3.760   4.569  13.749  1.00  0.95           H  \\nATOM    546  O   LEU A  35      -2.808   5.853  10.337  1.00  0.95           O  \\nATOM    547  CG  LEU A  35      -3.715   3.108  12.171  1.00  0.95           C  \\nATOM    548  HG  LEU A  35      -4.290   3.692  11.451  1.00  0.95           H  \\nATOM    549  CD1 LEU A  35      -2.718   2.231  11.424  1.00  0.95           C  \\nATOM    550 HD11 LEU A  35      -3.254   1.500  10.818  1.00  0.95           H  \\nATOM    551 HD12 LEU A  35      -2.095   2.842  10.770  1.00  0.95           H  \\nATOM    552 HD13 LEU A  35      -2.088   1.702  12.140  1.00  0.95           H  \\nATOM    553  CD2 LEU A  35      -4.683   2.198  12.923  1.00  0.95           C  \\nATOM    554 HD21 LEU A  35      -5.429   2.794  13.449  1.00  0.95           H  \\nATOM    555 HD22 LEU A  35      -5.195   1.541  12.220  1.00  0.95           H  \\nATOM    556 HD23 LEU A  35      -4.141   1.582  13.640  1.00  0.95           H  \\nATOM    557  N   THR A  36      -3.545   7.025  12.086  1.00  0.95           N  \\nATOM    558  H   THR A  36      -3.516   7.133  13.090  1.00  0.95           H  \\nATOM    559  CA  THR A  36      -4.327   8.014  11.320  1.00  0.95           C  \\nATOM    560  HA  THR A  36      -5.055   7.487  10.703  1.00  0.95           H  \\nATOM    561  C   THR A  36      -3.485   8.886  10.379  1.00  0.95           C  \\nATOM    562  CB  THR A  36      -5.078   8.941  12.286  1.00  0.95           C  \\nATOM    563  HB  THR A  36      -5.605   9.706  11.717  1.00  0.95           H  \\nATOM    564  O   THR A  36      -4.002   9.460   9.416  1.00  0.95           O  \\nATOM    565  CG2 THR A  36      -6.088   8.186  13.150  1.00  0.95           C  \\nATOM    566 HG21 THR A  36      -6.777   7.637  12.508  1.00  0.95           H  \\nATOM    567 HG22 THR A  36      -6.660   8.893  13.750  1.00  0.95           H  \\nATOM    568 HG23 THR A  36      -5.583   7.482  13.812  1.00  0.95           H  \\nATOM    569  OG1 THR A  36      -4.162   9.558  13.166  1.00  0.95           O  \\nATOM    570  HG1 THR A  36      -4.671  10.067  13.801  1.00  0.95           H  \\nATOM    571  N   SER A  37      -2.179   8.998  10.636  1.00  0.95           N  \\nATOM    572  H   SER A  37      -1.813   8.474  11.418  1.00  0.95           H  \\nATOM    573  CA  SER A  37      -1.230   9.680   9.751  1.00  0.95           C  \\nATOM    574  HA  SER A  37      -1.737  10.521   9.279  1.00  0.95           H  \\nATOM    575  C   SER A  37      -0.712   8.773   8.633  1.00  0.95           C  \\nATOM    576  CB  SER A  37      -0.055  10.243  10.556  1.00  0.95           C  \\nATOM    577  HB2 SER A  37      -0.421  10.692  11.479  1.00  0.95           H  \\nATOM    578  HB3 SER A  37       0.433  11.018   9.966  1.00  0.95           H  \\nATOM    579  O   SER A  37      -0.055   9.260   7.707  1.00  0.95           O  \\nATOM    580  OG  SER A  37       0.904   9.241  10.851  1.00  0.95           O  \\nATOM    581  HG  SER A  37       0.486   8.559  11.382  1.00  0.95           H  \\nATOM    582  N   VAL A  38      -0.954   7.462   8.727  1.00  0.97           N  \\nATOM    583  H   VAL A  38      -1.543   7.117   9.472  1.00  0.97           H  \\nATOM    584  CA  VAL A  38      -0.581   6.502   7.695  1.00  0.97           C  \\nATOM    585  HA  VAL A  38       0.359   6.837   7.257  1.00  0.97           H  \\nATOM    586  C   VAL A  38      -1.653   6.512   6.615  1.00  0.97           C  \\nATOM    587  CB  VAL A  38      -0.312   5.088   8.238  1.00  0.97           C  \\nATOM    588  HB  VAL A  38      -1.233   4.629   8.596  1.00  0.97           H  \\nATOM    589  O   VAL A  38      -2.837   6.324   6.876  1.00  0.97           O  \\nATOM    590  CG1 VAL A  38       0.275   4.236   7.106  1.00  0.97           C  \\nATOM    591 HG11 VAL A  38       0.711   3.327   7.521  1.00  0.97           H  \\nATOM    592 HG12 VAL A  38       1.061   4.774   6.577  1.00  0.97           H  \\nATOM    593 HG13 VAL A  38      -0.512   3.954   6.407  1.00  0.97           H  \\nATOM    594  CG2 VAL A  38       0.714   5.112   9.382  1.00  0.97           C  \\nATOM    595 HG21 VAL A  38       0.896   4.093   9.725  1.00  0.97           H  \\nATOM    596 HG22 VAL A  38       1.654   5.550   9.045  1.00  0.97           H  \\nATOM    597 HG23 VAL A  38       0.322   5.678  10.227  1.00  0.97           H  \\nATOM    598  N   ARG A  39      -1.236   6.789   5.384  1.00  0.89           N  \\nATOM    599  H   ARG A  39      -0.250   6.965   5.252  1.00  0.89           H  \\nATOM    600  CA  ARG A  39      -2.084   6.727   4.196  1.00  0.89           C  \\nATOM    601  HA  ARG A  39      -3.098   6.449   4.482  1.00  0.89           H  \\nATOM    602  C   ARG A  39      -1.548   5.630   3.301  1.00  0.89           C  \\nATOM    603  CB  ARG A  39      -2.110   8.080   3.466  1.00  0.89           C  \\nATOM    604  HB2 ARG A  39      -1.129   8.254   3.025  1.00  0.89           H  \\nATOM    605  HB3 ARG A  39      -2.828   8.019   2.648  1.00  0.89           H  \\nATOM    606  O   ARG A  39      -0.341   5.563   3.081  1.00  0.89           O  \\nATOM    607  CG  ARG A  39      -2.463   9.289   4.348  1.00  0.89           C  \\nATOM    608  HG2 ARG A  39      -1.711   9.412   5.128  1.00  0.89           H  \\nATOM    609  HG3 ARG A  39      -2.450  10.183   3.725  1.00  0.89           H  \\nATOM    610  CD  ARG A  39      -3.849   9.150   4.991  1.00  0.89           C  \\nATOM    611  HD2 ARG A  39      -3.848   8.286   5.655  1.00  0.89           H  \\nATOM    612  HD3 ARG A  39      -4.594   8.964   4.217  1.00  0.89           H  \\nATOM    613  NE  ARG A  39      -4.205  10.339   5.790  1.00  0.89           N  \\nATOM    614  HE  ARG A  39      -3.951  10.294   6.766  1.00  0.89           H  \\nATOM    615  NH1 ARG A  39      -5.415  11.475   4.194  1.00  0.89           N  \\nATOM    616 HH11 ARG A  39      -5.272  10.707   3.554  1.00  0.89           H  \\nATOM    617 HH12 ARG A  39      -5.988  12.262   3.925  1.00  0.89           H  \\nATOM    618  NH2 ARG A  39      -5.161  12.352   6.229  1.00  0.89           N  \\nATOM    619 HH21 ARG A  39      -4.844  12.274   7.185  1.00  0.89           H  \\nATOM    620 HH22 ARG A  39      -5.730  13.137   5.946  1.00  0.89           H  \\nATOM    621  CZ  ARG A  39      -4.921  11.379   5.398  1.00  0.89           C  \\nATOM    622  N   VAL A  40      -2.435   4.810   2.763  1.00  0.97           N  \\nATOM    623  H   VAL A  40      -3.414   4.917   2.985  1.00  0.97           H  \\nATOM    624  CA  VAL A  40      -2.075   3.778   1.795  1.00  0.97           C  \\nATOM    625  HA  VAL A  40      -1.007   3.831   1.583  1.00  0.97           H  \\nATOM    626  C   VAL A  40      -2.829   4.063   0.509  1.00  0.97           C  \\nATOM    627  CB  VAL A  40      -2.343   2.366   2.335  1.00  0.97           C  \\nATOM    628  HB  VAL A  40      -3.412   2.255   2.517  1.00  0.97           H  \\nATOM    629  O   VAL A  40      -4.038   4.274   0.524  1.00  0.97           O  \\nATOM    630  CG1 VAL A  40      -1.888   1.297   1.336  1.00  0.97           C  \\nATOM    631 HG11 VAL A  40      -2.474   1.360   0.419  1.00  0.97           H  \\nATOM    632 HG12 VAL A  40      -2.038   0.306   1.763  1.00  0.97           H  \\nATOM    633 HG13 VAL A  40      -0.832   1.428   1.100  1.00  0.97           H  \\nATOM    634  CG2 VAL A  40      -1.590   2.125   3.649  1.00  0.97           C  \\nATOM    635 HG21 VAL A  40      -0.515   2.227   3.499  1.00  0.97           H  \\nATOM    636 HG22 VAL A  40      -1.912   2.839   4.407  1.00  0.97           H  \\nATOM    637 HG23 VAL A  40      -1.804   1.122   4.018  1.00  0.97           H  \\nATOM    638  N   ILE A  41      -2.099   4.106  -0.596  1.00  0.95           N  \\nATOM    639  H   ILE A  41      -1.105   3.949  -0.514  1.00  0.95           H  \\nATOM    640  CA  ILE A  41      -2.643   4.261  -1.940  1.00  0.95           C  \\nATOM    641  HA  ILE A  41      -3.719   4.429  -1.892  1.00  0.95           H  \\nATOM    642  C   ILE A  41      -2.386   2.952  -2.668  1.00  0.95           C  \\nATOM    643  CB  ILE A  41      -1.997   5.462  -2.662  1.00  0.95           C  \\nATOM    644  HB  ILE A  41      -0.921   5.289  -2.707  1.00  0.95           H  \\nATOM    645  O   ILE A  41      -1.245   2.497  -2.737  1.00  0.95           O  \\nATOM    646  CG1 ILE A  41      -2.247   6.775  -1.881  1.00  0.95           C  \\nATOM    647 HG12 ILE A  41      -3.314   6.999  -1.882  1.00  0.95           H  \\nATOM    648 HG13 ILE A  41      -1.932   6.650  -0.846  1.00  0.95           H  \\nATOM    649  CG2 ILE A  41      -2.533   5.564  -4.103  1.00  0.95           C  \\nATOM    650 HG21 ILE A  41      -3.613   5.714  -4.095  1.00  0.95           H  \\nATOM    651 HG22 ILE A  41      -2.062   6.393  -4.632  1.00  0.95           H  \\nATOM    652 HG23 ILE A  41      -2.306   4.658  -4.665  1.00  0.95           H  \\nATOM    653  CD1 ILE A  41      -1.480   7.985  -2.428  1.00  0.95           C  \\nATOM    654 HD11 ILE A  41      -1.850   8.264  -3.414  1.00  0.95           H  \\nATOM    655 HD12 ILE A  41      -0.415   7.756  -2.484  1.00  0.95           H  \\nATOM    656 HD13 ILE A  41      -1.622   8.831  -1.756  1.00  0.95           H  \\nATOM    657  N   ILE A  42      -3.436   2.358  -3.221  1.00  0.95           N  \\nATOM    658  H   ILE A  42      -4.343   2.797  -3.154  1.00  0.95           H  \\nATOM    659  CA  ILE A  42      -3.310   1.199  -4.098  1.00  0.95           C  \\nATOM    660  HA  ILE A  42      -2.343   0.723  -3.934  1.00  0.95           H  \\nATOM    661  C   ILE A  42      -3.335   1.689  -5.541  1.00  0.95           C  \\nATOM    662  CB  ILE A  42      -4.384   0.139  -3.784  1.00  0.95           C  \\nATOM    663  HB  ILE A  42      -5.368   0.606  -3.824  1.00  0.95           H  \\nATOM    664  O   ILE A  42      -4.204   2.460  -5.941  1.00  0.95           O  \\nATOM    665  CG1 ILE A  42      -4.137  -0.412  -2.358  1.00  0.95           C  \\nATOM    666 HG12 ILE A  42      -4.182   0.406  -1.638  1.00  0.95           H  \\nATOM    667 HG13 ILE A  42      -3.141  -0.851  -2.308  1.00  0.95           H  \\nATOM    668  CG2 ILE A  42      -4.339  -0.994  -4.826  1.00  0.95           C  \\nATOM    669 HG21 ILE A  42      -4.512  -0.607  -5.830  1.00  0.95           H  \\nATOM    670 HG22 ILE A  42      -3.371  -1.495  -4.794  1.00  0.95           H  \\nATOM    671 HG23 ILE A  42      -5.131  -1.719  -4.641  1.00  0.95           H  \\nATOM    672  CD1 ILE A  42      -5.152  -1.466  -1.912  1.00  0.95           C  \\nATOM    673 HD11 ILE A  42      -5.084  -2.356  -2.537  1.00  0.95           H  \\nATOM    674 HD12 ILE A  42      -6.158  -1.049  -1.959  1.00  0.95           H  \\nATOM    675 HD13 ILE A  42      -4.930  -1.773  -0.889  1.00  0.95           H  \\nATOM    676  N   THR A  43      -2.372   1.223  -6.321  1.00  0.95           N  \\nATOM    677  H   THR A  43      -1.668   0.630  -5.906  1.00  0.95           H  \\nATOM    678  CA  THR A  43      -2.341   1.366  -7.771  1.00  0.95           C  \\nATOM    679  HA  THR A  43      -3.209   1.931  -8.113  1.00  0.95           H  \\nATOM    680  C   THR A  43      -2.417  -0.029  -8.361  1.00  0.95           C  \\nATOM    681  CB  THR A  43      -1.077   2.099  -8.226  1.00  0.95           C  \\nATOM    682  HB  THR A  43      -0.204   1.488  -7.999  1.00  0.95           H  \\nATOM    683  O   THR A  43      -1.523  -0.851  -8.159  1.00  0.95           O  \\nATOM    684  CG2 THR A  43      -1.097   2.406  -9.720  1.00  0.95           C  \\nATOM    685 HG21 THR A  43      -1.966   3.015  -9.970  1.00  0.95           H  \\nATOM    686 HG22 THR A  43      -0.187   2.944  -9.988  1.00  0.95           H  \\nATOM    687 HG23 THR A  43      -1.131   1.480 -10.294  1.00  0.95           H  \\nATOM    688  OG1 THR A  43      -0.966   3.331  -7.541  1.00  0.95           O  \\nATOM    689  HG1 THR A  43      -1.858   3.675  -7.451  1.00  0.95           H  \\nATOM    690  N   GLU A  44      -3.508  -0.308  -9.059  1.00  0.92           N  \\nATOM    691  H   GLU A  44      -4.216   0.398  -9.201  1.00  0.92           H  \\nATOM    692  CA  GLU A  44      -3.683  -1.570  -9.763  1.00  0.92           C  \\nATOM    693  HA  GLU A  44      -3.191  -2.362  -9.198  1.00  0.92           H  \\nATOM    694  C   GLU A  44      -3.005  -1.490 -11.134  1.00  0.92           C  \\nATOM    695  CB  GLU A  44      -5.169  -1.943  -9.845  1.00  0.92           C  \\nATOM    696  HB2 GLU A  44      -5.269  -2.841 -10.453  1.00  0.92           H  \\nATOM    697  HB3 GLU A  44      -5.719  -1.131 -10.321  1.00  0.92           H  \\nATOM    698  O   GLU A  44      -3.057  -0.475 -11.828  1.00  0.92           O  \\nATOM    699  CG  GLU A  44      -5.752  -2.229  -8.448  1.00  0.92           C  \\nATOM    700  HG2 GLU A  44      -5.160  -3.015  -7.981  1.00  0.92           H  \\nATOM    701  HG3 GLU A  44      -5.666  -1.335  -7.831  1.00  0.92           H  \\nATOM    702  CD  GLU A  44      -7.228  -2.655  -8.481  1.00  0.92           C  \\nATOM    703  OE1 GLU A  44      -7.599  -3.590  -7.733  1.00  0.92           O  \\nATOM    704  OE2 GLU A  44      -8.018  -2.006  -9.193  1.00  0.92           O  \\nATOM    705  N   MET A  45      -2.334  -2.570 -11.508  1.00  0.90           N  \\nATOM    706  H   MET A  45      -2.290  -3.341 -10.857  1.00  0.90           H  \\nATOM    707  CA  MET A  45      -1.642  -2.741 -12.772  1.00  0.90           C  \\nATOM    708  HA  MET A  45      -1.763  -1.844 -13.379  1.00  0.90           H  \\nATOM    709  C   MET A  45      -2.260  -3.916 -13.517  1.00  0.90           C  \\nATOM    710  CB  MET A  45      -0.142  -2.978 -12.548  1.00  0.90           C  \\nATOM    711  HB2 MET A  45       0.001  -3.862 -11.927  1.00  0.90           H  \\nATOM    712  HB3 MET A  45       0.318  -3.166 -13.519  1.00  0.90           H  \\nATOM    713  O   MET A  45      -2.467  -4.997 -12.957  1.00  0.90           O  \\nATOM    714  CG  MET A  45       0.559  -1.786 -11.888  1.00  0.90           C  \\nATOM    715  HG2 MET A  45       0.165  -1.671 -10.878  1.00  0.90           H  \\nATOM    716  HG3 MET A  45       0.324  -0.880 -12.445  1.00  0.90           H  \\nATOM    717  SD  MET A  45       2.365  -1.949 -11.776  1.00  0.90           S  \\nATOM    718  CE  MET A  45       2.833  -1.777 -13.522  1.00  0.90           C  \\nATOM    719  HE1 MET A  45       3.919  -1.769 -13.604  1.00  0.90           H  \\nATOM    720  HE2 MET A  45       2.436  -0.843 -13.918  1.00  0.90           H  \\nATOM    721  HE3 MET A  45       2.442  -2.616 -14.099  1.00  0.90           H  \\nATOM    722  N   ALA A  46      -2.493  -3.726 -14.810  1.00  0.93           N  \\nATOM    723  H   ALA A  46      -2.360  -2.808 -15.209  1.00  0.93           H  \\nATOM    724  CA  ALA A  46      -2.914  -4.805 -15.683  1.00  0.93           C  \\nATOM    725  HA  ALA A  46      -3.784  -5.289 -15.240  1.00  0.93           H  \\nATOM    726  C   ALA A  46      -1.791  -5.843 -15.838  1.00  0.93           C  \\nATOM    727  CB  ALA A  46      -3.339  -4.214 -17.030  1.00  0.93           C  \\nATOM    728  HB1 ALA A  46      -4.149  -3.502 -16.875  1.00  0.93           H  \\nATOM    729  HB2 ALA A  46      -3.705  -5.009 -17.680  1.00  0.93           H  \\nATOM    730  HB3 ALA A  46      -2.499  -3.710 -17.508  1.00  0.93           H  \\nATOM    731  O   ALA A  46      -0.618  -5.500 -16.024  1.00  0.93           O  \\nATOM    732  N   LYS A  47      -2.160  -7.129 -15.859  1.00  0.87           N  \\nATOM    733  H   LYS A  47      -3.134  -7.326 -15.681  1.00  0.87           H  \\nATOM    734  CA  LYS A  47      -1.224  -8.248 -16.096  1.00  0.87           C  \\nATOM    735  HA  LYS A  47      -0.531  -8.337 -15.260  1.00  0.87           H  \\nATOM    736  C   LYS A  47      -0.362  -8.053 -17.346  1.00  0.87           C  \\nATOM    737  CB  LYS A  47      -2.020  -9.547 -16.259  1.00  0.87           C  \\nATOM    738  HB2 LYS A  47      -1.370 -10.275 -16.745  1.00  0.87           H  \\nATOM    739  HB3 LYS A  47      -2.886  -9.375 -16.899  1.00  0.87           H  \\nATOM    740  O   LYS A  47       0.821  -8.380 -17.345  1.00  0.87           O  \\nATOM    741  CG  LYS A  47      -2.457 -10.176 -14.941  1.00  0.87           C  \\nATOM    742  HG2 LYS A  47      -1.551 -10.500 -14.429  1.00  0.87           H  \\nATOM    743  HG3 LYS A  47      -3.011  -9.454 -14.341  1.00  0.87           H  \\nATOM    744  CD  LYS A  47      -3.309 -11.421 -15.178  1.00  0.87           C  \\nATOM    745  HD2 LYS A  47      -4.221 -11.147 -15.709  1.00  0.87           H  \\nATOM    746  HD3 LYS A  47      -2.737 -12.126 -15.782  1.00  0.87           H  \\nATOM    747  CE  LYS A  47      -3.661 -12.079 -13.843  1.00  0.87           C  \\nATOM    748  HE2 LYS A  47      -2.747 -12.174 -13.256  1.00  0.87           H  \\nATOM    749  HE3 LYS A  47      -4.352 -11.434 -13.300  1.00  0.87           H  \\nATOM    750  NZ  LYS A  47      -4.251 -13.421 -14.070  1.00  0.87           N  \\nATOM    751  HZ1 LYS A  47      -3.594 -14.004 -14.569  1.00  0.87           H  \\nATOM    752  HZ2 LYS A  47      -5.090 -13.349 -14.628  1.00  0.87           H  \\nATOM    753  HZ3 LYS A  47      -4.475 -13.871 -13.194  1.00  0.87           H  \\nATOM    754  N   GLY A  48      -0.957  -7.506 -18.405  1.00  0.92           N  \\nATOM    755  H   GLY A  48      -1.928  -7.244 -18.309  1.00  0.92           H  \\nATOM    756  CA  GLY A  48      -0.298  -7.278 -19.691  1.00  0.92           C  \\nATOM    757  HA2 GLY A  48      -1.055  -7.050 -20.442  1.00  0.92           H  \\nATOM    758  HA3 GLY A  48       0.213  -8.193 -19.992  1.00  0.92           H  \\nATOM    759  C   GLY A  48       0.731  -6.144 -19.700  1.00  0.92           C  \\nATOM    760  O   GLY A  48       1.319  -5.886 -20.745  1.00  0.92           O  \\nATOM    761  N   HIS A  49       0.952  -5.439 -18.587  1.00  0.88           N  \\nATOM    762  H   HIS A  49       0.379  -5.609 -17.773  1.00  0.88           H  \\nATOM    763  CA  HIS A  49       2.055  -4.476 -18.447  1.00  0.88           C  \\nATOM    764  HA  HIS A  49       2.664  -4.481 -19.350  1.00  0.88           H  \\nATOM    765  C   HIS A  49       3.003  -4.840 -17.301  1.00  0.88           C  \\nATOM    766  CB  HIS A  49       1.526  -3.052 -18.260  1.00  0.88           C  \\nATOM    767  HB2 HIS A  49       0.996  -3.009 -17.309  1.00  0.88           H  \\nATOM    768  HB3 HIS A  49       2.373  -2.370 -18.195  1.00  0.88           H  \\nATOM    769  O   HIS A  49       3.929  -4.086 -17.007  1.00  0.88           O  \\nATOM    770  CG  HIS A  49       0.607  -2.522 -19.330  1.00  0.88           C  \\nATOM    771  CD2 HIS A  49      -0.185  -1.439 -19.141  1.00  0.88           C  \\nATOM    772  HD2 HIS A  49      -0.181  -0.802 -18.269  1.00  0.88           H  \\nATOM    773  ND1 HIS A  49       0.210  -3.091 -20.523  1.00  0.88           N  \\nATOM    774  HD1 HIS A  49       0.596  -3.934 -20.923  1.00  0.88           H  \\nATOM    775  CE1 HIS A  49      -0.892  -2.455 -20.941  1.00  0.88           C  \\nATOM    776  HE1 HIS A  49      -1.484  -2.724 -21.804  1.00  0.88           H  \\nATOM    777  NE2 HIS A  49      -1.175  -1.452 -20.113  1.00  0.88           N  \\nATOM    778  N   PHE A  50       2.795  -5.989 -16.655  1.00  0.84           N  \\nATOM    779  H   PHE A  50       2.048  -6.602 -16.951  1.00  0.84           H  \\nATOM    780  CA  PHE A  50       3.702  -6.482 -15.635  1.00  0.84           C  \\nATOM    781  HA  PHE A  50       4.370  -5.673 -15.340  1.00  0.84           H  \\nATOM    782  C   PHE A  50       4.546  -7.619 -16.205  1.00  0.84           C  \\nATOM    783  CB  PHE A  50       2.922  -6.877 -14.382  1.00  0.84           C  \\nATOM    784  HB2 PHE A  50       2.325  -7.761 -14.602  1.00  0.84           H  \\nATOM    785  HB3 PHE A  50       2.234  -6.067 -14.141  1.00  0.84           H  \\nATOM    786  O   PHE A  50       4.035  -8.690 -16.529  1.00  0.84           O  \\nATOM    787  CG  PHE A  50       3.757  -7.145 -13.139  1.00  0.84           C  \\nATOM    788  CD1 PHE A  50       3.085  -7.541 -11.974  1.00  0.84           C  \\nATOM    789  HD1 PHE A  50       2.010  -7.642 -12.001  1.00  0.84           H  \\nATOM    790  CD2 PHE A  50       5.159  -6.979 -13.090  1.00  0.84           C  \\nATOM    791  HD2 PHE A  50       5.731  -6.628 -13.937  1.00  0.84           H  \\nATOM    792  CE1 PHE A  50       3.788  -7.789 -10.784  1.00  0.84           C  \\nATOM    793  HE1 PHE A  50       3.257  -8.086  -9.892  1.00  0.84           H  \\nATOM    794  CE2 PHE A  50       5.870  -7.248 -11.912  1.00  0.84           C  \\nATOM    795  HE2 PHE A  50       6.944  -7.134 -11.895  1.00  0.84           H  \\nATOM    796  CZ  PHE A  50       5.185  -7.651 -10.756  1.00  0.84           C  \\nATOM    797  HZ  PHE A  50       5.732  -7.846  -9.845  1.00  0.84           H  \\nATOM    798  N   GLY A  51       5.845  -7.359 -16.336  1.00  0.93           N  \\nATOM    799  H   GLY A  51       6.179  -6.444 -16.070  1.00  0.93           H  \\nATOM    800  CA  GLY A  51       6.833  -8.340 -16.753  1.00  0.93           C  \\nATOM    801  HA2 GLY A  51       7.605  -7.849 -17.344  1.00  0.93           H  \\nATOM    802  HA3 GLY A  51       6.343  -9.071 -17.396  1.00  0.93           H  \\nATOM    803  C   GLY A  51       7.513  -9.037 -15.574  1.00  0.93           C  \\nATOM    804  O   GLY A  51       7.961  -8.380 -14.636  1.00  0.93           O  \\nATOM    805  N   ILE A  52       7.675 -10.353 -15.664  1.00  0.88           N  \\nATOM    806  H   ILE A  52       7.247 -10.826 -16.448  1.00  0.88           H  \\nATOM    807  CA  ILE A  52       8.547 -11.158 -14.805  1.00  0.88           C  \\nATOM    808  HA  ILE A  52       9.124 -10.500 -14.154  1.00  0.88           H  \\nATOM    809  C   ILE A  52       9.511 -11.899 -15.729  1.00  0.88           C  \\nATOM    810  CB  ILE A  52       7.728 -12.112 -13.909  1.00  0.88           C  \\nATOM    811  HB  ILE A  52       7.145 -12.774 -14.550  1.00  0.88           H  \\nATOM    812  O   ILE A  52       9.091 -12.643 -16.608  1.00  0.88           O  \\nATOM    813  CG1 ILE A  52       6.753 -11.313 -13.010  1.00  0.88           C  \\nATOM    814 HG12 ILE A  52       7.321 -10.660 -12.346  1.00  0.88           H  \\nATOM    815 HG13 ILE A  52       6.117 -10.684 -13.632  1.00  0.88           H  \\nATOM    816  CG2 ILE A  52       8.683 -12.970 -13.056  1.00  0.88           C  \\nATOM    817 HG21 ILE A  52       9.268 -12.336 -12.389  1.00  0.88           H  \\nATOM    818 HG22 ILE A  52       8.115 -13.687 -12.464  1.00  0.88           H  \\nATOM    819 HG23 ILE A  52       9.352 -13.548 -13.693  1.00  0.88           H  \\nATOM    820  CD1 ILE A  52       5.813 -12.185 -12.169  1.00  0.88           C  \\nATOM    821 HD11 ILE A  52       5.291 -12.894 -12.812  1.00  0.88           H  \\nATOM    822 HD12 ILE A  52       6.370 -12.722 -11.402  1.00  0.88           H  \\nATOM    823 HD13 ILE A  52       5.079 -11.546 -11.677  1.00  0.88           H  \\nATOM    824  N   GLY A  53      10.814 -11.637 -15.592  1.00  0.92           N  \\nATOM    825  H   GLY A  53      11.114 -11.025 -14.847  1.00  0.92           H  \\nATOM    826  CA  GLY A  53      11.822 -12.217 -16.490  1.00  0.92           C  \\nATOM    827  HA2 GLY A  53      11.748 -13.304 -16.456  1.00  0.92           H  \\nATOM    828  HA3 GLY A  53      12.816 -11.927 -16.149  1.00  0.92           H  \\nATOM    829  C   GLY A  53      11.679 -11.784 -17.957  1.00  0.92           C  \\nATOM    830  O   GLY A  53      12.136 -12.491 -18.846  1.00  0.92           O  \\nATOM    831  N   GLY A  54      11.031 -10.642 -18.218  1.00  0.92           N  \\nATOM    832  H   GLY A  54      10.651 -10.126 -17.437  1.00  0.92           H  \\nATOM    833  CA  GLY A  54      10.728 -10.168 -19.574  1.00  0.92           C  \\nATOM    834  HA2 GLY A  54      11.563 -10.405 -20.234  1.00  0.92           H  \\nATOM    835  HA3 GLY A  54      10.603  -9.085 -19.555  1.00  0.92           H  \\nATOM    836  C   GLY A  54       9.463 -10.777 -20.188  1.00  0.92           C  \\nATOM    837  O   GLY A  54       9.058 -10.363 -21.271  1.00  0.92           O  \\nATOM    838  N   GLU A  55       8.802 -11.707 -19.499  1.00  0.89           N  \\nATOM    839  H   GLU A  55       9.169 -12.039 -18.619  1.00  0.89           H  \\nATOM    840  CA  GLU A  55       7.511 -12.246 -19.915  1.00  0.89           C  \\nATOM    841  HA  GLU A  55       7.377 -12.074 -20.983  1.00  0.89           H  \\nATOM    842  C   GLU A  55       6.365 -11.558 -19.192  1.00  0.89           C  \\nATOM    843  CB  GLU A  55       7.437 -13.754 -19.682  1.00  0.89           C  \\nATOM    844  HB2 GLU A  55       7.631 -13.991 -18.636  1.00  0.89           H  \\nATOM    845  HB3 GLU A  55       6.420 -14.065 -19.921  1.00  0.89           H  \\nATOM    846  O   GLU A  55       6.444 -11.268 -18.002  1.00  0.89           O  \\nATOM    847  CG  GLU A  55       8.437 -14.493 -20.579  1.00  0.89           C  \\nATOM    848  HG2 GLU A  55       8.491 -13.991 -21.545  1.00  0.89           H  \\nATOM    849  HG3 GLU A  55       9.425 -14.456 -20.121  1.00  0.89           H  \\nATOM    850  CD  GLU A  55       8.008 -15.939 -20.828  1.00  0.89           C  \\nATOM    851  OE1 GLU A  55       8.872 -16.835 -20.758  1.00  0.89           O  \\nATOM    852  OE2 GLU A  55       6.831 -16.117 -21.237  1.00  0.89           O  \\nATOM    853  N   LEU A  56       5.272 -11.318 -19.908  1.00  0.91           N  \\nATOM    854  H   LEU A  56       5.247 -11.609 -20.874  1.00  0.91           H  \\nATOM    855  CA  LEU A  56       4.063 -10.771 -19.310  1.00  0.91           C  \\nATOM    856  HA  LEU A  56       4.319  -9.865 -18.760  1.00  0.91           H  \\nATOM    857  C   LEU A  56       3.447 -11.764 -18.320  1.00  0.91           C  \\nATOM    858  CB  LEU A  56       3.050 -10.428 -20.411  1.00  0.91           C  \\nATOM    859  HB2 LEU A  56       2.138 -10.070 -19.932  1.00  0.91           H  \\nATOM    860  HB3 LEU A  56       2.804 -11.340 -20.955  1.00  0.91           H  \\nATOM    861  O   LEU A  56       3.260 -12.935 -18.644  1.00  0.91           O  \\nATOM    862  CG  LEU A  56       3.521  -9.360 -21.410  1.00  0.91           C  \\nATOM    863  HG  LEU A  56       4.433  -9.692 -21.906  1.00  0.91           H  \\nATOM    864  CD1 LEU A  56       2.447  -9.171 -22.480  1.00  0.91           C  \\nATOM    865 HD11 LEU A  56       2.785  -8.437 -23.212  1.00  0.91           H  \\nATOM    866 HD12 LEU A  56       2.256 -10.116 -22.989  1.00  0.91           H  \\nATOM    867 HD13 LEU A  56       1.524  -8.816 -22.022  1.00  0.91           H  \\nATOM    868  CD2 LEU A  56       3.790  -8.029 -20.709  1.00  0.91           C  \\nATOM    869 HD21 LEU A  56       2.962  -7.782 -20.044  1.00  0.91           H  \\nATOM    870 HD22 LEU A  56       3.910  -7.234 -21.446  1.00  0.91           H  \\nATOM    871 HD23 LEU A  56       4.706  -8.098 -20.124  1.00  0.91           H  \\nATOM    872  N   ALA A  57       3.003 -11.264 -17.171  1.00  0.90           N  \\nATOM    873  H   ALA A  57       3.225 -10.303 -16.952  1.00  0.90           H  \\nATOM    874  CA  ALA A  57       2.240 -12.029 -16.185  1.00  0.90           C  \\nATOM    875  HA  ALA A  57       2.768 -12.963 -15.989  1.00  0.90           H  \\nATOM    876  C   ALA A  57       0.818 -12.402 -16.662  1.00  0.90           C  \\nATOM    877  CB  ALA A  57       2.201 -11.204 -14.893  1.00  0.90           C  \\nATOM    878  HB1 ALA A  57       1.690 -11.768 -14.113  1.00  0.90           H  \\nATOM    879  HB2 ALA A  57       3.217 -10.987 -14.563  1.00  0.90           H  \\nATOM    880  HB3 ALA A  57       1.672 -10.267 -15.066  1.00  0.90           H  \\nATOM    881  O   ALA A  57       0.071 -13.060 -15.941  1.00  0.90           O  \\nATOM    882  N   SER A  58       0.402 -11.942 -17.848  1.00  0.88           N  \\nATOM    883  H   SER A  58       1.052 -11.396 -18.394  1.00  0.88           H  \\nATOM    884  CA  SER A  58      -0.893 -12.269 -18.463  1.00  0.88           C  \\nATOM    885  HA  SER A  58      -1.660 -12.272 -17.689  1.00  0.88           H  \\nATOM    886  C   SER A  58      -0.955 -13.652 -19.104  1.00  0.88           C  \\nATOM    887  CB  SER A  58      -1.270 -11.201 -19.497  1.00  0.88           C  \\nATOM    888  HB2 SER A  58      -1.351 -10.232 -19.005  1.00  0.88           H  \\nATOM    889  HB3 SER A  58      -2.237 -11.440 -19.941  1.00  0.88           H  \\nATOM    890  O   SER A  58      -2.010 -14.007 -19.623  1.00  0.88           O  \\nATOM    891  OG  SER A  58      -0.291 -11.111 -20.512  1.00  0.88           O  \\nATOM    892  HG  SER A  58      -0.360 -11.900 -21.054  1.00  0.88           H  \\nATOM    893  N   LYS A  59       0.159 -14.382 -19.129  1.00  0.75           N  \\nATOM    894  H   LYS A  59       0.956 -14.065 -18.596  1.00  0.75           H  \\nATOM    895  CA  LYS A  59       0.250 -15.719 -19.710  1.00  0.75           C  \\nATOM    896  HA  LYS A  59      -0.418 -15.798 -20.568  1.00  0.75           H  \\nATOM    897  C   LYS A  59      -0.228 -16.806 -18.756  1.00  0.75           C  \\nATOM    898  CB  LYS A  59       1.682 -15.982 -20.164  1.00  0.75           C  \\nATOM    899  HB2 LYS A  59       1.751 -17.034 -20.440  1.00  0.75           H  \\nATOM    900  HB3 LYS A  59       2.364 -15.806 -19.331  1.00  0.75           H  \\nATOM    901  O   LYS A  59       0.005 -16.666 -17.535  1.00  0.75           O  \\nATOM    902  CG  LYS A  59       2.085 -15.118 -21.367  1.00  0.75           C  \\nATOM    903  HG2 LYS A  59       1.366 -15.253 -22.176  1.00  0.75           H  \\nATOM    904  HG3 LYS A  59       2.134 -14.067 -21.086  1.00  0.75           H  \\nATOM    905  CD  LYS A  59       3.460 -15.608 -21.812  1.00  0.75           C  \\nATOM    906  HD2 LYS A  59       3.404 -16.682 -21.990  1.00  0.75           H  \\nATOM    907  HD3 LYS A  59       4.169 -15.439 -21.001  1.00  0.75           H  \\nATOM    908  CE  LYS A  59       3.978 -14.934 -23.078  1.00  0.75           C  \\nATOM    909  HE2 LYS A  59       4.146 -13.879 -22.863  1.00  0.75           H  \\nATOM    910  HE3 LYS A  59       3.239 -15.031 -23.873  1.00  0.75           H  \\nATOM    911  NZ  LYS A  59       5.248 -15.601 -23.450  1.00  0.75           N  \\nATOM    912  HZ1 LYS A  59       5.839 -15.674 -22.634  1.00  0.75           H  \\nATOM    913  HZ2 LYS A  59       5.766 -15.109 -24.164  1.00  0.75           H  \\nATOM    914  HZ3 LYS A  59       5.099 -16.565 -23.710  1.00  0.75           H  \\nATOM    915  OXT LYS A  59      -0.811 -17.759 -19.307  1.00  0.75           O  \\n\",\"pdb\");\n",
              "\tviewer_17298687244347858.setStyle({\"cartoon\": {\"colorscheme\": {\"prop\": \"b\", \"gradient\": \"roygb\", \"min\": 0.5, \"max\": 0.9}}});\n",
              "\tviewer_17298687244347858.addStyle({\"atom\": [\"C\", \"O\", \"N\", \"CA\"]},{\"stick\": {\"colorscheme\": \"WhiteCarbon\", \"radius\": 0.3}});\n",
              "\tviewer_17298687244347858.zoomTo();\n",
              "viewer_17298687244347858.render();\n",
              "});\n",
              "</script>"
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<Figure size 100x10 with 1 Axes>"
            ],
            "image/png": 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BpaWl6Mz3vHnz4OvrK/y9du1a4YqNzv1nx9PT00VlAn8fm3TjgNjYWNjY2ODPP/8UldOuXTt8+umn9a5LfW9L8/T0xLJly/TSY2Ji4ODgADMzMxAR/Pz8RFe6HmV/31iGGk/aOKMhbURX95MnTwrLMzMzRW0TqLpyEx4eLvxdWloKIqr1dtua2phOeXk59u7di9GjRwvPd65evVp05dTPzw8BAQG4evUqtFotvv76a0ilUnTo0AFA1W3URIT8/HxR2WPGjEFISIgo7a233kJgYGCN9WmIJnXlpk+fPiSRSIS//fz8KDMzs8EzFQEQlVNbPiKqV14XFxe6cOEC9e7du0F1aew6depEffv2pS+++IKIiC5evEixsbHC2c+UlBT68ssvydraWngFBQVRZWUlZWVlCeVUP/tgYWFB48ePF8o9ffo0nT17liZNmlSvehUXF1N+fj7169dPlN6vXz9KS0sjIqKuXbtSixYtSK1WU2xsLHl7e9OIESNIrVYTUd1n7svKykihUOi1j/DwcAoPD6du3bpRbm4u7dixg4YOHUpSqeGv66JFi6hfv37k7e1NCxYsoPnz59Pq1avr9T7vpzvrfffu3Qava2rS0tLIz89PtG/69etHpaWlwowuuit3ACg2NpZeeOEF8vDwoLi4OFKr1eTs7Ezu7u41bqOsrEzvjFdlZSVJJBL65ptvqHfv3jRs2DD66KOP6KuvvhJdvakPpVJJlZWVJn9mVkfX39aHv78/WVtb06JFi0ir1daZ39C+qr48MjJSdNWmoZRKZZP57tV3X6WlpVHr1q1FVzc6d+5MzZs3F/phoqpZzZo1ayb87eTkZPDMdm3bMTc3px49eghpnTp1Eq4gEVUdi0pLS+mpp54SHY+ysrLo0qVLRquLjqE2V1BQQFOnTqWJEyfSyZMnSa1Wk1wup9GjRzeo/RM1rf7+SRtnNKSNpKenk7m5Ofn4+Ahp7du3Jzs7O7283bt3F/5vZWVFNjY2tba9uvo1c3Nzev755+mHH36grKwscnR0pHnz5tEHH3wg5Pn6668JALm4uJBCoaCPP/6YXn755RrHK7UxZh/YpIIbYygsLKQ//viD2rRpU2deXedbn7xNWWhoKP34449UUlJC27Zto3bt2lFAQAAREZWWltK0adMoOTlZeKWkpFBmZia1a9dOKMPQrQ2vvvoqHT58mPLy8mjbtm00aNAgUqlURqu3RCKhAQMGUExMjBDIdO/ene7du0dnz56l48ePC+/DEHt7e7p79y799ddfovTw8HB6++23KTExkTp06EAzZsxo0O0qvr6+lJeXJwxqHR0d6dq1a6I8165dIxsbG9FtPLrL1y1btqz3tpqywMBAiouLo5SUFJLJZNSpUycKDAwU2kNt+56oav/fvHlTlObk5EQuLi6i2w49PDwIgBBU1bQ/HR0dRWlFRUVkZWWld6uWqWnfvj1JJBLRYPd+aWlpZGdnJ2rX3bp1o+joaDp69CiNHTu2zgDH0L66365du+ju3bs0YcIEUXpN+0q37H5FRUVN5rvn7u5OEomELly4YJTydLdk6UgkEqqsrDRK2TqlpaXk5OQkOhYlJydTeno6zZs3z+h1MdTmNm7cSLa2trRq1Sry9vamAQMG0I4dOyg6Olo4RnB/b9iTNM74p9prQ8utq18DQMeOHaOpU6eSh4cHXbx4kRYvXkyzZ88W8rRr147UajWVlpZSbm4unThxgsrLy6lt27ZE9Hc/V99jlrHaY5MKbqoPEH///Xdyd3cnMzOzepexfv16kkqlNGrUqFrzVVZW0scff0xt2rQhb2/vB6lukxESEkJSqZQiIyNp+/btNGXKFOGMuY+PD50/f57at2+v95LL5bWW261bN+rZsydt2bKFIiMjacqUKfWuk42NDTk7O1N8fLwoPT4+njp37iz8rTt7HxMTQ4GBgSSVSmnAgAG0evVqunfvnt6Vn/vp5ro/f/68KL19+/b0wQcfUE5ODkVGRtLNmzdp4MCB1KFDB1q+fLnoTJIhycnJZGdnRwqFgoiqrlBGR0eL8hw+fJj8/PxEaWfPniVXV1eyt7evtfymwMPDgxISEkRnQ+Pj46lZs2bk6upKRH8/d7N27VrhIKkLbnTtoTbe3t56+75fv36Un59PpaWlQlpGRgZJpVJhuw3Zn02h73nqqafomWeeoU2bNuld3SooKKBvvvmGxo4dq3eF1MvLi6Kjo+nYsWMUEhJC5eXlNW7D29ubCgoKahwIbN26lYKDg/UOzH5+fnTmzBnR2dPDhw+TjY2NqB+5dOkS/fnnn01ifxERtWjRgoKCgmjjxo10584dveW3bt0ioqrvYW5uLuXm5grLzp8/T7du3RJ9fg+rU6dOpNVqRc8VpKenC/UgqjoWFRQUkLm5ud6xqCF9plwur9fdIob6h7t37+qdEdeNX3SDWO7vDXsSxxn10bFjR9JqtcLznURVV55qC0rqy1AbI6o65ixatIjatm1Lw4cPJ61WS1FRUXT58mWKiIggNzc3vXWsrKzIycmJbt68SQcPHqSRI0cSUdXJfUdHR1GbLC4upsTExH/2mGWUm9sagYCAAFhbW+Ott97ChQsXEBkZCSsrK3zyyScAap8KOicnRzQV9MqVK4V8hqaC3rNnjzAV9G+//aZXF37mRl9oaCjs7OxgZmaGq1evCukpKSlQKpUICwtDUlISMjIyEBUVJZqhpLbnoz777DPI5XLY2dnpTblbXfVnbtauXQsbGxt89913uHDhAhYsWACZTCZ6jiI5ORkSiQQKhUKY/nXt2rUwMzNDnz596nzfPj4+2LBhQ535bt++jS1btsDf3x9SqRS3b98GUDVTzpYtW3DmzBlkZmZi06ZNsLS0xOLFi4V1dVODzps3D2lpadi4caPBqUEnTpxohHnmG8td/1XvNzAwEElJSaJXTk4O8vLyYGlpibCwMKSlpSEqKgr29vZYsmSJqAwvLy+YmZkJM+4UFhZCJpOBiIQZFWvy8ccfo0ePHqK0kpISuLq6YvTo0Th37hzUajXc3d3x6quvCnni4+Nhbm6ONWvWIC0tDUuWLNGbChqo6vNqu5+6PhrDMzcAkJGRAXt7e/Tv3x9qtRo5OTnYv38/unbtWudU0KmpqWjZsiVGjRpV48xAWq0WLVu2xM8//6y3LDMzExKJxOC97bqpoIcOHYrk5GQcOHAALVu21JsKetu2bXU+01MfjefbVzV9t6OjozAVdEZGBs6fP4/169ejU6dOAKpmWvLy8kL//v1x6tQpJCYmokePHqLfhTM0tW71Z2zqeuYGqJpxz9vbG7///jv++9//wt/fH0qlUji2VFZWwt/fH56enjh48CCysrIQHx+PhQsXCs9D1KcuU6dORa9evZCVlYU//vijxmfi9u7dCwcHB9Fsq9HR0ZBIJIiIiEBGRgZOnTqFoKAgqFQq4XmaR9nfN7ahxpM4zgD020j1tjlkyBD4+PggMTERp0+fFsaX69atE/KQgecObW1t9X7j6H6G2lh2djakUikGDRqEr776yuBshvc7cOAA9u/fj8uXL+PQoUPw9PSEr6+vqC9duXIlmjdvjj179iA1NRUjR47Umwr6zp07UCqVRvm9L+Dh+6dGIyAgANOnT8frr78OGxsb2NnZYeHChbVOBU1UNVWjXC6Hm5sbQkJC9IKV6j/kZmlpCQ8PD0yfPh2ZmZkG62IouNGl3f/AW1Ny/PhxEBGGDRumt+zEiRN45plnYG1tDSsrK3Tv3l30oH9tnU5JSQksLS2FSQBqY2gq6KVLl8LFxQUymUxvKmhdHjs7O9HDgLppgd9+++06t7lp06Z6BUH3u3jxotBx7N+/H15eXsJn4+npiU8++UTvgHn06FF4eXlBLpejbdu2eh1eWVkZbG1tkZCQ0KC6NGaGpmUlIoSGhgKofSponerTfwNVD2k6OjrWuf3CwkJYWFjoBUFpaWkYMmQIlEolXF1dMXv2bL0pgr///nt06NABcrkcXbp00fsRz7y8PMhkMoO/7WCqrly5gokTJ6JVq1aQyWRo3bo13nzzzXr9iOeZM2fg4OCAkSNH1vj7FfPnz8dLL72kl/7OO++gdevWNQ5Sr1y5gueeew5KpRL29vaYM2eOXjsaOnSo6Dd0mor8/HyEhYVBpVJBLpfDxcUFwcHBouNgfaeCvt+DBDcajQbDhw+HQqGAm5ubMFXv/ceW4uJivPnmm3B2dhba2Lhx44QJD+pTl/T0dPTp0wdKpRJENU8FXV5eDmdnZ72g5Ntvv4W3tzesrKzQsmVLBAcH602Mwf29YU/iOAOoO7jJz8/Hc889B4VCAZVKhcjISDg4OAgn54EHC24MtbE7d+4gOzu7zvehs3PnTrRt21Y4ToaFhen9OKzuRzxbtWoFhUKBwYMHIz09XZQnMjLSqL9vJQHuu+/ChAUGBpKXlxetW7fucVeFPUJXrlyhdu3a0cmTJ0UP5D0pysrKqGPHjrRz5069S7SP0ubNm2n37t106NChx1aHpmjevHlUXFxMn376qVHLXbBgAd28eZM+++wzo5bblBUUFFCXLl3o9OnTRn1279y5czRo0CDKyMjQm+KdNW0bN26kvXv30sGDB41aLvf3xvWoxxl5eXnUunVrOnLkCA0ePPihyvqn2lhD9enTh2bOnEn//ve/jVKeuVFKYewJU15eToWFhRQeHk59+vR5IgMboqrZQbZv3043btx4rPWQyWS0YcOGx1qHpujdd9+lTZs2UWVl5QPNLlMTBwcH0UOf7OE5OjrS1q1bKScnx6jBjUajoe3bt3Ngw/RMmzaNbt26RSUlJaLZtR4W9/fG8ajGGb/99huVlpZSt27dSKPR0Pz58+npp5+mAQMGPHTZ/1Qba4gbN27QCy+8QC+//LLRyuQrN8wkxcTECA/h79q1i7p16/a4q8QYY4wxE/GoxhkHDx6kOXPm0OXLl6lZs2bUt29fWrdunVFPspiaJhPcMMYYY4wxxkxbk5oKmjHGGGOMMWa6OLhhjDHGGGOMmQQObhhjjDHGGGMmgYMbxhhjjDHGmEng4IYxxhhjjDFmEji4YYwxxhhjjJkEDm4YY4wxxhhjJoGDG8YYY4wxxphJ4OCGMcYYY4wxZhI4uGGMMcYYY4yZBA5uGGOMMcYYYyaBgxvGGGOMMcaYSeDghjHGGGOMMWYSOLhhjDHGGGOMmYT/BwIEulkpbuv7AAAAAElFTkSuQmCC\n"
          },
          "metadata": {}
        }
      ],
      "source": [
        "#@title Display 3D structure {run: \"auto\"}\n",
        "import py3Dmol\n",
        "# import colabfold as cf\n",
        "import colabfold_utils as cf\n",
        "color = \"lDDT\" #@param [\"chain\", \"lDDT\", \"rainbow\"]\n",
        "show_sidechains = False #@param {type:\"boolean\"}\n",
        "show_mainchains = True #@param {type:\"boolean\"}\n",
        "if USE_AMBER:\n",
        "  cf.show_pdb(f\"output/{str(num_run)}/{jobname}_relax.pdb\", show_sidechains, show_mainchains, color, chains=1, vmin=0.5, vmax=0.9).show()\n",
        "else:\n",
        "  cf.show_pdb(f\"output/{str(num_run)}/{jobname}.pdb\", show_sidechains, show_mainchains, color, chains=1, vmin=0.5, vmax=0.9).show()\n",
        "\n",
        "\n",
        "if color == \"lDDT\": cf.plot_plddt_legend().show()"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "cellView": "form",
        "id": "N_jeUHAomlZy"
      },
      "outputs": [],
      "source": [
        "#@title Download prediction\n",
        "\n",
        "#@markdown Once this cell has been executed, a predicted structure in **PDB** format from the last success run\n",
        "\n",
        "#@markdown will be automatically downloaded  to your computer with inputed sequence.\n",
        "from google.colab import files\n",
        "os.system(f'cd output/{str(num_runs)}/; zip -q -r ../../{config_name}.zip *')\n",
        "files.download(f'{config_name}.zip')"
      ]
    }
  ],
  "metadata": {
    "accelerator": "GPU",
    "colab": {
      "gpuType": "T4",
      "provenance": []
    },
    "kernelspec": {
      "display_name": "Python 3",
      "name": "python3"
    },
    "language_info": {
      "name": "python"
    }
  },
  "nbformat": 4,
  "nbformat_minor": 0
}