From 5ecac6127c915e479c5c9a83baedc03b81bbfc2c Mon Sep 17 00:00:00 2001 From: hannahbaumann Date: Wed, 19 Nov 2025 12:51:09 +0100 Subject: [PATCH 1/7] Add notebook for running SepTop with OF3 generated inputs --- openmm_septop/of3_and_septop.ipynb | 1049 ++++++++++++++++++++++++++++ 1 file changed, 1049 insertions(+) create mode 100644 openmm_septop/of3_and_septop.ipynb diff --git a/openmm_septop/of3_and_septop.ipynb b/openmm_septop/of3_and_septop.ipynb new file mode 100644 index 0000000..bda9f41 --- /dev/null +++ b/openmm_septop/of3_and_septop.ipynb @@ -0,0 +1,1049 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "35354229", + "metadata": {}, + "source": [ + "# Running RBFE calculations with OpenFold3 structures\n", + "\n", + "This tutorial gives a step-by-step process to:\n", + "\n", + "**1. Run cofolding on a set of TYK2 ligands**\n", + "\n", + "**2. Prepare the OpenFold3 outputs for free energy calculations**\n", + " - Align complexes\n", + " - Protonate the ligands and protein\n", + " - Output of this step:\n", + " - A single prepared protein structures\n", + " - SDFiles for all the ligands in the set\n", + " \n", + "**3. Run a network of binding free energy calculations using the SepTop protocol**" + ] + }, + { + "cell_type": "markdown", + "id": "2fea29c3", + "metadata": {}, + "source": [ + "## 1. Run cofolding on a set of TYK2 ligands\n", + "\n", + "### Preparing the Input JSON for OpenFold\n", + "\n", + "This step requires assembling two key pieces of information:\n", + "\n", + "- Ligand SMILES strings\n", + "- Protein sequence (extracted from the PDB file)\n", + "\n", + "In this workflow, we begin with an SDF file containing the ligands.\n", + "We extract the SMILES representation for each ligand and store them in a dictionary alongside their ligand identifiers.\n", + "\n", + "We also identify the largest ligand.\n", + "This is important because, in later stages, we will use the protein structure generated during co-folding with the largest ligand. Doing so helps minimize steric clashes between ligand and protein atoms in subsequent calculations." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "08962d91-a334-4c89-adf1-19be6f2bdb16", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "ligands_file = \"tyk2_ligands.sdf\"\n", + "from rdkit.Chem.Descriptors3D import Asphericity\n", + "from rdkit import Chem\n", + "\n", + "ligands_dict = {}\n", + "# Store the surface area to later find the ligand with the largest surface area\n", + "sa = []\n", + "sppl = Chem.SDMolSupplier(ligands_file, removeHs=True)\n", + "for mol in sppl:\n", + " smi = Chem.MolToSmiles(mol)\n", + " name = mol.GetProp(\"_Name\")\n", + " ligands_dict[name] = smi\n", + " vsa = Asphericity(mol)\n", + " sa.append(vsa)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "5ccaaec2-cfbf-4f05-8c91-0e7325b3eaae", + "metadata": {}, + "outputs": [], + "source": [ + "largest_ligand = list(ligands_dict.keys())[sa.index(max(sa))]" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "1c55bfeb-c1bc-4af8-98da-43ff8c1de141", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "{'lig_ejm_31': 'CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_42': 'CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_43': 'CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_46': 'O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_47': 'O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_48': 'O=C(Nc1ccnc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_50': 'O=C(CO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_jmc_23': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_jmc_27': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2Cl)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_jmc_28': 'C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1'}" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "ligands_dict" + ] + }, + { + "cell_type": "markdown", + "id": "80da7967-8046-44e4-aef7-c81ac6712f98", + "metadata": {}, + "source": [ + "We then create the json file that will be the OpenFold input." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "25a8ba0c-311c-476e-9913-9b39611c708d", + "metadata": {}, + "outputs": [], + "source": [ + "import json\n", + "\n", + "# Protein sequence and chain ID\n", + "protein_info = {\n", + " \"molecule_type\": \"protein\",\n", + " \"chain_ids\": \"A\",\n", + " \"sequence\": \"MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADAGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDAGAASLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPAEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH\"\n", + "}\n", + "\n", + "# Build the queries dictionary\n", + "queries = {}\n", + "\n", + "for name, smiles in ligands_dict.items():\n", + " queries[name] = {\n", + " \"chains\": [\n", + " protein_info,\n", + " {\n", + " \"molecule_type\": \"ligand\",\n", + " \"chain_ids\": \"Z\", \n", + " \"smiles\": smiles\n", + " }\n", + " ]\n", + " }\n", + "\n", + "# Write to JSON\n", + "with open(\"queries.json\", \"w\") as f:\n", + " json.dump({\"queries\": queries}, f, indent=4)" + ] + }, + { + "cell_type": "markdown", + "id": "a2546f36-2ca2-4793-ad4b-19b6e76574ae", + "metadata": {}, + "source": [ + "### Running OpenFold\n", + "\n", + "1. Create an `output_settings.yml` file to specify .pdb as output fiel format\n", + "\n", + "```\n", + "output_writer_settings:\n", + " # change output format to pdb (default: mmcif):\n", + " structure_format: pdb\n", + "```\n", + "\n", + "2. Run OpenFold\n", + "\n", + "`run_openfold predict --query_json=queries.json --runner_yaml output_settings.yml`" + ] + }, + { + "cell_type": "markdown", + "id": "b4adde29-282a-45f6-96a6-c8de0700a266", + "metadata": {}, + "source": [ + "## 2. Prepare the OpenFold3 outputs for free energy calculations\n", + "\n", + "### Align complexes with MDAnalysis" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "25ef33bf-fb1a-45da-96e4-004f77ef7d34", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "lig_jmc_27\n", + "lig_ejm_46\n", + "lig_ejm_50\n", + "lig_ejm_47\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/Users/hannahbaumann/miniforge3/envs/openfe_dev/lib/python3.12/site-packages/MDAnalysis/coordinates/PDB.py:777: UserWarning: Unit cell dimensions not found. CRYST1 record set to unitary values.\n", + " warnings.warn(\"Unit cell dimensions not found. \"\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "lig_ejm_31\n", + "lig_jmc_23\n", + "lig_ejm_42\n", + "lig_jmc_28\n", + "lig_ejm_48\n", + "lig_ejm_43\n" + ] + } + ], + "source": [ + "import MDAnalysis as mda\n", + "from MDAnalysis.analysis import align\n", + "from rdkit import Chem\n", + "import glob\n", + "\n", + "# 1) Load reference and mobile complexes\n", + "reference_pdb = f\"of3_output/{largest_ligand}_seed_42_sample_1_model.pdb\"\n", + "other_pdb = glob.glob(\"of3_output/*_seed_42_sample_1_model.pdb\")\n", + "\n", + "ref = mda.Universe(reference_pdb)\n", + "for pdb in other_pdb:\n", + " \n", + " ligand = pdb.split('/')[1].split('_seed')[0]\n", + " mob = mda.Universe(pdb)\n", + "\n", + " # 2) Align mobile → reference using protein backbone (recommended)\n", + " ref_prot = ref.select_atoms(\"protein and backbone\")\n", + " mob_prot = mob.select_atoms(\"protein and backbone\")\n", + " \n", + " # Perform alignment in-place\n", + " align.alignto(mob_prot, ref_prot)\n", + " aligned_protein = mob.select_atoms(\"all\")\n", + " aligned_protein.write(f'aligned/{ligand}.pdb')\n", + "\n", + " # For the reference pdb, save the protein alone\n", + " if pdb == reference_pdb:\n", + " full_protein = mob.select_atoms(\"protein\")\n", + " full_protein.write(f'protein.pdb')" + ] + }, + { + "cell_type": "markdown", + "id": "6056e755-0da0-4712-b4ae-7a721c94851d", + "metadata": {}, + "source": [ + "### Protonate the protein with Proteins.plus\n", + "\n", + "In this example, we use the web server proteins.plus to add hydrogens to the protein.\n", + "\n", + "- Upload the `protein.pdb` file\n", + "- Choose `Protoss Hydrogen prediction` and click `Calculate`\n", + "- Download the prepared PDB file" + ] + }, + { + "cell_type": "markdown", + "id": "83f9f229-3225-4c69-9b16-f8a89b0c36d4", + "metadata": {}, + "source": [ + "### Protonate the ligands with OpenEye" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "35a7a5d3-073e-497d-aa4d-6984781dfdfd", + "metadata": {}, + "outputs": [], + "source": [ + "from openeye import oechem, oespruce, oequacpac, oeomega\n", + "\n", + "pdbs = glob.glob(\"aligned/*.pdb\")\n", + "for pdb in pdbs:\n", + " ligand_name = pdb.split('/')[1].split('.')[0]\n", + " \n", + " # 1) Load the complex\n", + " ifs = oechem.oemolistream(pdb)\n", + " complex_mol = oechem.OEMol()\n", + " oechem.OEReadMolecule(ifs, complex_mol)\n", + " ifs.close()\n", + " \n", + " # 2) Separate protein and ligand\n", + " ligand = oechem.OEMol()\n", + " protein = oechem.OEMol()\n", + " water = oechem.OEMol()\n", + " other = oechem.OEMol()\n", + " \n", + " # Split the complex\n", + " oechem.OESplitMolComplex(ligand, protein, water, other, complex_mol)\n", + " \n", + " \n", + " # 3) Protonate ligand\n", + " hopt = oechem.OEPlaceHydrogensOptions()\n", + " oechem.OEPlaceHydrogens(ligand, hopt)\n", + "\n", + " # # Assign chemistry & protonate\n", + " oechem.OEAssignHybridization(ligand)\n", + " oechem.OEAssignAromaticFlags(ligand)\n", + " oechem.OEAssignFormalCharges(ligand)\n", + " \n", + " # Add hydrogens\n", + " oequacpac.OEGetReasonableProtomer(ligand)\n", + " \n", + " ofs_ligand = oechem.oemolostream(f\"ligands_prepped/{ligand_name}.sdf\")\n", + " ligand.SetTitle(ligand_name)\n", + " oechem.OEWriteMolecule(ofs_ligand, ligand)\n", + " ofs_ligand.close()" + ] + }, + { + "cell_type": "markdown", + "id": "89e52270-514c-4b21-8179-07c7319ff468", + "metadata": {}, + "source": [ + "## 3. Run a network of binding free energy calculations using the SepTop protocol" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "id": "fc97de03", + "metadata": {}, + "outputs": [], + "source": [ + "%matplotlib inline\n", + "import gzip\n", + "import json\n", + "import logging\n", + "import pathlib\n", + "import tempfile\n", + "from openff.toolkit import (\n", + " Molecule, RDKitToolkitWrapper, AmberToolsToolkitWrapper\n", + ")\n", + "from openff.toolkit.utils.toolkit_registry import (\n", + " toolkit_registry_manager, ToolkitRegistry\n", + ")\n", + "from openff.units import unit\n", + "from kartograf.atom_aligner import align_mol_shape\n", + "from kartograf import KartografAtomMapper\n", + "import gufe\n", + "from gufe.tokenization import JSON_HANDLER\n", + "import openfe\n", + "from openfe.protocols.openmm_md.plain_md_methods import PlainMDProtocol\n", + "from openfe.protocols.openmm_septop import SepTopProtocol\n", + "from openfe.protocols.openmm_septop import (\n", + " SepTopSolventSetupUnit,\n", + " SepTopComplexSetupUnit,\n", + ")\n", + "from rdkit import Chem" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "id": "88bbbbca-4f6a-4496-bea9-f621ffd8183e", + "metadata": {}, + "outputs": [], + "source": [ + "ligand_sdfs = glob.glob('ligands_prepped/*sdf')\n", + "ligands = []\n", + "for l in ligand_sdfs:\n", + " ligand = openfe.SmallMoleculeComponent.from_sdf_file(l)\n", + " ligands.append(ligand)" + ] + }, + { + "cell_type": "code", + "execution_count": 19, + "id": "5a042c94-7c09-40fb-aa76-41c07d9de2ea", + "metadata": {}, + "outputs": [], + "source": [ + "protein = \"protein_prepped.pdb\"" + ] + }, + { + "cell_type": "code", + "execution_count": 20, + "id": "30373ee0-d777-4828-b89a-5a8fdbc56c41", + "metadata": {}, + "outputs": [], + "source": [ + "solvent = openfe.SolventComponent()" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "id": "99e2ad54-e42a-4afb-b023-e354d629fc31", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Generating charges: 100%|███████████████████████| 10/10 [03:58<00:00, 23.87s/it]\n" + ] + } + ], + "source": [ + "from openfe.protocols.openmm_utils.omm_settings import OpenFFPartialChargeSettings\n", + "from openfe.protocols.openmm_utils.charge_generation import bulk_assign_partial_charges\n", + "\n", + "charge_settings = OpenFFPartialChargeSettings(partial_charge_method=\"am1bcc\", off_toolkit_backend=\"ambertools\")\n", + "\n", + "charged_ligands = bulk_assign_partial_charges(\n", + " molecules=ligands,\n", + " overwrite=False,\n", + " method=charge_settings.partial_charge_method,\n", + " toolkit_backend=charge_settings.off_toolkit_backend,\n", + " generate_n_conformers=charge_settings.number_of_conformers,\n", + " nagl_model=charge_settings.nagl_model,\n", + " processors=1\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "id": "464e1ae8-304f-4a79-b4e4-89043ceb8970", + "metadata": {}, + "outputs": [], + "source": [ + "mapper = openfe.LomapAtomMapper(max3d=1.0, element_change=False)\n", + "scorer = openfe.lomap_scorers.default_lomap_score\n", + "network_planner = openfe.ligand_network_planning.generate_minimal_spanning_network" + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "id": "c5e0bf25-b618-421f-bc41-32061806b116", + "metadata": {}, + "outputs": [], + "source": [ + "ligand_network = network_planner(\n", + " ligands=charged_ligands,\n", + " mappers=[mapper],\n", + " scorer=scorer\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "id": "670e9b07-9ae2-47de-b18b-f1b77d4cc299", + "metadata": {}, + "outputs": [], + "source": [ + "comp = openfe.ProteinComponent.from_pdb_file(protein, name=\"tyk2\")" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "id": "fa125c2b-50ca-42e5-a661-78fa3ad7394e", + "metadata": {}, + "outputs": [], + "source": [ + "settings = SepTopProtocol.default_settings()\n", + "settings.protocol_repeats = 1\n", + "\n", + "# Fast settings\n", + "settings.complex_solvation_settings.box_shape = 'dodecahedron'\n", + "settings.solvent_solvation_settings.box_shape = 'dodecahedron'\n", + "settings.complex_simulation_settings.time_per_iteration = 2.5 * unit.ps\n", + "settings.solvent_simulation_settings.time_per_iteration = 2.5 * unit.ps\n", + "settings.forcefield_settings.nonbonded_cutoff = 0.9 * unit.nanometer\n", + "settings.complex_solvation_settings.solvent_padding = 1 * unit.nanometer\n", + "settings.solvent_solvation_settings.solvent_padding = 1.5 * unit.nanometer\n", + "\n", + "settings.engine_settings.compute_platform = 'CUDA'" + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "id": "f7bc364a-aa5e-4e17-ace2-6476cb98fe97", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "{'alchemical_settings': {},\n", + " 'complex_equil_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'checkpoint.chk',\n", + " 'equil_npt_structure': 'equil_npt',\n", + " 'equil_nvt_structure': None,\n", + " 'forcefield_cache': 'db.json',\n", + " 'log_output': 'equil_simulation',\n", + " 'minimized_structure': 'minimized',\n", + " 'output_indices': 'all',\n", + " 'preminimized_structure': 'system',\n", + " 'production_trajectory_filename': 'equil_production',\n", + " 'trajectory_write_interval': },\n", + " 'complex_equil_simulation_settings': {'equilibration_length': ,\n", + " 'equilibration_length_nvt': ,\n", + " 'minimization_steps': 5000,\n", + " 'production_length': },\n", + " 'complex_lambda_settings': {'lambda_elec_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.25,\n", + " 0.5,\n", + " 0.75,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0],\n", + " 'lambda_elec_B': [1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 0.75,\n", + " 0.5,\n", + " 0.25,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0],\n", + " 'lambda_restraints_A': [0.0,\n", + " 0.05,\n", + " 0.1,\n", + " 0.3,\n", + " 0.5,\n", + " 0.75,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0],\n", + " 'lambda_restraints_B': [1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 0.75,\n", + " 0.5,\n", + " 0.3,\n", + " 0.1,\n", + " 0.05,\n", + " 0.0],\n", + " 'lambda_vdw_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.14285714285714285,\n", + " 0.2857142857142857,\n", + " 0.42857142857142855,\n", + " 0.5714285714285714,\n", + " 0.7142857142857142,\n", + " 0.8571428571428571,\n", + " 1.0],\n", + " 'lambda_vdw_B': [1.0,\n", + " 0.8571428571428572,\n", + " 0.7142857142857143,\n", + " 0.5714285714285714,\n", + " 0.4285714285714286,\n", + " 0.2857142857142858,\n", + " 0.1428571428571429,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0]},\n", + " 'complex_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'complex_checkpoint.nc',\n", + " 'forcefield_cache': 'db.json',\n", + " 'output_filename': 'complex.nc',\n", + " 'output_indices': 'not water',\n", + " 'output_structure': 'alchemical_system.pdb',\n", + " 'positions_write_frequency': ,\n", + " 'velocities_write_frequency': None},\n", + " 'complex_restraint_settings': {'K_phiA': ,\n", + " 'K_phiB': ,\n", + " 'K_phiC': ,\n", + " 'K_r': ,\n", + " 'K_thetaA': ,\n", + " 'K_thetaB': ,\n", + " 'anchor_finding_strategy': 'bonded',\n", + " 'dssp_filter': True,\n", + " 'guest_atoms': None,\n", + " 'host_atoms': None,\n", + " 'host_max_distance': ,\n", + " 'host_min_distance': ,\n", + " 'host_selection': 'backbone',\n", + " 'rmsf_cutoff': },\n", + " 'complex_simulation_settings': {'early_termination_target_error': ,\n", + " 'equilibration_length': ,\n", + " 'minimization_steps': 5000,\n", + " 'n_replicas': 19,\n", + " 'production_length': ,\n", + " 'real_time_analysis_interval': ,\n", + " 'real_time_analysis_minimum_time': ,\n", + " 'sampler_method': 'repex',\n", + " 'sams_flatness_criteria': 'logZ-flatness',\n", + " 'sams_gamma0': 1.0,\n", + " 'time_per_iteration': },\n", + " 'complex_solvation_settings': {'box_shape': 'dodecahedron',\n", + " 'box_size': None,\n", + " 'box_vectors': None,\n", + " 'number_of_solvent_molecules': None,\n", + " 'solvent_model': 'tip3p',\n", + " 'solvent_padding': },\n", + " 'engine_settings': {'compute_platform': 'CUDA', 'gpu_device_index': None},\n", + " 'forcefield_settings': {'constraints': 'hbonds',\n", + " 'forcefields': ['amber/ff14SB.xml',\n", + " 'amber/tip3p_standard.xml',\n", + " 'amber/tip3p_HFE_multivalent.xml',\n", + " 'amber/phosaa10.xml'],\n", + " 'hydrogen_mass': 3.0,\n", + " 'nonbonded_cutoff': ,\n", + " 'nonbonded_method': 'PME',\n", + " 'rigid_water': True,\n", + " 'small_molecule_forcefield': 'openff-2.2.1'},\n", + " 'integrator_settings': {'barostat_frequency': ,\n", + " 'constraint_tolerance': 1e-06,\n", + " 'langevin_collision_rate': ,\n", + " 'n_restart_attempts': 20,\n", + " 'reassign_velocities': False,\n", + " 'remove_com': False,\n", + " 'timestep': },\n", + " 'partial_charge_settings': {'nagl_model': None,\n", + " 'number_of_conformers': None,\n", + " 'off_toolkit_backend': 'ambertools',\n", + " 'partial_charge_method': 'am1bcc'},\n", + " 'protocol_repeats': 1,\n", + " 'solvent_equil_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'checkpoint.chk',\n", + " 'equil_npt_structure': 'equil_npt',\n", + " 'equil_nvt_structure': None,\n", + " 'forcefield_cache': 'db.json',\n", + " 'log_output': 'equil_simulation',\n", + " 'minimized_structure': 'minimized',\n", + " 'output_indices': 'all',\n", + " 'preminimized_structure': 'system',\n", + " 'production_trajectory_filename': 'equil_npt',\n", + " 'trajectory_write_interval': },\n", + " 'solvent_equil_simulation_settings': {'equilibration_length': ,\n", + " 'equilibration_length_nvt': ,\n", + " 'minimization_steps': 5000,\n", + " 'production_length': },\n", + " 'solvent_lambda_settings': {'lambda_elec_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.125,\n", + " 0.25,\n", + " 0.375,\n", + " 0.5,\n", + " 0.625,\n", + " 0.75,\n", + " 0.875,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0],\n", + " 'lambda_elec_B': [1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 0.875,\n", + " 0.75,\n", + " 0.625,\n", + " 0.5,\n", + " 0.375,\n", + " 0.25,\n", + " 0.125,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0],\n", + " 'lambda_restraints_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0],\n", + " 'lambda_restraints_B': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0],\n", + " 'lambda_vdw_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.15,\n", + " 0.23,\n", + " 0.3,\n", + " 0.4,\n", + " 0.52,\n", + " 0.64,\n", + " 0.76,\n", + " 0.88,\n", + " 1.0],\n", + " 'lambda_vdw_B': [1.0,\n", + " 0.85,\n", + " 0.77,\n", + " 0.7,\n", + " 0.6,\n", + " 0.48,\n", + " 0.36,\n", + " 0.24,\n", + " 0.12,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0]},\n", + " 'solvent_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'solvent_checkpoint.nc',\n", + " 'forcefield_cache': 'db.json',\n", + " 'output_filename': 'solvent.nc',\n", + " 'output_indices': 'not water',\n", + " 'output_structure': 'alchemical_system.pdb',\n", + " 'positions_write_frequency': ,\n", + " 'velocities_write_frequency': None},\n", + " 'solvent_restraint_settings': {'central_atoms_only': False,\n", + " 'guest_atoms': None,\n", + " 'host_atoms': None,\n", + " 'spring_constant': },\n", + " 'solvent_simulation_settings': {'early_termination_target_error': ,\n", + " 'equilibration_length': ,\n", + " 'minimization_steps': 5000,\n", + " 'n_replicas': 27,\n", + " 'production_length': ,\n", + " 'real_time_analysis_interval': ,\n", + " 'real_time_analysis_minimum_time': ,\n", + " 'sampler_method': 'repex',\n", + " 'sams_flatness_criteria': 'logZ-flatness',\n", + " 'sams_gamma0': 1.0,\n", + " 'time_per_iteration': },\n", + " 'solvent_solvation_settings': {'box_shape': 'dodecahedron',\n", + " 'box_size': None,\n", + " 'box_vectors': None,\n", + " 'number_of_solvent_molecules': None,\n", + " 'solvent_model': 'tip3p',\n", + " 'solvent_padding': },\n", + " 'thermo_settings': {'ph': None,\n", + " 'pressure': ,\n", + " 'redox_potential': None,\n", + " 'temperature': }}\n" + ] + } + ], + "source": [ + "settings" + ] + }, + { + "cell_type": "markdown", + "id": "340d1a6e", + "metadata": {}, + "source": [ + "### Creating a `Protocol`\n", + "\n", + "The actual simulation is performed by a `Protocol`. We'll use an OpenMM-based hybrid topology relative free energy `Protocol`." + ] + }, + { + "cell_type": "code", + "execution_count": 27, + "id": "3f394a0d", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "protocol = SepTopProtocol(settings=settings)" + ] + }, + { + "cell_type": "markdown", + "id": "1e29d1c8", + "metadata": {}, + "source": [ + "## Creating the `AlchemicalNetwork`\n", + "\n", + "The `AlchemicalNetwork` contains all the information needed to run the entire campaign. It consists of a `Transformation` for each leg of the campaign. We'll loop over all the mappings, and then loop over the legs. In that inner loop, we'll make each transformation." + ] + }, + { + "cell_type": "code", + "execution_count": 28, + "id": "66666a80", + "metadata": {}, + "outputs": [], + "source": [ + "transformations = []\n", + "for edge in ligand_network.edges:\n", + " # use the solvent and protein created above\n", + " sysA_dict = {'ligand': edge.componentA,\n", + " 'protein': comp,\n", + " 'solvent': solvent}\n", + " sysB_dict = {'ligand': edge.componentB,\n", + " 'protein': comp,\n", + " 'solvent': solvent}\n", + " \n", + " # we don't have to name objects, but it can make things (like filenames) more convenient\n", + " sysA = openfe.ChemicalSystem(sysA_dict, name=f\"{edge.componentA.name}\")\n", + " sysB = openfe.ChemicalSystem(sysB_dict, name=f\"{edge.componentB.name}\")\n", + " \n", + " prefix = \"rbfe_\" # prefix is only to exactly reproduce CLI\n", + " \n", + " transformation = openfe.Transformation(\n", + " stateA=sysA,\n", + " stateB=sysB,\n", + " mapping=None,\n", + " protocol=protocol, # use protocol created above\n", + " name=f\"{prefix}{sysA.name}_{sysB.name}\"\n", + " )\n", + " transformations.append(transformation)\n", + "\n", + "network = openfe.AlchemicalNetwork(transformations)" + ] + }, + { + "cell_type": "markdown", + "id": "6c61fe36", + "metadata": {}, + "source": [ + "## Writing the `AlchemicalNetwork` to disk\n", + "\n", + "We'll write out each transformation to disk, so that they can be run independently using the `openfe quickrun` command:" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "id": "d6cebd9a", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "import pathlib\n", + "# first we create the directory\n", + "transformation_dir = pathlib.Path(\"transformations_septop_tyk2\")\n", + "transformation_dir.mkdir(exist_ok=True)\n", + "\n", + "# then we write out each transformation\n", + "for transformation in network.edges:\n", + " transformation.to_json(transformation_dir / f\"{transformation.name}.json\")" + ] + }, + { + "cell_type": "markdown", + "id": "c30e8ae2", + "metadata": {}, + "source": [ + "Each of these individual .json files contains a Transformation, which contains all the information to run the calculation. These could be farmed out as individual jobs on a HPC cluster.\n", + "\n", + "You can run the SepTop simulation from the CLI by using the openfe quickrun command. It takes a transformation JSON as input, and the flags -o to give the final output JSON file and -d for the directory where simulation results should be stored. For example,\n", + "\n", + "`openfe quickrun path/to/transformation.json -o results.json -d working-directory`\n", + "\n", + "where path/to/transformation.json is the path to one of the files created above." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "ec1ce3bb-04a4-4ef9-89a8-d32c3819be86", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.10" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} From 3b06de518212345ddcc7e925c01f9ebf55c33968 Mon Sep 17 00:00:00 2001 From: hannahbaumann Date: Thu, 20 Nov 2025 14:30:13 +0100 Subject: [PATCH 2/7] Add openfold3 outputs --- .../lig_ejm_31_seed_42_sample_1_model.pdb | 3090 ++++++++++++++++ .../lig_ejm_42_seed_42_sample_1_model.pdb | 3092 ++++++++++++++++ .../lig_ejm_43_seed_42_sample_1_model.pdb | 3094 ++++++++++++++++ .../lig_ejm_46_seed_42_sample_1_model.pdb | 3094 ++++++++++++++++ .../lig_ejm_47_seed_42_sample_1_model.pdb | 3096 ++++++++++++++++ .../lig_ejm_48_seed_42_sample_1_model.pdb | 3098 +++++++++++++++++ .../lig_ejm_50_seed_42_sample_1_model.pdb | 3092 ++++++++++++++++ .../lig_jmc_23_seed_42_sample_1_model.pdb | 3096 ++++++++++++++++ .../lig_jmc_27_seed_42_sample_1_model.pdb | 3096 ++++++++++++++++ .../lig_jmc_28_seed_42_sample_1_model.pdb | 3096 ++++++++++++++++ cookbook/of3_and_septop.ipynb | 1049 ++++++ 11 files changed, 31993 insertions(+) create mode 100644 cookbook/assets/of3_output/lig_ejm_31_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_ejm_42_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_ejm_43_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_ejm_46_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_ejm_47_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_ejm_48_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_ejm_50_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_jmc_23_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb create mode 100644 cookbook/assets/of3_output/lig_jmc_28_seed_42_sample_1_model.pdb create mode 100644 cookbook/of3_and_septop.ipynb diff --git a/cookbook/assets/of3_output/lig_ejm_31_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_31_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..201d6b1 --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_31_seed_42_sample_1_model.pdb @@ -0,0 +1,3090 @@ +ATOM 1 N MET A 1 45.136 -11.244 -11.680 1.00 34.51 N +ATOM 2 CA MET A 1 43.710 -11.119 -12.192 1.00 30.72 C +ATOM 3 C MET A 1 42.819 -10.852 -11.008 1.00 31.70 C +ATOM 4 O MET A 1 42.749 -11.666 -10.069 1.00 29.31 O +ATOM 5 CB MET A 1 43.312 -12.444 -12.874 1.00 28.70 C +ATOM 6 CG MET A 1 44.056 -12.627 -14.215 1.00 27.06 C +ATOM 7 SD MET A 1 43.777 -14.237 -14.972 1.00 23.82 S +ATOM 8 CE MET A 1 44.476 -13.950 -16.613 1.00 21.57 C +ATOM 9 N GLY A 2 42.242 -9.673 -10.957 1.00 34.00 N +ATOM 10 CA GLY A 2 41.240 -9.372 -9.900 1.00 31.81 C +ATOM 11 C GLY A 2 40.059 -10.311 -10.115 1.00 34.18 C +ATOM 12 O GLY A 2 39.626 -10.554 -11.231 1.00 32.85 O +ATOM 13 N SER A 3 39.529 -10.870 -9.060 1.00 42.22 N +ATOM 14 CA SER A 3 38.264 -11.596 -9.121 1.00 41.52 C +ATOM 15 C SER A 3 37.250 -10.631 -9.715 1.00 42.78 C +ATOM 16 O SER A 3 37.195 -9.485 -9.226 1.00 40.89 O +ATOM 17 CB SER A 3 37.814 -12.035 -7.730 1.00 37.36 C +ATOM 18 OG SER A 3 38.776 -12.923 -7.186 1.00 35.27 O +ATOM 19 N PRO A 4 36.436 -11.025 -10.707 1.00 46.84 N +ATOM 20 CA PRO A 4 35.369 -10.166 -11.183 1.00 45.10 C +ATOM 21 C PRO A 4 34.533 -9.834 -9.978 1.00 47.43 C +ATOM 22 O PRO A 4 34.174 -10.737 -9.223 1.00 43.97 O +ATOM 23 CB PRO A 4 34.635 -10.995 -12.251 1.00 39.98 C +ATOM 24 CG PRO A 4 35.002 -12.440 -11.897 1.00 39.24 C +ATOM 25 CD PRO A 4 36.374 -12.350 -11.294 1.00 40.11 C +ATOM 26 N ALA A 5 34.322 -8.542 -9.769 1.00 54.31 N +ATOM 27 CA ALA A 5 33.514 -8.091 -8.646 1.00 54.13 C +ATOM 28 C ALA A 5 32.167 -8.817 -8.730 1.00 56.33 C +ATOM 29 O ALA A 5 31.452 -8.690 -9.709 1.00 52.79 O +ATOM 30 CB ALA A 5 33.371 -6.575 -8.717 1.00 47.68 C +ATOM 31 N SER A 6 31.883 -9.631 -7.744 1.00 67.88 N +ATOM 32 CA SER A 6 30.645 -10.380 -7.706 1.00 68.64 C +ATOM 33 C SER A 6 29.511 -9.377 -7.705 1.00 70.28 C +ATOM 34 O SER A 6 29.493 -8.487 -6.861 1.00 65.82 O +ATOM 35 CB SER A 6 30.620 -11.251 -6.455 1.00 62.81 C +ATOM 36 OG SER A 6 29.363 -11.930 -6.365 1.00 56.11 O +ATOM 37 N ASP A 7 28.594 -9.519 -8.626 1.00 78.16 N +ATOM 38 CA ASP A 7 27.421 -8.659 -8.683 1.00 79.67 C +ATOM 39 C ASP A 7 26.669 -8.826 -7.371 1.00 81.50 C +ATOM 40 O ASP A 7 26.181 -9.926 -7.083 1.00 80.43 O +ATOM 41 CB ASP A 7 26.586 -9.007 -9.922 1.00 76.56 C +ATOM 42 CG ASP A 7 25.287 -8.180 -10.029 1.00 73.79 C +ATOM 43 OD1 ASP A 7 24.967 -7.403 -9.107 1.00 66.08 O +ATOM 44 OD2 ASP A 7 24.596 -8.351 -11.048 1.00 68.26 O +ATOM 45 N PRO A 8 26.530 -7.758 -6.560 1.00 85.52 N +ATOM 46 CA PRO A 8 25.924 -7.841 -5.245 1.00 86.03 C +ATOM 47 C PRO A 8 24.410 -8.144 -5.301 1.00 87.02 C +ATOM 48 O PRO A 8 23.828 -8.484 -4.282 1.00 84.41 O +ATOM 49 CB PRO A 8 26.208 -6.483 -4.594 1.00 82.59 C +ATOM 50 CG PRO A 8 26.287 -5.527 -5.776 1.00 79.67 C +ATOM 51 CD PRO A 8 26.942 -6.374 -6.842 1.00 82.85 C +ATOM 52 N THR A 9 23.815 -8.054 -6.476 1.00 89.50 N +ATOM 53 CA THR A 9 22.415 -8.413 -6.708 1.00 90.00 C +ATOM 54 C THR A 9 22.218 -9.899 -7.036 1.00 90.46 C +ATOM 55 O THR A 9 21.082 -10.350 -7.144 1.00 88.62 O +ATOM 56 CB THR A 9 21.797 -7.543 -7.806 1.00 88.51 C +ATOM 57 OG1 THR A 9 22.255 -7.881 -9.082 1.00 86.06 O +ATOM 58 CG2 THR A 9 22.031 -6.055 -7.578 1.00 86.02 C +ATOM 59 N VAL A 10 23.267 -10.674 -7.185 1.00 91.68 N +ATOM 60 CA VAL A 10 23.179 -12.115 -7.415 1.00 91.84 C +ATOM 61 C VAL A 10 23.349 -12.855 -6.103 1.00 92.35 C +ATOM 62 O VAL A 10 24.451 -12.946 -5.553 1.00 91.36 O +ATOM 63 CB VAL A 10 24.188 -12.581 -8.477 1.00 90.44 C +ATOM 64 CG1 VAL A 10 23.917 -11.912 -9.814 1.00 85.58 C +ATOM 65 CG2 VAL A 10 24.093 -14.096 -8.694 1.00 85.66 C +ATOM 66 N PHE A 11 22.290 -13.444 -5.639 1.00 92.54 N +ATOM 67 CA PHE A 11 22.300 -14.275 -4.441 1.00 92.84 C +ATOM 68 C PHE A 11 22.430 -15.742 -4.805 1.00 92.86 C +ATOM 69 O PHE A 11 21.761 -16.272 -5.686 1.00 92.20 O +ATOM 70 CB PHE A 11 21.012 -14.012 -3.637 1.00 92.94 C +ATOM 71 CG PHE A 11 21.045 -12.686 -2.892 1.00 93.77 C +ATOM 72 CD1 PHE A 11 21.257 -12.663 -1.502 1.00 92.89 C +ATOM 73 CD2 PHE A 11 20.890 -11.478 -3.588 1.00 92.68 C +ATOM 74 CE1 PHE A 11 21.317 -11.441 -0.816 1.00 92.10 C +ATOM 75 CE2 PHE A 11 20.956 -10.240 -2.907 1.00 92.58 C +ATOM 76 CZ PHE A 11 21.170 -10.231 -1.516 1.00 92.69 C +ATOM 77 N HIS A 12 23.322 -16.436 -4.113 1.00 91.64 N +ATOM 78 CA HIS A 12 23.552 -17.853 -4.357 1.00 91.53 C +ATOM 79 C HIS A 12 22.753 -18.706 -3.388 1.00 91.82 C +ATOM 80 O HIS A 12 22.932 -18.634 -2.173 1.00 90.76 O +ATOM 81 CB HIS A 12 25.043 -18.165 -4.282 1.00 90.26 C +ATOM 82 CG HIS A 12 25.831 -17.482 -5.347 1.00 88.49 C +ATOM 83 ND1 HIS A 12 25.852 -17.840 -6.689 1.00 80.46 N1+ +ATOM 84 CD2 HIS A 12 26.648 -16.405 -5.199 1.00 79.68 C +ATOM 85 CE1 HIS A 12 26.659 -16.985 -7.320 1.00 79.09 C +ATOM 86 NE2 HIS A 12 27.167 -16.101 -6.450 1.00 80.24 N +ATOM 87 N LYS A 13 21.945 -19.592 -3.912 1.00 90.54 N +ATOM 88 CA LYS A 13 21.059 -20.471 -3.137 1.00 90.76 C +ATOM 89 C LYS A 13 21.786 -21.276 -2.052 1.00 91.35 C +ATOM 90 O LYS A 13 21.229 -21.495 -0.988 1.00 89.86 O +ATOM 91 CB LYS A 13 20.274 -21.360 -4.107 1.00 88.56 C +ATOM 92 CG LYS A 13 19.091 -22.083 -3.429 1.00 77.91 C +ATOM 93 CD LYS A 13 18.188 -22.724 -4.487 1.00 73.61 C +ATOM 94 CE LYS A 13 16.915 -23.314 -3.854 1.00 67.24 C +ATOM 95 NZ LYS A 13 15.861 -23.605 -4.859 1.00 60.67 N1+ +ATOM 96 N ARG A 14 23.019 -21.648 -2.293 1.00 90.05 N +ATOM 97 CA ARG A 14 23.856 -22.382 -1.315 1.00 89.74 C +ATOM 98 C ARG A 14 24.143 -21.604 -0.041 1.00 90.18 C +ATOM 99 O ARG A 14 24.448 -22.260 0.978 1.00 88.47 O +ATOM 100 CB ARG A 14 25.158 -22.826 -2.001 1.00 88.15 C +ATOM 101 CG ARG A 14 26.086 -21.662 -2.381 1.00 82.07 C +ATOM 102 CD ARG A 14 27.374 -22.169 -3.042 1.00 78.63 C +ATOM 103 NE ARG A 14 28.250 -21.071 -3.436 1.00 73.38 N +ATOM 104 CZ ARG A 14 28.271 -20.449 -4.614 1.00 68.04 C +ATOM 105 NH1 ARG A 14 27.461 -20.782 -5.569 1.00 62.33 N +ATOM 106 NH2 ARG A 14 29.133 -19.511 -4.824 1.00 61.67 N1+ +ATOM 107 N TYR A 15 24.078 -20.282 -0.067 1.00 91.27 N +ATOM 108 CA TYR A 15 24.317 -19.438 1.100 1.00 91.52 C +ATOM 109 C TYR A 15 23.014 -18.950 1.761 1.00 91.87 C +ATOM 110 O TYR A 15 23.063 -18.293 2.792 1.00 90.91 O +ATOM 111 CB TYR A 15 25.179 -18.248 0.681 1.00 91.05 C +ATOM 112 CG TYR A 15 26.508 -18.607 0.054 1.00 90.86 C +ATOM 113 CD1 TYR A 15 27.354 -19.520 0.699 1.00 88.39 C +ATOM 114 CD2 TYR A 15 26.908 -17.996 -1.146 1.00 87.83 C +ATOM 115 CE1 TYR A 15 28.604 -19.824 0.129 1.00 86.60 C +ATOM 116 CE2 TYR A 15 28.162 -18.296 -1.712 1.00 87.34 C +ATOM 117 CZ TYR A 15 28.998 -19.213 -1.076 1.00 87.65 C +ATOM 118 OH TYR A 15 30.244 -19.508 -1.604 1.00 85.56 O +ATOM 119 N LEU A 16 21.876 -19.274 1.181 1.00 91.99 N +ATOM 120 CA LEU A 16 20.572 -18.985 1.749 1.00 92.36 C +ATOM 121 C LEU A 16 20.132 -20.116 2.688 1.00 92.27 C +ATOM 122 O LEU A 16 19.807 -21.214 2.254 1.00 91.08 O +ATOM 123 CB LEU A 16 19.545 -18.751 0.625 1.00 91.91 C +ATOM 124 CG LEU A 16 19.663 -17.386 -0.071 1.00 90.27 C +ATOM 125 CD1 LEU A 16 18.741 -17.346 -1.303 1.00 89.20 C +ATOM 126 CD2 LEU A 16 19.205 -16.236 0.849 1.00 88.59 C +ATOM 127 N LYS A 17 20.036 -19.790 3.967 1.00 92.60 N +ATOM 128 CA LYS A 17 19.555 -20.729 5.004 1.00 92.30 C +ATOM 129 C LYS A 17 18.155 -20.280 5.429 1.00 92.45 C +ATOM 130 O LYS A 17 18.006 -19.241 6.066 1.00 91.33 O +ATOM 131 CB LYS A 17 20.530 -20.723 6.178 1.00 90.90 C +ATOM 132 CG LYS A 17 21.893 -21.294 5.762 1.00 84.58 C +ATOM 133 CD LYS A 17 22.929 -21.165 6.886 1.00 80.90 C +ATOM 134 CE LYS A 17 24.303 -21.608 6.363 1.00 75.72 C +ATOM 135 NZ LYS A 17 25.412 -21.199 7.248 1.00 67.01 N1+ +ATOM 136 N LYS A 18 17.159 -21.046 5.091 1.00 91.90 N +ATOM 137 CA LYS A 18 15.783 -20.744 5.489 1.00 91.92 C +ATOM 138 C LYS A 18 15.633 -20.822 7.013 1.00 91.89 C +ATOM 139 O LYS A 18 16.046 -21.796 7.624 1.00 90.87 O +ATOM 140 CB LYS A 18 14.806 -21.692 4.785 1.00 91.20 C +ATOM 141 CG LYS A 18 13.349 -21.299 5.071 1.00 88.17 C +ATOM 142 CD LYS A 18 12.344 -22.198 4.308 1.00 86.18 C +ATOM 143 CE LYS A 18 10.946 -21.708 4.688 1.00 82.07 C +ATOM 144 NZ LYS A 18 9.852 -22.435 4.008 1.00 77.04 N1+ +ATOM 145 N ILE A 19 14.966 -19.794 7.562 1.00 92.11 N +ATOM 146 CA ILE A 19 14.668 -19.699 8.991 1.00 92.15 C +ATOM 147 C ILE A 19 13.197 -20.020 9.239 1.00 92.22 C +ATOM 148 O ILE A 19 12.878 -20.910 10.018 1.00 91.48 O +ATOM 149 CB ILE A 19 15.065 -18.315 9.544 1.00 91.60 C +ATOM 150 CG1 ILE A 19 16.583 -18.072 9.331 1.00 89.67 C +ATOM 151 CG2 ILE A 19 14.685 -18.196 11.025 1.00 88.74 C +ATOM 152 CD1 ILE A 19 17.040 -16.670 9.739 1.00 84.73 C +ATOM 153 N ARG A 20 12.283 -19.311 8.564 1.00 90.14 N +ATOM 154 CA ARG A 20 10.839 -19.513 8.725 1.00 89.67 C +ATOM 155 C ARG A 20 10.059 -18.916 7.562 1.00 90.09 C +ATOM 156 O ARG A 20 10.573 -18.065 6.851 1.00 88.96 O +ATOM 157 CB ARG A 20 10.363 -18.907 10.052 1.00 88.42 C +ATOM 158 CG ARG A 20 10.552 -17.374 10.131 1.00 84.43 C +ATOM 159 CD ARG A 20 10.093 -16.837 11.499 1.00 81.54 C +ATOM 160 NE ARG A 20 10.161 -15.375 11.527 1.00 78.41 N +ATOM 161 CZ ARG A 20 9.995 -14.586 12.572 1.00 75.87 C +ATOM 162 NH1 ARG A 20 9.778 -15.062 13.751 1.00 71.66 N +ATOM 163 NH2 ARG A 20 10.056 -13.291 12.435 1.00 70.93 N1+ +ATOM 164 N ASP A 21 8.809 -19.291 7.436 1.00 90.49 N +ATOM 165 CA ASP A 21 7.884 -18.611 6.539 1.00 90.83 C +ATOM 166 C ASP A 21 7.405 -17.293 7.179 1.00 91.04 C +ATOM 167 O ASP A 21 7.171 -17.226 8.382 1.00 89.92 O +ATOM 168 CB ASP A 21 6.737 -19.548 6.186 1.00 89.80 C +ATOM 169 CG ASP A 21 7.225 -20.775 5.428 1.00 87.04 C +ATOM 170 OD1 ASP A 21 8.157 -20.662 4.610 1.00 82.42 O +ATOM 171 OD2 ASP A 21 6.682 -21.880 5.629 1.00 80.66 O +ATOM 172 N LEU A 22 7.259 -16.279 6.353 1.00 91.16 N +ATOM 173 CA LEU A 22 6.738 -14.968 6.752 1.00 91.23 C +ATOM 174 C LEU A 22 5.285 -14.774 6.316 1.00 90.98 C +ATOM 175 O LEU A 22 4.544 -14.055 6.967 1.00 90.05 O +ATOM 176 CB LEU A 22 7.631 -13.863 6.158 1.00 91.64 C +ATOM 177 CG LEU A 22 9.075 -13.831 6.672 1.00 92.31 C +ATOM 178 CD1 LEU A 22 9.846 -12.719 5.974 1.00 91.74 C +ATOM 179 CD2 LEU A 22 9.147 -13.588 8.186 1.00 91.28 C +ATOM 180 N GLY A 23 4.881 -15.398 5.233 1.00 85.84 N +ATOM 181 CA GLY A 23 3.523 -15.359 4.720 1.00 84.99 C +ATOM 182 C GLY A 23 3.435 -15.590 3.214 1.00 85.41 C +ATOM 183 O GLY A 23 4.409 -15.979 2.576 1.00 84.32 O +ATOM 184 N GLU A 24 2.276 -15.392 2.680 1.00 81.23 N +ATOM 185 CA GLU A 24 2.028 -15.467 1.244 1.00 81.26 C +ATOM 186 C GLU A 24 1.613 -14.101 0.713 1.00 81.28 C +ATOM 187 O GLU A 24 0.753 -13.426 1.280 1.00 77.96 O +ATOM 188 CB GLU A 24 0.985 -16.532 0.892 1.00 78.60 C +ATOM 189 CG GLU A 24 1.450 -17.932 1.279 1.00 73.73 C +ATOM 190 CD GLU A 24 0.612 -19.071 0.669 1.00 70.85 C +ATOM 191 OE1 GLU A 24 1.050 -20.242 0.754 1.00 60.17 O +ATOM 192 OE2 GLU A 24 -0.447 -18.766 0.072 1.00 60.09 O +ATOM 193 N GLY A 25 2.229 -13.683 -0.374 1.00 80.32 N +ATOM 194 CA GLY A 25 1.869 -12.511 -1.163 1.00 80.34 C +ATOM 195 C GLY A 25 1.279 -12.934 -2.502 1.00 82.22 C +ATOM 196 O GLY A 25 1.028 -14.117 -2.755 1.00 79.21 O +ATOM 197 N HIS A 26 1.063 -11.960 -3.392 1.00 79.26 N +ATOM 198 CA HIS A 26 0.659 -12.285 -4.753 1.00 78.71 C +ATOM 199 C HIS A 26 1.739 -13.118 -5.447 1.00 79.47 C +ATOM 200 O HIS A 26 2.928 -12.873 -5.284 1.00 76.34 O +ATOM 201 CB HIS A 26 0.339 -11.001 -5.522 1.00 75.67 C +ATOM 202 CG HIS A 26 -1.027 -11.061 -6.126 1.00 75.23 C +ATOM 203 ND1 HIS A 26 -1.330 -11.623 -7.365 1.00 62.85 N1+ +ATOM 204 CD2 HIS A 26 -2.199 -10.637 -5.554 1.00 65.36 C +ATOM 205 CE1 HIS A 26 -2.663 -11.518 -7.540 1.00 64.18 C +ATOM 206 NE2 HIS A 26 -3.223 -10.941 -6.467 1.00 64.57 N +ATOM 207 N PHE A 27 1.339 -14.100 -6.199 1.00 78.84 N +ATOM 208 CA PHE A 27 2.165 -15.047 -6.979 1.00 79.72 C +ATOM 209 C PHE A 27 3.090 -15.994 -6.205 1.00 80.03 C +ATOM 210 O PHE A 27 3.628 -16.919 -6.819 1.00 73.61 O +ATOM 211 CB PHE A 27 2.959 -14.303 -8.044 1.00 75.05 C +ATOM 212 CG PHE A 27 2.133 -13.332 -8.868 1.00 77.08 C +ATOM 213 CD1 PHE A 27 1.043 -13.805 -9.603 1.00 71.02 C +ATOM 214 CD2 PHE A 27 2.454 -11.971 -8.880 1.00 72.68 C +ATOM 215 CE1 PHE A 27 0.261 -12.915 -10.357 1.00 67.60 C +ATOM 216 CE2 PHE A 27 1.676 -11.074 -9.640 1.00 70.48 C +ATOM 217 CZ PHE A 27 0.588 -11.555 -10.372 1.00 70.43 C +ATOM 218 N GLY A 28 3.285 -15.812 -4.897 1.00 81.85 N +ATOM 219 CA GLY A 28 4.265 -16.644 -4.217 1.00 82.36 C +ATOM 220 C GLY A 28 4.267 -16.558 -2.710 1.00 83.71 C +ATOM 221 O GLY A 28 3.414 -15.943 -2.080 1.00 81.57 O +ATOM 222 N LYS A 29 5.243 -17.203 -2.150 1.00 88.24 N +ATOM 223 CA LYS A 29 5.483 -17.304 -0.721 1.00 88.72 C +ATOM 224 C LYS A 29 6.709 -16.495 -0.324 1.00 89.42 C +ATOM 225 O LYS A 29 7.733 -16.572 -1.004 1.00 87.58 O +ATOM 226 CB LYS A 29 5.646 -18.781 -0.368 1.00 86.45 C +ATOM 227 CG LYS A 29 5.608 -19.002 1.133 1.00 79.01 C +ATOM 228 CD LYS A 29 5.722 -20.500 1.448 1.00 73.91 C +ATOM 229 CE LYS A 29 5.375 -20.721 2.906 1.00 68.10 C +ATOM 230 NZ LYS A 29 5.547 -22.117 3.335 1.00 62.56 N1+ +ATOM 231 N VAL A 30 6.630 -15.759 0.768 1.00 92.02 N +ATOM 232 CA VAL A 30 7.743 -15.009 1.346 1.00 92.23 C +ATOM 233 C VAL A 30 8.251 -15.742 2.568 1.00 92.29 C +ATOM 234 O VAL A 30 7.494 -16.125 3.452 1.00 91.73 O +ATOM 235 CB VAL A 30 7.369 -13.561 1.673 1.00 91.81 C +ATOM 236 CG1 VAL A 30 6.776 -12.848 0.457 1.00 90.97 C +ATOM 237 CG2 VAL A 30 8.608 -12.766 2.112 1.00 90.88 C +ATOM 238 N SER A 31 9.552 -15.940 2.625 1.00 93.57 N +ATOM 239 CA SER A 31 10.234 -16.600 3.744 1.00 93.55 C +ATOM 240 C SER A 31 11.414 -15.766 4.216 1.00 93.76 C +ATOM 241 O SER A 31 12.078 -15.113 3.431 1.00 93.02 O +ATOM 242 CB SER A 31 10.680 -17.994 3.353 1.00 92.86 C +ATOM 243 OG SER A 31 9.589 -18.788 2.900 1.00 90.14 O +ATOM 244 N LEU A 32 11.699 -15.818 5.504 1.00 93.64 N +ATOM 245 CA LEU A 32 12.912 -15.280 6.089 1.00 93.79 C +ATOM 246 C LEU A 32 14.068 -16.257 5.851 1.00 93.81 C +ATOM 247 O LEU A 32 13.952 -17.436 6.162 1.00 93.33 O +ATOM 248 CB LEU A 32 12.684 -15.038 7.583 1.00 93.66 C +ATOM 249 CG LEU A 32 13.917 -14.508 8.352 1.00 92.99 C +ATOM 250 CD1 LEU A 32 13.587 -14.390 9.844 1.00 92.34 C +ATOM 251 CD2 LEU A 32 14.362 -13.147 7.857 1.00 92.19 C +ATOM 252 N TYR A 33 15.160 -15.731 5.362 1.00 94.03 N +ATOM 253 CA TYR A 33 16.424 -16.444 5.185 1.00 94.00 C +ATOM 254 C TYR A 33 17.565 -15.674 5.849 1.00 94.07 C +ATOM 255 O TYR A 33 17.535 -14.446 5.897 1.00 93.61 O +ATOM 256 CB TYR A 33 16.697 -16.654 3.704 1.00 93.64 C +ATOM 257 CG TYR A 33 15.882 -17.748 3.043 1.00 93.31 C +ATOM 258 CD1 TYR A 33 16.466 -18.979 2.736 1.00 92.11 C +ATOM 259 CD2 TYR A 33 14.529 -17.507 2.697 1.00 91.94 C +ATOM 260 CE1 TYR A 33 15.722 -19.989 2.089 1.00 91.06 C +ATOM 261 CE2 TYR A 33 13.780 -18.515 2.068 1.00 91.01 C +ATOM 262 CZ TYR A 33 14.374 -19.740 1.770 1.00 91.24 C +ATOM 263 OH TYR A 33 13.640 -20.732 1.127 1.00 90.18 O +ATOM 264 N CYS A 34 18.578 -16.363 6.270 1.00 93.53 N +ATOM 265 CA CYS A 34 19.903 -15.820 6.490 1.00 93.55 C +ATOM 266 C CYS A 34 20.734 -16.036 5.221 1.00 93.65 C +ATOM 267 O CYS A 34 20.852 -17.190 4.777 1.00 92.66 O +ATOM 268 CB CYS A 34 20.521 -16.494 7.710 1.00 92.41 C +ATOM 269 SG CYS A 34 22.119 -15.787 8.095 1.00 88.34 S +ATOM 270 N TYR A 35 21.315 -14.988 4.669 1.00 92.20 N +ATOM 271 CA TYR A 35 22.263 -15.076 3.572 1.00 92.17 C +ATOM 272 C TYR A 35 23.680 -14.946 4.150 1.00 91.76 C +ATOM 273 O TYR A 35 24.069 -13.856 4.561 1.00 91.00 O +ATOM 274 CB TYR A 35 21.978 -14.012 2.510 1.00 92.36 C +ATOM 275 CG TYR A 35 22.866 -14.200 1.287 1.00 93.26 C +ATOM 276 CD1 TYR A 35 22.668 -15.314 0.463 1.00 92.62 C +ATOM 277 CD2 TYR A 35 23.859 -13.257 0.973 1.00 92.70 C +ATOM 278 CE1 TYR A 35 23.465 -15.508 -0.667 1.00 92.25 C +ATOM 279 CE2 TYR A 35 24.662 -13.450 -0.162 1.00 92.32 C +ATOM 280 CZ TYR A 35 24.461 -14.561 -0.984 1.00 92.49 C +ATOM 281 OH TYR A 35 25.243 -14.744 -2.117 1.00 91.39 O +ATOM 282 N ASP A 36 24.403 -16.027 4.167 1.00 89.11 N +ATOM 283 CA ASP A 36 25.705 -16.116 4.786 1.00 89.31 C +ATOM 284 C ASP A 36 26.773 -16.625 3.808 1.00 89.02 C +ATOM 285 O ASP A 36 27.091 -17.827 3.794 1.00 87.79 O +ATOM 286 CB ASP A 36 25.574 -17.014 6.031 1.00 88.61 C +ATOM 287 CG ASP A 36 26.807 -17.032 6.917 1.00 89.45 C +ATOM 288 OD1 ASP A 36 27.749 -16.230 6.682 1.00 85.55 O +ATOM 289 OD2 ASP A 36 26.803 -17.861 7.863 1.00 84.84 O +ATOM 290 N PRO A 37 27.333 -15.759 2.949 1.00 88.04 N +ATOM 291 CA PRO A 37 28.302 -16.184 1.936 1.00 87.50 C +ATOM 292 C PRO A 37 29.669 -16.556 2.524 1.00 87.34 C +ATOM 293 O PRO A 37 30.407 -17.322 1.886 1.00 84.51 O +ATOM 294 CB PRO A 37 28.397 -15.008 0.976 1.00 85.74 C +ATOM 295 CG PRO A 37 28.012 -13.814 1.852 1.00 84.51 C +ATOM 296 CD PRO A 37 26.986 -14.382 2.799 1.00 86.91 C +ATOM 297 N THR A 38 30.001 -16.050 3.686 1.00 85.98 N +ATOM 298 CA THR A 38 31.243 -16.385 4.370 1.00 85.38 C +ATOM 299 C THR A 38 31.147 -17.659 5.230 1.00 85.19 C +ATOM 300 O THR A 38 32.183 -18.264 5.549 1.00 82.36 O +ATOM 301 CB THR A 38 31.732 -15.210 5.240 1.00 83.15 C +ATOM 302 OG1 THR A 38 30.709 -14.767 6.077 1.00 78.22 O +ATOM 303 CG2 THR A 38 32.168 -14.031 4.383 1.00 78.69 C +ATOM 304 N ASN A 39 29.934 -18.057 5.532 1.00 82.41 N +ATOM 305 CA ASN A 39 29.607 -19.245 6.302 1.00 82.02 C +ATOM 306 C ASN A 39 30.171 -19.216 7.746 1.00 82.20 C +ATOM 307 O ASN A 39 30.484 -20.253 8.327 1.00 79.02 O +ATOM 308 CB ASN A 39 29.977 -20.507 5.498 1.00 79.29 C +ATOM 309 CG ASN A 39 28.946 -21.603 5.529 1.00 77.22 C +ATOM 310 OD1 ASN A 39 27.870 -21.523 6.080 1.00 69.16 O +ATOM 311 ND2 ASN A 39 29.276 -22.710 4.903 1.00 68.65 N +ATOM 312 N ASP A 40 30.276 -18.017 8.292 1.00 81.42 N +ATOM 313 CA ASP A 40 30.820 -17.709 9.618 1.00 80.82 C +ATOM 314 C ASP A 40 29.734 -17.355 10.655 1.00 81.26 C +ATOM 315 O ASP A 40 30.055 -17.065 11.814 1.00 77.51 O +ATOM 316 CB ASP A 40 31.874 -16.630 9.479 1.00 78.75 C +ATOM 317 CG ASP A 40 31.359 -15.272 9.025 1.00 78.82 C +ATOM 318 OD1 ASP A 40 30.109 -15.112 8.878 1.00 72.55 O +ATOM 319 OD2 ASP A 40 32.194 -14.378 8.804 1.00 73.27 O +ATOM 320 N GLY A 41 28.506 -17.382 10.279 1.00 79.96 N +ATOM 321 CA GLY A 41 27.374 -17.027 11.137 1.00 79.93 C +ATOM 322 C GLY A 41 27.058 -15.547 11.219 1.00 81.64 C +ATOM 323 O GLY A 41 26.141 -15.168 11.947 1.00 78.76 O +ATOM 324 N THR A 42 27.730 -14.705 10.448 1.00 83.67 N +ATOM 325 CA THR A 42 27.491 -13.238 10.381 1.00 83.67 C +ATOM 326 C THR A 42 26.541 -12.840 9.249 1.00 84.27 C +ATOM 327 O THR A 42 26.492 -11.687 8.845 1.00 80.79 O +ATOM 328 CB THR A 42 28.809 -12.459 10.305 1.00 81.49 C +ATOM 329 OG1 THR A 42 29.451 -12.696 9.070 1.00 77.17 O +ATOM 330 CG2 THR A 42 29.750 -12.763 11.433 1.00 76.95 C +ATOM 331 N GLY A 43 25.817 -13.777 8.699 1.00 87.32 N +ATOM 332 CA GLY A 43 24.955 -13.574 7.548 1.00 87.61 C +ATOM 333 C GLY A 43 23.846 -12.543 7.743 1.00 88.63 C +ATOM 334 O GLY A 43 23.356 -12.297 8.845 1.00 86.69 O +ATOM 335 N GLU A 44 23.438 -11.958 6.647 1.00 90.72 N +ATOM 336 CA GLU A 44 22.388 -10.961 6.601 1.00 91.23 C +ATOM 337 C GLU A 44 21.006 -11.603 6.567 1.00 92.15 C +ATOM 338 O GLU A 44 20.751 -12.529 5.801 1.00 90.43 O +ATOM 339 CB GLU A 44 22.615 -10.065 5.392 1.00 88.98 C +ATOM 340 CG GLU A 44 21.613 -8.918 5.338 1.00 77.98 C +ATOM 341 CD GLU A 44 21.760 -7.981 4.138 1.00 73.69 C +ATOM 342 OE1 GLU A 44 21.059 -6.949 4.131 1.00 63.54 O +ATOM 343 OE2 GLU A 44 22.535 -8.259 3.202 1.00 60.11 O +ATOM 344 N MET A 45 20.054 -11.062 7.322 1.00 94.03 N +ATOM 345 CA MET A 45 18.648 -11.457 7.211 1.00 94.24 C +ATOM 346 C MET A 45 18.017 -10.839 5.971 1.00 94.69 C +ATOM 347 O MET A 45 18.087 -9.651 5.761 1.00 93.90 O +ATOM 348 CB MET A 45 17.890 -11.061 8.470 1.00 93.28 C +ATOM 349 CG MET A 45 18.392 -11.776 9.714 1.00 89.59 C +ATOM 350 SD MET A 45 18.214 -13.576 9.636 1.00 88.41 S +ATOM 351 CE MET A 45 19.613 -14.037 10.654 1.00 81.28 C +ATOM 352 N VAL A 46 17.390 -11.666 5.161 1.00 95.16 N +ATOM 353 CA VAL A 46 16.708 -11.262 3.934 1.00 95.23 C +ATOM 354 C VAL A 46 15.327 -11.890 3.850 1.00 95.30 C +ATOM 355 O VAL A 46 15.091 -13.003 4.303 1.00 95.01 O +ATOM 356 CB VAL A 46 17.545 -11.571 2.676 1.00 95.10 C +ATOM 357 CG1 VAL A 46 18.838 -10.770 2.668 1.00 94.68 C +ATOM 358 CG2 VAL A 46 17.869 -13.047 2.510 1.00 94.63 C +ATOM 359 N ALA A 47 14.402 -11.190 3.221 1.00 95.12 N +ATOM 360 CA ALA A 47 13.113 -11.757 2.840 1.00 94.98 C +ATOM 361 C ALA A 47 13.197 -12.273 1.403 1.00 95.04 C +ATOM 362 O ALA A 47 13.554 -11.541 0.493 1.00 94.85 O +ATOM 363 CB ALA A 47 12.020 -10.720 3.046 1.00 94.84 C +ATOM 364 N VAL A 48 12.844 -13.507 1.183 1.00 94.81 N +ATOM 365 CA VAL A 48 12.886 -14.140 -0.127 1.00 94.77 C +ATOM 366 C VAL A 48 11.480 -14.508 -0.555 1.00 94.57 C +ATOM 367 O VAL A 48 10.825 -15.313 0.099 1.00 94.21 O +ATOM 368 CB VAL A 48 13.811 -15.366 -0.130 1.00 94.72 C +ATOM 369 CG1 VAL A 48 15.221 -14.991 0.338 1.00 94.28 C +ATOM 370 CG2 VAL A 48 13.903 -15.972 -1.528 1.00 94.31 C +ATOM 371 N LYS A 49 11.041 -13.940 -1.663 1.00 92.63 N +ATOM 372 CA LYS A 49 9.769 -14.297 -2.292 1.00 92.42 C +ATOM 373 C LYS A 49 10.013 -15.259 -3.442 1.00 92.26 C +ATOM 374 O LYS A 49 10.786 -14.966 -4.351 1.00 91.74 O +ATOM 375 CB LYS A 49 9.019 -13.024 -2.718 1.00 91.99 C +ATOM 376 CG LYS A 49 7.572 -13.296 -3.156 1.00 90.97 C +ATOM 377 CD LYS A 49 6.842 -11.961 -3.419 1.00 89.71 C +ATOM 378 CE LYS A 49 5.373 -12.162 -3.795 1.00 87.70 C +ATOM 379 NZ LYS A 49 4.689 -10.880 -4.099 1.00 84.29 N1+ +ATOM 380 N ALA A 50 9.380 -16.392 -3.392 1.00 91.47 N +ATOM 381 CA ALA A 50 9.471 -17.443 -4.383 1.00 91.19 C +ATOM 382 C ALA A 50 8.122 -17.651 -5.078 1.00 91.01 C +ATOM 383 O ALA A 50 7.082 -17.742 -4.433 1.00 89.56 O +ATOM 384 CB ALA A 50 9.957 -18.726 -3.697 1.00 90.19 C +ATOM 385 N LEU A 51 8.148 -17.765 -6.395 1.00 83.34 N +ATOM 386 CA LEU A 51 6.971 -18.146 -7.169 1.00 83.34 C +ATOM 387 C LEU A 51 6.629 -19.606 -6.894 1.00 82.50 C +ATOM 388 O LEU A 51 7.521 -20.449 -6.788 1.00 80.80 O +ATOM 389 CB LEU A 51 7.284 -17.916 -8.666 1.00 82.03 C +ATOM 390 CG LEU A 51 6.081 -18.120 -9.596 1.00 79.61 C +ATOM 391 CD1 LEU A 51 6.533 -18.043 -11.046 1.00 78.52 C +ATOM 392 CD2 LEU A 51 5.004 -17.059 -9.375 1.00 77.75 C +ATOM 393 N LYS A 52 5.359 -19.930 -6.819 1.00 80.52 N +ATOM 394 CA LYS A 52 4.900 -21.321 -6.671 1.00 79.44 C +ATOM 395 C LYS A 52 5.341 -22.169 -7.870 1.00 79.14 C +ATOM 396 O LYS A 52 5.305 -21.684 -8.999 1.00 76.82 O +ATOM 397 CB LYS A 52 3.384 -21.353 -6.477 1.00 76.44 C +ATOM 398 CG LYS A 52 2.953 -20.677 -5.176 1.00 71.72 C +ATOM 399 CD LYS A 52 1.429 -20.728 -4.981 1.00 67.44 C +ATOM 400 CE LYS A 52 1.078 -20.028 -3.665 1.00 60.57 C +ATOM 401 NZ LYS A 52 -0.377 -20.044 -3.372 1.00 55.41 N1+ +ATOM 402 N ALA A 53 5.737 -23.384 -7.622 1.00 80.25 N +ATOM 403 CA ALA A 53 6.314 -24.237 -8.651 1.00 79.77 C +ATOM 404 C ALA A 53 5.323 -24.596 -9.766 1.00 79.74 C +ATOM 405 O ALA A 53 5.722 -24.743 -10.917 1.00 76.89 O +ATOM 406 CB ALA A 53 6.852 -25.504 -7.953 1.00 77.98 C +ATOM 407 N ASP A 54 4.073 -24.688 -9.446 1.00 79.03 N +ATOM 408 CA ASP A 54 2.960 -25.017 -10.347 1.00 79.15 C +ATOM 409 C ASP A 54 2.360 -23.770 -11.007 1.00 80.07 C +ATOM 410 O ASP A 54 1.347 -23.845 -11.708 1.00 76.94 O +ATOM 411 CB ASP A 54 1.906 -25.788 -9.554 1.00 76.84 C +ATOM 412 CG ASP A 54 1.288 -25.016 -8.382 1.00 76.12 C +ATOM 413 OD1 ASP A 54 1.970 -24.108 -7.839 1.00 67.74 O +ATOM 414 OD2 ASP A 54 0.144 -25.333 -7.997 1.00 68.19 O +ATOM 415 N ALA A 55 2.958 -22.595 -10.834 1.00 79.34 N +ATOM 416 CA ALA A 55 2.487 -21.355 -11.427 1.00 80.35 C +ATOM 417 C ALA A 55 2.492 -21.410 -12.956 1.00 81.05 C +ATOM 418 O ALA A 55 3.514 -21.699 -13.603 1.00 77.19 O +ATOM 419 CB ALA A 55 3.326 -20.213 -10.910 1.00 77.24 C +ATOM 420 N GLY A 56 1.355 -21.096 -13.548 1.00 78.64 N +ATOM 421 CA GLY A 56 1.189 -21.045 -14.989 1.00 78.72 C +ATOM 422 C GLY A 56 1.969 -19.911 -15.664 1.00 80.13 C +ATOM 423 O GLY A 56 2.495 -19.024 -15.008 1.00 78.91 O +ATOM 424 N PRO A 57 2.009 -19.894 -16.992 1.00 82.49 N +ATOM 425 CA PRO A 57 2.774 -18.920 -17.768 1.00 82.44 C +ATOM 426 C PRO A 57 2.406 -17.474 -17.453 1.00 83.43 C +ATOM 427 O PRO A 57 3.271 -16.608 -17.397 1.00 82.40 O +ATOM 428 CB PRO A 57 2.493 -19.237 -19.233 1.00 80.34 C +ATOM 429 CG PRO A 57 2.173 -20.720 -19.219 1.00 80.30 C +ATOM 430 CD PRO A 57 1.472 -20.917 -17.882 1.00 82.99 C +ATOM 431 N GLN A 58 1.145 -17.217 -17.179 1.00 81.97 N +ATOM 432 CA GLN A 58 0.634 -15.891 -16.845 1.00 82.40 C +ATOM 433 C GLN A 58 1.181 -15.381 -15.514 1.00 82.78 C +ATOM 434 O GLN A 58 1.643 -14.237 -15.418 1.00 80.38 O +ATOM 435 CB GLN A 58 -0.891 -15.983 -16.848 1.00 79.96 C +ATOM 436 CG GLN A 58 -1.562 -14.657 -17.151 1.00 75.59 C +ATOM 437 CD GLN A 58 -3.079 -14.843 -17.232 1.00 71.29 C +ATOM 438 OE1 GLN A 58 -3.637 -15.760 -16.678 1.00 61.00 O +ATOM 439 NE2 GLN A 58 -3.765 -13.985 -17.916 1.00 59.37 N +ATOM 440 N HIS A 59 1.237 -16.228 -14.526 1.00 83.19 N +ATOM 441 CA HIS A 59 1.845 -15.916 -13.233 1.00 83.92 C +ATOM 442 C HIS A 59 3.349 -15.715 -13.342 1.00 84.63 C +ATOM 443 O HIS A 59 3.892 -14.832 -12.691 1.00 83.05 O +ATOM 444 CB HIS A 59 1.515 -17.001 -12.226 1.00 82.19 C +ATOM 445 CG HIS A 59 0.073 -17.039 -11.826 1.00 82.10 C +ATOM 446 ND1 HIS A 59 -0.672 -15.951 -11.407 1.00 71.42 N1+ +ATOM 447 CD2 HIS A 59 -0.743 -18.130 -11.790 1.00 72.12 C +ATOM 448 CE1 HIS A 59 -1.908 -16.388 -11.120 1.00 71.31 C +ATOM 449 NE2 HIS A 59 -1.990 -17.704 -11.347 1.00 72.90 N +ATOM 450 N ARG A 60 4.008 -16.453 -14.196 1.00 82.04 N +ATOM 451 CA ARG A 60 5.439 -16.255 -14.448 1.00 82.61 C +ATOM 452 C ARG A 60 5.746 -14.914 -15.118 1.00 83.23 C +ATOM 453 O ARG A 60 6.738 -14.288 -14.772 1.00 83.42 O +ATOM 454 CB ARG A 60 5.976 -17.397 -15.335 1.00 81.98 C +ATOM 455 CG ARG A 60 5.955 -18.736 -14.587 1.00 79.25 C +ATOM 456 CD ARG A 60 6.454 -19.875 -15.497 1.00 80.12 C +ATOM 457 NE ARG A 60 6.422 -21.146 -14.769 1.00 76.06 N +ATOM 458 CZ ARG A 60 7.374 -21.608 -13.957 1.00 71.17 C +ATOM 459 NH1 ARG A 60 8.492 -20.967 -13.739 1.00 66.81 N +ATOM 460 NH2 ARG A 60 7.196 -22.736 -13.323 1.00 68.37 N1+ +ATOM 461 N SER A 61 4.898 -14.487 -16.015 1.00 82.51 N +ATOM 462 CA SER A 61 5.015 -13.165 -16.633 1.00 82.02 C +ATOM 463 C SER A 61 4.788 -12.059 -15.610 1.00 82.78 C +ATOM 464 O SER A 61 5.619 -11.164 -15.483 1.00 79.83 O +ATOM 465 CB SER A 61 4.028 -13.050 -17.793 1.00 79.21 C +ATOM 466 OG SER A 61 4.243 -11.830 -18.485 1.00 71.22 O +ATOM 467 N GLY A 62 3.742 -12.155 -14.816 1.00 84.29 N +ATOM 468 CA GLY A 62 3.480 -11.224 -13.715 1.00 84.61 C +ATOM 469 C GLY A 62 4.605 -11.182 -12.684 1.00 85.97 C +ATOM 470 O GLY A 62 4.975 -10.112 -12.217 1.00 84.02 O +ATOM 471 N TRP A 63 5.195 -12.317 -12.399 1.00 88.56 N +ATOM 472 CA TRP A 63 6.329 -12.426 -11.477 1.00 89.76 C +ATOM 473 C TRP A 63 7.572 -11.694 -11.982 1.00 90.83 C +ATOM 474 O TRP A 63 8.197 -10.943 -11.227 1.00 91.03 O +ATOM 475 CB TRP A 63 6.643 -13.904 -11.268 1.00 89.33 C +ATOM 476 CG TRP A 63 7.805 -14.169 -10.382 1.00 90.07 C +ATOM 477 CD1 TRP A 63 8.871 -14.942 -10.667 1.00 87.49 C +ATOM 478 CD2 TRP A 63 8.018 -13.648 -9.038 1.00 88.72 C +ATOM 479 NE1 TRP A 63 9.732 -14.958 -9.563 1.00 85.87 N +ATOM 480 CE2 TRP A 63 9.245 -14.158 -8.558 1.00 87.37 C +ATOM 481 CE3 TRP A 63 7.281 -12.799 -8.193 1.00 86.61 C +ATOM 482 CZ2 TRP A 63 9.724 -13.841 -7.258 1.00 84.12 C +ATOM 483 CZ3 TRP A 63 7.763 -12.479 -6.914 1.00 78.95 C +ATOM 484 CH2 TRP A 63 8.972 -12.983 -6.463 1.00 79.30 C +ATOM 485 N LYS A 64 7.916 -11.845 -13.250 1.00 88.31 N +ATOM 486 CA LYS A 64 9.009 -11.087 -13.862 1.00 88.43 C +ATOM 487 C LYS A 64 8.756 -9.586 -13.799 1.00 89.14 C +ATOM 488 O LYS A 64 9.642 -8.839 -13.412 1.00 87.36 O +ATOM 489 CB LYS A 64 9.245 -11.501 -15.330 1.00 86.09 C +ATOM 490 CG LYS A 64 10.100 -12.763 -15.427 1.00 76.75 C +ATOM 491 CD LYS A 64 10.441 -13.037 -16.899 1.00 72.10 C +ATOM 492 CE LYS A 64 11.402 -14.202 -17.010 1.00 63.86 C +ATOM 493 NZ LYS A 64 11.807 -14.442 -18.429 1.00 56.04 N1+ +ATOM 494 N GLN A 65 7.533 -9.166 -14.073 1.00 89.87 N +ATOM 495 CA GLN A 65 7.168 -7.753 -13.968 1.00 90.37 C +ATOM 496 C GLN A 65 7.311 -7.229 -12.548 1.00 91.35 C +ATOM 497 O GLN A 65 7.819 -6.128 -12.368 1.00 90.87 O +ATOM 498 CB GLN A 65 5.740 -7.530 -14.471 1.00 88.79 C +ATOM 499 CG GLN A 65 5.620 -7.701 -15.984 1.00 81.36 C +ATOM 500 CD GLN A 65 4.190 -7.479 -16.501 1.00 78.90 C +ATOM 501 OE1 GLN A 65 3.212 -7.472 -15.775 1.00 68.75 O +ATOM 502 NE2 GLN A 65 4.049 -7.292 -17.784 1.00 68.00 N +ATOM 503 N GLU A 66 6.917 -7.979 -11.540 1.00 91.02 N +ATOM 504 CA GLU A 66 7.099 -7.588 -10.133 1.00 91.52 C +ATOM 505 C GLU A 66 8.575 -7.368 -9.802 1.00 91.97 C +ATOM 506 O GLU A 66 8.928 -6.354 -9.203 1.00 90.44 O +ATOM 507 CB GLU A 66 6.469 -8.635 -9.211 1.00 89.69 C +ATOM 508 CG GLU A 66 6.622 -8.271 -7.722 1.00 83.41 C +ATOM 509 CD GLU A 66 5.950 -9.245 -6.737 1.00 83.03 C +ATOM 510 OE1 GLU A 66 6.074 -9.029 -5.530 1.00 68.63 O +ATOM 511 OE2 GLU A 66 5.294 -10.227 -7.162 1.00 66.30 O +ATOM 512 N ILE A 67 9.429 -8.272 -10.225 1.00 93.98 N +ATOM 513 CA ILE A 67 10.878 -8.153 -10.025 1.00 94.24 C +ATOM 514 C ILE A 67 11.433 -6.935 -10.748 1.00 94.22 C +ATOM 515 O ILE A 67 12.187 -6.164 -10.153 1.00 93.90 O +ATOM 516 CB ILE A 67 11.593 -9.447 -10.469 1.00 94.19 C +ATOM 517 CG1 ILE A 67 11.203 -10.623 -9.548 1.00 93.50 C +ATOM 518 CG2 ILE A 67 13.120 -9.253 -10.459 1.00 93.46 C +ATOM 519 CD1 ILE A 67 11.686 -11.988 -10.045 1.00 91.28 C +ATOM 520 N ASP A 68 11.049 -6.742 -11.998 1.00 94.04 N +ATOM 521 CA ASP A 68 11.534 -5.633 -12.808 1.00 93.93 C +ATOM 522 C ASP A 68 11.100 -4.286 -12.234 1.00 94.19 C +ATOM 523 O ASP A 68 11.938 -3.381 -12.143 1.00 93.28 O +ATOM 524 CB ASP A 68 11.061 -5.797 -14.266 1.00 93.14 C +ATOM 525 CG ASP A 68 11.762 -6.935 -15.020 1.00 90.23 C +ATOM 526 OD1 ASP A 68 12.891 -7.317 -14.628 1.00 85.33 O +ATOM 527 OD2 ASP A 68 11.182 -7.409 -16.034 1.00 83.14 O +ATOM 528 N ILE A 69 9.873 -4.171 -11.790 1.00 94.59 N +ATOM 529 CA ILE A 69 9.380 -2.965 -11.116 1.00 94.68 C +ATOM 530 C ILE A 69 10.197 -2.709 -9.854 1.00 94.78 C +ATOM 531 O ILE A 69 10.851 -1.671 -9.760 1.00 94.50 O +ATOM 532 CB ILE A 69 7.865 -3.061 -10.825 1.00 94.72 C +ATOM 533 CG1 ILE A 69 7.074 -2.967 -12.142 1.00 94.16 C +ATOM 534 CG2 ILE A 69 7.409 -1.946 -9.868 1.00 94.28 C +ATOM 535 CD1 ILE A 69 5.602 -3.359 -12.020 1.00 92.11 C +ATOM 536 N LEU A 70 10.242 -3.654 -8.931 1.00 95.74 N +ATOM 537 CA LEU A 70 10.906 -3.446 -7.645 1.00 95.70 C +ATOM 538 C LEU A 70 12.396 -3.130 -7.806 1.00 95.71 C +ATOM 539 O LEU A 70 12.935 -2.311 -7.059 1.00 95.19 O +ATOM 540 CB LEU A 70 10.674 -4.670 -6.747 1.00 95.38 C +ATOM 541 CG LEU A 70 11.146 -4.452 -5.297 1.00 94.26 C +ATOM 542 CD1 LEU A 70 10.976 -5.730 -4.488 1.00 93.05 C +ATOM 543 CD2 LEU A 70 10.343 -3.360 -4.590 1.00 92.44 C +ATOM 544 N ARG A 71 13.040 -3.684 -8.804 1.00 95.27 N +ATOM 545 CA ARG A 71 14.440 -3.396 -9.152 1.00 95.13 C +ATOM 546 C ARG A 71 14.679 -1.921 -9.481 1.00 95.37 C +ATOM 547 O ARG A 71 15.781 -1.432 -9.243 1.00 94.49 O +ATOM 548 CB ARG A 71 14.849 -4.318 -10.311 1.00 93.95 C +ATOM 549 CG ARG A 71 16.289 -4.089 -10.772 1.00 87.38 C +ATOM 550 CD ARG A 71 16.678 -5.031 -11.931 1.00 83.81 C +ATOM 551 NE ARG A 71 17.079 -6.354 -11.436 1.00 78.86 N +ATOM 552 CZ ARG A 71 17.420 -7.391 -12.164 1.00 75.57 C +ATOM 553 NH1 ARG A 71 17.388 -7.368 -13.466 1.00 69.32 N +ATOM 554 NH2 ARG A 71 17.820 -8.493 -11.608 1.00 68.50 N1+ +ATOM 555 N THR A 72 13.693 -1.241 -10.022 1.00 94.40 N +ATOM 556 CA THR A 72 13.828 0.170 -10.423 1.00 94.04 C +ATOM 557 C THR A 72 13.529 1.153 -9.290 1.00 94.27 C +ATOM 558 O THR A 72 13.811 2.338 -9.442 1.00 93.01 O +ATOM 559 CB THR A 72 12.938 0.511 -11.633 1.00 92.54 C +ATOM 560 OG1 THR A 72 11.562 0.469 -11.333 1.00 85.08 O +ATOM 561 CG2 THR A 72 13.190 -0.386 -12.824 1.00 83.55 C +ATOM 562 N LEU A 73 12.978 0.700 -8.179 1.00 95.36 N +ATOM 563 CA LEU A 73 12.487 1.561 -7.126 1.00 95.36 C +ATOM 564 C LEU A 73 13.533 1.765 -6.012 1.00 95.35 C +ATOM 565 O LEU A 73 14.056 0.813 -5.446 1.00 94.95 O +ATOM 566 CB LEU A 73 11.184 0.984 -6.551 1.00 95.40 C +ATOM 567 CG LEU A 73 10.030 0.846 -7.562 1.00 95.19 C +ATOM 568 CD1 LEU A 73 8.815 0.232 -6.865 1.00 94.81 C +ATOM 569 CD2 LEU A 73 9.622 2.176 -8.180 1.00 94.53 C +ATOM 570 N TYR A 74 13.768 3.024 -5.679 1.00 95.80 N +ATOM 571 CA TYR A 74 14.690 3.437 -4.614 1.00 95.38 C +ATOM 572 C TYR A 74 14.071 4.576 -3.806 1.00 95.58 C +ATOM 573 O TYR A 74 14.193 5.746 -4.148 1.00 94.42 O +ATOM 574 CB TYR A 74 16.030 3.856 -5.198 1.00 93.96 C +ATOM 575 CG TYR A 74 16.810 2.731 -5.838 1.00 87.34 C +ATOM 576 CD1 TYR A 74 17.674 1.935 -5.067 1.00 81.48 C +ATOM 577 CD2 TYR A 74 16.671 2.470 -7.212 1.00 78.23 C +ATOM 578 CE1 TYR A 74 18.388 0.883 -5.659 1.00 72.56 C +ATOM 579 CE2 TYR A 74 17.375 1.417 -7.813 1.00 69.66 C +ATOM 580 CZ TYR A 74 18.221 0.624 -7.020 1.00 68.12 C +ATOM 581 OH TYR A 74 18.922 -0.408 -7.622 1.00 66.15 O +ATOM 582 N HIS A 75 13.420 4.220 -2.729 1.00 96.41 N +ATOM 583 CA HIS A 75 12.829 5.186 -1.816 1.00 96.34 C +ATOM 584 C HIS A 75 12.797 4.621 -0.390 1.00 96.42 C +ATOM 585 O HIS A 75 12.611 3.416 -0.204 1.00 96.11 O +ATOM 586 CB HIS A 75 11.420 5.525 -2.315 1.00 96.20 C +ATOM 587 CG HIS A 75 10.818 6.698 -1.611 1.00 96.04 C +ATOM 588 ND1 HIS A 75 10.007 6.655 -0.503 1.00 94.88 N1+ +ATOM 589 CD2 HIS A 75 11.015 8.014 -1.918 1.00 94.72 C +ATOM 590 CE1 HIS A 75 9.728 7.920 -0.143 1.00 94.37 C +ATOM 591 NE2 HIS A 75 10.334 8.772 -0.981 1.00 94.67 N +ATOM 592 N GLU A 76 12.933 5.463 0.611 1.00 96.51 N +ATOM 593 CA GLU A 76 13.024 5.036 2.010 1.00 96.31 C +ATOM 594 C GLU A 76 11.738 4.387 2.525 1.00 96.59 C +ATOM 595 O GLU A 76 11.787 3.552 3.417 1.00 96.16 O +ATOM 596 CB GLU A 76 13.455 6.203 2.895 1.00 95.42 C +ATOM 597 CG GLU A 76 12.453 7.357 2.937 1.00 89.80 C +ATOM 598 CD GLU A 76 12.943 8.539 3.771 1.00 85.48 C +ATOM 599 OE1 GLU A 76 12.662 9.687 3.375 1.00 71.55 O +ATOM 600 OE2 GLU A 76 13.592 8.285 4.816 1.00 68.14 O +ATOM 601 N HIS A 77 10.614 4.717 1.916 1.00 96.72 N +ATOM 602 CA HIS A 77 9.301 4.147 2.237 1.00 96.82 C +ATOM 603 C HIS A 77 8.836 3.046 1.275 1.00 96.97 C +ATOM 604 O HIS A 77 7.663 2.698 1.240 1.00 96.79 O +ATOM 605 CB HIS A 77 8.278 5.280 2.369 1.00 96.69 C +ATOM 606 CG HIS A 77 8.660 6.281 3.406 1.00 96.55 C +ATOM 607 ND1 HIS A 77 9.089 5.983 4.690 1.00 95.78 N1+ +ATOM 608 CD2 HIS A 77 8.722 7.632 3.256 1.00 95.52 C +ATOM 609 CE1 HIS A 77 9.401 7.139 5.291 1.00 95.01 C +ATOM 610 NE2 HIS A 77 9.189 8.162 4.452 1.00 95.25 N +ATOM 611 N ILE A 78 9.735 2.481 0.500 1.00 96.86 N +ATOM 612 CA ILE A 78 9.492 1.291 -0.324 1.00 96.81 C +ATOM 613 C ILE A 78 10.471 0.196 0.089 1.00 96.83 C +ATOM 614 O ILE A 78 11.646 0.457 0.332 1.00 96.54 O +ATOM 615 CB ILE A 78 9.569 1.646 -1.822 1.00 96.64 C +ATOM 616 CG1 ILE A 78 8.391 2.581 -2.182 1.00 95.91 C +ATOM 617 CG2 ILE A 78 9.547 0.388 -2.708 1.00 95.66 C +ATOM 618 CD1 ILE A 78 8.367 3.061 -3.626 1.00 93.66 C +ATOM 619 N ILE A 79 9.998 -1.033 0.144 1.00 96.49 N +ATOM 620 CA ILE A 79 10.856 -2.173 0.454 1.00 96.41 C +ATOM 621 C ILE A 79 12.011 -2.251 -0.537 1.00 96.57 C +ATOM 622 O ILE A 79 11.829 -2.151 -1.755 1.00 96.15 O +ATOM 623 CB ILE A 79 10.035 -3.471 0.525 1.00 95.82 C +ATOM 624 CG1 ILE A 79 10.884 -4.581 1.150 1.00 91.71 C +ATOM 625 CG2 ILE A 79 9.478 -3.894 -0.847 1.00 90.58 C +ATOM 626 CD1 ILE A 79 10.086 -5.830 1.516 1.00 84.82 C +ATOM 627 N LYS A 80 13.207 -2.427 -0.030 1.00 95.95 N +ATOM 628 CA LYS A 80 14.416 -2.405 -0.847 1.00 95.74 C +ATOM 629 C LYS A 80 14.614 -3.733 -1.578 1.00 96.06 C +ATOM 630 O LYS A 80 14.701 -4.790 -0.948 1.00 95.64 O +ATOM 631 CB LYS A 80 15.619 -2.041 0.035 1.00 94.80 C +ATOM 632 CG LYS A 80 16.890 -1.857 -0.772 1.00 88.60 C +ATOM 633 CD LYS A 80 18.040 -1.416 0.139 1.00 83.86 C +ATOM 634 CE LYS A 80 19.314 -1.245 -0.676 1.00 76.49 C +ATOM 635 NZ LYS A 80 20.417 -0.737 0.162 1.00 69.20 N1+ +ATOM 636 N TYR A 81 14.740 -3.659 -2.889 1.00 95.59 N +ATOM 637 CA TYR A 81 15.267 -4.743 -3.694 1.00 95.67 C +ATOM 638 C TYR A 81 16.740 -4.988 -3.341 1.00 95.64 C +ATOM 639 O TYR A 81 17.519 -4.039 -3.255 1.00 95.24 O +ATOM 640 CB TYR A 81 15.125 -4.384 -5.167 1.00 95.64 C +ATOM 641 CG TYR A 81 15.750 -5.382 -6.112 1.00 95.68 C +ATOM 642 CD1 TYR A 81 15.053 -6.542 -6.473 1.00 95.27 C +ATOM 643 CD2 TYR A 81 17.043 -5.159 -6.621 1.00 95.31 C +ATOM 644 CE1 TYR A 81 15.617 -7.474 -7.365 1.00 94.80 C +ATOM 645 CE2 TYR A 81 17.627 -6.081 -7.513 1.00 94.79 C +ATOM 646 CZ TYR A 81 16.907 -7.232 -7.886 1.00 94.92 C +ATOM 647 OH TYR A 81 17.464 -8.127 -8.783 1.00 94.15 O +ATOM 648 N LYS A 82 17.110 -6.221 -3.156 1.00 95.61 N +ATOM 649 CA LYS A 82 18.500 -6.622 -2.930 1.00 95.26 C +ATOM 650 C LYS A 82 19.075 -7.415 -4.084 1.00 95.36 C +ATOM 651 O LYS A 82 20.243 -7.275 -4.386 1.00 94.40 O +ATOM 652 CB LYS A 82 18.620 -7.417 -1.632 1.00 94.26 C +ATOM 653 CG LYS A 82 18.433 -6.503 -0.425 1.00 89.67 C +ATOM 654 CD LYS A 82 18.896 -7.199 0.831 1.00 86.76 C +ATOM 655 CE LYS A 82 19.058 -6.164 1.935 1.00 82.13 C +ATOM 656 NZ LYS A 82 20.300 -6.379 2.687 1.00 76.93 N1+ +ATOM 657 N GLY A 83 18.267 -8.213 -4.731 1.00 95.12 N +ATOM 658 CA GLY A 83 18.725 -9.021 -5.859 1.00 94.96 C +ATOM 659 C GLY A 83 17.789 -10.188 -6.151 1.00 95.18 C +ATOM 660 O GLY A 83 16.644 -10.254 -5.711 1.00 94.70 O +ATOM 661 N CYS A 84 18.317 -11.136 -6.919 1.00 93.25 N +ATOM 662 CA CYS A 84 17.631 -12.372 -7.238 1.00 93.16 C +ATOM 663 C CYS A 84 18.510 -13.590 -6.904 1.00 93.10 C +ATOM 664 O CYS A 84 19.727 -13.515 -6.922 1.00 91.94 O +ATOM 665 CB CYS A 84 17.223 -12.375 -8.704 1.00 92.39 C +ATOM 666 SG CYS A 84 15.869 -11.195 -8.986 1.00 89.94 S +ATOM 667 N CYS A 85 17.862 -14.681 -6.654 1.00 91.66 N +ATOM 668 CA CYS A 85 18.499 -15.986 -6.550 1.00 91.44 C +ATOM 669 C CYS A 85 17.899 -16.927 -7.598 1.00 91.20 C +ATOM 670 O CYS A 85 16.688 -16.962 -7.783 1.00 89.51 O +ATOM 671 CB CYS A 85 18.270 -16.517 -5.141 1.00 90.03 C +ATOM 672 SG CYS A 85 19.058 -18.134 -4.928 1.00 86.17 S +ATOM 673 N GLU A 86 18.741 -17.693 -8.283 1.00 88.53 N +ATOM 674 CA GLU A 86 18.258 -18.725 -9.182 1.00 87.24 C +ATOM 675 C GLU A 86 17.534 -19.824 -8.402 1.00 87.35 C +ATOM 676 O GLU A 86 18.031 -20.346 -7.416 1.00 84.33 O +ATOM 677 CB GLU A 86 19.409 -19.342 -9.981 1.00 84.35 C +ATOM 678 CG GLU A 86 19.975 -18.411 -11.018 1.00 78.04 C +ATOM 679 CD GLU A 86 21.014 -19.079 -11.943 1.00 76.69 C +ATOM 680 OE1 GLU A 86 21.365 -18.441 -12.940 1.00 65.62 O +ATOM 681 OE2 GLU A 86 21.424 -20.218 -11.662 1.00 64.77 O +ATOM 682 N ASP A 87 16.340 -20.153 -8.850 1.00 85.67 N +ATOM 683 CA ASP A 87 15.548 -21.233 -8.292 1.00 85.34 C +ATOM 684 C ASP A 87 15.309 -22.303 -9.364 1.00 85.35 C +ATOM 685 O ASP A 87 14.295 -22.289 -10.043 1.00 82.47 O +ATOM 686 CB ASP A 87 14.262 -20.714 -7.663 1.00 83.16 C +ATOM 687 CG ASP A 87 13.518 -21.808 -6.907 1.00 83.23 C +ATOM 688 OD1 ASP A 87 13.943 -22.986 -6.927 1.00 77.97 O +ATOM 689 OD2 ASP A 87 12.489 -21.458 -6.275 1.00 78.15 O +ATOM 690 N ALA A 88 16.244 -23.215 -9.486 1.00 86.11 N +ATOM 691 CA ALA A 88 16.145 -24.337 -10.407 1.00 85.60 C +ATOM 692 C ALA A 88 14.935 -25.242 -10.115 1.00 85.75 C +ATOM 693 O ALA A 88 14.352 -25.796 -11.044 1.00 82.19 O +ATOM 694 CB ALA A 88 17.451 -25.126 -10.363 1.00 83.61 C +ATOM 695 N GLY A 89 14.534 -25.322 -8.866 1.00 83.90 N +ATOM 696 CA GLY A 89 13.369 -26.145 -8.461 1.00 83.33 C +ATOM 697 C GLY A 89 12.058 -25.635 -9.009 1.00 84.26 C +ATOM 698 O GLY A 89 11.211 -26.413 -9.418 1.00 81.28 O +ATOM 699 N ALA A 90 11.899 -24.330 -9.083 1.00 82.62 N +ATOM 700 CA ALA A 90 10.705 -23.699 -9.646 1.00 82.72 C +ATOM 701 C ALA A 90 10.884 -23.242 -11.115 1.00 83.72 C +ATOM 702 O ALA A 90 9.957 -22.643 -11.665 1.00 79.77 O +ATOM 703 CB ALA A 90 10.286 -22.555 -8.728 1.00 79.64 C +ATOM 704 N ALA A 91 12.013 -23.464 -11.712 1.00 83.22 N +ATOM 705 CA ALA A 91 12.395 -22.943 -13.028 1.00 83.63 C +ATOM 706 C ALA A 91 12.145 -21.411 -13.154 1.00 85.26 C +ATOM 707 O ALA A 91 11.646 -20.929 -14.172 1.00 82.93 O +ATOM 708 CB ALA A 91 11.710 -23.752 -14.116 1.00 80.87 C +ATOM 709 N SER A 92 12.462 -20.669 -12.108 1.00 85.93 N +ATOM 710 CA SER A 92 12.236 -19.229 -12.000 1.00 86.39 C +ATOM 711 C SER A 92 13.290 -18.572 -11.111 1.00 87.59 C +ATOM 712 O SER A 92 14.147 -19.249 -10.540 1.00 86.35 O +ATOM 713 CB SER A 92 10.826 -18.971 -11.458 1.00 83.77 C +ATOM 714 OG SER A 92 10.681 -19.398 -10.125 1.00 76.85 O +ATOM 715 N LEU A 93 13.222 -17.272 -10.964 1.00 89.66 N +ATOM 716 CA LEU A 93 14.015 -16.525 -10.008 1.00 90.54 C +ATOM 717 C LEU A 93 13.255 -16.350 -8.695 1.00 91.14 C +ATOM 718 O LEU A 93 12.041 -16.143 -8.691 1.00 89.97 O +ATOM 719 CB LEU A 93 14.414 -15.171 -10.604 1.00 88.93 C +ATOM 720 CG LEU A 93 15.306 -15.278 -11.864 1.00 83.67 C +ATOM 721 CD1 LEU A 93 15.580 -13.869 -12.395 1.00 80.14 C +ATOM 722 CD2 LEU A 93 16.635 -15.928 -11.550 1.00 78.94 C +ATOM 723 N GLN A 94 13.965 -16.371 -7.598 1.00 92.92 N +ATOM 724 CA GLN A 94 13.499 -15.893 -6.310 1.00 93.00 C +ATOM 725 C GLN A 94 13.891 -14.431 -6.141 1.00 93.39 C +ATOM 726 O GLN A 94 15.026 -14.057 -6.415 1.00 92.81 O +ATOM 727 CB GLN A 94 14.096 -16.746 -5.186 1.00 92.45 C +ATOM 728 CG GLN A 94 13.659 -18.198 -5.288 1.00 90.61 C +ATOM 729 CD GLN A 94 14.218 -19.049 -4.149 1.00 89.62 C +ATOM 730 OE1 GLN A 94 15.412 -19.110 -3.930 1.00 83.93 O +ATOM 731 NE2 GLN A 94 13.396 -19.723 -3.414 1.00 81.39 N +ATOM 732 N LEU A 95 12.961 -13.618 -5.691 1.00 94.32 N +ATOM 733 CA LEU A 95 13.197 -12.215 -5.384 1.00 94.50 C +ATOM 734 C LEU A 95 13.741 -12.083 -3.965 1.00 94.62 C +ATOM 735 O LEU A 95 13.092 -12.519 -3.020 1.00 94.32 O +ATOM 736 CB LEU A 95 11.869 -11.461 -5.572 1.00 94.30 C +ATOM 737 CG LEU A 95 11.859 -9.999 -5.077 1.00 93.44 C +ATOM 738 CD1 LEU A 95 10.467 -9.405 -5.302 1.00 92.43 C +ATOM 739 CD2 LEU A 95 12.864 -9.125 -5.814 1.00 92.15 C +ATOM 740 N VAL A 96 14.879 -11.466 -3.808 1.00 95.82 N +ATOM 741 CA VAL A 96 15.506 -11.189 -2.519 1.00 95.88 C +ATOM 742 C VAL A 96 15.322 -9.711 -2.183 1.00 95.87 C +ATOM 743 O VAL A 96 15.706 -8.830 -2.947 1.00 95.53 O +ATOM 744 CB VAL A 96 16.976 -11.577 -2.498 1.00 95.78 C +ATOM 745 CG1 VAL A 96 17.191 -13.024 -2.961 1.00 95.28 C +ATOM 746 CG2 VAL A 96 17.548 -11.437 -1.083 1.00 95.20 C +ATOM 747 N MET A 97 14.734 -9.442 -1.047 1.00 95.97 N +ATOM 748 CA MET A 97 14.422 -8.113 -0.528 1.00 95.85 C +ATOM 749 C MET A 97 15.022 -7.939 0.864 1.00 95.97 C +ATOM 750 O MET A 97 15.355 -8.923 1.529 1.00 95.55 O +ATOM 751 CB MET A 97 12.888 -7.936 -0.449 1.00 95.21 C +ATOM 752 CG MET A 97 12.178 -8.204 -1.769 1.00 91.80 C +ATOM 753 SD MET A 97 10.364 -8.236 -1.662 1.00 89.60 S +ATOM 754 CE MET A 97 10.109 -9.773 -0.760 1.00 79.20 C +ATOM 755 N GLU A 98 15.083 -6.701 1.338 1.00 95.55 N +ATOM 756 CA GLU A 98 15.390 -6.464 2.746 1.00 95.29 C +ATOM 757 C GLU A 98 14.343 -7.137 3.637 1.00 95.38 C +ATOM 758 O GLU A 98 13.165 -7.192 3.306 1.00 94.74 O +ATOM 759 CB GLU A 98 15.528 -4.964 3.045 1.00 94.55 C +ATOM 760 CG GLU A 98 14.201 -4.197 3.018 1.00 91.76 C +ATOM 761 CD GLU A 98 14.353 -2.693 3.279 1.00 90.54 C +ATOM 762 OE1 GLU A 98 13.700 -1.898 2.592 1.00 77.83 O +ATOM 763 OE2 GLU A 98 15.148 -2.302 4.163 1.00 75.71 O +ATOM 764 N TYR A 99 14.787 -7.627 4.759 1.00 95.64 N +ATOM 765 CA TYR A 99 13.897 -8.104 5.799 1.00 95.72 C +ATOM 766 C TYR A 99 13.479 -6.946 6.695 1.00 95.71 C +ATOM 767 O TYR A 99 14.323 -6.282 7.284 1.00 95.33 O +ATOM 768 CB TYR A 99 14.604 -9.190 6.602 1.00 95.65 C +ATOM 769 CG TYR A 99 13.851 -9.624 7.840 1.00 95.78 C +ATOM 770 CD1 TYR A 99 12.575 -10.187 7.714 1.00 95.39 C +ATOM 771 CD2 TYR A 99 14.396 -9.429 9.117 1.00 95.16 C +ATOM 772 CE1 TYR A 99 11.859 -10.582 8.863 1.00 94.66 C +ATOM 773 CE2 TYR A 99 13.702 -9.818 10.275 1.00 94.73 C +ATOM 774 CZ TYR A 99 12.428 -10.391 10.132 1.00 94.79 C +ATOM 775 OH TYR A 99 11.730 -10.786 11.264 1.00 94.21 O +ATOM 776 N VAL A 100 12.196 -6.713 6.793 1.00 95.82 N +ATOM 777 CA VAL A 100 11.623 -5.672 7.644 1.00 95.72 C +ATOM 778 C VAL A 100 11.121 -6.302 8.941 1.00 95.77 C +ATOM 779 O VAL A 100 10.191 -7.104 8.916 1.00 95.48 O +ATOM 780 CB VAL A 100 10.525 -4.895 6.895 1.00 95.45 C +ATOM 781 CG1 VAL A 100 11.026 -4.379 5.539 1.00 94.72 C +ATOM 782 CG2 VAL A 100 10.094 -3.684 7.707 1.00 94.63 C +ATOM 783 N PRO A 101 11.723 -5.995 10.089 1.00 95.73 N +ATOM 784 CA PRO A 101 11.658 -6.869 11.257 1.00 95.50 C +ATOM 785 C PRO A 101 10.329 -6.876 12.012 1.00 95.59 C +ATOM 786 O PRO A 101 10.002 -7.886 12.641 1.00 94.98 O +ATOM 787 CB PRO A 101 12.812 -6.427 12.165 1.00 94.87 C +ATOM 788 CG PRO A 101 13.062 -4.981 11.762 1.00 93.55 C +ATOM 789 CD PRO A 101 12.770 -4.997 10.279 1.00 94.41 C +ATOM 790 N LEU A 102 9.564 -5.799 11.956 1.00 96.09 N +ATOM 791 CA LEU A 102 8.317 -5.686 12.730 1.00 96.05 C +ATOM 792 C LEU A 102 7.081 -6.204 11.988 1.00 96.12 C +ATOM 793 O LEU A 102 6.004 -6.278 12.574 1.00 95.62 O +ATOM 794 CB LEU A 102 8.141 -4.247 13.228 1.00 95.82 C +ATOM 795 CG LEU A 102 9.292 -3.716 14.112 1.00 95.27 C +ATOM 796 CD1 LEU A 102 8.961 -2.314 14.638 1.00 94.68 C +ATOM 797 CD2 LEU A 102 9.553 -4.599 15.335 1.00 94.35 C +ATOM 798 N GLY A 103 7.217 -6.627 10.736 1.00 95.64 N +ATOM 799 CA GLY A 103 6.130 -7.189 9.928 1.00 95.47 C +ATOM 800 C GLY A 103 5.126 -6.150 9.433 1.00 95.74 C +ATOM 801 O GLY A 103 5.400 -4.965 9.418 1.00 95.31 O +ATOM 802 N SER A 104 3.968 -6.597 8.998 1.00 95.56 N +ATOM 803 CA SER A 104 2.943 -5.718 8.441 1.00 95.49 C +ATOM 804 C SER A 104 2.233 -4.889 9.509 1.00 95.72 C +ATOM 805 O SER A 104 2.013 -5.354 10.633 1.00 95.39 O +ATOM 806 CB SER A 104 1.930 -6.514 7.620 1.00 94.90 C +ATOM 807 OG SER A 104 1.101 -7.310 8.452 1.00 92.75 O +ATOM 808 N LEU A 105 1.790 -3.702 9.140 1.00 96.02 N +ATOM 809 CA LEU A 105 0.960 -2.879 10.021 1.00 95.97 C +ATOM 810 C LEU A 105 -0.314 -3.606 10.443 1.00 96.02 C +ATOM 811 O LEU A 105 -0.713 -3.493 11.600 1.00 95.78 O +ATOM 812 CB LEU A 105 0.598 -1.559 9.328 1.00 95.81 C +ATOM 813 CG LEU A 105 1.753 -0.561 9.197 1.00 95.21 C +ATOM 814 CD1 LEU A 105 1.256 0.702 8.492 1.00 94.71 C +ATOM 815 CD2 LEU A 105 2.296 -0.132 10.573 1.00 94.32 C +ATOM 816 N ARG A 106 -0.898 -4.410 9.576 1.00 96.10 N +ATOM 817 CA ARG A 106 -2.079 -5.219 9.897 1.00 95.92 C +ATOM 818 C ARG A 106 -1.847 -6.164 11.064 1.00 96.01 C +ATOM 819 O ARG A 106 -2.764 -6.361 11.867 1.00 95.60 O +ATOM 820 CB ARG A 106 -2.518 -6.017 8.666 1.00 95.37 C +ATOM 821 CG ARG A 106 -3.858 -6.748 8.907 1.00 92.02 C +ATOM 822 CD ARG A 106 -4.193 -7.708 7.768 1.00 89.40 C +ATOM 823 NE ARG A 106 -3.241 -8.819 7.710 1.00 83.48 N +ATOM 824 CZ ARG A 106 -3.180 -9.751 6.776 1.00 82.25 C +ATOM 825 NH1 ARG A 106 -4.032 -9.804 5.806 1.00 78.05 N +ATOM 826 NH2 ARG A 106 -2.242 -10.654 6.834 1.00 78.76 N1+ +ATOM 827 N ASP A 107 -0.672 -6.742 11.152 1.00 95.29 N +ATOM 828 CA ASP A 107 -0.343 -7.706 12.204 1.00 95.16 C +ATOM 829 C ASP A 107 0.260 -7.028 13.433 1.00 95.33 C +ATOM 830 O ASP A 107 0.170 -7.565 14.550 1.00 94.85 O +ATOM 831 CB ASP A 107 0.607 -8.769 11.651 1.00 94.58 C +ATOM 832 CG ASP A 107 0.003 -9.578 10.487 1.00 92.56 C +ATOM 833 OD1 ASP A 107 -1.232 -9.805 10.477 1.00 88.03 O +ATOM 834 OD2 ASP A 107 0.777 -9.947 9.583 1.00 85.10 O +ATOM 835 N TYR A 108 0.848 -5.865 13.260 1.00 96.09 N +ATOM 836 CA TYR A 108 1.492 -5.111 14.321 1.00 96.05 C +ATOM 837 C TYR A 108 0.501 -4.293 15.160 1.00 96.08 C +ATOM 838 O TYR A 108 0.522 -4.376 16.386 1.00 95.78 O +ATOM 839 CB TYR A 108 2.560 -4.206 13.709 1.00 95.90 C +ATOM 840 CG TYR A 108 3.406 -3.485 14.728 1.00 95.68 C +ATOM 841 CD1 TYR A 108 4.585 -4.088 15.206 1.00 95.19 C +ATOM 842 CD2 TYR A 108 3.023 -2.221 15.235 1.00 94.99 C +ATOM 843 CE1 TYR A 108 5.363 -3.446 16.184 1.00 94.37 C +ATOM 844 CE2 TYR A 108 3.795 -1.573 16.196 1.00 94.44 C +ATOM 845 CZ TYR A 108 4.963 -2.181 16.675 1.00 94.33 C +ATOM 846 OH TYR A 108 5.733 -1.559 17.636 1.00 93.77 O +ATOM 847 N LEU A 109 -0.355 -3.518 14.516 1.00 95.59 N +ATOM 848 CA LEU A 109 -1.214 -2.537 15.185 1.00 95.53 C +ATOM 849 C LEU A 109 -2.190 -3.137 16.200 1.00 95.45 C +ATOM 850 O LEU A 109 -2.327 -2.559 17.273 1.00 95.12 O +ATOM 851 CB LEU A 109 -1.958 -1.685 14.144 1.00 95.44 C +ATOM 852 CG LEU A 109 -1.068 -0.731 13.330 1.00 95.09 C +ATOM 853 CD1 LEU A 109 -1.941 0.016 12.324 1.00 94.69 C +ATOM 854 CD2 LEU A 109 -0.363 0.291 14.207 1.00 94.36 C +ATOM 855 N PRO A 110 -2.804 -4.310 15.976 1.00 94.92 N +ATOM 856 CA PRO A 110 -3.672 -4.929 16.990 1.00 94.73 C +ATOM 857 C PRO A 110 -2.962 -5.342 18.284 1.00 94.73 C +ATOM 858 O PRO A 110 -3.601 -5.603 19.289 1.00 94.09 O +ATOM 859 CB PRO A 110 -4.273 -6.160 16.298 1.00 94.25 C +ATOM 860 CG PRO A 110 -4.199 -5.817 14.819 1.00 93.49 C +ATOM 861 CD PRO A 110 -2.887 -5.047 14.736 1.00 94.22 C +ATOM 862 N ARG A 111 -1.650 -5.417 18.270 1.00 94.32 N +ATOM 863 CA ARG A 111 -0.817 -5.889 19.394 1.00 93.91 C +ATOM 864 C ARG A 111 -0.052 -4.780 20.097 1.00 93.98 C +ATOM 865 O ARG A 111 0.589 -5.053 21.102 1.00 92.49 O +ATOM 866 CB ARG A 111 0.152 -6.968 18.875 1.00 92.45 C +ATOM 867 CG ARG A 111 -0.547 -8.140 18.194 1.00 83.57 C +ATOM 868 CD ARG A 111 0.488 -9.138 17.671 1.00 79.57 C +ATOM 869 NE ARG A 111 -0.142 -10.168 16.831 1.00 73.05 N +ATOM 870 CZ ARG A 111 0.480 -11.116 16.168 1.00 67.99 C +ATOM 871 NH1 ARG A 111 1.771 -11.277 16.252 1.00 59.47 N +ATOM 872 NH2 ARG A 111 -0.186 -11.925 15.409 1.00 57.08 N1+ +ATOM 873 N HIS A 112 -0.090 -3.556 19.567 1.00 93.78 N +ATOM 874 CA HIS A 112 0.696 -2.431 20.062 1.00 93.82 C +ATOM 875 C HIS A 112 -0.167 -1.183 20.160 1.00 93.90 C +ATOM 876 O HIS A 112 -0.832 -0.793 19.195 1.00 92.94 O +ATOM 877 CB HIS A 112 1.891 -2.196 19.147 1.00 93.40 C +ATOM 878 CG HIS A 112 2.832 -3.376 19.062 1.00 92.76 C +ATOM 879 ND1 HIS A 112 2.676 -4.486 18.231 1.00 88.99 N1+ +ATOM 880 CD2 HIS A 112 3.978 -3.580 19.803 1.00 88.25 C +ATOM 881 CE1 HIS A 112 3.689 -5.319 18.460 1.00 88.17 C +ATOM 882 NE2 HIS A 112 4.498 -4.818 19.403 1.00 89.15 N +ATOM 883 N SER A 113 -0.127 -0.531 21.297 1.00 92.68 N +ATOM 884 CA SER A 113 -0.879 0.713 21.509 1.00 92.54 C +ATOM 885 C SER A 113 -0.159 1.893 20.872 1.00 93.11 C +ATOM 886 O SER A 113 0.587 2.623 21.528 1.00 91.30 O +ATOM 887 CB SER A 113 -1.084 0.942 23.010 1.00 89.97 C +ATOM 888 OG SER A 113 -1.804 -0.128 23.582 1.00 77.96 O +ATOM 889 N ILE A 114 -0.379 2.075 19.583 1.00 94.04 N +ATOM 890 CA ILE A 114 0.194 3.193 18.827 1.00 94.13 C +ATOM 891 C ILE A 114 -0.729 4.405 18.926 1.00 94.44 C +ATOM 892 O ILE A 114 -1.930 4.311 18.676 1.00 93.39 O +ATOM 893 CB ILE A 114 0.463 2.775 17.390 1.00 92.76 C +ATOM 894 CG1 ILE A 114 1.362 1.508 17.299 1.00 85.52 C +ATOM 895 CG2 ILE A 114 1.109 3.918 16.592 1.00 81.58 C +ATOM 896 CD1 ILE A 114 2.712 1.620 17.998 1.00 74.56 C +ATOM 897 N GLY A 115 -0.174 5.548 19.289 1.00 95.24 N +ATOM 898 CA GLY A 115 -0.915 6.794 19.373 1.00 95.16 C +ATOM 899 C GLY A 115 -1.253 7.414 18.037 1.00 95.57 C +ATOM 900 O GLY A 115 -0.603 7.127 17.030 1.00 95.17 O +ATOM 901 N LEU A 116 -2.211 8.314 18.028 1.00 95.50 N +ATOM 902 CA LEU A 116 -2.698 8.979 16.806 1.00 95.60 C +ATOM 903 C LEU A 116 -1.580 9.676 16.028 1.00 95.83 C +ATOM 904 O LEU A 116 -1.502 9.503 14.810 1.00 95.75 O +ATOM 905 CB LEU A 116 -3.795 9.975 17.231 1.00 95.39 C +ATOM 906 CG LEU A 116 -4.347 10.832 16.064 1.00 94.78 C +ATOM 907 CD1 LEU A 116 -5.388 11.785 16.610 1.00 94.14 C +ATOM 908 CD2 LEU A 116 -4.999 9.977 14.977 1.00 93.61 C +ATOM 909 N ALA A 117 -0.712 10.402 16.701 1.00 95.92 N +ATOM 910 CA ALA A 117 0.411 11.076 16.047 1.00 95.93 C +ATOM 911 C ALA A 117 1.294 10.095 15.262 1.00 96.16 C +ATOM 912 O ALA A 117 1.673 10.364 14.131 1.00 95.85 O +ATOM 913 CB ALA A 117 1.213 11.820 17.095 1.00 95.39 C +ATOM 914 N GLN A 118 1.553 8.939 15.830 1.00 96.34 N +ATOM 915 CA GLN A 118 2.372 7.911 15.173 1.00 96.23 C +ATOM 916 C GLN A 118 1.659 7.299 13.964 1.00 96.40 C +ATOM 917 O GLN A 118 2.298 7.055 12.936 1.00 96.15 O +ATOM 918 CB GLN A 118 2.721 6.835 16.215 1.00 95.70 C +ATOM 919 CG GLN A 118 3.881 5.938 15.769 1.00 92.62 C +ATOM 920 CD GLN A 118 5.206 6.678 15.663 1.00 91.12 C +ATOM 921 OE1 GLN A 118 5.425 7.706 16.266 1.00 81.31 O +ATOM 922 NE2 GLN A 118 6.137 6.164 14.913 1.00 78.47 N +ATOM 923 N LEU A 119 0.365 7.061 14.047 1.00 96.45 N +ATOM 924 CA LEU A 119 -0.431 6.581 12.919 1.00 96.54 C +ATOM 925 C LEU A 119 -0.453 7.596 11.769 1.00 96.64 C +ATOM 926 O LEU A 119 -0.334 7.211 10.601 1.00 96.46 O +ATOM 927 CB LEU A 119 -1.867 6.297 13.380 1.00 96.48 C +ATOM 928 CG LEU A 119 -2.007 5.178 14.413 1.00 96.10 C +ATOM 929 CD1 LEU A 119 -3.465 5.100 14.863 1.00 95.65 C +ATOM 930 CD2 LEU A 119 -1.592 3.813 13.872 1.00 95.50 C +ATOM 931 N LEU A 120 -0.529 8.872 12.084 1.00 96.38 N +ATOM 932 CA LEU A 120 -0.476 9.956 11.099 1.00 96.44 C +ATOM 933 C LEU A 120 0.910 10.078 10.465 1.00 96.46 C +ATOM 934 O LEU A 120 0.986 10.341 9.265 1.00 96.23 O +ATOM 935 CB LEU A 120 -0.901 11.262 11.758 1.00 96.37 C +ATOM 936 CG LEU A 120 -2.379 11.292 12.184 1.00 96.07 C +ATOM 937 CD1 LEU A 120 -2.625 12.546 13.032 1.00 95.74 C +ATOM 938 CD2 LEU A 120 -3.340 11.326 11.001 1.00 95.52 C +ATOM 939 N LEU A 121 1.964 9.834 11.219 1.00 96.56 N +ATOM 940 CA LEU A 121 3.316 9.738 10.659 1.00 96.55 C +ATOM 941 C LEU A 121 3.404 8.582 9.649 1.00 96.60 C +ATOM 942 O LEU A 121 3.915 8.774 8.546 1.00 96.40 O +ATOM 943 CB LEU A 121 4.326 9.556 11.796 1.00 96.41 C +ATOM 944 CG LEU A 121 5.784 9.369 11.322 1.00 95.93 C +ATOM 945 CD1 LEU A 121 6.683 9.070 12.524 1.00 95.30 C +ATOM 946 CD2 LEU A 121 6.314 10.629 10.631 1.00 94.69 C +ATOM 947 N PHE A 122 2.878 7.422 9.970 1.00 96.80 N +ATOM 948 CA PHE A 122 2.842 6.300 9.032 1.00 96.84 C +ATOM 949 C PHE A 122 2.028 6.630 7.785 1.00 96.90 C +ATOM 950 O PHE A 122 2.477 6.346 6.670 1.00 96.74 O +ATOM 951 CB PHE A 122 2.276 5.051 9.716 1.00 96.78 C +ATOM 952 CG PHE A 122 3.040 4.526 10.921 1.00 96.75 C +ATOM 953 CD1 PHE A 122 4.408 4.780 11.094 1.00 96.35 C +ATOM 954 CD2 PHE A 122 2.374 3.714 11.850 1.00 96.18 C +ATOM 955 CE1 PHE A 122 5.102 4.250 12.198 1.00 95.69 C +ATOM 956 CE2 PHE A 122 3.050 3.162 12.949 1.00 95.75 C +ATOM 957 CZ PHE A 122 4.416 3.429 13.126 1.00 95.72 C +ATOM 958 N ALA A 123 0.886 7.267 7.954 1.00 96.82 N +ATOM 959 CA ALA A 123 0.067 7.705 6.822 1.00 96.82 C +ATOM 960 C ALA A 123 0.817 8.679 5.904 1.00 96.88 C +ATOM 961 O ALA A 123 0.788 8.512 4.679 1.00 96.71 O +ATOM 962 CB ALA A 123 -1.214 8.315 7.374 1.00 96.67 C +ATOM 963 N GLN A 124 1.530 9.626 6.470 1.00 96.82 N +ATOM 964 CA GLN A 124 2.387 10.551 5.718 1.00 96.79 C +ATOM 965 C GLN A 124 3.455 9.794 4.928 1.00 96.85 C +ATOM 966 O GLN A 124 3.602 10.015 3.723 1.00 96.51 O +ATOM 967 CB GLN A 124 3.016 11.557 6.688 1.00 96.41 C +ATOM 968 CG GLN A 124 3.914 12.557 5.971 1.00 94.87 C +ATOM 969 CD GLN A 124 4.835 13.327 6.923 1.00 93.65 C +ATOM 970 OE1 GLN A 124 4.525 13.587 8.080 1.00 86.49 O +ATOM 971 NE2 GLN A 124 5.997 13.699 6.479 1.00 85.76 N +ATOM 972 N GLN A 125 4.155 8.893 5.564 1.00 96.84 N +ATOM 973 CA GLN A 125 5.211 8.102 4.928 1.00 96.84 C +ATOM 974 C GLN A 125 4.686 7.189 3.808 1.00 96.85 C +ATOM 975 O GLN A 125 5.325 7.048 2.772 1.00 96.62 O +ATOM 976 CB GLN A 125 5.903 7.252 5.993 1.00 96.78 C +ATOM 977 CG GLN A 125 6.744 8.082 6.970 1.00 96.54 C +ATOM 978 CD GLN A 125 7.425 7.229 8.036 1.00 96.34 C +ATOM 979 OE1 GLN A 125 7.340 6.020 8.049 1.00 94.58 O +ATOM 980 NE2 GLN A 125 8.130 7.838 8.950 1.00 93.79 N +ATOM 981 N ILE A 126 3.513 6.621 3.985 1.00 96.82 N +ATOM 982 CA ILE A 126 2.840 5.875 2.908 1.00 96.85 C +ATOM 983 C ILE A 126 2.597 6.795 1.712 1.00 96.83 C +ATOM 984 O ILE A 126 2.920 6.433 0.586 1.00 96.72 O +ATOM 985 CB ILE A 126 1.530 5.229 3.414 1.00 96.94 C +ATOM 986 CG1 ILE A 126 1.818 4.130 4.455 1.00 96.92 C +ATOM 987 CG2 ILE A 126 0.741 4.619 2.243 1.00 96.93 C +ATOM 988 CD1 ILE A 126 0.590 3.723 5.283 1.00 96.65 C +ATOM 989 N CYS A 127 2.114 8.005 1.948 1.00 96.92 N +ATOM 990 CA CYS A 127 1.911 8.979 0.878 1.00 96.87 C +ATOM 991 C CYS A 127 3.215 9.387 0.188 1.00 96.81 C +ATOM 992 O CYS A 127 3.215 9.524 -1.030 1.00 96.56 O +ATOM 993 CB CYS A 127 1.197 10.210 1.429 1.00 96.76 C +ATOM 994 SG CYS A 127 -0.524 9.797 1.812 1.00 96.54 S +ATOM 995 N GLU A 128 4.291 9.528 0.912 1.00 97.03 N +ATOM 996 CA GLU A 128 5.610 9.832 0.344 1.00 96.92 C +ATOM 997 C GLU A 128 6.095 8.705 -0.569 1.00 97.04 C +ATOM 998 O GLU A 128 6.470 8.939 -1.713 1.00 96.70 O +ATOM 999 CB GLU A 128 6.611 10.111 1.483 1.00 96.59 C +ATOM 1000 CG GLU A 128 6.334 11.463 2.156 1.00 94.86 C +ATOM 1001 CD GLU A 128 7.124 11.737 3.457 1.00 93.86 C +ATOM 1002 OE1 GLU A 128 6.926 12.832 4.017 1.00 83.60 O +ATOM 1003 OE2 GLU A 128 7.874 10.867 3.929 1.00 81.69 O +ATOM 1004 N GLY A 129 6.002 7.472 -0.117 1.00 96.95 N +ATOM 1005 CA GLY A 129 6.347 6.317 -0.935 1.00 96.92 C +ATOM 1006 C GLY A 129 5.461 6.158 -2.170 1.00 97.04 C +ATOM 1007 O GLY A 129 5.947 5.859 -3.262 1.00 96.85 O +ATOM 1008 N MET A 130 4.180 6.420 -2.030 1.00 96.65 N +ATOM 1009 CA MET A 130 3.222 6.338 -3.140 1.00 96.71 C +ATOM 1010 C MET A 130 3.378 7.482 -4.149 1.00 96.68 C +ATOM 1011 O MET A 130 3.252 7.240 -5.344 1.00 96.49 O +ATOM 1012 CB MET A 130 1.800 6.299 -2.582 1.00 96.68 C +ATOM 1013 CG MET A 130 1.480 4.967 -1.908 1.00 96.51 C +ATOM 1014 SD MET A 130 1.623 3.469 -2.913 1.00 96.29 S +ATOM 1015 CE MET A 130 0.469 3.827 -4.230 1.00 95.33 C +ATOM 1016 N ALA A 131 3.686 8.687 -3.683 1.00 96.79 N +ATOM 1017 CA ALA A 131 3.987 9.813 -4.560 1.00 96.70 C +ATOM 1018 C ALA A 131 5.225 9.518 -5.420 1.00 96.67 C +ATOM 1019 O ALA A 131 5.191 9.720 -6.632 1.00 96.45 O +ATOM 1020 CB ALA A 131 4.192 11.070 -3.711 1.00 96.59 C +ATOM 1021 N TYR A 132 6.258 8.953 -4.816 1.00 96.73 N +ATOM 1022 CA TYR A 132 7.426 8.483 -5.554 1.00 96.60 C +ATOM 1023 C TYR A 132 7.058 7.405 -6.586 1.00 96.66 C +ATOM 1024 O TYR A 132 7.434 7.513 -7.743 1.00 96.42 O +ATOM 1025 CB TYR A 132 8.471 7.963 -4.574 1.00 96.47 C +ATOM 1026 CG TYR A 132 9.589 7.206 -5.256 1.00 96.29 C +ATOM 1027 CD1 TYR A 132 10.653 7.901 -5.856 1.00 95.87 C +ATOM 1028 CD2 TYR A 132 9.542 5.806 -5.328 1.00 95.69 C +ATOM 1029 CE1 TYR A 132 11.686 7.195 -6.512 1.00 95.09 C +ATOM 1030 CE2 TYR A 132 10.560 5.095 -5.988 1.00 95.29 C +ATOM 1031 CZ TYR A 132 11.624 5.786 -6.567 1.00 95.21 C +ATOM 1032 OH TYR A 132 12.630 5.094 -7.216 1.00 94.31 O +ATOM 1033 N LEU A 133 6.274 6.405 -6.198 1.00 96.56 N +ATOM 1034 CA LEU A 133 5.842 5.335 -7.091 1.00 96.51 C +ATOM 1035 C LEU A 133 5.107 5.880 -8.320 1.00 96.57 C +ATOM 1036 O LEU A 133 5.401 5.486 -9.453 1.00 96.21 O +ATOM 1037 CB LEU A 133 4.973 4.349 -6.297 1.00 96.22 C +ATOM 1038 CG LEU A 133 4.581 3.099 -7.093 1.00 95.11 C +ATOM 1039 CD1 LEU A 133 3.519 2.300 -6.343 1.00 94.32 C +ATOM 1040 CD2 LEU A 133 5.781 2.188 -7.328 1.00 93.50 C +ATOM 1041 N HIS A 134 4.190 6.789 -8.106 1.00 96.36 N +ATOM 1042 CA HIS A 134 3.454 7.447 -9.178 1.00 96.27 C +ATOM 1043 C HIS A 134 4.364 8.303 -10.058 1.00 96.15 C +ATOM 1044 O HIS A 134 4.207 8.279 -11.272 1.00 95.86 O +ATOM 1045 CB HIS A 134 2.329 8.286 -8.575 1.00 96.21 C +ATOM 1046 CG HIS A 134 1.168 7.477 -8.057 1.00 96.26 C +ATOM 1047 ND1 HIS A 134 -0.035 8.033 -7.621 1.00 95.49 N1+ +ATOM 1048 CD2 HIS A 134 1.049 6.114 -7.983 1.00 95.24 C +ATOM 1049 CE1 HIS A 134 -0.860 7.032 -7.297 1.00 94.92 C +ATOM 1050 NE2 HIS A 134 -0.238 5.848 -7.506 1.00 95.12 N +ATOM 1051 N ALA A 135 5.335 8.995 -9.484 1.00 96.47 N +ATOM 1052 CA ALA A 135 6.339 9.732 -10.254 1.00 96.29 C +ATOM 1053 C ALA A 135 7.211 8.827 -11.130 1.00 96.36 C +ATOM 1054 O ALA A 135 7.706 9.248 -12.176 1.00 95.94 O +ATOM 1055 CB ALA A 135 7.185 10.559 -9.292 1.00 95.89 C +ATOM 1056 N GLN A 136 7.349 7.558 -10.761 1.00 96.27 N +ATOM 1057 CA GLN A 136 7.987 6.518 -11.588 1.00 96.22 C +ATOM 1058 C GLN A 136 7.014 5.865 -12.588 1.00 96.36 C +ATOM 1059 O GLN A 136 7.373 4.867 -13.232 1.00 95.91 O +ATOM 1060 CB GLN A 136 8.651 5.466 -10.686 1.00 95.77 C +ATOM 1061 CG GLN A 136 9.730 6.033 -9.751 1.00 94.08 C +ATOM 1062 CD GLN A 136 10.808 6.830 -10.472 1.00 92.29 C +ATOM 1063 OE1 GLN A 136 11.499 6.328 -11.332 1.00 85.97 O +ATOM 1064 NE2 GLN A 136 10.961 8.087 -10.138 1.00 84.39 N +ATOM 1065 N HIS A 137 5.824 6.385 -12.734 1.00 96.11 N +ATOM 1066 CA HIS A 137 4.770 5.886 -13.632 1.00 96.05 C +ATOM 1067 C HIS A 137 4.249 4.474 -13.310 1.00 96.33 C +ATOM 1068 O HIS A 137 3.813 3.747 -14.204 1.00 95.91 O +ATOM 1069 CB HIS A 137 5.170 6.061 -15.098 1.00 95.43 C +ATOM 1070 CG HIS A 137 5.567 7.464 -15.444 1.00 94.22 C +ATOM 1071 ND1 HIS A 137 4.740 8.569 -15.422 1.00 90.97 N1+ +ATOM 1072 CD2 HIS A 137 6.811 7.913 -15.803 1.00 87.85 C +ATOM 1073 CE1 HIS A 137 5.453 9.639 -15.765 1.00 86.94 C +ATOM 1074 NE2 HIS A 137 6.728 9.276 -16.008 1.00 89.35 N +ATOM 1075 N TYR A 138 4.226 4.116 -12.068 1.00 96.12 N +ATOM 1076 CA TYR A 138 3.608 2.866 -11.618 1.00 96.18 C +ATOM 1077 C TYR A 138 2.343 3.114 -10.809 1.00 96.29 C +ATOM 1078 O TYR A 138 2.232 4.077 -10.066 1.00 96.00 O +ATOM 1079 CB TYR A 138 4.608 2.041 -10.804 1.00 96.06 C +ATOM 1080 CG TYR A 138 5.839 1.622 -11.592 1.00 95.87 C +ATOM 1081 CD1 TYR A 138 5.739 0.643 -12.599 1.00 95.34 C +ATOM 1082 CD2 TYR A 138 7.085 2.221 -11.326 1.00 95.16 C +ATOM 1083 CE1 TYR A 138 6.880 0.277 -13.342 1.00 94.60 C +ATOM 1084 CE2 TYR A 138 8.226 1.863 -12.060 1.00 94.66 C +ATOM 1085 CZ TYR A 138 8.115 0.889 -13.065 1.00 94.64 C +ATOM 1086 OH TYR A 138 9.226 0.528 -13.797 1.00 94.08 O +ATOM 1087 N ILE A 139 1.413 2.194 -10.909 1.00 96.12 N +ATOM 1088 CA ILE A 139 0.246 2.072 -10.024 1.00 96.09 C +ATOM 1089 C ILE A 139 0.434 0.824 -9.170 1.00 96.22 C +ATOM 1090 O ILE A 139 0.743 -0.243 -9.711 1.00 95.84 O +ATOM 1091 CB ILE A 139 -1.070 2.007 -10.835 1.00 95.49 C +ATOM 1092 CG1 ILE A 139 -1.227 3.236 -11.755 1.00 92.60 C +ATOM 1093 CG2 ILE A 139 -2.273 1.916 -9.886 1.00 91.50 C +ATOM 1094 CD1 ILE A 139 -2.461 3.153 -12.674 1.00 86.08 C +ATOM 1095 N HIS A 140 0.229 0.922 -7.870 1.00 96.27 N +ATOM 1096 CA HIS A 140 0.433 -0.198 -6.942 1.00 96.24 C +ATOM 1097 C HIS A 140 -0.678 -1.242 -7.041 1.00 96.21 C +ATOM 1098 O HIS A 140 -0.407 -2.440 -7.054 1.00 95.80 O +ATOM 1099 CB HIS A 140 0.575 0.353 -5.521 1.00 96.17 C +ATOM 1100 CG HIS A 140 0.978 -0.699 -4.535 1.00 96.14 C +ATOM 1101 ND1 HIS A 140 0.144 -1.598 -3.888 1.00 95.13 N1+ +ATOM 1102 CD2 HIS A 140 2.253 -0.972 -4.121 1.00 94.78 C +ATOM 1103 CE1 HIS A 140 0.904 -2.387 -3.107 1.00 94.44 C +ATOM 1104 NE2 HIS A 140 2.185 -2.026 -3.230 1.00 94.79 N +ATOM 1105 N ARG A 141 -1.918 -0.803 -7.076 1.00 96.18 N +ATOM 1106 CA ARG A 141 -3.148 -1.611 -7.185 1.00 96.04 C +ATOM 1107 C ARG A 141 -3.449 -2.535 -5.992 1.00 96.08 C +ATOM 1108 O ARG A 141 -4.441 -3.265 -6.035 1.00 95.57 O +ATOM 1109 CB ARG A 141 -3.169 -2.398 -8.506 1.00 95.49 C +ATOM 1110 CG ARG A 141 -3.095 -1.526 -9.748 1.00 94.01 C +ATOM 1111 CD ARG A 141 -2.957 -2.381 -11.021 1.00 92.62 C +ATOM 1112 NE ARG A 141 -4.034 -3.366 -11.136 1.00 90.01 N +ATOM 1113 CZ ARG A 141 -3.925 -4.664 -11.362 1.00 88.35 C +ATOM 1114 NH1 ARG A 141 -2.791 -5.238 -11.592 1.00 85.66 N +ATOM 1115 NH2 ARG A 141 -4.975 -5.409 -11.372 1.00 86.26 N1+ +ATOM 1116 N ASN A 142 -2.644 -2.528 -4.961 1.00 96.03 N +ATOM 1117 CA ASN A 142 -2.847 -3.371 -3.788 1.00 95.84 C +ATOM 1118 C ASN A 142 -2.404 -2.686 -2.478 1.00 95.99 C +ATOM 1119 O ASN A 142 -1.951 -3.349 -1.536 1.00 95.61 O +ATOM 1120 CB ASN A 142 -2.136 -4.707 -4.025 1.00 95.29 C +ATOM 1121 CG ASN A 142 -2.551 -5.812 -3.069 1.00 93.32 C +ATOM 1122 OD1 ASN A 142 -3.569 -5.768 -2.401 1.00 88.12 O +ATOM 1123 ND2 ASN A 142 -1.769 -6.861 -3.017 1.00 84.15 N +ATOM 1124 N LEU A 143 -2.523 -1.378 -2.413 1.00 96.32 N +ATOM 1125 CA LEU A 143 -2.205 -0.639 -1.201 1.00 96.31 C +ATOM 1126 C LEU A 143 -3.219 -0.982 -0.100 1.00 96.27 C +ATOM 1127 O LEU A 143 -4.419 -0.802 -0.265 1.00 95.91 O +ATOM 1128 CB LEU A 143 -2.152 0.862 -1.508 1.00 96.32 C +ATOM 1129 CG LEU A 143 -1.742 1.722 -0.295 1.00 96.09 C +ATOM 1130 CD1 LEU A 143 -1.773 3.199 -0.694 1.00 95.81 C +ATOM 1131 CD2 LEU A 143 -0.334 1.388 0.209 1.00 95.66 C +ATOM 1132 N ALA A 144 -2.725 -1.500 1.000 1.00 95.85 N +ATOM 1133 CA ALA A 144 -3.470 -1.914 2.170 1.00 95.73 C +ATOM 1134 C ALA A 144 -2.511 -2.072 3.356 1.00 95.83 C +ATOM 1135 O ALA A 144 -1.326 -2.325 3.147 1.00 95.53 O +ATOM 1136 CB ALA A 144 -4.159 -3.250 1.868 1.00 95.45 C +ATOM 1137 N ALA A 145 -3.002 -2.037 4.587 1.00 95.94 N +ATOM 1138 CA ALA A 145 -2.161 -2.161 5.785 1.00 95.93 C +ATOM 1139 C ALA A 145 -1.359 -3.474 5.844 1.00 96.01 C +ATOM 1140 O ALA A 145 -0.247 -3.498 6.366 1.00 95.74 O +ATOM 1141 CB ALA A 145 -3.055 -2.024 7.013 1.00 95.73 C +ATOM 1142 N ARG A 146 -1.876 -4.553 5.262 1.00 95.69 N +ATOM 1143 CA ARG A 146 -1.147 -5.831 5.123 1.00 95.39 C +ATOM 1144 C ARG A 146 0.106 -5.755 4.254 1.00 95.56 C +ATOM 1145 O ARG A 146 0.967 -6.616 4.387 1.00 94.94 O +ATOM 1146 CB ARG A 146 -2.094 -6.915 4.581 1.00 94.55 C +ATOM 1147 CG ARG A 146 -2.511 -6.660 3.122 1.00 90.13 C +ATOM 1148 CD ARG A 146 -3.407 -7.762 2.561 1.00 87.74 C +ATOM 1149 NE ARG A 146 -3.805 -7.442 1.190 1.00 82.37 N +ATOM 1150 CZ ARG A 146 -4.864 -6.730 0.814 1.00 79.11 C +ATOM 1151 NH1 ARG A 146 -5.757 -6.328 1.674 1.00 71.37 N +ATOM 1152 NH2 ARG A 146 -5.017 -6.408 -0.422 1.00 71.08 N1+ +ATOM 1153 N ASN A 147 0.176 -4.767 3.370 1.00 96.19 N +ATOM 1154 CA ASN A 147 1.276 -4.558 2.428 1.00 96.10 C +ATOM 1155 C ASN A 147 2.170 -3.376 2.823 1.00 96.21 C +ATOM 1156 O ASN A 147 3.058 -3.007 2.061 1.00 95.89 O +ATOM 1157 CB ASN A 147 0.690 -4.393 1.009 1.00 95.88 C +ATOM 1158 CG ASN A 147 -0.013 -5.640 0.501 1.00 95.31 C +ATOM 1159 OD1 ASN A 147 0.153 -6.735 1.011 1.00 93.78 O +ATOM 1160 ND2 ASN A 147 -0.813 -5.517 -0.530 1.00 93.09 N +ATOM 1161 N VAL A 148 1.942 -2.795 3.972 1.00 96.50 N +ATOM 1162 CA VAL A 148 2.821 -1.803 4.577 1.00 96.49 C +ATOM 1163 C VAL A 148 3.551 -2.457 5.740 1.00 96.49 C +ATOM 1164 O VAL A 148 2.932 -2.940 6.688 1.00 96.27 O +ATOM 1165 CB VAL A 148 2.048 -0.552 5.009 1.00 96.46 C +ATOM 1166 CG1 VAL A 148 1.284 0.076 3.839 1.00 96.30 C +ATOM 1167 CG2 VAL A 148 3.028 0.502 5.552 1.00 96.36 C +ATOM 1168 N LEU A 149 4.860 -2.497 5.655 1.00 96.81 N +ATOM 1169 CA LEU A 149 5.740 -3.133 6.621 1.00 96.71 C +ATOM 1170 C LEU A 149 6.371 -2.082 7.534 1.00 96.79 C +ATOM 1171 O LEU A 149 6.677 -0.979 7.112 1.00 96.42 O +ATOM 1172 CB LEU A 149 6.814 -3.941 5.879 1.00 96.35 C +ATOM 1173 CG LEU A 149 6.276 -4.978 4.885 1.00 95.23 C +ATOM 1174 CD1 LEU A 149 7.458 -5.626 4.164 1.00 94.16 C +ATOM 1175 CD2 LEU A 149 5.479 -6.084 5.566 1.00 92.83 C +ATOM 1176 N LEU A 150 6.587 -2.441 8.779 1.00 96.28 N +ATOM 1177 CA LEU A 150 7.165 -1.582 9.799 1.00 96.13 C +ATOM 1178 C LEU A 150 8.609 -2.019 10.089 1.00 96.17 C +ATOM 1179 O LEU A 150 8.844 -3.129 10.574 1.00 95.66 O +ATOM 1180 CB LEU A 150 6.248 -1.641 11.028 1.00 95.56 C +ATOM 1181 CG LEU A 150 6.630 -0.669 12.152 1.00 92.84 C +ATOM 1182 CD1 LEU A 150 5.719 -0.906 13.350 1.00 90.76 C +ATOM 1183 CD2 LEU A 150 6.461 0.794 11.746 1.00 88.64 C +ATOM 1184 N ASP A 151 9.544 -1.130 9.803 1.00 95.24 N +ATOM 1185 CA ASP A 151 10.970 -1.384 10.023 1.00 95.02 C +ATOM 1186 C ASP A 151 11.359 -1.108 11.477 1.00 95.07 C +ATOM 1187 O ASP A 151 12.028 -1.907 12.130 1.00 94.27 O +ATOM 1188 CB ASP A 151 11.761 -0.507 9.047 1.00 94.06 C +ATOM 1189 CG ASP A 151 13.255 -0.839 9.011 1.00 90.98 C +ATOM 1190 OD1 ASP A 151 13.591 -2.046 9.104 1.00 86.31 O +ATOM 1191 OD2 ASP A 151 14.044 0.104 8.822 1.00 82.90 O +ATOM 1192 N ASN A 152 10.893 0.010 12.000 1.00 95.08 N +ATOM 1193 CA ASN A 152 11.015 0.407 13.396 1.00 94.92 C +ATOM 1194 C ASN A 152 9.810 1.266 13.788 1.00 94.99 C +ATOM 1195 O ASN A 152 8.918 1.503 12.983 1.00 94.48 O +ATOM 1196 CB ASN A 152 12.366 1.127 13.598 1.00 94.50 C +ATOM 1197 CG ASN A 152 12.500 2.383 12.755 1.00 93.77 C +ATOM 1198 OD1 ASN A 152 11.780 3.353 12.964 1.00 91.58 O +ATOM 1199 ND2 ASN A 152 13.416 2.408 11.822 1.00 90.51 N +ATOM 1200 N ASP A 153 9.778 1.780 14.991 1.00 93.61 N +ATOM 1201 CA ASP A 153 8.656 2.572 15.532 1.00 93.50 C +ATOM 1202 C ASP A 153 8.350 3.866 14.753 1.00 93.86 C +ATOM 1203 O ASP A 153 7.321 4.483 15.003 1.00 92.57 O +ATOM 1204 CB ASP A 153 8.927 2.857 17.019 1.00 91.90 C +ATOM 1205 CG ASP A 153 10.114 3.793 17.296 1.00 86.10 C +ATOM 1206 OD1 ASP A 153 11.089 3.744 16.518 1.00 77.43 O +ATOM 1207 OD2 ASP A 153 10.044 4.563 18.256 1.00 75.26 O +ATOM 1208 N ARG A 154 9.198 4.269 13.832 1.00 93.65 N +ATOM 1209 CA ARG A 154 9.063 5.513 13.055 1.00 93.39 C +ATOM 1210 C ARG A 154 9.152 5.336 11.546 1.00 94.07 C +ATOM 1211 O ARG A 154 9.067 6.334 10.848 1.00 92.74 O +ATOM 1212 CB ARG A 154 10.114 6.534 13.523 1.00 91.15 C +ATOM 1213 CG ARG A 154 9.917 6.920 14.986 1.00 81.92 C +ATOM 1214 CD ARG A 154 10.882 8.033 15.342 1.00 74.41 C +ATOM 1215 NE ARG A 154 10.739 8.389 16.770 1.00 67.82 N +ATOM 1216 CZ ARG A 154 11.306 9.425 17.391 1.00 60.17 C +ATOM 1217 NH1 ARG A 154 12.092 10.243 16.745 1.00 53.10 N +ATOM 1218 NH2 ARG A 154 11.094 9.628 18.660 1.00 50.22 N1+ +ATOM 1219 N LEU A 155 9.354 4.147 11.034 1.00 96.23 N +ATOM 1220 CA LEU A 155 9.625 3.942 9.617 1.00 96.27 C +ATOM 1221 C LEU A 155 8.789 2.813 9.038 1.00 96.45 C +ATOM 1222 O LEU A 155 8.962 1.652 9.414 1.00 96.05 O +ATOM 1223 CB LEU A 155 11.122 3.698 9.415 1.00 95.86 C +ATOM 1224 CG LEU A 155 11.554 3.546 7.946 1.00 94.50 C +ATOM 1225 CD1 LEU A 155 13.054 3.248 7.870 1.00 93.58 C +ATOM 1226 CD2 LEU A 155 11.297 4.807 7.137 1.00 92.23 C +ATOM 1227 N VAL A 156 7.940 3.147 8.079 1.00 96.63 N +ATOM 1228 CA VAL A 156 7.178 2.180 7.297 1.00 96.67 C +ATOM 1229 C VAL A 156 7.695 2.089 5.869 1.00 96.75 C +ATOM 1230 O VAL A 156 8.229 3.049 5.319 1.00 96.39 O +ATOM 1231 CB VAL A 156 5.671 2.460 7.319 1.00 96.35 C +ATOM 1232 CG1 VAL A 156 5.112 2.321 8.727 1.00 95.24 C +ATOM 1233 CG2 VAL A 156 5.290 3.819 6.741 1.00 94.83 C +ATOM 1234 N LYS A 157 7.480 0.937 5.270 1.00 96.86 N +ATOM 1235 CA LYS A 157 7.845 0.648 3.882 1.00 96.75 C +ATOM 1236 C LYS A 157 6.712 -0.085 3.172 1.00 96.82 C +ATOM 1237 O LYS A 157 6.186 -1.066 3.686 1.00 96.52 O +ATOM 1238 CB LYS A 157 9.130 -0.177 3.829 1.00 96.44 C +ATOM 1239 CG LYS A 157 10.299 0.541 4.515 1.00 95.74 C +ATOM 1240 CD LYS A 157 11.617 -0.180 4.282 1.00 95.01 C +ATOM 1241 CE LYS A 157 12.736 0.586 5.001 1.00 93.56 C +ATOM 1242 NZ LYS A 157 14.074 0.169 4.542 1.00 91.65 N1+ +ATOM 1243 N ILE A 158 6.384 0.368 1.981 1.00 96.67 N +ATOM 1244 CA ILE A 158 5.403 -0.279 1.121 1.00 96.71 C +ATOM 1245 C ILE A 158 6.045 -1.511 0.484 1.00 96.75 C +ATOM 1246 O ILE A 158 7.167 -1.447 -0.018 1.00 96.52 O +ATOM 1247 CB ILE A 158 4.866 0.707 0.069 1.00 96.65 C +ATOM 1248 CG1 ILE A 158 4.252 1.952 0.741 1.00 96.34 C +ATOM 1249 CG2 ILE A 158 3.820 0.025 -0.829 1.00 96.30 C +ATOM 1250 CD1 ILE A 158 4.036 3.119 -0.220 1.00 95.70 C +ATOM 1251 N GLY A 159 5.337 -2.621 0.498 1.00 95.84 N +ATOM 1252 CA GLY A 159 5.733 -3.869 -0.138 1.00 95.56 C +ATOM 1253 C GLY A 159 4.642 -4.458 -1.029 1.00 95.70 C +ATOM 1254 O GLY A 159 3.620 -3.830 -1.307 1.00 94.93 O +ATOM 1255 N ASP A 160 4.855 -5.680 -1.466 1.00 94.72 N +ATOM 1256 CA ASP A 160 3.984 -6.477 -2.339 1.00 94.54 C +ATOM 1257 C ASP A 160 3.580 -5.792 -3.651 1.00 94.81 C +ATOM 1258 O ASP A 160 2.416 -5.495 -3.920 1.00 93.70 O +ATOM 1259 CB ASP A 160 2.799 -7.075 -1.583 1.00 93.09 C +ATOM 1260 CG ASP A 160 2.153 -8.224 -2.363 1.00 86.44 C +ATOM 1261 OD1 ASP A 160 2.694 -8.659 -3.403 1.00 74.07 O +ATOM 1262 OD2 ASP A 160 1.114 -8.731 -1.919 1.00 72.15 O +ATOM 1263 N PHE A 161 4.547 -5.650 -4.524 1.00 95.52 N +ATOM 1264 CA PHE A 161 4.360 -5.102 -5.869 1.00 95.52 C +ATOM 1265 C PHE A 161 3.785 -6.115 -6.879 1.00 95.41 C +ATOM 1266 O PHE A 161 3.824 -5.882 -8.076 1.00 94.32 O +ATOM 1267 CB PHE A 161 5.671 -4.471 -6.331 1.00 95.13 C +ATOM 1268 CG PHE A 161 6.023 -3.231 -5.535 1.00 95.19 C +ATOM 1269 CD1 PHE A 161 5.632 -1.968 -6.005 1.00 94.10 C +ATOM 1270 CD2 PHE A 161 6.685 -3.338 -4.307 1.00 93.88 C +ATOM 1271 CE1 PHE A 161 5.871 -0.822 -5.231 1.00 92.89 C +ATOM 1272 CE2 PHE A 161 6.928 -2.200 -3.518 1.00 93.19 C +ATOM 1273 CZ PHE A 161 6.517 -0.942 -3.988 1.00 93.42 C +ATOM 1274 N GLY A 162 3.206 -7.205 -6.398 1.00 94.87 N +ATOM 1275 CA GLY A 162 2.672 -8.274 -7.246 1.00 94.59 C +ATOM 1276 C GLY A 162 1.559 -7.844 -8.203 1.00 94.85 C +ATOM 1277 O GLY A 162 1.435 -8.397 -9.299 1.00 94.04 O +ATOM 1278 N LEU A 163 0.769 -6.853 -7.830 1.00 95.37 N +ATOM 1279 CA LEU A 163 -0.265 -6.263 -8.682 1.00 95.46 C +ATOM 1280 C LEU A 163 0.175 -4.963 -9.365 1.00 95.49 C +ATOM 1281 O LEU A 163 -0.577 -4.450 -10.198 1.00 94.92 O +ATOM 1282 CB LEU A 163 -1.538 -6.052 -7.859 1.00 95.23 C +ATOM 1283 CG LEU A 163 -2.247 -7.350 -7.432 1.00 94.57 C +ATOM 1284 CD1 LEU A 163 -3.534 -6.995 -6.668 1.00 93.90 C +ATOM 1285 CD2 LEU A 163 -2.656 -8.194 -8.637 1.00 93.22 C +ATOM 1286 N ALA A 164 1.339 -4.431 -9.042 1.00 95.93 N +ATOM 1287 CA ALA A 164 1.798 -3.172 -9.592 1.00 95.86 C +ATOM 1288 C ALA A 164 1.930 -3.234 -11.113 1.00 95.92 C +ATOM 1289 O ALA A 164 2.300 -4.253 -11.699 1.00 95.32 O +ATOM 1290 CB ALA A 164 3.101 -2.754 -8.906 1.00 95.47 C +ATOM 1291 N LYS A 165 1.607 -2.130 -11.769 1.00 95.49 N +ATOM 1292 CA LYS A 165 1.671 -2.019 -13.229 1.00 95.25 C +ATOM 1293 C LYS A 165 2.250 -0.666 -13.632 1.00 95.52 C +ATOM 1294 O LYS A 165 1.944 0.341 -13.011 1.00 95.03 O +ATOM 1295 CB LYS A 165 0.293 -2.193 -13.848 1.00 94.41 C +ATOM 1296 CG LYS A 165 -0.288 -3.610 -13.697 1.00 90.24 C +ATOM 1297 CD LYS A 165 0.534 -4.685 -14.415 1.00 86.25 C +ATOM 1298 CE LYS A 165 -0.062 -6.062 -14.161 1.00 79.71 C +ATOM 1299 NZ LYS A 165 0.772 -7.133 -14.762 1.00 73.04 N1+ +ATOM 1300 N ALA A 166 3.024 -0.670 -14.681 1.00 94.89 N +ATOM 1301 CA ALA A 166 3.387 0.549 -15.372 1.00 94.80 C +ATOM 1302 C ALA A 166 2.168 1.124 -16.108 1.00 94.78 C +ATOM 1303 O ALA A 166 1.418 0.391 -16.769 1.00 93.96 O +ATOM 1304 CB ALA A 166 4.533 0.250 -16.340 1.00 94.11 C +ATOM 1305 N VAL A 167 1.988 2.422 -15.992 1.00 93.29 N +ATOM 1306 CA VAL A 167 1.012 3.135 -16.800 1.00 93.02 C +ATOM 1307 C VAL A 167 1.642 3.377 -18.168 1.00 92.85 C +ATOM 1308 O VAL A 167 2.710 3.973 -18.232 1.00 91.90 O +ATOM 1309 CB VAL A 167 0.572 4.451 -16.141 1.00 92.38 C +ATOM 1310 CG1 VAL A 167 -0.033 4.176 -14.771 1.00 91.08 C +ATOM 1311 CG2 VAL A 167 -0.489 5.166 -16.984 1.00 91.30 C +ATOM 1312 N PRO A 168 1.030 2.931 -19.261 1.00 90.12 N +ATOM 1313 CA PRO A 168 1.569 3.168 -20.581 1.00 89.42 C +ATOM 1314 C PRO A 168 1.694 4.655 -20.872 1.00 89.35 C +ATOM 1315 O PRO A 168 0.822 5.437 -20.489 1.00 88.02 O +ATOM 1316 CB PRO A 168 0.626 2.475 -21.569 1.00 88.00 C +ATOM 1317 CG PRO A 168 -0.091 1.437 -20.710 1.00 86.46 C +ATOM 1318 CD PRO A 168 -0.172 2.105 -19.344 1.00 87.96 C +ATOM 1319 N GLU A 169 2.734 5.053 -21.568 1.00 87.02 N +ATOM 1320 CA GLU A 169 2.953 6.428 -21.929 1.00 86.56 C +ATOM 1321 C GLU A 169 1.757 6.974 -22.714 1.00 86.61 C +ATOM 1322 O GLU A 169 1.188 6.295 -23.586 1.00 82.60 O +ATOM 1323 CB GLU A 169 4.253 6.539 -22.741 1.00 83.37 C +ATOM 1324 CG GLU A 169 4.700 7.995 -22.955 1.00 76.50 C +ATOM 1325 CD GLU A 169 6.040 8.140 -23.653 1.00 70.97 C +ATOM 1326 OE1 GLU A 169 6.553 9.283 -23.677 1.00 61.30 O +ATOM 1327 OE2 GLU A 169 6.565 7.122 -24.149 1.00 59.64 O +ATOM 1328 N GLY A 170 1.359 8.197 -22.411 1.00 87.13 N +ATOM 1329 CA GLY A 170 0.183 8.829 -23.001 1.00 86.96 C +ATOM 1330 C GLY A 170 -1.173 8.298 -22.496 1.00 87.75 C +ATOM 1331 O GLY A 170 -2.202 8.729 -22.994 1.00 85.92 O +ATOM 1332 N HIS A 171 -1.177 7.415 -21.529 1.00 88.05 N +ATOM 1333 CA HIS A 171 -2.392 6.916 -20.881 1.00 88.15 C +ATOM 1334 C HIS A 171 -2.508 7.445 -19.459 1.00 88.95 C +ATOM 1335 O HIS A 171 -1.522 7.649 -18.774 1.00 87.29 O +ATOM 1336 CB HIS A 171 -2.429 5.386 -20.918 1.00 87.08 C +ATOM 1337 CG HIS A 171 -2.571 4.807 -22.307 1.00 86.91 C +ATOM 1338 ND1 HIS A 171 -1.556 4.769 -23.240 1.00 78.38 N1+ +ATOM 1339 CD2 HIS A 171 -3.688 4.254 -22.869 1.00 78.47 C +ATOM 1340 CE1 HIS A 171 -2.044 4.194 -24.356 1.00 77.66 C +ATOM 1341 NE2 HIS A 171 -3.338 3.871 -24.163 1.00 80.05 N +ATOM 1342 N GLU A 172 -3.723 7.580 -19.001 1.00 89.90 N +ATOM 1343 CA GLU A 172 -4.025 7.984 -17.619 1.00 89.88 C +ATOM 1344 C GLU A 172 -4.331 6.798 -16.709 1.00 90.71 C +ATOM 1345 O GLU A 172 -4.349 6.930 -15.481 1.00 88.58 O +ATOM 1346 CB GLU A 172 -5.192 8.963 -17.622 1.00 87.21 C +ATOM 1347 CG GLU A 172 -4.880 10.266 -18.400 1.00 80.21 C +ATOM 1348 CD GLU A 172 -6.010 11.280 -18.354 1.00 77.48 C +ATOM 1349 OE1 GLU A 172 -5.742 12.452 -18.715 1.00 65.36 O +ATOM 1350 OE2 GLU A 172 -7.149 10.918 -17.966 1.00 63.21 O +ATOM 1351 N TYR A 173 -4.576 5.637 -17.280 1.00 92.04 N +ATOM 1352 CA TYR A 173 -4.964 4.449 -16.555 1.00 92.59 C +ATOM 1353 C TYR A 173 -4.368 3.173 -17.161 1.00 92.79 C +ATOM 1354 O TYR A 173 -4.051 3.097 -18.345 1.00 91.31 O +ATOM 1355 CB TYR A 173 -6.490 4.352 -16.471 1.00 91.69 C +ATOM 1356 CG TYR A 173 -7.197 4.163 -17.806 1.00 91.98 C +ATOM 1357 CD1 TYR A 173 -7.667 5.264 -18.535 1.00 90.92 C +ATOM 1358 CD2 TYR A 173 -7.404 2.871 -18.331 1.00 90.99 C +ATOM 1359 CE1 TYR A 173 -8.311 5.094 -19.769 1.00 90.10 C +ATOM 1360 CE2 TYR A 173 -8.047 2.687 -19.560 1.00 90.39 C +ATOM 1361 CZ TYR A 173 -8.502 3.800 -20.287 1.00 90.68 C +ATOM 1362 OH TYR A 173 -9.145 3.626 -21.498 1.00 88.44 O +ATOM 1363 N TYR A 174 -4.319 2.144 -16.341 1.00 92.92 N +ATOM 1364 CA TYR A 174 -4.109 0.771 -16.754 1.00 92.89 C +ATOM 1365 C TYR A 174 -5.443 0.015 -16.739 1.00 92.95 C +ATOM 1366 O TYR A 174 -6.262 0.202 -15.846 1.00 91.92 O +ATOM 1367 CB TYR A 174 -3.078 0.134 -15.830 1.00 91.89 C +ATOM 1368 CG TYR A 174 -2.813 -1.318 -16.173 1.00 90.59 C +ATOM 1369 CD1 TYR A 174 -1.950 -1.648 -17.239 1.00 88.50 C +ATOM 1370 CD2 TYR A 174 -3.465 -2.343 -15.462 1.00 87.69 C +ATOM 1371 CE1 TYR A 174 -1.743 -2.992 -17.587 1.00 86.12 C +ATOM 1372 CE2 TYR A 174 -3.264 -3.689 -15.812 1.00 86.93 C +ATOM 1373 CZ TYR A 174 -2.403 -4.004 -16.873 1.00 86.65 C +ATOM 1374 OH TYR A 174 -2.183 -5.312 -17.214 1.00 84.47 O +ATOM 1375 N ARG A 175 -5.687 -0.849 -17.722 1.00 91.92 N +ATOM 1376 CA ARG A 175 -6.884 -1.683 -17.773 1.00 91.62 C +ATOM 1377 C ARG A 175 -6.534 -3.142 -17.548 1.00 91.49 C +ATOM 1378 O ARG A 175 -5.733 -3.696 -18.298 1.00 90.41 O +ATOM 1379 CB ARG A 175 -7.650 -1.460 -19.081 1.00 90.83 C +ATOM 1380 CG ARG A 175 -9.092 -1.947 -18.974 1.00 87.56 C +ATOM 1381 CD ARG A 175 -9.853 -1.631 -20.260 1.00 86.83 C +ATOM 1382 NE ARG A 175 -11.298 -1.603 -20.015 1.00 83.38 N +ATOM 1383 CZ ARG A 175 -12.219 -1.186 -20.858 1.00 81.77 C +ATOM 1384 NH1 ARG A 175 -11.929 -0.845 -22.089 1.00 76.14 N +ATOM 1385 NH2 ARG A 175 -13.447 -1.082 -20.485 1.00 76.99 N1+ +ATOM 1386 N VAL A 176 -7.179 -3.758 -16.588 1.00 88.69 N +ATOM 1387 CA VAL A 176 -7.029 -5.185 -16.332 1.00 88.29 C +ATOM 1388 C VAL A 176 -7.968 -5.973 -17.252 1.00 87.89 C +ATOM 1389 O VAL A 176 -9.065 -5.542 -17.558 1.00 85.27 O +ATOM 1390 CB VAL A 176 -7.267 -5.507 -14.850 1.00 86.44 C +ATOM 1391 CG1 VAL A 176 -6.277 -4.732 -13.999 1.00 84.75 C +ATOM 1392 CG2 VAL A 176 -7.069 -6.988 -14.505 1.00 84.04 C +ATOM 1393 N ARG A 177 -7.498 -7.113 -17.694 1.00 81.06 N +ATOM 1394 CA ARG A 177 -8.275 -8.030 -18.551 1.00 80.18 C +ATOM 1395 C ARG A 177 -8.510 -9.397 -17.942 1.00 80.55 C +ATOM 1396 O ARG A 177 -9.155 -10.231 -18.557 1.00 74.43 O +ATOM 1397 CB ARG A 177 -7.589 -8.175 -19.928 1.00 75.57 C +ATOM 1398 CG ARG A 177 -7.521 -6.866 -20.714 1.00 68.73 C +ATOM 1399 CD ARG A 177 -6.944 -7.159 -22.089 1.00 63.84 C +ATOM 1400 NE ARG A 177 -6.826 -5.928 -22.887 1.00 58.72 N +ATOM 1401 CZ ARG A 177 -6.415 -5.858 -24.136 1.00 51.13 C +ATOM 1402 NH1 ARG A 177 -6.048 -6.923 -24.778 1.00 49.56 N +ATOM 1403 NH2 ARG A 177 -6.362 -4.731 -24.748 1.00 45.83 N1+ +ATOM 1404 N GLU A 178 -7.923 -9.625 -16.780 1.00 76.01 N +ATOM 1405 CA GLU A 178 -7.893 -10.926 -16.149 1.00 74.04 C +ATOM 1406 C GLU A 178 -8.724 -10.908 -14.872 1.00 74.22 C +ATOM 1407 O GLU A 178 -8.564 -10.026 -14.048 1.00 69.32 O +ATOM 1408 CB GLU A 178 -6.440 -11.304 -15.867 1.00 69.61 C +ATOM 1409 CG GLU A 178 -5.612 -11.423 -17.144 1.00 64.23 C +ATOM 1410 CD GLU A 178 -4.117 -11.582 -16.901 1.00 60.31 C +ATOM 1411 OE1 GLU A 178 -3.347 -11.444 -17.884 1.00 51.86 O +ATOM 1412 OE2 GLU A 178 -3.713 -11.864 -15.753 1.00 49.56 O +ATOM 1413 N ASP A 179 -9.571 -11.912 -14.724 1.00 73.48 N +ATOM 1414 CA ASP A 179 -10.220 -12.188 -13.465 1.00 73.24 C +ATOM 1415 C ASP A 179 -9.215 -12.868 -12.523 1.00 73.81 C +ATOM 1416 O ASP A 179 -8.399 -13.695 -12.919 1.00 69.17 O +ATOM 1417 CB ASP A 179 -11.442 -13.061 -13.676 1.00 69.32 C +ATOM 1418 CG ASP A 179 -12.568 -12.334 -14.423 1.00 66.52 C +ATOM 1419 OD1 ASP A 179 -12.711 -11.115 -14.231 1.00 58.00 O +ATOM 1420 OD2 ASP A 179 -13.289 -13.011 -15.187 1.00 57.93 O +ATOM 1421 N GLY A 180 -9.259 -12.513 -11.250 1.00 75.48 N +ATOM 1422 CA GLY A 180 -8.414 -13.124 -10.239 1.00 74.67 C +ATOM 1423 C GLY A 180 -8.762 -12.595 -8.857 1.00 76.10 C +ATOM 1424 O GLY A 180 -9.588 -11.690 -8.715 1.00 71.83 O +ATOM 1425 N ASP A 181 -8.129 -13.132 -7.855 1.00 79.89 N +ATOM 1426 CA ASP A 181 -8.297 -12.676 -6.480 1.00 80.68 C +ATOM 1427 C ASP A 181 -7.820 -11.220 -6.340 1.00 82.03 C +ATOM 1428 O ASP A 181 -6.636 -10.930 -6.218 1.00 79.22 O +ATOM 1429 CB ASP A 181 -7.572 -13.608 -5.507 1.00 77.48 C +ATOM 1430 CG ASP A 181 -8.309 -14.913 -5.280 1.00 74.25 C +ATOM 1431 OD1 ASP A 181 -9.532 -14.960 -5.518 1.00 68.20 O +ATOM 1432 OD2 ASP A 181 -7.643 -15.880 -4.857 1.00 68.64 O +ATOM 1433 N SER A 182 -8.779 -10.335 -6.387 1.00 89.29 N +ATOM 1434 CA SER A 182 -8.565 -8.899 -6.291 1.00 89.62 C +ATOM 1435 C SER A 182 -8.998 -8.396 -4.911 1.00 90.04 C +ATOM 1436 O SER A 182 -10.045 -8.804 -4.411 1.00 88.99 O +ATOM 1437 CB SER A 182 -9.322 -8.192 -7.393 1.00 88.42 C +ATOM 1438 OG SER A 182 -8.747 -8.501 -8.664 1.00 84.84 O +ATOM 1439 N PRO A 183 -8.287 -7.471 -4.301 1.00 93.51 N +ATOM 1440 CA PRO A 183 -8.643 -6.883 -3.011 1.00 93.52 C +ATOM 1441 C PRO A 183 -9.794 -5.877 -3.171 1.00 93.82 C +ATOM 1442 O PRO A 183 -9.621 -4.683 -2.961 1.00 93.14 O +ATOM 1443 CB PRO A 183 -7.343 -6.283 -2.479 1.00 92.81 C +ATOM 1444 CG PRO A 183 -6.624 -5.829 -3.750 1.00 91.66 C +ATOM 1445 CD PRO A 183 -6.995 -6.942 -4.739 1.00 92.96 C +ATOM 1446 N VAL A 184 -10.969 -6.354 -3.537 1.00 95.42 N +ATOM 1447 CA VAL A 184 -12.119 -5.548 -3.970 1.00 95.42 C +ATOM 1448 C VAL A 184 -12.564 -4.513 -2.935 1.00 95.53 C +ATOM 1449 O VAL A 184 -12.949 -3.407 -3.310 1.00 95.07 O +ATOM 1450 CB VAL A 184 -13.301 -6.431 -4.382 1.00 94.90 C +ATOM 1451 CG1 VAL A 184 -12.945 -7.270 -5.602 1.00 93.59 C +ATOM 1452 CG2 VAL A 184 -13.796 -7.350 -3.266 1.00 93.33 C +ATOM 1453 N PHE A 185 -12.431 -4.806 -1.656 1.00 95.27 N +ATOM 1454 CA PHE A 185 -12.804 -3.880 -0.586 1.00 95.39 C +ATOM 1455 C PHE A 185 -11.855 -2.665 -0.454 1.00 95.44 C +ATOM 1456 O PHE A 185 -12.198 -1.711 0.240 1.00 95.11 O +ATOM 1457 CB PHE A 185 -12.884 -4.644 0.726 1.00 95.30 C +ATOM 1458 CG PHE A 185 -13.889 -5.772 0.702 1.00 95.31 C +ATOM 1459 CD1 PHE A 185 -15.259 -5.500 0.633 1.00 94.79 C +ATOM 1460 CD2 PHE A 185 -13.456 -7.108 0.752 1.00 94.76 C +ATOM 1461 CE1 PHE A 185 -16.177 -6.551 0.632 1.00 94.10 C +ATOM 1462 CE2 PHE A 185 -14.367 -8.159 0.746 1.00 94.07 C +ATOM 1463 CZ PHE A 185 -15.725 -7.889 0.688 1.00 94.10 C +ATOM 1464 N TRP A 186 -10.751 -2.681 -1.132 1.00 95.11 N +ATOM 1465 CA TRP A 186 -9.853 -1.526 -1.271 1.00 95.13 C +ATOM 1466 C TRP A 186 -10.005 -0.813 -2.624 1.00 95.19 C +ATOM 1467 O TRP A 186 -9.307 0.168 -2.860 1.00 95.02 O +ATOM 1468 CB TRP A 186 -8.405 -1.959 -1.047 1.00 95.18 C +ATOM 1469 CG TRP A 186 -8.053 -2.272 0.381 1.00 95.38 C +ATOM 1470 CD1 TRP A 186 -7.375 -1.465 1.218 1.00 95.20 C +ATOM 1471 CD2 TRP A 186 -8.405 -3.479 1.145 1.00 95.35 C +ATOM 1472 NE1 TRP A 186 -7.274 -2.082 2.473 1.00 94.98 N +ATOM 1473 CE2 TRP A 186 -7.904 -3.305 2.460 1.00 95.07 C +ATOM 1474 CE3 TRP A 186 -9.096 -4.680 0.859 1.00 95.03 C +ATOM 1475 CZ2 TRP A 186 -8.102 -4.276 3.483 1.00 94.62 C +ATOM 1476 CZ3 TRP A 186 -9.284 -5.651 1.870 1.00 94.72 C +ATOM 1477 CH2 TRP A 186 -8.794 -5.437 3.174 1.00 94.55 C +ATOM 1478 N TYR A 187 -10.852 -1.305 -3.497 1.00 95.98 N +ATOM 1479 CA TYR A 187 -10.959 -0.793 -4.853 1.00 95.91 C +ATOM 1480 C TYR A 187 -11.998 0.320 -4.991 1.00 96.10 C +ATOM 1481 O TYR A 187 -13.098 0.234 -4.458 1.00 95.74 O +ATOM 1482 CB TYR A 187 -11.211 -1.925 -5.842 1.00 95.52 C +ATOM 1483 CG TYR A 187 -10.014 -2.784 -6.213 1.00 94.70 C +ATOM 1484 CD1 TYR A 187 -8.715 -2.541 -5.699 1.00 93.54 C +ATOM 1485 CD2 TYR A 187 -10.185 -3.819 -7.138 1.00 92.77 C +ATOM 1486 CE1 TYR A 187 -7.620 -3.321 -6.093 1.00 92.39 C +ATOM 1487 CE2 TYR A 187 -9.101 -4.611 -7.549 1.00 92.16 C +ATOM 1488 CZ TYR A 187 -7.820 -4.363 -7.030 1.00 92.29 C +ATOM 1489 OH TYR A 187 -6.749 -5.126 -7.421 1.00 91.84 O +ATOM 1490 N ALA A 188 -11.633 1.319 -5.767 1.00 95.79 N +ATOM 1491 CA ALA A 188 -12.518 2.382 -6.200 1.00 95.74 C +ATOM 1492 C ALA A 188 -13.591 1.878 -7.195 1.00 95.79 C +ATOM 1493 O ALA A 188 -13.379 0.861 -7.853 1.00 95.64 O +ATOM 1494 CB ALA A 188 -11.642 3.472 -6.808 1.00 95.63 C +ATOM 1495 N PRO A 189 -14.679 2.611 -7.374 1.00 95.44 N +ATOM 1496 CA PRO A 189 -15.759 2.218 -8.289 1.00 95.24 C +ATOM 1497 C PRO A 189 -15.315 1.920 -9.719 1.00 95.29 C +ATOM 1498 O PRO A 189 -15.717 0.916 -10.293 1.00 94.99 O +ATOM 1499 CB PRO A 189 -16.751 3.384 -8.260 1.00 94.93 C +ATOM 1500 CG PRO A 189 -16.570 3.966 -6.858 1.00 94.14 C +ATOM 1501 CD PRO A 189 -15.067 3.790 -6.608 1.00 94.91 C +ATOM 1502 N GLU A 190 -14.410 2.716 -10.277 1.00 95.11 N +ATOM 1503 CA GLU A 190 -13.888 2.493 -11.632 1.00 95.06 C +ATOM 1504 C GLU A 190 -13.088 1.193 -11.773 1.00 94.95 C +ATOM 1505 O GLU A 190 -13.035 0.611 -12.838 1.00 94.39 O +ATOM 1506 CB GLU A 190 -13.066 3.709 -12.104 1.00 94.83 C +ATOM 1507 CG GLU A 190 -11.707 3.927 -11.423 1.00 94.05 C +ATOM 1508 CD GLU A 190 -11.742 4.660 -10.069 1.00 94.01 C +ATOM 1509 OE1 GLU A 190 -10.666 4.879 -9.490 1.00 87.63 O +ATOM 1510 OE2 GLU A 190 -12.820 5.020 -9.585 1.00 86.42 O +ATOM 1511 N CYS A 191 -12.476 0.728 -10.689 1.00 95.47 N +ATOM 1512 CA CYS A 191 -11.773 -0.548 -10.671 1.00 95.32 C +ATOM 1513 C CYS A 191 -12.766 -1.724 -10.672 1.00 95.26 C +ATOM 1514 O CYS A 191 -12.552 -2.712 -11.365 1.00 94.80 O +ATOM 1515 CB CYS A 191 -10.858 -0.631 -9.440 1.00 95.16 C +ATOM 1516 SG CYS A 191 -9.713 0.768 -9.326 1.00 94.63 S +ATOM 1517 N LEU A 192 -13.834 -1.593 -9.909 1.00 94.85 N +ATOM 1518 CA LEU A 192 -14.858 -2.626 -9.770 1.00 94.77 C +ATOM 1519 C LEU A 192 -15.733 -2.760 -11.032 1.00 94.72 C +ATOM 1520 O LEU A 192 -16.078 -3.867 -11.428 1.00 94.32 O +ATOM 1521 CB LEU A 192 -15.746 -2.283 -8.557 1.00 94.69 C +ATOM 1522 CG LEU A 192 -15.026 -2.269 -7.196 1.00 94.23 C +ATOM 1523 CD1 LEU A 192 -16.003 -1.816 -6.113 1.00 93.54 C +ATOM 1524 CD2 LEU A 192 -14.510 -3.651 -6.811 1.00 93.36 C +ATOM 1525 N LYS A 193 -16.083 -1.639 -11.618 1.00 94.44 N +ATOM 1526 CA LYS A 193 -17.056 -1.562 -12.708 1.00 94.13 C +ATOM 1527 C LYS A 193 -16.422 -1.603 -14.087 1.00 94.18 C +ATOM 1528 O LYS A 193 -16.977 -2.216 -14.998 1.00 93.26 O +ATOM 1529 CB LYS A 193 -17.877 -0.285 -12.496 1.00 93.24 C +ATOM 1530 CG LYS A 193 -19.114 -0.209 -13.379 1.00 88.85 C +ATOM 1531 CD LYS A 193 -19.916 1.046 -13.000 1.00 86.53 C +ATOM 1532 CE LYS A 193 -21.229 1.113 -13.750 1.00 79.63 C +ATOM 1533 NZ LYS A 193 -22.087 2.214 -13.217 1.00 74.03 N1+ +ATOM 1534 N GLU A 194 -15.305 -0.973 -14.270 1.00 94.08 N +ATOM 1535 CA GLU A 194 -14.674 -0.767 -15.572 1.00 93.85 C +ATOM 1536 C GLU A 194 -13.308 -1.430 -15.728 1.00 94.12 C +ATOM 1537 O GLU A 194 -12.701 -1.364 -16.800 1.00 92.86 O +ATOM 1538 CB GLU A 194 -14.528 0.742 -15.859 1.00 92.58 C +ATOM 1539 CG GLU A 194 -15.876 1.482 -15.855 1.00 85.69 C +ATOM 1540 CD GLU A 194 -15.700 2.963 -16.265 1.00 79.81 C +ATOM 1541 OE1 GLU A 194 -16.678 3.673 -16.247 1.00 68.25 O +ATOM 1542 OE2 GLU A 194 -14.555 3.348 -16.634 1.00 65.46 O +ATOM 1543 N TYR A 195 -12.803 -2.042 -14.685 1.00 93.80 N +ATOM 1544 CA TYR A 195 -11.471 -2.630 -14.625 1.00 93.64 C +ATOM 1545 C TYR A 195 -10.338 -1.636 -14.953 1.00 93.95 C +ATOM 1546 O TYR A 195 -9.270 -2.019 -15.419 1.00 92.85 O +ATOM 1547 CB TYR A 195 -11.408 -3.905 -15.459 1.00 92.47 C +ATOM 1548 CG TYR A 195 -12.458 -4.936 -15.083 1.00 89.94 C +ATOM 1549 CD1 TYR A 195 -12.176 -5.893 -14.095 1.00 86.44 C +ATOM 1550 CD2 TYR A 195 -13.717 -4.935 -15.721 1.00 84.13 C +ATOM 1551 CE1 TYR A 195 -13.149 -6.852 -13.748 1.00 79.73 C +ATOM 1552 CE2 TYR A 195 -14.685 -5.876 -15.366 1.00 80.86 C +ATOM 1553 CZ TYR A 195 -14.406 -6.842 -14.393 1.00 80.12 C +ATOM 1554 OH TYR A 195 -15.363 -7.775 -14.050 1.00 78.48 O +ATOM 1555 N LYS A 196 -10.594 -0.360 -14.709 1.00 94.25 N +ATOM 1556 CA LYS A 196 -9.631 0.724 -14.924 1.00 93.97 C +ATOM 1557 C LYS A 196 -8.951 1.095 -13.612 1.00 94.12 C +ATOM 1558 O LYS A 196 -9.613 1.293 -12.608 1.00 93.30 O +ATOM 1559 CB LYS A 196 -10.314 1.955 -15.525 1.00 93.25 C +ATOM 1560 CG LYS A 196 -10.800 1.735 -16.960 1.00 90.31 C +ATOM 1561 CD LYS A 196 -11.524 3.016 -17.415 1.00 87.66 C +ATOM 1562 CE LYS A 196 -12.206 2.880 -18.761 1.00 83.20 C +ATOM 1563 NZ LYS A 196 -13.218 3.961 -18.928 1.00 78.55 N1+ +ATOM 1564 N PHE A 197 -7.652 1.245 -13.672 1.00 94.78 N +ATOM 1565 CA PHE A 197 -6.817 1.643 -12.536 1.00 94.86 C +ATOM 1566 C PHE A 197 -6.064 2.921 -12.886 1.00 94.80 C +ATOM 1567 O PHE A 197 -5.148 2.899 -13.704 1.00 93.71 O +ATOM 1568 CB PHE A 197 -5.863 0.516 -12.178 1.00 94.14 C +ATOM 1569 CG PHE A 197 -6.554 -0.707 -11.602 1.00 92.40 C +ATOM 1570 CD1 PHE A 197 -6.621 -0.888 -10.217 1.00 88.99 C +ATOM 1571 CD2 PHE A 197 -7.157 -1.635 -12.455 1.00 90.13 C +ATOM 1572 CE1 PHE A 197 -7.302 -1.994 -9.684 1.00 89.41 C +ATOM 1573 CE2 PHE A 197 -7.854 -2.737 -11.932 1.00 88.92 C +ATOM 1574 CZ PHE A 197 -7.923 -2.912 -10.547 1.00 88.74 C +ATOM 1575 N TYR A 198 -6.472 3.987 -12.252 1.00 95.14 N +ATOM 1576 CA TYR A 198 -5.820 5.287 -12.308 1.00 94.99 C +ATOM 1577 C TYR A 198 -4.852 5.434 -11.131 1.00 95.08 C +ATOM 1578 O TYR A 198 -4.948 4.705 -10.145 1.00 94.53 O +ATOM 1579 CB TYR A 198 -6.880 6.383 -12.258 1.00 94.49 C +ATOM 1580 CG TYR A 198 -7.837 6.371 -13.434 1.00 93.86 C +ATOM 1581 CD1 TYR A 198 -7.625 7.235 -14.531 1.00 92.72 C +ATOM 1582 CD2 TYR A 198 -8.949 5.510 -13.450 1.00 91.66 C +ATOM 1583 CE1 TYR A 198 -8.520 7.229 -15.623 1.00 90.96 C +ATOM 1584 CE2 TYR A 198 -9.839 5.496 -14.543 1.00 91.80 C +ATOM 1585 CZ TYR A 198 -9.612 6.353 -15.621 1.00 91.64 C +ATOM 1586 OH TYR A 198 -10.492 6.351 -16.704 1.00 89.90 O +ATOM 1587 N TYR A 199 -3.999 6.450 -11.170 1.00 96.11 N +ATOM 1588 CA TYR A 199 -3.272 6.887 -9.970 1.00 96.03 C +ATOM 1589 C TYR A 199 -4.230 7.219 -8.820 1.00 96.10 C +ATOM 1590 O TYR A 199 -4.023 6.789 -7.686 1.00 95.72 O +ATOM 1591 CB TYR A 199 -2.407 8.091 -10.317 1.00 95.75 C +ATOM 1592 CG TYR A 199 -1.330 7.814 -11.343 1.00 95.38 C +ATOM 1593 CD1 TYR A 199 -0.258 6.971 -11.031 1.00 94.67 C +ATOM 1594 CD2 TYR A 199 -1.390 8.415 -12.618 1.00 94.40 C +ATOM 1595 CE1 TYR A 199 0.758 6.726 -11.974 1.00 93.82 C +ATOM 1596 CE2 TYR A 199 -0.385 8.181 -13.571 1.00 93.77 C +ATOM 1597 CZ TYR A 199 0.687 7.335 -13.241 1.00 93.80 C +ATOM 1598 OH TYR A 199 1.684 7.091 -14.162 1.00 92.62 O +ATOM 1599 N ALA A 200 -5.334 7.862 -9.144 1.00 95.60 N +ATOM 1600 CA ALA A 200 -6.397 8.139 -8.183 1.00 95.50 C +ATOM 1601 C ALA A 200 -7.070 6.891 -7.591 1.00 95.74 C +ATOM 1602 O ALA A 200 -7.715 6.983 -6.551 1.00 95.41 O +ATOM 1603 CB ALA A 200 -7.412 9.038 -8.897 1.00 95.02 C +ATOM 1604 N SER A 201 -6.935 5.721 -8.210 1.00 96.15 N +ATOM 1605 CA SER A 201 -7.430 4.463 -7.638 1.00 96.09 C +ATOM 1606 C SER A 201 -6.560 3.994 -6.477 1.00 96.20 C +ATOM 1607 O SER A 201 -7.089 3.474 -5.503 1.00 95.98 O +ATOM 1608 CB SER A 201 -7.524 3.371 -8.702 1.00 95.90 C +ATOM 1609 OG SER A 201 -8.195 3.837 -9.878 1.00 95.37 O +ATOM 1610 N ASP A 202 -5.272 4.253 -6.534 1.00 96.46 N +ATOM 1611 CA ASP A 202 -4.388 4.036 -5.375 1.00 96.42 C +ATOM 1612 C ASP A 202 -4.692 5.010 -4.237 1.00 96.46 C +ATOM 1613 O ASP A 202 -4.641 4.622 -3.076 1.00 96.17 O +ATOM 1614 CB ASP A 202 -2.923 4.178 -5.783 1.00 96.32 C +ATOM 1615 CG ASP A 202 -2.326 2.967 -6.493 1.00 96.10 C +ATOM 1616 OD1 ASP A 202 -2.879 1.844 -6.407 1.00 95.23 O +ATOM 1617 OD2 ASP A 202 -1.236 3.142 -7.082 1.00 94.73 O +ATOM 1618 N VAL A 203 -5.079 6.236 -4.562 1.00 96.32 N +ATOM 1619 CA VAL A 203 -5.523 7.211 -3.550 1.00 96.39 C +ATOM 1620 C VAL A 203 -6.781 6.732 -2.830 1.00 96.45 C +ATOM 1621 O VAL A 203 -6.876 6.876 -1.610 1.00 96.29 O +ATOM 1622 CB VAL A 203 -5.755 8.589 -4.172 1.00 96.34 C +ATOM 1623 CG1 VAL A 203 -4.453 9.156 -4.748 1.00 96.14 C +ATOM 1624 CG2 VAL A 203 -6.285 9.596 -3.149 1.00 96.19 C +ATOM 1625 N TRP A 204 -7.703 6.109 -3.536 1.00 96.29 N +ATOM 1626 CA TRP A 204 -8.848 5.462 -2.886 1.00 96.26 C +ATOM 1627 C TRP A 204 -8.384 4.374 -1.916 1.00 96.23 C +ATOM 1628 O TRP A 204 -8.795 4.365 -0.755 1.00 95.95 O +ATOM 1629 CB TRP A 204 -9.784 4.880 -3.936 1.00 96.28 C +ATOM 1630 CG TRP A 204 -10.968 4.165 -3.371 1.00 96.36 C +ATOM 1631 CD1 TRP A 204 -10.946 2.980 -2.697 1.00 95.98 C +ATOM 1632 CD2 TRP A 204 -12.359 4.583 -3.418 1.00 96.05 C +ATOM 1633 NE1 TRP A 204 -12.244 2.662 -2.302 1.00 95.75 N +ATOM 1634 CE2 TRP A 204 -13.133 3.618 -2.712 1.00 95.94 C +ATOM 1635 CE3 TRP A 204 -13.038 5.691 -3.982 1.00 95.99 C +ATOM 1636 CZ2 TRP A 204 -14.539 3.745 -2.552 1.00 95.64 C +ATOM 1637 CZ3 TRP A 204 -14.448 5.815 -3.827 1.00 95.69 C +ATOM 1638 CH2 TRP A 204 -15.176 4.847 -3.117 1.00 95.57 C +ATOM 1639 N SER A 205 -7.504 3.502 -2.366 1.00 96.09 N +ATOM 1640 CA SER A 205 -6.943 2.434 -1.526 1.00 95.99 C +ATOM 1641 C SER A 205 -6.199 2.992 -0.312 1.00 96.09 C +ATOM 1642 O SER A 205 -6.293 2.427 0.775 1.00 95.87 O +ATOM 1643 CB SER A 205 -5.994 1.554 -2.336 1.00 95.79 C +ATOM 1644 OG SER A 205 -6.650 1.044 -3.491 1.00 94.76 O +ATOM 1645 N PHE A 206 -5.520 4.118 -0.474 1.00 96.69 N +ATOM 1646 CA PHE A 206 -4.905 4.826 0.639 1.00 96.71 C +ATOM 1647 C PHE A 206 -5.941 5.294 1.661 1.00 96.73 C +ATOM 1648 O PHE A 206 -5.728 5.115 2.855 1.00 96.58 O +ATOM 1649 CB PHE A 206 -4.082 6.005 0.131 1.00 96.72 C +ATOM 1650 CG PHE A 206 -3.602 6.891 1.256 1.00 96.76 C +ATOM 1651 CD1 PHE A 206 -2.562 6.465 2.095 1.00 96.47 C +ATOM 1652 CD2 PHE A 206 -4.265 8.103 1.534 1.00 96.50 C +ATOM 1653 CE1 PHE A 206 -2.185 7.227 3.217 1.00 96.25 C +ATOM 1654 CE2 PHE A 206 -3.895 8.872 2.653 1.00 96.23 C +ATOM 1655 CZ PHE A 206 -2.858 8.437 3.495 1.00 96.20 C +ATOM 1656 N GLY A 207 -7.061 5.824 1.237 1.00 96.60 N +ATOM 1657 CA GLY A 207 -8.151 6.181 2.148 1.00 96.52 C +ATOM 1658 C GLY A 207 -8.630 4.977 2.966 1.00 96.67 C +ATOM 1659 O GLY A 207 -8.830 5.086 4.181 1.00 96.46 O +ATOM 1660 N VAL A 208 -8.744 3.811 2.339 1.00 96.50 N +ATOM 1661 CA VAL A 208 -9.064 2.557 3.031 1.00 96.48 C +ATOM 1662 C VAL A 208 -7.930 2.113 3.952 1.00 96.45 C +ATOM 1663 O VAL A 208 -8.181 1.676 5.072 1.00 96.28 O +ATOM 1664 CB VAL A 208 -9.429 1.441 2.033 1.00 96.48 C +ATOM 1665 CG1 VAL A 208 -10.581 1.867 1.103 1.00 96.32 C +ATOM 1666 CG2 VAL A 208 -9.893 0.178 2.762 1.00 96.42 C +ATOM 1667 N THR A 209 -6.698 2.288 3.543 1.00 96.45 N +ATOM 1668 CA THR A 209 -5.529 2.011 4.398 1.00 96.44 C +ATOM 1669 C THR A 209 -5.498 2.936 5.610 1.00 96.47 C +ATOM 1670 O THR A 209 -5.281 2.469 6.725 1.00 96.28 O +ATOM 1671 CB THR A 209 -4.225 2.135 3.601 1.00 96.39 C +ATOM 1672 OG1 THR A 209 -4.277 1.312 2.462 1.00 95.91 O +ATOM 1673 CG2 THR A 209 -3.001 1.716 4.409 1.00 95.75 C +ATOM 1674 N LEU A 210 -5.775 4.204 5.428 1.00 96.88 N +ATOM 1675 CA LEU A 210 -5.863 5.171 6.516 1.00 96.79 C +ATOM 1676 C LEU A 210 -6.967 4.786 7.508 1.00 96.82 C +ATOM 1677 O LEU A 210 -6.744 4.830 8.721 1.00 96.70 O +ATOM 1678 CB LEU A 210 -6.068 6.569 5.916 1.00 96.68 C +ATOM 1679 CG LEU A 210 -6.098 7.708 6.943 1.00 96.08 C +ATOM 1680 CD1 LEU A 210 -6.277 9.042 6.215 1.00 95.55 C +ATOM 1681 CD2 LEU A 210 -4.819 7.802 7.771 1.00 95.08 C +ATOM 1682 N TYR A 211 -8.113 4.313 7.009 1.00 96.24 N +ATOM 1683 CA TYR A 211 -9.151 3.736 7.860 1.00 96.24 C +ATOM 1684 C TYR A 211 -8.640 2.541 8.663 1.00 96.17 C +ATOM 1685 O TYR A 211 -8.864 2.477 9.874 1.00 95.94 O +ATOM 1686 CB TYR A 211 -10.371 3.368 6.993 1.00 96.24 C +ATOM 1687 CG TYR A 211 -11.397 2.529 7.708 1.00 96.27 C +ATOM 1688 CD1 TYR A 211 -12.453 3.135 8.400 1.00 95.93 C +ATOM 1689 CD2 TYR A 211 -11.271 1.123 7.724 1.00 95.90 C +ATOM 1690 CE1 TYR A 211 -13.374 2.349 9.121 1.00 95.56 C +ATOM 1691 CE2 TYR A 211 -12.177 0.335 8.437 1.00 95.51 C +ATOM 1692 CZ TYR A 211 -13.227 0.951 9.138 1.00 95.49 C +ATOM 1693 OH TYR A 211 -14.119 0.184 9.867 1.00 94.99 O +ATOM 1694 N GLU A 212 -7.907 1.631 8.032 1.00 96.24 N +ATOM 1695 CA GLU A 212 -7.294 0.502 8.742 1.00 96.22 C +ATOM 1696 C GLU A 212 -6.354 0.960 9.865 1.00 96.22 C +ATOM 1697 O GLU A 212 -6.423 0.433 10.972 1.00 95.96 O +ATOM 1698 CB GLU A 212 -6.500 -0.397 7.771 1.00 95.99 C +ATOM 1699 CG GLU A 212 -7.383 -1.162 6.783 1.00 95.15 C +ATOM 1700 CD GLU A 212 -6.522 -2.061 5.897 1.00 94.81 C +ATOM 1701 OE1 GLU A 212 -6.380 -3.247 6.217 1.00 87.60 O +ATOM 1702 OE2 GLU A 212 -5.957 -1.576 4.910 1.00 87.04 O +ATOM 1703 N LEU A 213 -5.526 1.966 9.620 1.00 96.50 N +ATOM 1704 CA LEU A 213 -4.632 2.523 10.641 1.00 96.33 C +ATOM 1705 C LEU A 213 -5.430 3.072 11.828 1.00 96.38 C +ATOM 1706 O LEU A 213 -5.134 2.747 12.973 1.00 96.10 O +ATOM 1707 CB LEU A 213 -3.730 3.619 10.052 1.00 96.09 C +ATOM 1708 CG LEU A 213 -2.812 3.202 8.890 1.00 95.13 C +ATOM 1709 CD1 LEU A 213 -1.862 4.344 8.544 1.00 94.39 C +ATOM 1710 CD2 LEU A 213 -1.997 1.970 9.189 1.00 93.66 C +ATOM 1711 N LEU A 214 -6.447 3.858 11.557 1.00 96.28 N +ATOM 1712 CA LEU A 214 -7.245 4.506 12.601 1.00 96.18 C +ATOM 1713 C LEU A 214 -8.161 3.542 13.359 1.00 96.20 C +ATOM 1714 O LEU A 214 -8.621 3.875 14.443 1.00 95.77 O +ATOM 1715 CB LEU A 214 -8.022 5.669 11.979 1.00 95.78 C +ATOM 1716 CG LEU A 214 -7.283 7.026 11.943 1.00 94.36 C +ATOM 1717 CD1 LEU A 214 -5.968 6.966 11.158 1.00 93.18 C +ATOM 1718 CD2 LEU A 214 -7.001 7.562 13.320 1.00 91.75 C +ATOM 1719 N THR A 215 -8.390 2.352 12.830 1.00 95.61 N +ATOM 1720 CA THR A 215 -9.027 1.236 13.538 1.00 95.48 C +ATOM 1721 C THR A 215 -8.021 0.302 14.198 1.00 95.45 C +ATOM 1722 O THR A 215 -8.413 -0.732 14.742 1.00 95.17 O +ATOM 1723 CB THR A 215 -9.964 0.446 12.618 1.00 95.33 C +ATOM 1724 OG1 THR A 215 -9.276 -0.050 11.507 1.00 95.03 O +ATOM 1725 CG2 THR A 215 -11.137 1.289 12.139 1.00 94.97 C +ATOM 1726 N HIS A 216 -6.748 0.630 14.158 1.00 95.91 N +ATOM 1727 CA HIS A 216 -5.647 -0.233 14.602 1.00 95.72 C +ATOM 1728 C HIS A 216 -5.674 -1.635 13.963 1.00 95.76 C +ATOM 1729 O HIS A 216 -5.268 -2.610 14.582 1.00 95.28 O +ATOM 1730 CB HIS A 216 -5.602 -0.289 16.127 1.00 95.21 C +ATOM 1731 CG HIS A 216 -5.252 1.028 16.769 1.00 93.93 C +ATOM 1732 ND1 HIS A 216 -3.978 1.384 17.165 1.00 89.73 N1+ +ATOM 1733 CD2 HIS A 216 -6.081 2.065 17.066 1.00 86.67 C +ATOM 1734 CE1 HIS A 216 -4.046 2.613 17.707 1.00 86.74 C +ATOM 1735 NE2 HIS A 216 -5.318 3.061 17.665 1.00 88.83 N +ATOM 1736 N CYS A 217 -6.143 -1.738 12.747 1.00 95.45 N +ATOM 1737 CA CYS A 217 -6.365 -3.011 12.043 1.00 95.27 C +ATOM 1738 C CYS A 217 -7.200 -4.030 12.840 1.00 95.12 C +ATOM 1739 O CYS A 217 -6.986 -5.239 12.701 1.00 94.54 O +ATOM 1740 CB CYS A 217 -5.041 -3.578 11.536 1.00 94.95 C +ATOM 1741 SG CYS A 217 -4.228 -2.473 10.377 1.00 94.30 S +ATOM 1742 N ASP A 218 -8.126 -3.559 13.647 1.00 95.00 N +ATOM 1743 CA ASP A 218 -9.081 -4.440 14.333 1.00 94.88 C +ATOM 1744 C ASP A 218 -9.892 -5.225 13.297 1.00 95.01 C +ATOM 1745 O ASP A 218 -10.604 -4.654 12.468 1.00 94.50 O +ATOM 1746 CB ASP A 218 -9.980 -3.605 15.243 1.00 94.33 C +ATOM 1747 CG ASP A 218 -11.047 -4.422 16.005 1.00 92.73 C +ATOM 1748 OD1 ASP A 218 -11.185 -5.642 15.742 1.00 89.23 O +ATOM 1749 OD2 ASP A 218 -11.772 -3.803 16.792 1.00 87.28 O +ATOM 1750 N SER A 219 -9.809 -6.542 13.366 1.00 93.97 N +ATOM 1751 CA SER A 219 -10.484 -7.447 12.423 1.00 93.94 C +ATOM 1752 C SER A 219 -12.005 -7.286 12.422 1.00 94.18 C +ATOM 1753 O SER A 219 -12.624 -7.440 11.366 1.00 93.08 O +ATOM 1754 CB SER A 219 -10.098 -8.885 12.730 1.00 92.83 C +ATOM 1755 OG SER A 219 -10.490 -9.254 14.048 1.00 88.98 O +ATOM 1756 N SER A 220 -12.594 -6.919 13.551 1.00 94.63 N +ATOM 1757 CA SER A 220 -14.038 -6.652 13.642 1.00 94.45 C +ATOM 1758 C SER A 220 -14.458 -5.377 12.913 1.00 94.61 C +ATOM 1759 O SER A 220 -15.626 -5.228 12.555 1.00 93.94 O +ATOM 1760 CB SER A 220 -14.460 -6.578 15.103 1.00 93.70 C +ATOM 1761 OG SER A 220 -14.026 -5.404 15.745 1.00 90.80 O +ATOM 1762 N GLN A 221 -13.517 -4.483 12.670 1.00 94.28 N +ATOM 1763 CA GLN A 221 -13.731 -3.219 11.982 1.00 94.41 C +ATOM 1764 C GLN A 221 -13.075 -3.171 10.604 1.00 94.75 C +ATOM 1765 O GLN A 221 -13.102 -2.134 9.947 1.00 93.97 O +ATOM 1766 CB GLN A 221 -13.230 -2.063 12.862 1.00 93.59 C +ATOM 1767 CG GLN A 221 -13.965 -1.990 14.206 1.00 90.31 C +ATOM 1768 CD GLN A 221 -13.558 -0.750 15.010 1.00 88.20 C +ATOM 1769 OE1 GLN A 221 -13.771 0.373 14.572 1.00 81.05 O +ATOM 1770 NE2 GLN A 221 -12.962 -0.929 16.160 1.00 77.89 N +ATOM 1771 N SER A 222 -12.492 -4.265 10.147 1.00 94.94 N +ATOM 1772 CA SER A 222 -11.803 -4.317 8.868 1.00 94.97 C +ATOM 1773 C SER A 222 -12.709 -3.935 7.694 1.00 95.12 C +ATOM 1774 O SER A 222 -13.927 -4.150 7.769 1.00 94.76 O +ATOM 1775 CB SER A 222 -11.194 -5.704 8.642 1.00 94.47 C +ATOM 1776 OG SER A 222 -12.214 -6.662 8.381 1.00 92.92 O +ATOM 1777 N PRO A 223 -12.173 -3.419 6.594 1.00 95.14 N +ATOM 1778 CA PRO A 223 -12.976 -3.084 5.413 1.00 95.23 C +ATOM 1779 C PRO A 223 -13.864 -4.235 4.921 1.00 95.33 C +ATOM 1780 O PRO A 223 -15.058 -4.018 4.737 1.00 95.15 O +ATOM 1781 CB PRO A 223 -11.977 -2.596 4.360 1.00 95.09 C +ATOM 1782 CG PRO A 223 -10.820 -2.069 5.201 1.00 94.66 C +ATOM 1783 CD PRO A 223 -10.805 -2.992 6.419 1.00 95.39 C +ATOM 1784 N PRO A 224 -13.376 -5.485 4.790 1.00 94.48 N +ATOM 1785 CA PRO A 224 -14.243 -6.606 4.419 1.00 94.32 C +ATOM 1786 C PRO A 224 -15.398 -6.813 5.409 1.00 94.38 C +ATOM 1787 O PRO A 224 -16.544 -6.972 4.983 1.00 94.03 O +ATOM 1788 CB PRO A 224 -13.340 -7.840 4.387 1.00 93.93 C +ATOM 1789 CG PRO A 224 -11.956 -7.271 4.113 1.00 93.25 C +ATOM 1790 CD PRO A 224 -11.991 -5.940 4.851 1.00 94.21 C +ATOM 1791 N THR A 225 -15.121 -6.767 6.709 1.00 94.91 N +ATOM 1792 CA THR A 225 -16.145 -6.962 7.734 1.00 94.65 C +ATOM 1793 C THR A 225 -17.222 -5.889 7.638 1.00 94.88 C +ATOM 1794 O THR A 225 -18.396 -6.218 7.544 1.00 94.45 O +ATOM 1795 CB THR A 225 -15.519 -6.977 9.139 1.00 94.07 C +ATOM 1796 OG1 THR A 225 -14.581 -8.024 9.223 1.00 90.98 O +ATOM 1797 CG2 THR A 225 -16.546 -7.203 10.250 1.00 89.78 C +ATOM 1798 N LYS A 226 -16.832 -4.627 7.581 1.00 94.31 N +ATOM 1799 CA LYS A 226 -17.772 -3.508 7.524 1.00 94.23 C +ATOM 1800 C LYS A 226 -18.575 -3.471 6.226 1.00 94.38 C +ATOM 1801 O LYS A 226 -19.785 -3.242 6.273 1.00 93.81 O +ATOM 1802 CB LYS A 226 -17.014 -2.181 7.742 1.00 93.63 C +ATOM 1803 CG LYS A 226 -16.552 -2.016 9.212 1.00 91.04 C +ATOM 1804 CD LYS A 226 -17.747 -1.918 10.159 1.00 88.66 C +ATOM 1805 CE LYS A 226 -17.337 -1.937 11.628 1.00 85.21 C +ATOM 1806 NZ LYS A 226 -18.461 -2.482 12.465 1.00 80.74 N1+ +ATOM 1807 N PHE A 227 -17.947 -3.725 5.103 1.00 94.18 N +ATOM 1808 CA PHE A 227 -18.688 -3.780 3.845 1.00 94.26 C +ATOM 1809 C PHE A 227 -19.630 -4.977 3.783 1.00 94.21 C +ATOM 1810 O PHE A 227 -20.769 -4.808 3.341 1.00 94.06 O +ATOM 1811 CB PHE A 227 -17.715 -3.764 2.670 1.00 94.35 C +ATOM 1812 CG PHE A 227 -17.123 -2.404 2.351 1.00 94.67 C +ATOM 1813 CD1 PHE A 227 -17.968 -1.304 2.106 1.00 94.23 C +ATOM 1814 CD2 PHE A 227 -15.741 -2.238 2.232 1.00 94.29 C +ATOM 1815 CE1 PHE A 227 -17.429 -0.055 1.746 1.00 93.85 C +ATOM 1816 CE2 PHE A 227 -15.193 -0.993 1.868 1.00 93.86 C +ATOM 1817 CZ PHE A 227 -16.037 0.098 1.625 1.00 93.89 C +ATOM 1818 N LEU A 228 -19.242 -6.136 4.275 1.00 93.55 N +ATOM 1819 CA LEU A 228 -20.147 -7.301 4.303 1.00 93.56 C +ATOM 1820 C LEU A 228 -21.313 -7.096 5.269 1.00 93.48 C +ATOM 1821 O LEU A 228 -22.430 -7.530 4.945 1.00 93.03 O +ATOM 1822 CB LEU A 228 -19.351 -8.564 4.657 1.00 93.38 C +ATOM 1823 CG LEU A 228 -18.425 -9.060 3.544 1.00 92.44 C +ATOM 1824 CD1 LEU A 228 -17.554 -10.216 4.062 1.00 91.39 C +ATOM 1825 CD2 LEU A 228 -19.217 -9.604 2.335 1.00 90.62 C +ATOM 1826 N GLU A 229 -21.135 -6.391 6.365 1.00 93.26 N +ATOM 1827 CA GLU A 229 -22.269 -5.976 7.213 1.00 92.99 C +ATOM 1828 C GLU A 229 -23.273 -5.091 6.457 1.00 93.04 C +ATOM 1829 O GLU A 229 -24.476 -5.240 6.650 1.00 92.10 O +ATOM 1830 CB GLU A 229 -21.736 -5.199 8.453 1.00 92.20 C +ATOM 1831 CG GLU A 229 -21.069 -6.087 9.514 1.00 88.54 C +ATOM 1832 CD GLU A 229 -20.319 -5.287 10.625 1.00 87.26 C +ATOM 1833 OE1 GLU A 229 -19.560 -5.901 11.385 1.00 79.84 O +ATOM 1834 OE2 GLU A 229 -20.452 -4.049 10.707 1.00 76.48 O +ATOM 1835 N LEU A 230 -22.801 -4.234 5.591 1.00 91.06 N +ATOM 1836 CA LEU A 230 -23.648 -3.312 4.825 1.00 90.88 C +ATOM 1837 C LEU A 230 -24.333 -3.972 3.611 1.00 91.02 C +ATOM 1838 O LEU A 230 -25.461 -3.595 3.268 1.00 89.92 O +ATOM 1839 CB LEU A 230 -22.779 -2.130 4.339 1.00 89.98 C +ATOM 1840 CG LEU A 230 -22.293 -1.184 5.467 1.00 87.26 C +ATOM 1841 CD1 LEU A 230 -21.288 -0.182 4.881 1.00 85.58 C +ATOM 1842 CD2 LEU A 230 -23.442 -0.405 6.092 1.00 85.10 C +ATOM 1843 N ILE A 231 -23.673 -4.909 2.945 1.00 90.72 N +ATOM 1844 CA ILE A 231 -24.231 -5.545 1.731 1.00 90.35 C +ATOM 1845 C ILE A 231 -24.904 -6.894 2.007 1.00 89.99 C +ATOM 1846 O ILE A 231 -25.563 -7.439 1.134 1.00 88.08 O +ATOM 1847 CB ILE A 231 -23.154 -5.664 0.629 1.00 89.63 C +ATOM 1848 CG1 ILE A 231 -22.074 -6.706 0.963 1.00 88.64 C +ATOM 1849 CG2 ILE A 231 -22.573 -4.283 0.300 1.00 88.12 C +ATOM 1850 CD1 ILE A 231 -20.949 -6.838 -0.111 1.00 83.80 C +ATOM 1851 N GLY A 232 -24.725 -7.443 3.200 1.00 84.63 N +ATOM 1852 CA GLY A 232 -25.101 -8.810 3.551 1.00 84.07 C +ATOM 1853 C GLY A 232 -24.138 -9.857 3.002 1.00 84.65 C +ATOM 1854 O GLY A 232 -23.270 -9.588 2.163 1.00 82.19 O +ATOM 1855 N ILE A 233 -24.324 -11.084 3.457 1.00 78.45 N +ATOM 1856 CA ILE A 233 -23.495 -12.204 3.013 1.00 77.77 C +ATOM 1857 C ILE A 233 -23.664 -12.421 1.515 1.00 78.49 C +ATOM 1858 O ILE A 233 -24.773 -12.687 1.027 1.00 74.92 O +ATOM 1859 CB ILE A 233 -23.802 -13.489 3.820 1.00 73.92 C +ATOM 1860 CG1 ILE A 233 -23.579 -13.240 5.312 1.00 71.34 C +ATOM 1861 CG2 ILE A 233 -22.913 -14.642 3.324 1.00 69.94 C +ATOM 1862 CD1 ILE A 233 -23.966 -14.441 6.199 1.00 65.67 C +ATOM 1863 N ALA A 234 -22.579 -12.304 0.788 1.00 73.12 N +ATOM 1864 CA ALA A 234 -22.509 -12.538 -0.628 1.00 71.46 C +ATOM 1865 C ALA A 234 -21.196 -13.206 -0.993 1.00 72.81 C +ATOM 1866 O ALA A 234 -20.221 -13.138 -0.245 1.00 68.88 O +ATOM 1867 CB ALA A 234 -22.704 -11.215 -1.362 1.00 65.95 C +ATOM 1868 N GLN A 235 -21.140 -13.842 -2.126 1.00 70.59 N +ATOM 1869 CA GLN A 235 -19.961 -14.559 -2.617 1.00 70.61 C +ATOM 1870 C GLN A 235 -19.664 -14.150 -4.056 1.00 71.18 C +ATOM 1871 O GLN A 235 -20.578 -13.849 -4.835 1.00 66.49 O +ATOM 1872 CB GLN A 235 -20.204 -16.083 -2.521 1.00 65.42 C +ATOM 1873 CG GLN A 235 -20.268 -16.583 -1.075 1.00 60.59 C +ATOM 1874 CD GLN A 235 -18.922 -16.591 -0.356 1.00 55.86 C +ATOM 1875 OE1 GLN A 235 -17.883 -16.679 -0.961 1.00 47.09 O +ATOM 1876 NE2 GLN A 235 -18.909 -16.495 0.935 1.00 48.09 N +ATOM 1877 N GLY A 236 -18.384 -14.181 -4.417 1.00 75.09 N +ATOM 1878 CA GLY A 236 -17.882 -13.952 -5.767 1.00 75.58 C +ATOM 1879 C GLY A 236 -18.395 -12.664 -6.411 1.00 78.07 C +ATOM 1880 O GLY A 236 -18.363 -11.607 -5.806 1.00 75.03 O +ATOM 1881 N GLN A 237 -18.938 -12.784 -7.618 1.00 83.60 N +ATOM 1882 CA GLN A 237 -19.432 -11.633 -8.393 1.00 84.20 C +ATOM 1883 C GLN A 237 -20.548 -10.870 -7.696 1.00 85.45 C +ATOM 1884 O GLN A 237 -20.648 -9.659 -7.840 1.00 83.00 O +ATOM 1885 CB GLN A 237 -19.892 -12.095 -9.776 1.00 80.41 C +ATOM 1886 CG GLN A 237 -18.719 -12.526 -10.659 1.00 73.19 C +ATOM 1887 CD GLN A 237 -19.191 -12.869 -12.079 1.00 69.02 C +ATOM 1888 OE1 GLN A 237 -20.359 -12.988 -12.360 1.00 59.86 O +ATOM 1889 NE2 GLN A 237 -18.278 -13.029 -12.999 1.00 58.03 N +ATOM 1890 N MET A 238 -21.379 -11.546 -6.915 1.00 88.65 N +ATOM 1891 CA MET A 238 -22.464 -10.889 -6.180 1.00 89.53 C +ATOM 1892 C MET A 238 -21.936 -9.911 -5.131 1.00 90.36 C +ATOM 1893 O MET A 238 -22.540 -8.878 -4.920 1.00 88.85 O +ATOM 1894 CB MET A 238 -23.357 -11.957 -5.555 1.00 87.90 C +ATOM 1895 CG MET A 238 -24.716 -11.371 -5.134 1.00 81.82 C +ATOM 1896 SD MET A 238 -25.673 -10.795 -6.551 1.00 78.49 S +ATOM 1897 CE MET A 238 -27.191 -10.309 -5.693 1.00 69.75 C +ATOM 1898 N THR A 239 -20.800 -10.189 -4.511 1.00 91.45 N +ATOM 1899 CA THR A 239 -20.125 -9.265 -3.591 1.00 91.88 C +ATOM 1900 C THR A 239 -19.687 -8.015 -4.326 1.00 92.30 C +ATOM 1901 O THR A 239 -19.969 -6.912 -3.859 1.00 91.72 O +ATOM 1902 CB THR A 239 -18.924 -9.937 -2.930 1.00 91.36 C +ATOM 1903 OG1 THR A 239 -19.333 -11.087 -2.238 1.00 90.18 O +ATOM 1904 CG2 THR A 239 -18.222 -9.036 -1.924 1.00 89.91 C +ATOM 1905 N VAL A 240 -19.060 -8.166 -5.479 1.00 93.32 N +ATOM 1906 CA VAL A 240 -18.607 -7.028 -6.288 1.00 93.34 C +ATOM 1907 C VAL A 240 -19.760 -6.176 -6.763 1.00 93.56 C +ATOM 1908 O VAL A 240 -19.703 -4.949 -6.661 1.00 93.16 O +ATOM 1909 CB VAL A 240 -17.773 -7.521 -7.480 1.00 92.79 C +ATOM 1910 CG1 VAL A 240 -16.530 -8.274 -6.998 1.00 91.14 C +ATOM 1911 CG2 VAL A 240 -17.288 -6.357 -8.354 1.00 90.69 C +ATOM 1912 N LEU A 241 -20.850 -6.796 -7.210 1.00 93.21 N +ATOM 1913 CA LEU A 241 -22.064 -6.093 -7.652 1.00 93.22 C +ATOM 1914 C LEU A 241 -22.647 -5.256 -6.516 1.00 93.61 C +ATOM 1915 O LEU A 241 -22.790 -4.042 -6.670 1.00 92.90 O +ATOM 1916 CB LEU A 241 -23.068 -7.122 -8.182 1.00 92.20 C +ATOM 1917 CG LEU A 241 -24.344 -6.491 -8.781 1.00 86.20 C +ATOM 1918 CD1 LEU A 241 -25.414 -7.554 -9.000 1.00 82.74 C +ATOM 1919 CD2 LEU A 241 -24.032 -5.832 -10.121 1.00 79.67 C +ATOM 1920 N ARG A 242 -22.903 -5.855 -5.379 1.00 92.76 N +ATOM 1921 CA ARG A 242 -23.464 -5.160 -4.206 1.00 92.72 C +ATOM 1922 C ARG A 242 -22.541 -4.089 -3.646 1.00 93.30 C +ATOM 1923 O ARG A 242 -23.019 -3.036 -3.247 1.00 93.01 O +ATOM 1924 CB ARG A 242 -23.798 -6.169 -3.116 1.00 92.05 C +ATOM 1925 CG ARG A 242 -24.989 -7.045 -3.479 1.00 88.12 C +ATOM 1926 CD ARG A 242 -25.236 -7.988 -2.299 1.00 85.97 C +ATOM 1927 NE ARG A 242 -26.337 -8.922 -2.543 1.00 80.63 N +ATOM 1928 CZ ARG A 242 -26.893 -9.716 -1.651 1.00 76.16 C +ATOM 1929 NH1 ARG A 242 -26.442 -9.731 -0.416 1.00 72.37 N +ATOM 1930 NH2 ARG A 242 -27.882 -10.499 -1.969 1.00 72.38 N1+ +ATOM 1931 N LEU A 243 -21.261 -4.332 -3.638 1.00 94.58 N +ATOM 1932 CA LEU A 243 -20.274 -3.335 -3.223 1.00 94.53 C +ATOM 1933 C LEU A 243 -20.298 -2.138 -4.175 1.00 94.50 C +ATOM 1934 O LEU A 243 -20.329 -0.999 -3.713 1.00 94.42 O +ATOM 1935 CB LEU A 243 -18.896 -4.001 -3.172 1.00 94.59 C +ATOM 1936 CG LEU A 243 -17.744 -3.049 -2.774 1.00 94.27 C +ATOM 1937 CD1 LEU A 243 -16.427 -3.832 -2.752 1.00 93.75 C +ATOM 1938 CD2 LEU A 243 -17.959 -2.442 -1.385 1.00 93.54 C +ATOM 1939 N THR A 244 -20.339 -2.372 -5.471 1.00 94.38 N +ATOM 1940 CA THR A 244 -20.440 -1.297 -6.470 1.00 94.34 C +ATOM 1941 C THR A 244 -21.708 -0.474 -6.268 1.00 94.29 C +ATOM 1942 O THR A 244 -21.613 0.745 -6.155 1.00 93.80 O +ATOM 1943 CB THR A 244 -20.397 -1.874 -7.895 1.00 94.04 C +ATOM 1944 OG1 THR A 244 -19.241 -2.636 -8.088 1.00 92.96 O +ATOM 1945 CG2 THR A 244 -20.401 -0.781 -8.961 1.00 92.37 C +ATOM 1946 N GLU A 245 -22.839 -1.105 -6.113 1.00 94.45 N +ATOM 1947 CA GLU A 245 -24.116 -0.421 -5.849 1.00 94.08 C +ATOM 1948 C GLU A 245 -24.098 0.390 -4.549 1.00 94.06 C +ATOM 1949 O GLU A 245 -24.642 1.484 -4.480 1.00 93.24 O +ATOM 1950 CB GLU A 245 -25.237 -1.468 -5.748 1.00 93.29 C +ATOM 1951 CG GLU A 245 -25.622 -2.114 -7.076 1.00 88.26 C +ATOM 1952 CD GLU A 245 -26.595 -3.289 -6.923 1.00 85.80 C +ATOM 1953 OE1 GLU A 245 -26.898 -3.937 -7.955 1.00 77.15 O +ATOM 1954 OE2 GLU A 245 -27.027 -3.558 -5.771 1.00 75.44 O +ATOM 1955 N LEU A 246 -23.456 -0.127 -3.513 1.00 94.71 N +ATOM 1956 CA LEU A 246 -23.320 0.559 -2.232 1.00 94.61 C +ATOM 1957 C LEU A 246 -22.465 1.832 -2.389 1.00 94.69 C +ATOM 1958 O LEU A 246 -22.873 2.891 -1.913 1.00 94.09 O +ATOM 1959 CB LEU A 246 -22.721 -0.439 -1.232 1.00 93.96 C +ATOM 1960 CG LEU A 246 -22.537 0.136 0.191 1.00 91.42 C +ATOM 1961 CD1 LEU A 246 -21.107 0.640 0.422 1.00 89.23 C +ATOM 1962 CD2 LEU A 246 -22.821 -0.954 1.226 1.00 87.60 C +ATOM 1963 N LEU A 247 -21.350 1.734 -3.086 1.00 94.81 N +ATOM 1964 CA LEU A 247 -20.478 2.870 -3.330 1.00 94.79 C +ATOM 1965 C LEU A 247 -21.122 3.912 -4.235 1.00 94.55 C +ATOM 1966 O LEU A 247 -20.983 5.110 -3.967 1.00 94.20 O +ATOM 1967 CB LEU A 247 -19.147 2.379 -3.917 1.00 94.99 C +ATOM 1968 CG LEU A 247 -18.294 1.521 -2.965 1.00 95.12 C +ATOM 1969 CD1 LEU A 247 -17.017 1.065 -3.692 1.00 94.71 C +ATOM 1970 CD2 LEU A 247 -17.877 2.259 -1.692 1.00 94.65 C +ATOM 1971 N GLU A 248 -21.881 3.496 -5.245 1.00 94.51 N +ATOM 1972 CA GLU A 248 -22.646 4.398 -6.119 1.00 94.21 C +ATOM 1973 C GLU A 248 -23.768 5.147 -5.385 1.00 93.98 C +ATOM 1974 O GLU A 248 -24.063 6.294 -5.727 1.00 92.67 O +ATOM 1975 CB GLU A 248 -23.232 3.614 -7.303 1.00 93.32 C +ATOM 1976 CG GLU A 248 -22.158 3.258 -8.346 1.00 88.62 C +ATOM 1977 CD GLU A 248 -22.674 2.564 -9.607 1.00 85.81 C +ATOM 1978 OE1 GLU A 248 -21.913 2.514 -10.593 1.00 74.19 O +ATOM 1979 OE2 GLU A 248 -23.810 2.069 -9.613 1.00 72.26 O +ATOM 1980 N ARG A 249 -24.350 4.590 -4.352 1.00 94.92 N +ATOM 1981 CA ARG A 249 -25.265 5.291 -3.456 1.00 94.45 C +ATOM 1982 C ARG A 249 -24.568 6.288 -2.530 1.00 94.35 C +ATOM 1983 O ARG A 249 -25.254 6.949 -1.750 1.00 93.42 O +ATOM 1984 CB ARG A 249 -26.087 4.289 -2.641 1.00 93.66 C +ATOM 1985 CG ARG A 249 -27.088 3.521 -3.514 1.00 89.98 C +ATOM 1986 CD ARG A 249 -28.069 2.699 -2.632 1.00 87.38 C +ATOM 1987 NE ARG A 249 -27.383 1.791 -1.691 1.00 83.23 N +ATOM 1988 CZ ARG A 249 -27.079 0.519 -1.868 1.00 80.30 C +ATOM 1989 NH1 ARG A 249 -27.277 -0.103 -3.002 1.00 76.36 N +ATOM 1990 NH2 ARG A 249 -26.541 -0.160 -0.913 1.00 76.82 N1+ +ATOM 1991 N GLY A 250 -23.272 6.382 -2.565 1.00 94.52 N +ATOM 1992 CA GLY A 250 -22.496 7.279 -1.701 1.00 94.42 C +ATOM 1993 C GLY A 250 -22.165 6.723 -0.322 1.00 94.70 C +ATOM 1994 O GLY A 250 -21.609 7.461 0.495 1.00 94.14 O +ATOM 1995 N GLU A 251 -22.495 5.482 -0.031 1.00 94.86 N +ATOM 1996 CA GLU A 251 -22.124 4.857 1.233 1.00 94.77 C +ATOM 1997 C GLU A 251 -20.620 4.615 1.325 1.00 95.06 C +ATOM 1998 O GLU A 251 -19.959 4.324 0.330 1.00 94.57 O +ATOM 1999 CB GLU A 251 -22.921 3.564 1.465 1.00 94.09 C +ATOM 2000 CG GLU A 251 -24.441 3.821 1.683 1.00 90.97 C +ATOM 2001 CD GLU A 251 -25.165 2.531 2.001 1.00 88.80 C +ATOM 2002 OE1 GLU A 251 -26.126 2.176 1.250 1.00 78.84 O +ATOM 2003 OE2 GLU A 251 -24.796 1.848 2.975 1.00 76.22 O +ATOM 2004 N ARG A 252 -20.069 4.766 2.495 1.00 94.18 N +ATOM 2005 CA ARG A 252 -18.618 4.629 2.763 1.00 94.30 C +ATOM 2006 C ARG A 252 -18.393 3.917 4.100 1.00 94.24 C +ATOM 2007 O ARG A 252 -19.306 3.765 4.900 1.00 93.82 O +ATOM 2008 CB ARG A 252 -17.969 6.030 2.804 1.00 94.30 C +ATOM 2009 CG ARG A 252 -18.035 6.805 1.471 1.00 94.36 C +ATOM 2010 CD ARG A 252 -17.282 6.103 0.348 1.00 94.23 C +ATOM 2011 NE ARG A 252 -17.293 6.878 -0.889 1.00 93.96 N +ATOM 2012 CZ ARG A 252 -18.154 6.782 -1.897 1.00 93.81 C +ATOM 2013 NH1 ARG A 252 -19.168 5.954 -1.871 1.00 93.36 N +ATOM 2014 NH2 ARG A 252 -18.006 7.523 -2.933 1.00 93.38 N1+ +ATOM 2015 N LEU A 253 -17.149 3.518 4.327 1.00 95.12 N +ATOM 2016 CA LEU A 253 -16.716 3.042 5.637 1.00 95.16 C +ATOM 2017 C LEU A 253 -17.020 4.110 6.714 1.00 95.14 C +ATOM 2018 O LEU A 253 -16.863 5.300 6.457 1.00 94.85 O +ATOM 2019 CB LEU A 253 -15.222 2.724 5.619 1.00 95.13 C +ATOM 2020 CG LEU A 253 -14.850 1.477 4.797 1.00 94.90 C +ATOM 2021 CD1 LEU A 253 -13.335 1.384 4.653 1.00 94.47 C +ATOM 2022 CD2 LEU A 253 -15.334 0.191 5.485 1.00 94.33 C +ATOM 2023 N PRO A 254 -17.459 3.708 7.906 1.00 95.74 N +ATOM 2024 CA PRO A 254 -17.797 4.633 8.981 1.00 95.57 C +ATOM 2025 C PRO A 254 -16.558 5.314 9.547 1.00 95.70 C +ATOM 2026 O PRO A 254 -15.436 4.825 9.388 1.00 95.31 O +ATOM 2027 CB PRO A 254 -18.496 3.785 10.039 1.00 95.12 C +ATOM 2028 CG PRO A 254 -17.834 2.416 9.882 1.00 94.17 C +ATOM 2029 CD PRO A 254 -17.589 2.328 8.366 1.00 94.79 C +ATOM 2030 N ARG A 255 -16.743 6.412 10.243 1.00 95.29 N +ATOM 2031 CA ARG A 255 -15.644 7.054 10.984 1.00 95.16 C +ATOM 2032 C ARG A 255 -15.167 6.122 12.108 1.00 95.04 C +ATOM 2033 O ARG A 255 -15.986 5.742 12.925 1.00 94.64 O +ATOM 2034 CB ARG A 255 -16.142 8.403 11.510 1.00 94.81 C +ATOM 2035 CG ARG A 255 -15.066 9.126 12.323 1.00 93.57 C +ATOM 2036 CD ARG A 255 -15.583 10.483 12.781 1.00 92.21 C +ATOM 2037 NE ARG A 255 -14.704 11.102 13.764 1.00 90.07 N +ATOM 2038 CZ ARG A 255 -14.905 12.183 14.465 1.00 88.65 C +ATOM 2039 NH1 ARG A 255 -16.016 12.869 14.326 1.00 86.76 N +ATOM 2040 NH2 ARG A 255 -14.054 12.591 15.330 1.00 87.45 N1+ +ATOM 2041 N PRO A 256 -13.862 5.777 12.161 1.00 94.76 N +ATOM 2042 CA PRO A 256 -13.309 5.011 13.265 1.00 94.73 C +ATOM 2043 C PRO A 256 -13.458 5.732 14.606 1.00 94.77 C +ATOM 2044 O PRO A 256 -13.419 6.969 14.670 1.00 94.34 O +ATOM 2045 CB PRO A 256 -11.832 4.794 12.931 1.00 94.56 C +ATOM 2046 CG PRO A 256 -11.807 4.918 11.415 1.00 94.06 C +ATOM 2047 CD PRO A 256 -12.856 5.982 11.143 1.00 94.88 C +ATOM 2048 N ASP A 257 -13.557 4.980 15.686 1.00 93.20 N +ATOM 2049 CA ASP A 257 -13.500 5.547 17.036 1.00 92.83 C +ATOM 2050 C ASP A 257 -12.199 6.318 17.236 1.00 93.05 C +ATOM 2051 O ASP A 257 -11.131 5.901 16.805 1.00 92.00 O +ATOM 2052 CB ASP A 257 -13.619 4.446 18.092 1.00 91.36 C +ATOM 2053 CG ASP A 257 -15.042 3.947 18.317 1.00 84.66 C +ATOM 2054 OD1 ASP A 257 -15.980 4.619 17.855 1.00 77.72 O +ATOM 2055 OD2 ASP A 257 -15.175 2.936 19.058 1.00 76.69 O +ATOM 2056 N LYS A 258 -12.292 7.436 17.894 1.00 91.73 N +ATOM 2057 CA LYS A 258 -11.166 8.361 18.144 1.00 91.49 C +ATOM 2058 C LYS A 258 -10.510 8.954 16.900 1.00 92.02 C +ATOM 2059 O LYS A 258 -9.571 9.733 17.047 1.00 90.62 O +ATOM 2060 CB LYS A 258 -10.115 7.710 19.064 1.00 89.78 C +ATOM 2061 CG LYS A 258 -10.709 7.070 20.324 1.00 83.51 C +ATOM 2062 CD LYS A 258 -9.628 6.293 21.079 1.00 78.08 C +ATOM 2063 CE LYS A 258 -10.245 5.587 22.288 1.00 71.20 C +ATOM 2064 NZ LYS A 258 -9.255 4.705 22.958 1.00 64.06 N1+ +ATOM 2065 N CYS A 259 -10.970 8.632 15.706 1.00 94.63 N +ATOM 2066 CA CYS A 259 -10.524 9.328 14.512 1.00 94.75 C +ATOM 2067 C CYS A 259 -10.996 10.779 14.516 1.00 94.86 C +ATOM 2068 O CYS A 259 -12.199 10.999 14.570 1.00 94.46 O +ATOM 2069 CB CYS A 259 -11.023 8.587 13.268 1.00 94.46 C +ATOM 2070 SG CYS A 259 -10.504 9.402 11.747 1.00 93.71 S +ATOM 2071 N PRO A 260 -10.097 11.776 14.444 1.00 95.04 N +ATOM 2072 CA PRO A 260 -10.504 13.180 14.350 1.00 94.91 C +ATOM 2073 C PRO A 260 -11.397 13.420 13.129 1.00 95.08 C +ATOM 2074 O PRO A 260 -11.221 12.797 12.084 1.00 94.68 O +ATOM 2075 CB PRO A 260 -9.217 13.984 14.276 1.00 94.36 C +ATOM 2076 CG PRO A 260 -8.199 13.062 14.949 1.00 93.12 C +ATOM 2077 CD PRO A 260 -8.652 11.675 14.530 1.00 93.84 C +ATOM 2078 N ALA A 261 -12.309 14.365 13.233 1.00 95.51 N +ATOM 2079 CA ALA A 261 -13.221 14.681 12.142 1.00 95.42 C +ATOM 2080 C ALA A 261 -12.489 15.118 10.877 1.00 95.58 C +ATOM 2081 O ALA A 261 -12.883 14.723 9.783 1.00 95.24 O +ATOM 2082 CB ALA A 261 -14.201 15.736 12.622 1.00 94.92 C +ATOM 2083 N GLU A 262 -11.424 15.891 11.011 1.00 95.21 N +ATOM 2084 CA GLU A 262 -10.594 16.343 9.884 1.00 95.01 C +ATOM 2085 C GLU A 262 -9.900 15.176 9.178 1.00 95.38 C +ATOM 2086 O GLU A 262 -9.844 15.145 7.959 1.00 94.75 O +ATOM 2087 CB GLU A 262 -9.613 17.415 10.390 1.00 94.11 C +ATOM 2088 CG GLU A 262 -8.540 16.902 11.358 1.00 87.25 C +ATOM 2089 CD GLU A 262 -7.770 18.031 12.080 1.00 84.06 C +ATOM 2090 OE1 GLU A 262 -7.293 17.779 13.208 1.00 71.91 O +ATOM 2091 OE2 GLU A 262 -7.683 19.162 11.567 1.00 68.78 O +ATOM 2092 N VAL A 263 -9.445 14.173 9.920 1.00 95.86 N +ATOM 2093 CA VAL A 263 -8.826 12.979 9.342 1.00 95.93 C +ATOM 2094 C VAL A 263 -9.860 12.115 8.627 1.00 96.03 C +ATOM 2095 O VAL A 263 -9.603 11.620 7.547 1.00 95.90 O +ATOM 2096 CB VAL A 263 -8.077 12.156 10.417 1.00 95.78 C +ATOM 2097 CG1 VAL A 263 -7.006 13.000 11.113 1.00 95.31 C +ATOM 2098 CG2 VAL A 263 -7.396 10.932 9.821 1.00 95.28 C +ATOM 2099 N TYR A 264 -11.057 11.995 9.188 1.00 96.16 N +ATOM 2100 CA TYR A 264 -12.145 11.314 8.484 1.00 96.12 C +ATOM 2101 C TYR A 264 -12.595 12.060 7.221 1.00 96.06 C +ATOM 2102 O TYR A 264 -12.887 11.430 6.204 1.00 95.77 O +ATOM 2103 CB TYR A 264 -13.314 11.096 9.426 1.00 96.07 C +ATOM 2104 CG TYR A 264 -14.416 10.250 8.808 1.00 95.99 C +ATOM 2105 CD1 TYR A 264 -14.136 8.942 8.393 1.00 95.63 C +ATOM 2106 CD2 TYR A 264 -15.698 10.765 8.631 1.00 95.45 C +ATOM 2107 CE1 TYR A 264 -15.135 8.151 7.804 1.00 95.02 C +ATOM 2108 CE2 TYR A 264 -16.723 9.987 8.059 1.00 95.07 C +ATOM 2109 CZ TYR A 264 -16.424 8.677 7.643 1.00 95.12 C +ATOM 2110 OH TYR A 264 -17.417 7.900 7.082 1.00 94.62 O +ATOM 2111 N HIS A 265 -12.571 13.379 7.240 1.00 95.62 N +ATOM 2112 CA HIS A 265 -12.807 14.164 6.032 1.00 95.35 C +ATOM 2113 C HIS A 265 -11.751 13.862 4.953 1.00 95.60 C +ATOM 2114 O HIS A 265 -12.112 13.694 3.795 1.00 95.13 O +ATOM 2115 CB HIS A 265 -12.818 15.668 6.366 1.00 94.73 C +ATOM 2116 CG HIS A 265 -14.138 16.301 6.048 1.00 91.96 C +ATOM 2117 ND1 HIS A 265 -15.229 16.422 6.912 1.00 85.56 N1+ +ATOM 2118 CD2 HIS A 265 -14.498 16.876 4.840 1.00 82.66 C +ATOM 2119 CE1 HIS A 265 -16.207 17.069 6.252 1.00 79.86 C +ATOM 2120 NE2 HIS A 265 -15.803 17.345 4.998 1.00 80.65 N +ATOM 2121 N LEU A 266 -10.519 13.730 5.349 1.00 95.91 N +ATOM 2122 CA LEU A 266 -9.441 13.371 4.451 1.00 95.84 C +ATOM 2123 C LEU A 266 -9.647 11.973 3.836 1.00 96.11 C +ATOM 2124 O LEU A 266 -9.486 11.814 2.631 1.00 95.81 O +ATOM 2125 CB LEU A 266 -8.118 13.466 5.224 1.00 95.28 C +ATOM 2126 CG LEU A 266 -6.877 13.360 4.330 1.00 92.40 C +ATOM 2127 CD1 LEU A 266 -5.635 13.195 5.204 1.00 89.81 C +ATOM 2128 CD2 LEU A 266 -6.713 14.608 3.481 1.00 86.37 C +ATOM 2129 N MET A 267 -10.082 10.999 4.619 1.00 96.08 N +ATOM 2130 CA MET A 267 -10.477 9.685 4.079 1.00 95.94 C +ATOM 2131 C MET A 267 -11.582 9.811 3.038 1.00 95.95 C +ATOM 2132 O MET A 267 -11.494 9.234 1.965 1.00 95.56 O +ATOM 2133 CB MET A 267 -10.976 8.736 5.189 1.00 95.61 C +ATOM 2134 CG MET A 267 -9.940 8.384 6.243 1.00 93.81 C +ATOM 2135 SD MET A 267 -10.645 7.303 7.512 1.00 92.40 S +ATOM 2136 CE MET A 267 -9.388 7.471 8.771 1.00 88.46 C +ATOM 2137 N LYS A 268 -12.609 10.602 3.340 1.00 96.05 N +ATOM 2138 CA LYS A 268 -13.725 10.806 2.411 1.00 95.87 C +ATOM 2139 C LYS A 268 -13.298 11.487 1.118 1.00 95.99 C +ATOM 2140 O LYS A 268 -13.801 11.093 0.067 1.00 95.49 O +ATOM 2141 CB LYS A 268 -14.838 11.611 3.089 1.00 95.40 C +ATOM 2142 CG LYS A 268 -15.573 10.776 4.144 1.00 93.44 C +ATOM 2143 CD LYS A 268 -16.796 11.526 4.717 1.00 91.15 C +ATOM 2144 CE LYS A 268 -17.913 11.599 3.671 1.00 87.16 C +ATOM 2145 NZ LYS A 268 -19.141 12.228 4.219 1.00 82.22 N1+ +ATOM 2146 N ASN A 269 -12.354 12.398 1.174 1.00 96.15 N +ATOM 2147 CA ASN A 269 -11.804 13.015 -0.022 1.00 96.00 C +ATOM 2148 C ASN A 269 -11.058 12.005 -0.897 1.00 96.19 C +ATOM 2149 O ASN A 269 -11.135 12.041 -2.120 1.00 95.89 O +ATOM 2150 CB ASN A 269 -10.866 14.185 0.376 1.00 95.61 C +ATOM 2151 CG ASN A 269 -11.573 15.357 1.043 1.00 93.98 C +ATOM 2152 OD1 ASN A 269 -12.787 15.476 1.053 1.00 90.04 O +ATOM 2153 ND2 ASN A 269 -10.816 16.245 1.626 1.00 85.14 N +ATOM 2154 N CYS A 270 -10.395 11.030 -0.268 1.00 96.27 N +ATOM 2155 CA CYS A 270 -9.802 9.900 -0.994 1.00 96.29 C +ATOM 2156 C CYS A 270 -10.851 8.955 -1.604 1.00 96.25 C +ATOM 2157 O CYS A 270 -10.534 8.182 -2.504 1.00 95.99 O +ATOM 2158 CB CYS A 270 -8.869 9.124 -0.057 1.00 96.34 C +ATOM 2159 SG CYS A 270 -7.498 10.133 0.556 1.00 96.40 S +ATOM 2160 N TRP A 271 -12.088 9.017 -1.136 1.00 95.98 N +ATOM 2161 CA TRP A 271 -13.209 8.186 -1.584 1.00 95.95 C +ATOM 2162 C TRP A 271 -14.249 8.965 -2.411 1.00 95.77 C +ATOM 2163 O TRP A 271 -15.413 8.565 -2.477 1.00 95.38 O +ATOM 2164 CB TRP A 271 -13.858 7.512 -0.386 1.00 96.01 C +ATOM 2165 CG TRP A 271 -12.973 6.666 0.462 1.00 96.27 C +ATOM 2166 CD1 TRP A 271 -11.895 5.962 0.057 1.00 96.02 C +ATOM 2167 CD2 TRP A 271 -13.128 6.430 1.903 1.00 96.16 C +ATOM 2168 NE1 TRP A 271 -11.353 5.296 1.157 1.00 95.79 N +ATOM 2169 CE2 TRP A 271 -12.086 5.555 2.292 1.00 95.96 C +ATOM 2170 CE3 TRP A 271 -14.030 6.855 2.874 1.00 95.99 C +ATOM 2171 CZ2 TRP A 271 -11.953 5.102 3.641 1.00 95.76 C +ATOM 2172 CZ3 TRP A 271 -13.897 6.407 4.212 1.00 95.71 C +ATOM 2173 CH2 TRP A 271 -12.870 5.533 4.584 1.00 95.56 C +ATOM 2174 N GLU A 272 -13.847 10.040 -3.011 1.00 96.41 N +ATOM 2175 CA GLU A 272 -14.664 10.700 -4.017 1.00 96.22 C +ATOM 2176 C GLU A 272 -14.999 9.730 -5.158 1.00 96.23 C +ATOM 2177 O GLU A 272 -14.142 8.991 -5.643 1.00 95.70 O +ATOM 2178 CB GLU A 272 -13.980 11.951 -4.565 1.00 95.72 C +ATOM 2179 CG GLU A 272 -13.981 13.141 -3.588 1.00 93.69 C +ATOM 2180 CD GLU A 272 -15.371 13.696 -3.314 1.00 91.76 C +ATOM 2181 OE1 GLU A 272 -15.541 14.397 -2.290 1.00 80.10 O +ATOM 2182 OE2 GLU A 272 -16.287 13.443 -4.136 1.00 78.41 O +ATOM 2183 N THR A 273 -16.240 9.731 -5.586 1.00 95.21 N +ATOM 2184 CA THR A 273 -16.708 8.841 -6.657 1.00 95.10 C +ATOM 2185 C THR A 273 -15.997 9.139 -7.967 1.00 95.09 C +ATOM 2186 O THR A 273 -15.476 8.215 -8.605 1.00 94.54 O +ATOM 2187 CB THR A 273 -18.224 8.942 -6.834 1.00 94.55 C +ATOM 2188 OG1 THR A 273 -18.870 8.613 -5.632 1.00 92.70 O +ATOM 2189 CG2 THR A 273 -18.770 8.006 -7.914 1.00 91.61 C +ATOM 2190 N GLU A 274 -15.933 10.410 -8.323 1.00 95.07 N +ATOM 2191 CA GLU A 274 -15.143 10.868 -9.455 1.00 94.84 C +ATOM 2192 C GLU A 274 -13.659 10.852 -9.109 1.00 95.14 C +ATOM 2193 O GLU A 274 -13.210 11.537 -8.179 1.00 94.47 O +ATOM 2194 CB GLU A 274 -15.563 12.285 -9.881 1.00 93.77 C +ATOM 2195 CG GLU A 274 -16.769 12.285 -10.816 1.00 87.39 C +ATOM 2196 CD GLU A 274 -16.476 11.600 -12.154 1.00 83.30 C +ATOM 2197 OE1 GLU A 274 -17.409 10.998 -12.732 1.00 71.63 O +ATOM 2198 OE2 GLU A 274 -15.311 11.664 -12.593 1.00 69.22 O +ATOM 2199 N ALA A 275 -12.879 10.089 -9.864 1.00 95.27 N +ATOM 2200 CA ALA A 275 -11.445 9.929 -9.616 1.00 95.20 C +ATOM 2201 C ALA A 275 -10.688 11.267 -9.647 1.00 95.27 C +ATOM 2202 O ALA A 275 -9.781 11.480 -8.843 1.00 94.53 O +ATOM 2203 CB ALA A 275 -10.900 8.960 -10.666 1.00 94.65 C +ATOM 2204 N SER A 276 -11.097 12.174 -10.517 1.00 94.93 N +ATOM 2205 CA SER A 276 -10.500 13.516 -10.661 1.00 94.76 C +ATOM 2206 C SER A 276 -10.688 14.430 -9.452 1.00 95.12 C +ATOM 2207 O SER A 276 -9.949 15.390 -9.315 1.00 94.20 O +ATOM 2208 CB SER A 276 -11.107 14.190 -11.899 1.00 93.53 C +ATOM 2209 OG SER A 276 -12.523 14.225 -11.812 1.00 86.43 O +ATOM 2210 N PHE A 277 -11.632 14.143 -8.592 1.00 95.25 N +ATOM 2211 CA PHE A 277 -11.863 14.919 -7.368 1.00 95.15 C +ATOM 2212 C PHE A 277 -11.057 14.448 -6.173 1.00 95.31 C +ATOM 2213 O PHE A 277 -11.004 15.123 -5.152 1.00 94.86 O +ATOM 2214 CB PHE A 277 -13.349 14.919 -7.044 1.00 94.85 C +ATOM 2215 CG PHE A 277 -14.264 15.553 -8.098 1.00 94.29 C +ATOM 2216 CD1 PHE A 277 -13.770 16.350 -9.141 1.00 93.08 C +ATOM 2217 CD2 PHE A 277 -15.651 15.353 -7.995 1.00 92.30 C +ATOM 2218 CE1 PHE A 277 -14.628 16.907 -10.084 1.00 90.70 C +ATOM 2219 CE2 PHE A 277 -16.533 15.917 -8.950 1.00 91.17 C +ATOM 2220 CZ PHE A 277 -16.014 16.690 -9.985 1.00 91.25 C +ATOM 2221 N ARG A 278 -10.419 13.292 -6.271 1.00 95.87 N +ATOM 2222 CA ARG A 278 -9.546 12.796 -5.205 1.00 95.89 C +ATOM 2223 C ARG A 278 -8.236 13.591 -5.179 1.00 95.80 C +ATOM 2224 O ARG A 278 -7.709 13.955 -6.223 1.00 95.46 O +ATOM 2225 CB ARG A 278 -9.274 11.303 -5.389 1.00 95.91 C +ATOM 2226 CG ARG A 278 -10.566 10.481 -5.444 1.00 95.94 C +ATOM 2227 CD ARG A 278 -10.290 9.004 -5.727 1.00 95.69 C +ATOM 2228 NE ARG A 278 -11.493 8.346 -6.216 1.00 95.57 N +ATOM 2229 CZ ARG A 278 -11.578 7.332 -7.061 1.00 95.65 C +ATOM 2230 NH1 ARG A 278 -10.530 6.707 -7.487 1.00 95.00 N +ATOM 2231 NH2 ARG A 278 -12.739 6.966 -7.496 1.00 95.08 N1+ +ATOM 2232 N PRO A 279 -7.674 13.830 -3.993 1.00 96.16 N +ATOM 2233 CA PRO A 279 -6.343 14.448 -3.900 1.00 96.11 C +ATOM 2234 C PRO A 279 -5.285 13.523 -4.496 1.00 96.23 C +ATOM 2235 O PRO A 279 -5.450 12.311 -4.542 1.00 95.85 O +ATOM 2236 CB PRO A 279 -6.122 14.683 -2.404 1.00 95.81 C +ATOM 2237 CG PRO A 279 -6.968 13.594 -1.742 1.00 95.20 C +ATOM 2238 CD PRO A 279 -8.158 13.434 -2.677 1.00 95.87 C +ATOM 2239 N THR A 280 -4.174 14.081 -4.924 1.00 96.41 N +ATOM 2240 CA THR A 280 -2.983 13.275 -5.249 1.00 96.36 C +ATOM 2241 C THR A 280 -2.196 12.960 -3.987 1.00 96.46 C +ATOM 2242 O THR A 280 -2.376 13.597 -2.950 1.00 96.20 O +ATOM 2243 CB THR A 280 -2.090 13.992 -6.274 1.00 96.11 C +ATOM 2244 OG1 THR A 280 -1.496 15.132 -5.696 1.00 95.61 O +ATOM 2245 CG2 THR A 280 -2.854 14.444 -7.518 1.00 95.51 C +ATOM 2246 N PHE A 281 -1.265 12.010 -4.058 1.00 96.46 N +ATOM 2247 CA PHE A 281 -0.358 11.763 -2.936 1.00 96.48 C +ATOM 2248 C PHE A 281 0.511 12.976 -2.619 1.00 96.45 C +ATOM 2249 O PHE A 281 0.716 13.274 -1.440 1.00 96.20 O +ATOM 2250 CB PHE A 281 0.490 10.520 -3.223 1.00 96.50 C +ATOM 2251 CG PHE A 281 -0.290 9.230 -3.089 1.00 96.67 C +ATOM 2252 CD1 PHE A 281 -0.806 8.852 -1.839 1.00 96.41 C +ATOM 2253 CD2 PHE A 281 -0.509 8.407 -4.203 1.00 96.43 C +ATOM 2254 CE1 PHE A 281 -1.541 7.663 -1.697 1.00 96.18 C +ATOM 2255 CE2 PHE A 281 -1.242 7.217 -4.075 1.00 96.20 C +ATOM 2256 CZ PHE A 281 -1.762 6.840 -2.818 1.00 96.20 C +ATOM 2257 N GLU A 282 0.932 13.738 -3.620 1.00 96.51 N +ATOM 2258 CA GLU A 282 1.657 15.004 -3.400 1.00 96.26 C +ATOM 2259 C GLU A 282 0.827 16.021 -2.627 1.00 96.45 C +ATOM 2260 O GLU A 282 1.360 16.713 -1.762 1.00 95.82 O +ATOM 2261 CB GLU A 282 2.087 15.631 -4.730 1.00 95.47 C +ATOM 2262 CG GLU A 282 3.285 14.911 -5.360 1.00 88.55 C +ATOM 2263 CD GLU A 282 3.863 15.683 -6.553 1.00 84.83 C +ATOM 2264 OE1 GLU A 282 5.091 15.573 -6.788 1.00 71.41 O +ATOM 2265 OE2 GLU A 282 3.082 16.405 -7.246 1.00 69.42 O +ATOM 2266 N ASN A 283 -0.474 16.072 -2.852 1.00 96.12 N +ATOM 2267 CA ASN A 283 -1.349 16.961 -2.082 1.00 96.06 C +ATOM 2268 C ASN A 283 -1.555 16.443 -0.656 1.00 96.22 C +ATOM 2269 O ASN A 283 -1.723 17.252 0.261 1.00 95.82 O +ATOM 2270 CB ASN A 283 -2.720 17.085 -2.766 1.00 95.64 C +ATOM 2271 CG ASN A 283 -2.663 17.601 -4.195 1.00 94.10 C +ATOM 2272 OD1 ASN A 283 -3.333 17.057 -5.057 1.00 91.35 O +ATOM 2273 ND2 ASN A 283 -1.885 18.597 -4.504 1.00 88.12 N +ATOM 2274 N LEU A 284 -1.557 15.138 -0.454 1.00 96.33 N +ATOM 2275 CA LEU A 284 -1.796 14.520 0.850 1.00 96.36 C +ATOM 2276 C LEU A 284 -0.611 14.692 1.804 1.00 96.39 C +ATOM 2277 O LEU A 284 -0.842 14.881 2.999 1.00 96.14 O +ATOM 2278 CB LEU A 284 -2.106 13.031 0.648 1.00 96.41 C +ATOM 2279 CG LEU A 284 -3.499 12.764 0.045 1.00 96.26 C +ATOM 2280 CD1 LEU A 284 -3.603 11.285 -0.353 1.00 95.91 C +ATOM 2281 CD2 LEU A 284 -4.603 13.057 1.050 1.00 95.74 C +ATOM 2282 N ILE A 285 0.612 14.677 1.308 1.00 96.26 N +ATOM 2283 CA ILE A 285 1.829 14.811 2.124 1.00 96.26 C +ATOM 2284 C ILE A 285 1.810 16.049 3.021 1.00 96.26 C +ATOM 2285 O ILE A 285 1.894 15.893 4.245 1.00 96.06 O +ATOM 2286 CB ILE A 285 3.093 14.730 1.240 1.00 96.13 C +ATOM 2287 CG1 ILE A 285 3.275 13.331 0.651 1.00 95.78 C +ATOM 2288 CG2 ILE A 285 4.354 15.118 2.040 1.00 95.68 C +ATOM 2289 CD1 ILE A 285 4.181 13.313 -0.591 1.00 94.73 C +ATOM 2290 N PRO A 286 1.683 17.275 2.512 1.00 95.94 N +ATOM 2291 CA PRO A 286 1.710 18.464 3.358 1.00 95.77 C +ATOM 2292 C PRO A 286 0.516 18.531 4.321 1.00 95.84 C +ATOM 2293 O PRO A 286 0.659 19.016 5.448 1.00 95.35 O +ATOM 2294 CB PRO A 286 1.749 19.656 2.395 1.00 95.39 C +ATOM 2295 CG PRO A 286 1.107 19.103 1.119 1.00 94.56 C +ATOM 2296 CD PRO A 286 1.575 17.645 1.115 1.00 95.30 C +ATOM 2297 N ILE A 287 -0.636 18.023 3.910 1.00 95.98 N +ATOM 2298 CA ILE A 287 -1.833 17.951 4.755 1.00 95.87 C +ATOM 2299 C ILE A 287 -1.571 17.038 5.947 1.00 95.96 C +ATOM 2300 O ILE A 287 -1.727 17.441 7.097 1.00 95.63 O +ATOM 2301 CB ILE A 287 -3.066 17.506 3.934 1.00 95.55 C +ATOM 2302 CG1 ILE A 287 -3.391 18.522 2.833 1.00 94.37 C +ATOM 2303 CG2 ILE A 287 -4.289 17.329 4.858 1.00 93.91 C +ATOM 2304 CD1 ILE A 287 -4.436 18.049 1.809 1.00 91.46 C +ATOM 2305 N LEU A 288 -1.110 15.807 5.692 1.00 95.89 N +ATOM 2306 CA LEU A 288 -0.800 14.845 6.744 1.00 95.83 C +ATOM 2307 C LEU A 288 0.345 15.321 7.634 1.00 95.84 C +ATOM 2308 O LEU A 288 0.274 15.102 8.844 1.00 95.51 O +ATOM 2309 CB LEU A 288 -0.461 13.501 6.111 1.00 95.75 C +ATOM 2310 CG LEU A 288 -1.694 12.765 5.590 1.00 95.33 C +ATOM 2311 CD1 LEU A 288 -1.240 11.612 4.709 1.00 94.69 C +ATOM 2312 CD2 LEU A 288 -2.526 12.170 6.742 1.00 94.48 C +ATOM 2313 N LYS A 289 1.324 15.998 7.084 1.00 95.29 N +ATOM 2314 CA LYS A 289 2.413 16.603 7.873 1.00 95.16 C +ATOM 2315 C LYS A 289 1.888 17.617 8.869 1.00 95.28 C +ATOM 2316 O LYS A 289 2.227 17.540 10.062 1.00 94.71 O +ATOM 2317 CB LYS A 289 3.429 17.205 6.898 1.00 94.38 C +ATOM 2318 CG LYS A 289 4.799 17.353 7.544 1.00 90.26 C +ATOM 2319 CD LYS A 289 5.815 17.758 6.457 1.00 86.35 C +ATOM 2320 CE LYS A 289 7.234 17.707 7.032 1.00 79.92 C +ATOM 2321 NZ LYS A 289 8.243 17.888 5.966 1.00 73.41 N1+ +ATOM 2322 N THR A 290 1.020 18.498 8.428 1.00 95.15 N +ATOM 2323 CA THR A 290 0.383 19.512 9.292 1.00 95.03 C +ATOM 2324 C THR A 290 -0.479 18.865 10.377 1.00 95.13 C +ATOM 2325 O THR A 290 -0.413 19.274 11.548 1.00 94.45 O +ATOM 2326 CB THR A 290 -0.495 20.446 8.452 1.00 94.48 C +ATOM 2327 OG1 THR A 290 0.280 21.071 7.450 1.00 91.91 O +ATOM 2328 CG2 THR A 290 -1.103 21.576 9.296 1.00 90.66 C +ATOM 2329 N VAL A 291 -1.266 17.883 10.020 1.00 94.88 N +ATOM 2330 CA VAL A 291 -2.113 17.165 10.980 1.00 94.78 C +ATOM 2331 C VAL A 291 -1.271 16.363 11.972 1.00 94.78 C +ATOM 2332 O VAL A 291 -1.519 16.424 13.168 1.00 94.20 O +ATOM 2333 CB VAL A 291 -3.129 16.268 10.236 1.00 94.29 C +ATOM 2334 CG1 VAL A 291 -4.098 17.108 9.385 1.00 92.40 C +ATOM 2335 CG2 VAL A 291 -4.011 15.490 11.199 1.00 92.08 C +ATOM 2336 N HIS A 292 -0.250 15.694 11.522 1.00 94.99 N +ATOM 2337 CA HIS A 292 0.694 14.989 12.396 1.00 94.83 C +ATOM 2338 C HIS A 292 1.363 15.915 13.408 1.00 94.67 C +ATOM 2339 O HIS A 292 1.366 15.621 14.616 1.00 93.94 O +ATOM 2340 CB HIS A 292 1.736 14.282 11.521 1.00 94.51 C +ATOM 2341 CG HIS A 292 2.907 13.763 12.309 1.00 93.64 C +ATOM 2342 ND1 HIS A 292 2.836 12.856 13.355 1.00 89.75 N1+ +ATOM 2343 CD2 HIS A 292 4.216 14.148 12.206 1.00 88.99 C +ATOM 2344 CE1 HIS A 292 4.081 12.708 13.860 1.00 88.96 C +ATOM 2345 NE2 HIS A 292 4.932 13.467 13.183 1.00 90.59 N +ATOM 2346 N GLU A 293 1.874 17.067 12.983 1.00 93.37 N +ATOM 2347 CA GLU A 293 2.476 18.049 13.900 1.00 93.07 C +ATOM 2348 C GLU A 293 1.480 18.554 14.946 1.00 93.09 C +ATOM 2349 O GLU A 293 1.816 18.607 16.127 1.00 92.29 O +ATOM 2350 CB GLU A 293 3.028 19.233 13.094 1.00 91.69 C +ATOM 2351 CG GLU A 293 4.335 18.849 12.376 1.00 82.57 C +ATOM 2352 CD GLU A 293 4.926 19.968 11.516 1.00 78.11 C +ATOM 2353 OE1 GLU A 293 6.037 19.736 10.974 1.00 67.24 O +ATOM 2354 OE2 GLU A 293 4.277 21.044 11.382 1.00 63.76 O +ATOM 2355 N LYS A 294 0.258 18.817 14.536 1.00 93.27 N +ATOM 2356 CA LYS A 294 -0.824 19.239 15.432 1.00 93.20 C +ATOM 2357 C LYS A 294 -1.077 18.220 16.543 1.00 93.28 C +ATOM 2358 O LYS A 294 -1.197 18.615 17.696 1.00 92.35 O +ATOM 2359 CB LYS A 294 -2.089 19.475 14.604 1.00 92.55 C +ATOM 2360 CG LYS A 294 -3.302 19.900 15.418 1.00 89.44 C +ATOM 2361 CD LYS A 294 -4.502 20.030 14.479 1.00 86.76 C +ATOM 2362 CE LYS A 294 -5.792 20.325 15.229 1.00 81.52 C +ATOM 2363 NZ LYS A 294 -6.960 20.253 14.302 1.00 72.67 N1+ +ATOM 2364 N TYR A 295 -1.131 16.952 16.238 1.00 93.26 N +ATOM 2365 CA TYR A 295 -1.394 15.901 17.241 1.00 93.41 C +ATOM 2366 C TYR A 295 -0.142 15.472 18.014 1.00 93.21 C +ATOM 2367 O TYR A 295 -0.282 15.001 19.151 1.00 92.07 O +ATOM 2368 CB TYR A 295 -2.081 14.721 16.585 1.00 93.23 C +ATOM 2369 CG TYR A 295 -3.523 15.033 16.236 1.00 93.37 C +ATOM 2370 CD1 TYR A 295 -4.491 15.114 17.247 1.00 92.51 C +ATOM 2371 CD2 TYR A 295 -3.886 15.296 14.908 1.00 92.21 C +ATOM 2372 CE1 TYR A 295 -5.808 15.494 16.927 1.00 91.36 C +ATOM 2373 CE2 TYR A 295 -5.190 15.670 14.578 1.00 91.88 C +ATOM 2374 CZ TYR A 295 -6.152 15.777 15.596 1.00 92.11 C +ATOM 2375 OH TYR A 295 -7.425 16.177 15.281 1.00 90.54 O +ATOM 2376 N ARG A 296 1.031 15.681 17.477 1.00 89.56 N +ATOM 2377 CA ARG A 296 2.295 15.407 18.182 1.00 88.37 C +ATOM 2378 C ARG A 296 2.494 16.340 19.400 1.00 87.64 C +ATOM 2379 O ARG A 296 2.966 15.875 20.436 1.00 85.46 O +ATOM 2380 CB ARG A 296 3.471 15.532 17.218 1.00 86.79 C +ATOM 2381 CG ARG A 296 4.710 14.835 17.769 1.00 80.98 C +ATOM 2382 CD ARG A 296 5.904 14.992 16.822 1.00 80.13 C +ATOM 2383 NE ARG A 296 6.530 16.305 16.979 1.00 76.27 N +ATOM 2384 CZ ARG A 296 7.645 16.711 16.390 1.00 71.34 C +ATOM 2385 NH1 ARG A 296 8.266 15.969 15.526 1.00 66.15 N +ATOM 2386 NH2 ARG A 296 8.169 17.868 16.675 1.00 64.28 N1+ +ATOM 2387 N HIS A 297 2.136 17.591 19.288 1.00 80.49 N +ATOM 2388 CA HIS A 297 2.281 18.566 20.368 1.00 80.16 C +ATOM 2389 C HIS A 297 1.302 18.346 21.523 1.00 79.99 C +ATOM 2390 O HIS A 297 1.659 18.658 22.663 1.00 76.27 O +ATOM 2391 CB HIS A 297 2.178 19.980 19.816 1.00 76.88 C +ATOM 2392 CG HIS A 297 3.396 20.366 19.036 1.00 73.79 C +ATOM 2393 ND1 HIS A 297 4.691 20.416 19.539 1.00 64.22 N1+ +ATOM 2394 CD2 HIS A 297 3.469 20.739 17.699 1.00 65.02 C +ATOM 2395 CE1 HIS A 297 5.532 20.784 18.553 1.00 63.76 C +ATOM 2396 NE2 HIS A 297 4.818 20.979 17.425 1.00 63.53 N +ATOM 2397 N HIS A 298 0.163 17.724 21.291 1.00 72.11 N +ATOM 2398 CA HIS A 298 -0.785 17.446 22.372 1.00 71.17 C +ATOM 2399 C HIS A 298 -0.332 16.367 23.352 1.00 71.33 C +ATOM 2400 O HIS A 298 -0.761 16.383 24.495 1.00 67.42 O +ATOM 2401 CB HIS A 298 -2.146 17.082 21.736 1.00 66.56 C +ATOM 2402 CG HIS A 298 -2.900 18.290 21.271 1.00 64.87 C +ATOM 2403 ND1 HIS A 298 -3.274 19.373 22.082 1.00 54.03 N1+ +ATOM 2404 CD2 HIS A 298 -3.360 18.583 20.013 1.00 54.55 C +ATOM 2405 CE1 HIS A 298 -3.947 20.240 21.320 1.00 52.08 C +ATOM 2406 NE2 HIS A 298 -4.000 19.797 20.053 1.00 55.09 N +ATOM 2407 N HIS A 299 0.586 15.505 22.969 1.00 63.76 N +ATOM 2408 CA HIS A 299 1.118 14.443 23.852 1.00 63.31 C +ATOM 2409 C HIS A 299 2.254 14.910 24.794 1.00 63.58 C +ATOM 2410 O HIS A 299 2.644 14.155 25.673 1.00 58.78 O +ATOM 2411 CB HIS A 299 1.518 13.230 23.025 1.00 58.72 C +ATOM 2412 CG HIS A 299 0.368 12.306 22.774 1.00 56.24 C +ATOM 2413 ND1 HIS A 299 -0.330 11.647 23.777 1.00 48.16 N1+ +ATOM 2414 CD2 HIS A 299 -0.199 11.933 21.581 1.00 48.57 C +ATOM 2415 CE1 HIS A 299 -1.285 10.891 23.225 1.00 46.57 C +ATOM 2416 NE2 HIS A 299 -1.219 11.056 21.868 1.00 48.88 N +ATOM 2417 N HIS A 300 2.797 16.118 24.611 1.00 57.14 N +ATOM 2418 CA HIS A 300 3.827 16.663 25.490 1.00 55.23 C +ATOM 2419 C HIS A 300 3.283 17.578 26.602 1.00 56.24 C +ATOM 2420 O HIS A 300 4.061 18.100 27.382 1.00 52.73 O +ATOM 2421 CB HIS A 300 4.892 17.353 24.653 1.00 50.85 C +ATOM 2422 CG HIS A 300 5.840 16.407 23.978 1.00 47.63 C +ATOM 2423 ND1 HIS A 300 6.325 15.216 24.518 1.00 41.89 N1+ +ATOM 2424 CD2 HIS A 300 6.448 16.571 22.778 1.00 41.26 C +ATOM 2425 CE1 HIS A 300 7.191 14.675 23.664 1.00 38.10 C +ATOM 2426 NE2 HIS A 300 7.290 15.472 22.563 1.00 42.04 N +ATOM 2427 N HIS A 301 1.968 17.750 26.678 1.00 59.83 N +ATOM 2428 CA HIS A 301 1.325 18.627 27.677 1.00 58.11 C +ATOM 2429 C HIS A 301 0.391 17.873 28.643 1.00 58.14 C +ATOM 2430 O HIS A 301 -0.373 18.529 29.339 1.00 53.50 O +ATOM 2431 CB HIS A 301 0.597 19.755 26.943 1.00 53.58 C +ATOM 2432 CG HIS A 301 1.545 20.789 26.413 1.00 50.66 C +ATOM 2433 ND1 HIS A 301 2.443 21.514 27.180 1.00 44.18 N1+ +ATOM 2434 CD2 HIS A 301 1.664 21.264 25.124 1.00 43.25 C +ATOM 2435 CE1 HIS A 301 3.100 22.369 26.392 1.00 40.29 C +ATOM 2436 NE2 HIS A 301 2.646 22.253 25.124 1.00 42.39 N +ATOM 2437 N HIS A 302 0.497 16.562 28.715 1.00 52.39 N +ATOM 2438 CA HIS A 302 -0.220 15.751 29.709 1.00 49.93 C +ATOM 2439 C HIS A 302 0.711 14.783 30.422 1.00 49.58 C +ATOM 2440 O HIS A 302 1.613 14.243 29.774 1.00 44.40 O +ATOM 2441 CB HIS A 302 -1.378 14.987 29.036 1.00 45.35 C +ATOM 2442 CG HIS A 302 -2.578 15.868 28.786 1.00 42.70 C +ATOM 2443 ND1 HIS A 302 -3.182 16.667 29.721 1.00 37.43 N1+ +ATOM 2444 CD2 HIS A 302 -3.278 16.039 27.616 1.00 35.87 C +ATOM 2445 CE1 HIS A 302 -4.222 17.279 29.161 1.00 33.59 C +ATOM 2446 NE2 HIS A 302 -4.295 16.912 27.879 1.00 36.25 N +HETATM 2447 C1 LIG Z 1 8.595 -9.848 10.355 1.00 91.76 C +HETATM 2448 C2 LIG Z 1 8.187 -9.879 8.872 1.00 93.03 C +HETATM 2449 O1 LIG Z 1 7.155 -10.529 8.544 1.00 90.48 O +HETATM 2450 N1 LIG Z 1 9.017 -9.184 8.023 1.00 94.01 N +HETATM 2451 C3 LIG Z 1 8.903 -9.058 6.648 1.00 94.51 C +HETATM 2452 C4 LIG Z 1 7.724 -9.428 6.009 1.00 93.92 C +HETATM 2453 C5 LIG Z 1 7.662 -9.277 4.655 1.00 93.60 C +HETATM 2454 N2 LIG Z 1 6.412 -9.596 4.110 1.00 91.30 N +HETATM 2455 C6 LIG Z 1 6.009 -9.434 2.856 1.00 91.89 C +HETATM 2456 O2 LIG Z 1 6.759 -9.036 1.925 1.00 89.55 O +HETATM 2457 C7 LIG Z 1 4.614 -9.717 2.548 1.00 90.55 C +HETATM 2458 C8 LIG Z 1 3.794 -8.726 2.018 1.00 87.97 C +HETATM 2459 CL1 LIG Z 1 4.405 -7.096 1.779 1.00 87.40 CL +HETATM 2460 C9 LIG Z 1 2.462 -8.948 1.695 1.00 86.78 C +HETATM 2461 C10 LIG Z 1 1.893 -10.200 1.891 1.00 86.87 C +HETATM 2462 C11 LIG Z 1 2.660 -11.217 2.434 1.00 85.26 C +HETATM 2463 C12 LIG Z 1 4.010 -10.974 2.760 1.00 88.02 C +HETATM 2464 CL2 LIG Z 1 4.905 -12.269 3.479 1.00 86.01 CL +HETATM 2465 C13 LIG Z 1 8.725 -8.773 3.919 1.00 93.80 C +HETATM 2466 C14 LIG Z 1 9.906 -8.405 4.627 1.00 94.12 C +HETATM 2467 N3 LIG Z 1 9.969 -8.538 5.951 1.00 94.72 N +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2450 +CONECT 2449 2448 +CONECT 2450 2448 2451 +CONECT 2451 2450 2452 2467 +CONECT 2452 2451 2453 +CONECT 2453 2452 2454 2465 +CONECT 2454 2453 2455 +CONECT 2455 2454 2456 2457 +CONECT 2456 2455 +CONECT 2457 2455 2458 2463 +CONECT 2458 2457 2459 2460 +CONECT 2459 2458 +CONECT 2460 2458 2461 +CONECT 2461 2460 2462 +CONECT 2462 2461 2463 +CONECT 2463 2462 2464 2457 +CONECT 2464 2463 +CONECT 2465 2453 2466 +CONECT 2466 2465 2467 +CONECT 2467 2466 2451 diff --git a/cookbook/assets/of3_output/lig_ejm_42_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_42_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..be77ca0 --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_42_seed_42_sample_1_model.pdb @@ -0,0 +1,3092 @@ +ATOM 1 N MET A 1 44.534 -11.080 -13.755 1.00 35.37 N +ATOM 2 CA MET A 1 43.127 -10.993 -14.245 1.00 31.53 C +ATOM 3 C MET A 1 42.278 -10.701 -13.013 1.00 32.53 C +ATOM 4 O MET A 1 42.277 -11.540 -12.090 1.00 29.98 O +ATOM 5 CB MET A 1 42.716 -12.317 -14.897 1.00 29.33 C +ATOM 6 CG MET A 1 43.381 -12.494 -16.277 1.00 27.63 C +ATOM 7 SD MET A 1 43.106 -14.109 -16.983 1.00 24.26 S +ATOM 8 CE MET A 1 43.646 -13.819 -18.662 1.00 21.92 C +ATOM 9 N GLY A 2 41.662 -9.522 -12.916 1.00 34.41 N +ATOM 10 CA GLY A 2 40.719 -9.258 -11.838 1.00 32.23 C +ATOM 11 C GLY A 2 39.563 -10.226 -11.980 1.00 34.64 C +ATOM 12 O GLY A 2 39.103 -10.481 -13.080 1.00 33.28 O +ATOM 13 N SER A 3 39.070 -10.759 -10.882 1.00 42.23 N +ATOM 14 CA SER A 3 37.829 -11.498 -10.913 1.00 41.57 C +ATOM 15 C SER A 3 36.749 -10.539 -11.448 1.00 42.83 C +ATOM 16 O SER A 3 36.708 -9.402 -10.988 1.00 40.93 O +ATOM 17 CB SER A 3 37.424 -11.934 -9.477 1.00 37.39 C +ATOM 18 OG SER A 3 38.409 -12.814 -8.998 1.00 35.27 O +ATOM 19 N PRO A 4 35.928 -10.967 -12.400 1.00 47.20 N +ATOM 20 CA PRO A 4 34.844 -10.137 -12.848 1.00 45.45 C +ATOM 21 C PRO A 4 34.033 -9.788 -11.616 1.00 47.80 C +ATOM 22 O PRO A 4 33.705 -10.685 -10.828 1.00 44.28 O +ATOM 23 CB PRO A 4 34.068 -10.985 -13.873 1.00 40.24 C +ATOM 24 CG PRO A 4 34.435 -12.423 -13.520 1.00 39.52 C +ATOM 25 CD PRO A 4 35.867 -12.299 -12.985 1.00 40.48 C +ATOM 26 N ALA A 5 33.799 -8.498 -11.387 1.00 54.64 N +ATOM 27 CA ALA A 5 33.058 -8.056 -10.234 1.00 54.47 C +ATOM 28 C ALA A 5 31.723 -8.800 -10.257 1.00 56.65 C +ATOM 29 O ALA A 5 30.955 -8.681 -11.206 1.00 53.09 O +ATOM 30 CB ALA A 5 32.883 -6.543 -10.274 1.00 48.02 C +ATOM 31 N SER A 6 31.456 -9.599 -9.256 1.00 67.51 N +ATOM 32 CA SER A 6 30.240 -10.348 -9.165 1.00 68.28 C +ATOM 33 C SER A 6 29.090 -9.341 -9.115 1.00 69.93 C +ATOM 34 O SER A 6 29.121 -8.452 -8.263 1.00 65.48 O +ATOM 35 CB SER A 6 30.243 -11.205 -7.909 1.00 62.46 C +ATOM 36 OG SER A 6 29.002 -11.891 -7.755 1.00 55.83 O +ATOM 37 N ASP A 7 28.131 -9.490 -9.988 1.00 77.93 N +ATOM 38 CA ASP A 7 26.957 -8.633 -9.973 1.00 79.43 C +ATOM 39 C ASP A 7 26.256 -8.785 -8.608 1.00 81.25 C +ATOM 40 O ASP A 7 25.776 -9.878 -8.287 1.00 80.18 O +ATOM 41 CB ASP A 7 26.030 -8.989 -11.135 1.00 76.35 C +ATOM 42 CG ASP A 7 24.757 -8.164 -11.205 1.00 73.71 C +ATOM 43 OD1 ASP A 7 24.463 -7.376 -10.260 1.00 66.08 O +ATOM 44 OD2 ASP A 7 23.996 -8.350 -12.169 1.00 68.29 O +ATOM 45 N PRO A 8 26.184 -7.718 -7.791 1.00 85.36 N +ATOM 46 CA PRO A 8 25.642 -7.805 -6.453 1.00 85.90 C +ATOM 47 C PRO A 8 24.141 -8.116 -6.442 1.00 86.89 C +ATOM 48 O PRO A 8 23.602 -8.461 -5.382 1.00 84.25 O +ATOM 49 CB PRO A 8 25.955 -6.449 -5.816 1.00 82.39 C +ATOM 50 CG PRO A 8 25.974 -5.500 -7.017 1.00 79.45 C +ATOM 51 CD PRO A 8 26.583 -6.343 -8.111 1.00 82.64 C +ATOM 52 N THR A 9 23.475 -8.035 -7.584 1.00 89.46 N +ATOM 53 CA THR A 9 22.066 -8.404 -7.734 1.00 89.95 C +ATOM 54 C THR A 9 21.861 -9.882 -8.047 1.00 90.41 C +ATOM 55 O THR A 9 20.716 -10.340 -8.095 1.00 88.53 O +ATOM 56 CB THR A 9 21.386 -7.530 -8.806 1.00 88.46 C +ATOM 57 OG1 THR A 9 21.783 -7.870 -10.104 1.00 86.01 O +ATOM 58 CG2 THR A 9 21.627 -6.043 -8.594 1.00 85.90 C +ATOM 59 N VAL A 10 22.904 -10.661 -8.249 1.00 91.62 N +ATOM 60 CA VAL A 10 22.805 -12.094 -8.465 1.00 91.79 C +ATOM 61 C VAL A 10 23.042 -12.833 -7.151 1.00 92.29 C +ATOM 62 O VAL A 10 24.162 -12.922 -6.652 1.00 91.30 O +ATOM 63 CB VAL A 10 23.760 -12.557 -9.566 1.00 90.37 C +ATOM 64 CG1 VAL A 10 23.413 -11.888 -10.895 1.00 85.47 C +ATOM 65 CG2 VAL A 10 23.642 -14.080 -9.764 1.00 85.53 C +ATOM 66 N PHE A 11 22.010 -13.421 -6.633 1.00 92.57 N +ATOM 67 CA PHE A 11 22.068 -14.233 -5.429 1.00 92.87 C +ATOM 68 C PHE A 11 22.199 -15.713 -5.790 1.00 92.89 C +ATOM 69 O PHE A 11 21.474 -16.247 -6.618 1.00 92.23 O +ATOM 70 CB PHE A 11 20.829 -13.970 -4.566 1.00 92.96 C +ATOM 71 CG PHE A 11 20.895 -12.646 -3.832 1.00 93.76 C +ATOM 72 CD1 PHE A 11 21.140 -12.617 -2.451 1.00 92.88 C +ATOM 73 CD2 PHE A 11 20.725 -11.448 -4.523 1.00 92.66 C +ATOM 74 CE1 PHE A 11 21.241 -11.386 -1.768 1.00 92.08 C +ATOM 75 CE2 PHE A 11 20.819 -10.208 -3.859 1.00 92.56 C +ATOM 76 CZ PHE A 11 21.103 -10.192 -2.480 1.00 92.66 C +ATOM 77 N HIS A 12 23.127 -16.393 -5.150 1.00 91.61 N +ATOM 78 CA HIS A 12 23.341 -17.798 -5.389 1.00 91.51 C +ATOM 79 C HIS A 12 22.607 -18.673 -4.372 1.00 91.80 C +ATOM 80 O HIS A 12 22.852 -18.590 -3.175 1.00 90.74 O +ATOM 81 CB HIS A 12 24.835 -18.105 -5.381 1.00 90.23 C +ATOM 82 CG HIS A 12 25.580 -17.425 -6.493 1.00 88.45 C +ATOM 83 ND1 HIS A 12 25.517 -17.800 -7.815 1.00 80.42 N1+ +ATOM 84 CD2 HIS A 12 26.392 -16.343 -6.397 1.00 79.63 C +ATOM 85 CE1 HIS A 12 26.303 -16.947 -8.514 1.00 79.02 C +ATOM 86 NE2 HIS A 12 26.830 -16.048 -7.672 1.00 80.22 N +ATOM 87 N LYS A 13 21.772 -19.559 -4.857 1.00 90.49 N +ATOM 88 CA LYS A 13 20.938 -20.418 -4.043 1.00 90.71 C +ATOM 89 C LYS A 13 21.706 -21.218 -2.984 1.00 91.30 C +ATOM 90 O LYS A 13 21.200 -21.453 -1.899 1.00 89.80 O +ATOM 91 CB LYS A 13 20.102 -21.324 -4.955 1.00 88.51 C +ATOM 92 CG LYS A 13 18.971 -22.055 -4.218 1.00 77.80 C +ATOM 93 CD LYS A 13 17.991 -22.688 -5.223 1.00 73.49 C +ATOM 94 CE LYS A 13 16.781 -23.301 -4.533 1.00 67.12 C +ATOM 95 NZ LYS A 13 15.711 -23.655 -5.511 1.00 60.54 N1+ +ATOM 96 N ARG A 14 22.943 -21.601 -3.290 1.00 89.99 N +ATOM 97 CA ARG A 14 23.811 -22.335 -2.349 1.00 89.68 C +ATOM 98 C ARG A 14 24.156 -21.545 -1.082 1.00 90.13 C +ATOM 99 O ARG A 14 24.521 -22.191 -0.086 1.00 88.43 O +ATOM 100 CB ARG A 14 25.084 -22.781 -3.090 1.00 88.10 C +ATOM 101 CG ARG A 14 25.984 -21.618 -3.526 1.00 82.07 C +ATOM 102 CD ARG A 14 27.221 -22.117 -4.245 1.00 78.63 C +ATOM 103 NE ARG A 14 28.074 -21.017 -4.688 1.00 73.39 N +ATOM 104 CZ ARG A 14 28.087 -20.430 -5.875 1.00 68.04 C +ATOM 105 NH1 ARG A 14 27.257 -20.782 -6.808 1.00 62.35 N +ATOM 106 NH2 ARG A 14 28.907 -19.460 -6.109 1.00 61.68 N1+ +ATOM 107 N TYR A 15 24.116 -20.235 -1.125 1.00 91.34 N +ATOM 108 CA TYR A 15 24.382 -19.372 0.034 1.00 91.57 C +ATOM 109 C TYR A 15 23.122 -18.894 0.747 1.00 91.91 C +ATOM 110 O TYR A 15 23.231 -18.226 1.765 1.00 90.95 O +ATOM 111 CB TYR A 15 25.231 -18.177 -0.431 1.00 91.10 C +ATOM 112 CG TYR A 15 26.521 -18.544 -1.127 1.00 90.87 C +ATOM 113 CD1 TYR A 15 27.416 -19.452 -0.518 1.00 88.41 C +ATOM 114 CD2 TYR A 15 26.865 -17.946 -2.341 1.00 87.85 C +ATOM 115 CE1 TYR A 15 28.639 -19.770 -1.145 1.00 86.61 C +ATOM 116 CE2 TYR A 15 28.073 -18.225 -2.981 1.00 87.35 C +ATOM 117 CZ TYR A 15 28.959 -19.137 -2.382 1.00 87.64 C +ATOM 118 OH TYR A 15 30.169 -19.408 -2.996 1.00 85.58 O +ATOM 119 N LEU A 16 21.952 -19.213 0.236 1.00 91.93 N +ATOM 120 CA LEU A 16 20.666 -18.910 0.859 1.00 92.29 C +ATOM 121 C LEU A 16 20.280 -20.038 1.825 1.00 92.21 C +ATOM 122 O LEU A 16 19.940 -21.138 1.400 1.00 91.00 O +ATOM 123 CB LEU A 16 19.597 -18.692 -0.216 1.00 91.84 C +ATOM 124 CG LEU A 16 19.673 -17.325 -0.925 1.00 90.19 C +ATOM 125 CD1 LEU A 16 18.699 -17.304 -2.111 1.00 89.12 C +ATOM 126 CD2 LEU A 16 19.258 -16.179 -0.003 1.00 88.50 C +ATOM 127 N LYS A 17 20.247 -19.729 3.102 1.00 92.59 N +ATOM 128 CA LYS A 17 19.823 -20.636 4.160 1.00 92.30 C +ATOM 129 C LYS A 17 18.452 -20.199 4.652 1.00 92.45 C +ATOM 130 O LYS A 17 18.321 -19.142 5.275 1.00 91.34 O +ATOM 131 CB LYS A 17 20.863 -20.654 5.289 1.00 90.89 C +ATOM 132 CG LYS A 17 22.213 -21.208 4.812 1.00 84.54 C +ATOM 133 CD LYS A 17 23.309 -21.059 5.886 1.00 80.85 C +ATOM 134 CE LYS A 17 24.652 -21.523 5.292 1.00 75.68 C +ATOM 135 NZ LYS A 17 25.833 -21.077 6.107 1.00 66.97 N1+ +ATOM 136 N LYS A 18 17.439 -20.987 4.386 1.00 91.90 N +ATOM 137 CA LYS A 18 16.083 -20.686 4.833 1.00 91.91 C +ATOM 138 C LYS A 18 16.004 -20.745 6.367 1.00 91.88 C +ATOM 139 O LYS A 18 16.438 -21.702 6.965 1.00 90.87 O +ATOM 140 CB LYS A 18 15.063 -21.634 4.188 1.00 91.18 C +ATOM 141 CG LYS A 18 13.623 -21.242 4.525 1.00 88.16 C +ATOM 142 CD LYS A 18 12.579 -22.122 3.830 1.00 86.17 C +ATOM 143 CE LYS A 18 11.202 -21.631 4.267 1.00 82.08 C +ATOM 144 NZ LYS A 18 10.073 -22.371 3.647 1.00 77.04 N1+ +ATOM 145 N ILE A 19 15.355 -19.709 6.942 1.00 92.18 N +ATOM 146 CA ILE A 19 15.120 -19.625 8.387 1.00 92.23 C +ATOM 147 C ILE A 19 13.674 -19.946 8.700 1.00 92.30 C +ATOM 148 O ILE A 19 13.399 -20.834 9.514 1.00 91.56 O +ATOM 149 CB ILE A 19 15.555 -18.224 8.910 1.00 91.67 C +ATOM 150 CG1 ILE A 19 17.052 -17.969 8.624 1.00 89.73 C +ATOM 151 CG2 ILE A 19 15.245 -18.100 10.414 1.00 88.79 C +ATOM 152 CD1 ILE A 19 17.532 -16.567 9.001 1.00 84.76 C +ATOM 153 N ARG A 20 12.727 -19.238 8.063 1.00 90.28 N +ATOM 154 CA ARG A 20 11.291 -19.440 8.294 1.00 89.81 C +ATOM 155 C ARG A 20 10.460 -18.848 7.171 1.00 90.22 C +ATOM 156 O ARG A 20 10.931 -17.994 6.442 1.00 89.11 O +ATOM 157 CB ARG A 20 10.886 -18.843 9.649 1.00 88.55 C +ATOM 158 CG ARG A 20 11.068 -17.298 9.718 1.00 84.42 C +ATOM 159 CD ARG A 20 10.692 -16.771 11.104 1.00 81.53 C +ATOM 160 NE ARG A 20 10.751 -15.311 11.131 1.00 78.35 N +ATOM 161 CZ ARG A 20 10.675 -14.515 12.192 1.00 75.75 C +ATOM 162 NH1 ARG A 20 10.582 -15.020 13.395 1.00 71.57 N +ATOM 163 NH2 ARG A 20 10.716 -13.243 12.071 1.00 70.77 N1+ +ATOM 164 N ASP A 21 9.200 -19.213 7.115 1.00 90.63 N +ATOM 165 CA ASP A 21 8.226 -18.550 6.267 1.00 90.96 C +ATOM 166 C ASP A 21 7.773 -17.253 6.926 1.00 91.19 C +ATOM 167 O ASP A 21 7.593 -17.187 8.146 1.00 90.09 O +ATOM 168 CB ASP A 21 7.077 -19.505 5.987 1.00 89.94 C +ATOM 169 CG ASP A 21 7.526 -20.732 5.193 1.00 87.14 C +ATOM 170 OD1 ASP A 21 8.400 -20.611 4.322 1.00 82.47 O +ATOM 171 OD2 ASP A 21 7.003 -21.842 5.429 1.00 80.67 O +ATOM 172 N LEU A 22 7.589 -16.230 6.112 1.00 91.16 N +ATOM 173 CA LEU A 22 7.077 -14.923 6.533 1.00 91.24 C +ATOM 174 C LEU A 22 5.613 -14.733 6.169 1.00 90.98 C +ATOM 175 O LEU A 22 4.893 -14.024 6.864 1.00 90.07 O +ATOM 176 CB LEU A 22 7.936 -13.816 5.900 1.00 91.65 C +ATOM 177 CG LEU A 22 9.399 -13.778 6.337 1.00 92.32 C +ATOM 178 CD1 LEU A 22 10.131 -12.668 5.592 1.00 91.76 C +ATOM 179 CD2 LEU A 22 9.541 -13.513 7.837 1.00 91.30 C +ATOM 180 N GLY A 23 5.164 -15.362 5.107 1.00 85.95 N +ATOM 181 CA GLY A 23 3.774 -15.319 4.659 1.00 85.13 C +ATOM 182 C GLY A 23 3.618 -15.554 3.168 1.00 85.54 C +ATOM 183 O GLY A 23 4.553 -15.947 2.481 1.00 84.52 O +ATOM 184 N GLU A 24 2.433 -15.331 2.677 1.00 81.02 N +ATOM 185 CA GLU A 24 2.125 -15.409 1.253 1.00 81.06 C +ATOM 186 C GLU A 24 1.689 -14.045 0.735 1.00 81.12 C +ATOM 187 O GLU A 24 0.855 -13.366 1.338 1.00 77.79 O +ATOM 188 CB GLU A 24 1.069 -16.474 0.960 1.00 78.33 C +ATOM 189 CG GLU A 24 1.540 -17.883 1.328 1.00 73.33 C +ATOM 190 CD GLU A 24 0.676 -19.007 0.749 1.00 70.39 C +ATOM 191 OE1 GLU A 24 1.110 -20.179 0.838 1.00 59.75 O +ATOM 192 OE2 GLU A 24 -0.400 -18.709 0.176 1.00 59.62 O +ATOM 193 N GLY A 25 2.262 -13.636 -0.384 1.00 80.19 N +ATOM 194 CA GLY A 25 1.854 -12.472 -1.156 1.00 80.22 C +ATOM 195 C GLY A 25 1.191 -12.899 -2.461 1.00 82.13 C +ATOM 196 O GLY A 25 0.921 -14.089 -2.690 1.00 79.07 O +ATOM 197 N HIS A 26 0.933 -11.933 -3.344 1.00 78.84 N +ATOM 198 CA HIS A 26 0.458 -12.285 -4.682 1.00 78.33 C +ATOM 199 C HIS A 26 1.496 -13.124 -5.429 1.00 79.14 C +ATOM 200 O HIS A 26 2.692 -12.881 -5.325 1.00 75.94 O +ATOM 201 CB HIS A 26 0.097 -11.008 -5.450 1.00 75.13 C +ATOM 202 CG HIS A 26 -1.287 -11.088 -6.009 1.00 74.62 C +ATOM 203 ND1 HIS A 26 -1.619 -11.653 -7.242 1.00 61.97 N1+ +ATOM 204 CD2 HIS A 26 -2.453 -10.690 -5.409 1.00 64.33 C +ATOM 205 CE1 HIS A 26 -2.960 -11.579 -7.387 1.00 63.08 C +ATOM 206 NE2 HIS A 26 -3.493 -11.005 -6.294 1.00 63.52 N +ATOM 207 N PHE A 27 1.052 -14.102 -6.145 1.00 78.31 N +ATOM 208 CA PHE A 27 1.832 -15.064 -6.954 1.00 79.22 C +ATOM 209 C PHE A 27 2.800 -16.004 -6.230 1.00 79.52 C +ATOM 210 O PHE A 27 3.302 -16.932 -6.861 1.00 73.00 O +ATOM 211 CB PHE A 27 2.574 -14.330 -8.078 1.00 74.47 C +ATOM 212 CG PHE A 27 1.715 -13.373 -8.859 1.00 76.64 C +ATOM 213 CD1 PHE A 27 0.584 -13.847 -9.545 1.00 70.49 C +ATOM 214 CD2 PHE A 27 2.026 -12.006 -8.905 1.00 72.20 C +ATOM 215 CE1 PHE A 27 -0.230 -12.965 -10.258 1.00 67.11 C +ATOM 216 CE2 PHE A 27 1.217 -11.118 -9.635 1.00 70.19 C +ATOM 217 CZ PHE A 27 0.097 -11.596 -10.309 1.00 70.14 C +ATOM 218 N GLY A 28 3.066 -15.817 -4.943 1.00 81.57 N +ATOM 219 CA GLY A 28 4.092 -16.622 -4.309 1.00 82.10 C +ATOM 220 C GLY A 28 4.160 -16.536 -2.800 1.00 83.49 C +ATOM 221 O GLY A 28 3.341 -15.922 -2.133 1.00 81.34 O +ATOM 222 N LYS A 29 5.165 -17.197 -2.279 1.00 88.18 N +ATOM 223 CA LYS A 29 5.470 -17.286 -0.866 1.00 88.67 C +ATOM 224 C LYS A 29 6.711 -16.464 -0.534 1.00 89.36 C +ATOM 225 O LYS A 29 7.704 -16.563 -1.255 1.00 87.52 O +ATOM 226 CB LYS A 29 5.649 -18.760 -0.511 1.00 86.38 C +ATOM 227 CG LYS A 29 5.696 -18.977 0.990 1.00 78.81 C +ATOM 228 CD LYS A 29 5.825 -20.471 1.301 1.00 73.64 C +ATOM 229 CE LYS A 29 5.548 -20.690 2.769 1.00 67.77 C +ATOM 230 NZ LYS A 29 5.735 -22.084 3.193 1.00 62.22 N1+ +ATOM 231 N VAL A 30 6.683 -15.731 0.557 1.00 92.07 N +ATOM 232 CA VAL A 30 7.830 -14.983 1.080 1.00 92.27 C +ATOM 233 C VAL A 30 8.398 -15.713 2.281 1.00 92.34 C +ATOM 234 O VAL A 30 7.689 -16.086 3.202 1.00 91.75 O +ATOM 235 CB VAL A 30 7.465 -13.530 1.421 1.00 91.82 C +ATOM 236 CG1 VAL A 30 6.803 -12.819 0.237 1.00 90.96 C +ATOM 237 CG2 VAL A 30 8.719 -12.735 1.802 1.00 90.83 C +ATOM 238 N SER A 31 9.703 -15.901 2.264 1.00 93.63 N +ATOM 239 CA SER A 31 10.431 -16.550 3.349 1.00 93.61 C +ATOM 240 C SER A 31 11.639 -15.733 3.770 1.00 93.81 C +ATOM 241 O SER A 31 12.265 -15.066 2.946 1.00 93.08 O +ATOM 242 CB SER A 31 10.867 -17.949 2.942 1.00 92.92 C +ATOM 243 OG SER A 31 9.762 -18.751 2.545 1.00 90.20 O +ATOM 244 N LEU A 32 11.980 -15.775 5.043 1.00 93.70 N +ATOM 245 CA LEU A 32 13.228 -15.225 5.560 1.00 93.85 C +ATOM 246 C LEU A 32 14.367 -16.188 5.263 1.00 93.87 C +ATOM 247 O LEU A 32 14.276 -17.372 5.591 1.00 93.40 O +ATOM 248 CB LEU A 32 13.067 -14.968 7.060 1.00 93.72 C +ATOM 249 CG LEU A 32 14.333 -14.441 7.760 1.00 93.06 C +ATOM 250 CD1 LEU A 32 14.067 -14.307 9.266 1.00 92.42 C +ATOM 251 CD2 LEU A 32 14.743 -13.062 7.244 1.00 92.27 C +ATOM 252 N TYR A 33 15.425 -15.647 4.720 1.00 94.04 N +ATOM 253 CA TYR A 33 16.675 -16.358 4.490 1.00 94.00 C +ATOM 254 C TYR A 33 17.850 -15.579 5.078 1.00 94.08 C +ATOM 255 O TYR A 33 17.814 -14.365 5.136 1.00 93.62 O +ATOM 256 CB TYR A 33 16.894 -16.597 3.001 1.00 93.65 C +ATOM 257 CG TYR A 33 16.040 -17.679 2.377 1.00 93.31 C +ATOM 258 CD1 TYR A 33 16.619 -18.916 2.043 1.00 92.11 C +ATOM 259 CD2 TYR A 33 14.688 -17.455 2.100 1.00 91.93 C +ATOM 260 CE1 TYR A 33 15.856 -19.937 1.444 1.00 91.05 C +ATOM 261 CE2 TYR A 33 13.902 -18.464 1.514 1.00 91.02 C +ATOM 262 CZ TYR A 33 14.488 -19.697 1.184 1.00 91.24 C +ATOM 263 OH TYR A 33 13.712 -20.673 0.594 1.00 90.19 O +ATOM 264 N CYS A 34 18.895 -16.285 5.445 1.00 93.57 N +ATOM 265 CA CYS A 34 20.223 -15.721 5.610 1.00 93.60 C +ATOM 266 C CYS A 34 21.001 -15.952 4.316 1.00 93.70 C +ATOM 267 O CYS A 34 21.091 -17.100 3.864 1.00 92.73 O +ATOM 268 CB CYS A 34 20.877 -16.392 6.800 1.00 92.47 C +ATOM 269 SG CYS A 34 22.520 -15.703 7.118 1.00 88.46 S +ATOM 270 N TYR A 35 21.541 -14.890 3.731 1.00 92.23 N +ATOM 271 CA TYR A 35 22.452 -14.993 2.594 1.00 92.20 C +ATOM 272 C TYR A 35 23.881 -14.845 3.091 1.00 91.81 C +ATOM 273 O TYR A 35 24.292 -13.767 3.489 1.00 91.04 O +ATOM 274 CB TYR A 35 22.104 -13.943 1.541 1.00 92.38 C +ATOM 275 CG TYR A 35 22.907 -14.116 0.267 1.00 93.27 C +ATOM 276 CD1 TYR A 35 22.690 -15.258 -0.530 1.00 92.62 C +ATOM 277 CD2 TYR A 35 23.900 -13.197 -0.103 1.00 92.71 C +ATOM 278 CE1 TYR A 35 23.415 -15.448 -1.707 1.00 92.27 C +ATOM 279 CE2 TYR A 35 24.621 -13.372 -1.283 1.00 92.32 C +ATOM 280 CZ TYR A 35 24.402 -14.512 -2.080 1.00 92.48 C +ATOM 281 OH TYR A 35 25.102 -14.693 -3.259 1.00 91.40 O +ATOM 282 N ASP A 36 24.611 -15.917 3.069 1.00 89.26 N +ATOM 283 CA ASP A 36 25.945 -16.020 3.651 1.00 89.47 C +ATOM 284 C ASP A 36 26.975 -16.550 2.609 1.00 89.19 C +ATOM 285 O ASP A 36 27.292 -17.749 2.615 1.00 87.99 O +ATOM 286 CB ASP A 36 25.843 -16.894 4.907 1.00 88.78 C +ATOM 287 CG ASP A 36 27.138 -16.926 5.722 1.00 89.55 C +ATOM 288 OD1 ASP A 36 28.045 -16.127 5.434 1.00 85.69 O +ATOM 289 OD2 ASP A 36 27.198 -17.739 6.671 1.00 84.94 O +ATOM 290 N PRO A 37 27.451 -15.679 1.722 1.00 88.20 N +ATOM 291 CA PRO A 37 28.368 -16.110 0.652 1.00 87.68 C +ATOM 292 C PRO A 37 29.768 -16.470 1.182 1.00 87.53 C +ATOM 293 O PRO A 37 30.500 -17.214 0.496 1.00 84.77 O +ATOM 294 CB PRO A 37 28.426 -14.931 -0.323 1.00 85.97 C +ATOM 295 CG PRO A 37 28.084 -13.726 0.553 1.00 84.72 C +ATOM 296 CD PRO A 37 27.110 -14.286 1.560 1.00 87.06 C +ATOM 297 N THR A 38 30.163 -15.968 2.322 1.00 85.96 N +ATOM 298 CA THR A 38 31.444 -16.276 2.939 1.00 85.37 C +ATOM 299 C THR A 38 31.378 -17.522 3.829 1.00 85.19 C +ATOM 300 O THR A 38 32.428 -18.132 4.095 1.00 82.35 O +ATOM 301 CB THR A 38 31.961 -15.102 3.767 1.00 83.14 C +ATOM 302 OG1 THR A 38 30.961 -14.617 4.630 1.00 78.17 O +ATOM 303 CG2 THR A 38 32.378 -13.932 2.885 1.00 78.64 C +ATOM 304 N ASN A 39 30.202 -17.946 4.196 1.00 82.21 N +ATOM 305 CA ASN A 39 29.932 -19.142 5.006 1.00 81.82 C +ATOM 306 C ASN A 39 30.582 -19.067 6.419 1.00 82.01 C +ATOM 307 O ASN A 39 30.917 -20.089 6.980 1.00 78.80 O +ATOM 308 CB ASN A 39 30.244 -20.389 4.204 1.00 79.03 C +ATOM 309 CG ASN A 39 29.171 -21.429 4.149 1.00 76.91 C +ATOM 310 OD1 ASN A 39 28.143 -21.369 4.788 1.00 68.81 O +ATOM 311 ND2 ASN A 39 29.410 -22.459 3.356 1.00 68.30 N +ATOM 312 N ASP A 40 30.703 -17.857 6.927 1.00 81.36 N +ATOM 313 CA ASP A 40 31.290 -17.545 8.217 1.00 80.77 C +ATOM 314 C ASP A 40 30.286 -17.177 9.304 1.00 81.21 C +ATOM 315 O ASP A 40 30.654 -16.881 10.443 1.00 77.46 O +ATOM 316 CB ASP A 40 32.356 -16.455 8.037 1.00 78.69 C +ATOM 317 CG ASP A 40 31.780 -15.112 7.580 1.00 78.79 C +ATOM 318 OD1 ASP A 40 30.541 -14.970 7.494 1.00 72.47 O +ATOM 319 OD2 ASP A 40 32.586 -14.188 7.307 1.00 73.22 O +ATOM 320 N GLY A 41 29.010 -17.219 8.998 1.00 79.87 N +ATOM 321 CA GLY A 41 27.923 -16.874 9.908 1.00 79.85 C +ATOM 322 C GLY A 41 27.602 -15.372 9.964 1.00 81.56 C +ATOM 323 O GLY A 41 26.716 -15.007 10.735 1.00 78.72 O +ATOM 324 N THR A 42 28.248 -14.538 9.173 1.00 83.62 N +ATOM 325 CA THR A 42 27.997 -13.090 9.104 1.00 83.63 C +ATOM 326 C THR A 42 26.969 -12.701 8.023 1.00 84.25 C +ATOM 327 O THR A 42 26.908 -11.552 7.607 1.00 80.76 O +ATOM 328 CB THR A 42 29.290 -12.302 8.940 1.00 81.43 C +ATOM 329 OG1 THR A 42 29.873 -12.555 7.695 1.00 77.11 O +ATOM 330 CG2 THR A 42 30.309 -12.597 10.016 1.00 76.90 C +ATOM 331 N GLY A 43 26.241 -13.661 7.527 1.00 87.29 N +ATOM 332 CA GLY A 43 25.301 -13.468 6.427 1.00 87.57 C +ATOM 333 C GLY A 43 24.218 -12.437 6.665 1.00 88.59 C +ATOM 334 O GLY A 43 23.785 -12.171 7.795 1.00 86.65 O +ATOM 335 N GLU A 44 23.734 -11.862 5.575 1.00 90.66 N +ATOM 336 CA GLU A 44 22.703 -10.866 5.574 1.00 91.17 C +ATOM 337 C GLU A 44 21.308 -11.507 5.607 1.00 92.10 C +ATOM 338 O GLU A 44 21.018 -12.432 4.850 1.00 90.39 O +ATOM 339 CB GLU A 44 22.873 -9.983 4.335 1.00 88.93 C +ATOM 340 CG GLU A 44 21.862 -8.851 4.296 1.00 77.98 C +ATOM 341 CD GLU A 44 21.948 -7.961 3.059 1.00 73.70 C +ATOM 342 OE1 GLU A 44 21.147 -6.995 3.004 1.00 63.56 O +ATOM 343 OE2 GLU A 44 22.743 -8.205 2.145 1.00 60.14 O +ATOM 344 N MET A 45 20.398 -10.962 6.411 1.00 94.03 N +ATOM 345 CA MET A 45 19.001 -11.366 6.369 1.00 94.24 C +ATOM 346 C MET A 45 18.306 -10.767 5.150 1.00 94.69 C +ATOM 347 O MET A 45 18.341 -9.568 4.924 1.00 93.91 O +ATOM 348 CB MET A 45 18.288 -10.961 7.665 1.00 93.28 C +ATOM 349 CG MET A 45 18.859 -11.671 8.888 1.00 89.56 C +ATOM 350 SD MET A 45 18.695 -13.460 8.816 1.00 88.37 S +ATOM 351 CE MET A 45 20.200 -13.922 9.688 1.00 81.23 C +ATOM 352 N VAL A 46 17.632 -11.595 4.393 1.00 95.16 N +ATOM 353 CA VAL A 46 16.877 -11.196 3.199 1.00 95.24 C +ATOM 354 C VAL A 46 15.499 -11.834 3.182 1.00 95.31 C +ATOM 355 O VAL A 46 15.301 -12.950 3.656 1.00 95.02 O +ATOM 356 CB VAL A 46 17.646 -11.504 1.902 1.00 95.12 C +ATOM 357 CG1 VAL A 46 18.951 -10.715 1.812 1.00 94.70 C +ATOM 358 CG2 VAL A 46 17.965 -12.982 1.729 1.00 94.65 C +ATOM 359 N ALA A 47 14.551 -11.147 2.594 1.00 95.10 N +ATOM 360 CA ALA A 47 13.251 -11.718 2.287 1.00 94.96 C +ATOM 361 C ALA A 47 13.271 -12.235 0.842 1.00 95.02 C +ATOM 362 O ALA A 47 13.575 -11.504 -0.091 1.00 94.83 O +ATOM 363 CB ALA A 47 12.168 -10.670 2.535 1.00 94.83 C +ATOM 364 N VAL A 48 12.920 -13.471 0.653 1.00 94.77 N +ATOM 365 CA VAL A 48 12.901 -14.119 -0.660 1.00 94.73 C +ATOM 366 C VAL A 48 11.470 -14.493 -1.012 1.00 94.52 C +ATOM 367 O VAL A 48 10.848 -15.291 -0.316 1.00 94.17 O +ATOM 368 CB VAL A 48 13.823 -15.338 -0.703 1.00 94.69 C +ATOM 369 CG1 VAL A 48 15.269 -14.970 -0.323 1.00 94.25 C +ATOM 370 CG2 VAL A 48 13.848 -15.952 -2.105 1.00 94.29 C +ATOM 371 N LYS A 49 10.964 -13.920 -2.090 1.00 92.52 N +ATOM 372 CA LYS A 49 9.671 -14.279 -2.659 1.00 92.31 C +ATOM 373 C LYS A 49 9.860 -15.241 -3.823 1.00 92.15 C +ATOM 374 O LYS A 49 10.594 -14.956 -4.766 1.00 91.63 O +ATOM 375 CB LYS A 49 8.891 -13.013 -3.044 1.00 91.86 C +ATOM 376 CG LYS A 49 7.423 -13.284 -3.411 1.00 90.80 C +ATOM 377 CD LYS A 49 6.681 -11.948 -3.651 1.00 89.51 C +ATOM 378 CE LYS A 49 5.195 -12.160 -3.941 1.00 87.46 C +ATOM 379 NZ LYS A 49 4.490 -10.879 -4.222 1.00 83.99 N1+ +ATOM 380 N ALA A 50 9.223 -16.390 -3.728 1.00 91.42 N +ATOM 381 CA ALA A 50 9.275 -17.441 -4.721 1.00 91.13 C +ATOM 382 C ALA A 50 7.894 -17.654 -5.356 1.00 90.96 C +ATOM 383 O ALA A 50 6.886 -17.732 -4.641 1.00 89.52 O +ATOM 384 CB ALA A 50 9.790 -18.724 -4.060 1.00 90.14 C +ATOM 385 N LEU A 51 7.849 -17.768 -6.660 1.00 83.24 N +ATOM 386 CA LEU A 51 6.643 -18.159 -7.372 1.00 83.24 C +ATOM 387 C LEU A 51 6.317 -19.618 -7.073 1.00 82.41 C +ATOM 388 O LEU A 51 7.206 -20.457 -7.025 1.00 80.72 O +ATOM 389 CB LEU A 51 6.871 -17.927 -8.883 1.00 81.95 C +ATOM 390 CG LEU A 51 5.624 -18.156 -9.758 1.00 79.60 C +ATOM 391 CD1 LEU A 51 6.003 -18.102 -11.233 1.00 78.53 C +ATOM 392 CD2 LEU A 51 4.558 -17.100 -9.491 1.00 77.77 C +ATOM 393 N LYS A 52 5.042 -19.944 -6.922 1.00 80.19 N +ATOM 394 CA LYS A 52 4.581 -21.330 -6.742 1.00 79.10 C +ATOM 395 C LYS A 52 4.968 -22.180 -7.955 1.00 78.79 C +ATOM 396 O LYS A 52 4.862 -21.742 -9.089 1.00 76.41 O +ATOM 397 CB LYS A 52 3.076 -21.362 -6.476 1.00 76.04 C +ATOM 398 CG LYS A 52 2.720 -20.663 -5.155 1.00 71.38 C +ATOM 399 CD LYS A 52 1.209 -20.730 -4.887 1.00 67.09 C +ATOM 400 CE LYS A 52 0.919 -20.014 -3.566 1.00 60.20 C +ATOM 401 NZ LYS A 52 -0.522 -20.060 -3.196 1.00 55.03 N1+ +ATOM 402 N ALA A 53 5.382 -23.394 -7.732 1.00 80.15 N +ATOM 403 CA ALA A 53 5.893 -24.280 -8.775 1.00 79.68 C +ATOM 404 C ALA A 53 4.854 -24.642 -9.838 1.00 79.66 C +ATOM 405 O ALA A 53 5.200 -24.806 -11.011 1.00 76.81 O +ATOM 406 CB ALA A 53 6.464 -25.525 -8.085 1.00 77.87 C +ATOM 407 N ASP A 54 3.631 -24.730 -9.457 1.00 78.98 N +ATOM 408 CA ASP A 54 2.471 -25.044 -10.293 1.00 79.11 C +ATOM 409 C ASP A 54 1.837 -23.805 -10.949 1.00 80.02 C +ATOM 410 O ASP A 54 0.805 -23.905 -11.604 1.00 76.83 O +ATOM 411 CB ASP A 54 1.448 -25.826 -9.443 1.00 76.74 C +ATOM 412 CG ASP A 54 0.899 -25.035 -8.243 1.00 75.94 C +ATOM 413 OD1 ASP A 54 1.601 -24.129 -7.748 1.00 67.52 O +ATOM 414 OD2 ASP A 54 -0.216 -25.377 -7.785 1.00 67.95 O +ATOM 415 N ALA A 55 2.431 -22.635 -10.804 1.00 79.30 N +ATOM 416 CA ALA A 55 1.923 -21.415 -11.379 1.00 80.32 C +ATOM 417 C ALA A 55 1.886 -21.482 -12.921 1.00 81.03 C +ATOM 418 O ALA A 55 2.866 -21.772 -13.595 1.00 77.15 O +ATOM 419 CB ALA A 55 2.776 -20.248 -10.906 1.00 77.17 C +ATOM 420 N GLY A 56 0.718 -21.158 -13.456 1.00 78.33 N +ATOM 421 CA GLY A 56 0.501 -21.117 -14.884 1.00 78.42 C +ATOM 422 C GLY A 56 1.246 -19.990 -15.600 1.00 79.84 C +ATOM 423 O GLY A 56 1.788 -19.095 -14.962 1.00 78.63 O +ATOM 424 N PRO A 57 1.225 -19.979 -16.926 1.00 82.38 N +ATOM 425 CA PRO A 57 1.949 -18.999 -17.736 1.00 82.34 C +ATOM 426 C PRO A 57 1.587 -17.552 -17.425 1.00 83.34 C +ATOM 427 O PRO A 57 2.462 -16.682 -17.403 1.00 82.30 O +ATOM 428 CB PRO A 57 1.602 -19.346 -19.194 1.00 80.19 C +ATOM 429 CG PRO A 57 1.281 -20.835 -19.135 1.00 80.15 C +ATOM 430 CD PRO A 57 0.631 -20.993 -17.772 1.00 82.82 C +ATOM 431 N GLN A 58 0.351 -17.311 -17.101 1.00 81.63 N +ATOM 432 CA GLN A 58 -0.162 -15.974 -16.747 1.00 82.09 C +ATOM 433 C GLN A 58 0.455 -15.452 -15.440 1.00 82.46 C +ATOM 434 O GLN A 58 0.921 -14.315 -15.387 1.00 79.96 O +ATOM 435 CB GLN A 58 -1.667 -16.079 -16.678 1.00 79.58 C +ATOM 436 CG GLN A 58 -2.352 -14.731 -16.890 1.00 75.18 C +ATOM 437 CD GLN A 58 -3.880 -14.928 -16.892 1.00 70.86 C +ATOM 438 OE1 GLN A 58 -4.401 -15.850 -16.325 1.00 60.49 O +ATOM 439 NE2 GLN A 58 -4.591 -14.057 -17.518 1.00 58.86 N +ATOM 440 N HIS A 59 0.555 -16.294 -14.439 1.00 82.92 N +ATOM 441 CA HIS A 59 1.226 -15.976 -13.191 1.00 83.65 C +ATOM 442 C HIS A 59 2.724 -15.782 -13.378 1.00 84.36 C +ATOM 443 O HIS A 59 3.290 -14.893 -12.761 1.00 82.74 O +ATOM 444 CB HIS A 59 0.947 -17.051 -12.156 1.00 81.89 C +ATOM 445 CG HIS A 59 -0.469 -17.085 -11.685 1.00 81.85 C +ATOM 446 ND1 HIS A 59 -1.201 -15.991 -11.257 1.00 71.10 N1+ +ATOM 447 CD2 HIS A 59 -1.289 -18.184 -11.607 1.00 71.85 C +ATOM 448 CE1 HIS A 59 -2.418 -16.412 -10.907 1.00 71.03 C +ATOM 449 NE2 HIS A 59 -2.511 -17.735 -11.111 1.00 72.65 N +ATOM 450 N ARG A 60 3.352 -16.514 -14.243 1.00 82.11 N +ATOM 451 CA ARG A 60 4.763 -16.331 -14.586 1.00 82.67 C +ATOM 452 C ARG A 60 5.024 -15.002 -15.267 1.00 83.29 C +ATOM 453 O ARG A 60 6.041 -14.359 -14.983 1.00 83.44 O +ATOM 454 CB ARG A 60 5.255 -17.475 -15.468 1.00 82.03 C +ATOM 455 CG ARG A 60 5.277 -18.803 -14.718 1.00 79.33 C +ATOM 456 CD ARG A 60 5.726 -19.951 -15.615 1.00 80.21 C +ATOM 457 NE ARG A 60 5.723 -21.226 -14.900 1.00 76.16 N +ATOM 458 CZ ARG A 60 6.712 -21.708 -14.154 1.00 71.30 C +ATOM 459 NH1 ARG A 60 7.848 -21.078 -14.011 1.00 66.94 N +ATOM 460 NH2 ARG A 60 6.548 -22.819 -13.527 1.00 68.49 N1+ +ATOM 461 N SER A 61 4.138 -14.576 -16.121 1.00 82.34 N +ATOM 462 CA SER A 61 4.223 -13.258 -16.762 1.00 81.87 C +ATOM 463 C SER A 61 4.042 -12.135 -15.724 1.00 82.63 C +ATOM 464 O SER A 61 4.875 -11.237 -15.652 1.00 79.67 O +ATOM 465 CB SER A 61 3.181 -13.139 -17.867 1.00 79.04 C +ATOM 466 OG SER A 61 3.366 -11.930 -18.582 1.00 71.09 O +ATOM 467 N GLY A 62 3.040 -12.231 -14.881 1.00 84.21 N +ATOM 468 CA GLY A 62 2.833 -11.292 -13.787 1.00 84.53 C +ATOM 469 C GLY A 62 4.003 -11.238 -12.811 1.00 85.90 C +ATOM 470 O GLY A 62 4.391 -10.164 -12.382 1.00 83.96 O +ATOM 471 N TRP A 63 4.612 -12.373 -12.552 1.00 88.42 N +ATOM 472 CA TRP A 63 5.793 -12.483 -11.693 1.00 89.63 C +ATOM 473 C TRP A 63 7.007 -11.745 -12.255 1.00 90.71 C +ATOM 474 O TRP A 63 7.673 -10.997 -11.524 1.00 90.95 O +ATOM 475 CB TRP A 63 6.117 -13.952 -11.485 1.00 89.21 C +ATOM 476 CG TRP A 63 7.315 -14.216 -10.642 1.00 89.98 C +ATOM 477 CD1 TRP A 63 8.371 -14.984 -10.973 1.00 87.36 C +ATOM 478 CD2 TRP A 63 7.585 -13.682 -9.304 1.00 88.62 C +ATOM 479 NE1 TRP A 63 9.277 -14.982 -9.911 1.00 85.73 N +ATOM 480 CE2 TRP A 63 8.836 -14.190 -8.888 1.00 87.25 C +ATOM 481 CE3 TRP A 63 6.886 -12.820 -8.438 1.00 86.48 C +ATOM 482 CZ2 TRP A 63 9.365 -13.868 -7.615 1.00 83.94 C +ATOM 483 CZ3 TRP A 63 7.425 -12.493 -7.188 1.00 78.73 C +ATOM 484 CH2 TRP A 63 8.666 -13.021 -6.785 1.00 79.05 C +ATOM 485 N LYS A 64 7.285 -11.894 -13.517 1.00 88.05 N +ATOM 486 CA LYS A 64 8.356 -11.144 -14.197 1.00 88.18 C +ATOM 487 C LYS A 64 8.101 -9.642 -14.128 1.00 88.89 C +ATOM 488 O LYS A 64 9.009 -8.902 -13.810 1.00 87.07 O +ATOM 489 CB LYS A 64 8.527 -11.582 -15.649 1.00 85.80 C +ATOM 490 CG LYS A 64 9.288 -12.901 -15.760 1.00 76.40 C +ATOM 491 CD LYS A 64 9.533 -13.219 -17.248 1.00 71.75 C +ATOM 492 CE LYS A 64 10.375 -14.474 -17.382 1.00 63.56 C +ATOM 493 NZ LYS A 64 10.690 -14.763 -18.812 1.00 55.73 N1+ +ATOM 494 N GLN A 65 6.874 -9.220 -14.345 1.00 89.67 N +ATOM 495 CA GLN A 65 6.507 -7.812 -14.232 1.00 90.19 C +ATOM 496 C GLN A 65 6.707 -7.275 -12.828 1.00 91.18 C +ATOM 497 O GLN A 65 7.215 -6.172 -12.684 1.00 90.70 O +ATOM 498 CB GLN A 65 5.058 -7.592 -14.667 1.00 88.60 C +ATOM 499 CG GLN A 65 4.872 -7.777 -16.180 1.00 81.18 C +ATOM 500 CD GLN A 65 3.415 -7.571 -16.625 1.00 78.73 C +ATOM 501 OE1 GLN A 65 2.479 -7.556 -15.862 1.00 68.58 O +ATOM 502 NE2 GLN A 65 3.207 -7.408 -17.914 1.00 67.86 N +ATOM 503 N GLU A 66 6.371 -8.019 -11.802 1.00 90.78 N +ATOM 504 CA GLU A 66 6.611 -7.620 -10.401 1.00 91.29 C +ATOM 505 C GLU A 66 8.103 -7.398 -10.145 1.00 91.74 C +ATOM 506 O GLU A 66 8.481 -6.374 -9.565 1.00 90.18 O +ATOM 507 CB GLU A 66 6.031 -8.664 -9.447 1.00 89.43 C +ATOM 508 CG GLU A 66 6.263 -8.300 -7.974 1.00 83.09 C +ATOM 509 CD GLU A 66 5.641 -9.259 -6.949 1.00 82.72 C +ATOM 510 OE1 GLU A 66 5.812 -9.030 -5.753 1.00 68.36 O +ATOM 511 OE2 GLU A 66 4.963 -10.239 -7.334 1.00 66.09 O +ATOM 512 N ILE A 67 8.934 -8.299 -10.606 1.00 93.88 N +ATOM 513 CA ILE A 67 10.388 -8.180 -10.471 1.00 94.15 C +ATOM 514 C ILE A 67 10.908 -6.965 -11.232 1.00 94.13 C +ATOM 515 O ILE A 67 11.689 -6.195 -10.678 1.00 93.81 O +ATOM 516 CB ILE A 67 11.085 -9.476 -10.947 1.00 94.09 C +ATOM 517 CG1 ILE A 67 10.739 -10.636 -9.998 1.00 93.42 C +ATOM 518 CG2 ILE A 67 12.605 -9.294 -11.016 1.00 93.39 C +ATOM 519 CD1 ILE A 67 11.198 -12.016 -10.500 1.00 91.23 C +ATOM 520 N ASP A 68 10.464 -6.782 -12.456 1.00 93.93 N +ATOM 521 CA ASP A 68 10.912 -5.675 -13.295 1.00 93.83 C +ATOM 522 C ASP A 68 10.502 -4.320 -12.718 1.00 94.09 C +ATOM 523 O ASP A 68 11.328 -3.411 -12.665 1.00 93.18 O +ATOM 524 CB ASP A 68 10.366 -5.852 -14.722 1.00 93.05 C +ATOM 525 CG ASP A 68 11.043 -6.990 -15.500 1.00 90.24 C +ATOM 526 OD1 ASP A 68 12.192 -7.360 -15.156 1.00 85.46 O +ATOM 527 OD2 ASP A 68 10.415 -7.457 -16.475 1.00 83.33 O +ATOM 528 N ILE A 69 9.295 -4.215 -12.207 1.00 94.58 N +ATOM 529 CA ILE A 69 8.830 -3.003 -11.514 1.00 94.66 C +ATOM 530 C ILE A 69 9.714 -2.744 -10.303 1.00 94.77 C +ATOM 531 O ILE A 69 10.366 -1.702 -10.248 1.00 94.50 O +ATOM 532 CB ILE A 69 7.331 -3.097 -11.155 1.00 94.70 C +ATOM 533 CG1 ILE A 69 6.487 -3.010 -12.437 1.00 94.14 C +ATOM 534 CG2 ILE A 69 6.920 -1.977 -10.173 1.00 94.26 C +ATOM 535 CD1 ILE A 69 5.008 -3.406 -12.232 1.00 92.11 C +ATOM 536 N LEU A 70 9.812 -3.676 -9.379 1.00 95.67 N +ATOM 537 CA LEU A 70 10.538 -3.466 -8.128 1.00 95.63 C +ATOM 538 C LEU A 70 12.014 -3.143 -8.363 1.00 95.64 C +ATOM 539 O LEU A 70 12.582 -2.320 -7.644 1.00 95.12 O +ATOM 540 CB LEU A 70 10.352 -4.684 -7.214 1.00 95.30 C +ATOM 541 CG LEU A 70 10.889 -4.458 -5.785 1.00 94.15 C +ATOM 542 CD1 LEU A 70 10.753 -5.734 -4.961 1.00 92.92 C +ATOM 543 CD2 LEU A 70 10.120 -3.356 -5.051 1.00 92.28 C +ATOM 544 N ARG A 71 12.614 -3.701 -9.387 1.00 95.25 N +ATOM 545 CA ARG A 71 13.988 -3.406 -9.800 1.00 95.10 C +ATOM 546 C ARG A 71 14.196 -1.931 -10.142 1.00 95.35 C +ATOM 547 O ARG A 71 15.310 -1.435 -9.960 1.00 94.47 O +ATOM 548 CB ARG A 71 14.342 -4.323 -10.973 1.00 93.93 C +ATOM 549 CG ARG A 71 15.756 -4.130 -11.468 1.00 87.41 C +ATOM 550 CD ARG A 71 16.093 -5.058 -12.659 1.00 83.84 C +ATOM 551 NE ARG A 71 16.336 -6.427 -12.204 1.00 78.90 N +ATOM 552 CZ ARG A 71 16.570 -7.486 -12.960 1.00 75.62 C +ATOM 553 NH1 ARG A 71 16.564 -7.408 -14.253 1.00 69.43 N +ATOM 554 NH2 ARG A 71 16.833 -8.635 -12.442 1.00 68.63 N1+ +ATOM 555 N THR A 72 13.183 -1.260 -10.641 1.00 94.38 N +ATOM 556 CA THR A 72 13.290 0.144 -11.053 1.00 94.02 C +ATOM 557 C THR A 72 13.049 1.141 -9.923 1.00 94.25 C +ATOM 558 O THR A 72 13.316 2.325 -10.091 1.00 92.99 O +ATOM 559 CB THR A 72 12.349 0.473 -12.224 1.00 92.53 C +ATOM 560 OG1 THR A 72 10.989 0.425 -11.862 1.00 85.18 O +ATOM 561 CG2 THR A 72 12.555 -0.434 -13.423 1.00 83.68 C +ATOM 562 N LEU A 73 12.562 0.693 -8.786 1.00 95.36 N +ATOM 563 CA LEU A 73 12.122 1.556 -7.701 1.00 95.36 C +ATOM 564 C LEU A 73 13.214 1.768 -6.650 1.00 95.35 C +ATOM 565 O LEU A 73 13.775 0.820 -6.102 1.00 94.96 O +ATOM 566 CB LEU A 73 10.846 0.971 -7.061 1.00 95.40 C +ATOM 567 CG LEU A 73 9.642 0.827 -8.012 1.00 95.19 C +ATOM 568 CD1 LEU A 73 8.472 0.215 -7.262 1.00 94.82 C +ATOM 569 CD2 LEU A 73 9.206 2.150 -8.625 1.00 94.55 C +ATOM 570 N TYR A 74 13.462 3.028 -6.339 1.00 95.79 N +ATOM 571 CA TYR A 74 14.423 3.443 -5.314 1.00 95.36 C +ATOM 572 C TYR A 74 13.854 4.580 -4.483 1.00 95.56 C +ATOM 573 O TYR A 74 13.958 5.750 -4.834 1.00 94.39 O +ATOM 574 CB TYR A 74 15.752 3.873 -5.965 1.00 93.93 C +ATOM 575 CG TYR A 74 16.488 2.744 -6.645 1.00 87.23 C +ATOM 576 CD1 TYR A 74 17.381 1.941 -5.914 1.00 81.36 C +ATOM 577 CD2 TYR A 74 16.286 2.494 -8.017 1.00 78.14 C +ATOM 578 CE1 TYR A 74 18.063 0.887 -6.541 1.00 72.47 C +ATOM 579 CE2 TYR A 74 16.962 1.440 -8.650 1.00 69.49 C +ATOM 580 CZ TYR A 74 17.842 0.634 -7.911 1.00 67.91 C +ATOM 581 OH TYR A 74 18.494 -0.402 -8.525 1.00 65.86 O +ATOM 582 N HIS A 75 13.252 4.238 -3.375 1.00 96.42 N +ATOM 583 CA HIS A 75 12.698 5.203 -2.444 1.00 96.35 C +ATOM 584 C HIS A 75 12.747 4.650 -1.018 1.00 96.43 C +ATOM 585 O HIS A 75 12.578 3.446 -0.814 1.00 96.12 O +ATOM 586 CB HIS A 75 11.270 5.547 -2.870 1.00 96.22 C +ATOM 587 CG HIS A 75 10.710 6.727 -2.141 1.00 96.06 C +ATOM 588 ND1 HIS A 75 9.948 6.682 -0.997 1.00 94.93 N1+ +ATOM 589 CD2 HIS A 75 10.890 8.045 -2.477 1.00 94.78 C +ATOM 590 CE1 HIS A 75 9.686 7.951 -0.638 1.00 94.43 C +ATOM 591 NE2 HIS A 75 10.238 8.792 -1.511 1.00 94.73 N +ATOM 592 N GLU A 76 12.948 5.504 -0.026 1.00 96.49 N +ATOM 593 CA GLU A 76 13.083 5.072 1.373 1.00 96.29 C +ATOM 594 C GLU A 76 11.828 4.429 1.953 1.00 96.58 C +ATOM 595 O GLU A 76 11.913 3.589 2.839 1.00 96.14 O +ATOM 596 CB GLU A 76 13.563 6.246 2.232 1.00 95.38 C +ATOM 597 CG GLU A 76 12.557 7.401 2.310 1.00 89.63 C +ATOM 598 CD GLU A 76 13.087 8.585 3.120 1.00 85.26 C +ATOM 599 OE1 GLU A 76 12.799 9.736 2.729 1.00 71.38 O +ATOM 600 OE2 GLU A 76 13.781 8.339 4.133 1.00 67.99 O +ATOM 601 N HIS A 77 10.674 4.749 1.398 1.00 96.74 N +ATOM 602 CA HIS A 77 9.380 4.181 1.787 1.00 96.83 C +ATOM 603 C HIS A 77 8.872 3.073 0.849 1.00 96.98 C +ATOM 604 O HIS A 77 7.693 2.721 0.875 1.00 96.81 O +ATOM 605 CB HIS A 77 8.360 5.305 1.964 1.00 96.71 C +ATOM 606 CG HIS A 77 8.792 6.317 2.975 1.00 96.57 C +ATOM 607 ND1 HIS A 77 9.280 6.030 4.235 1.00 95.81 N1+ +ATOM 608 CD2 HIS A 77 8.834 7.669 2.809 1.00 95.55 C +ATOM 609 CE1 HIS A 77 9.625 7.197 4.813 1.00 95.05 C +ATOM 610 NE2 HIS A 77 9.353 8.205 3.969 1.00 95.29 N +ATOM 611 N ILE A 78 9.730 2.511 0.038 1.00 96.85 N +ATOM 612 CA ILE A 78 9.450 1.318 -0.769 1.00 96.80 C +ATOM 613 C ILE A 78 10.453 0.225 -0.400 1.00 96.82 C +ATOM 614 O ILE A 78 11.642 0.491 -0.223 1.00 96.53 O +ATOM 615 CB ILE A 78 9.453 1.662 -2.273 1.00 96.63 C +ATOM 616 CG1 ILE A 78 8.250 2.586 -2.575 1.00 95.90 C +ATOM 617 CG2 ILE A 78 9.392 0.398 -3.151 1.00 95.66 C +ATOM 618 CD1 ILE A 78 8.147 3.052 -4.026 1.00 93.69 C +ATOM 619 N ILE A 79 9.981 -1.003 -0.312 1.00 96.45 N +ATOM 620 CA ILE A 79 10.855 -2.145 -0.038 1.00 96.37 C +ATOM 621 C ILE A 79 11.959 -2.224 -1.086 1.00 96.54 C +ATOM 622 O ILE A 79 11.728 -2.125 -2.289 1.00 96.11 O +ATOM 623 CB ILE A 79 10.049 -3.443 0.080 1.00 95.77 C +ATOM 624 CG1 ILE A 79 10.926 -4.549 0.663 1.00 91.61 C +ATOM 625 CG2 ILE A 79 9.417 -3.872 -1.260 1.00 90.48 C +ATOM 626 CD1 ILE A 79 10.157 -5.801 1.075 1.00 84.71 C +ATOM 627 N LYS A 80 13.174 -2.398 -0.630 1.00 95.95 N +ATOM 628 CA LYS A 80 14.344 -2.384 -1.502 1.00 95.75 C +ATOM 629 C LYS A 80 14.503 -3.708 -2.243 1.00 96.07 C +ATOM 630 O LYS A 80 14.643 -4.765 -1.622 1.00 95.65 O +ATOM 631 CB LYS A 80 15.581 -2.013 -0.677 1.00 94.81 C +ATOM 632 CG LYS A 80 16.830 -1.831 -1.552 1.00 88.62 C +ATOM 633 CD LYS A 80 18.015 -1.382 -0.697 1.00 83.90 C +ATOM 634 CE LYS A 80 19.251 -1.228 -1.579 1.00 76.55 C +ATOM 635 NZ LYS A 80 20.410 -0.709 -0.806 1.00 69.28 N1+ +ATOM 636 N TYR A 81 14.573 -3.632 -3.567 1.00 95.55 N +ATOM 637 CA TYR A 81 15.067 -4.727 -4.388 1.00 95.63 C +ATOM 638 C TYR A 81 16.554 -4.960 -4.110 1.00 95.59 C +ATOM 639 O TYR A 81 17.330 -4.011 -4.065 1.00 95.19 O +ATOM 640 CB TYR A 81 14.859 -4.369 -5.861 1.00 95.59 C +ATOM 641 CG TYR A 81 15.441 -5.376 -6.823 1.00 95.64 C +ATOM 642 CD1 TYR A 81 14.732 -6.542 -7.138 1.00 95.22 C +ATOM 643 CD2 TYR A 81 16.702 -5.150 -7.402 1.00 95.26 C +ATOM 644 CE1 TYR A 81 15.255 -7.472 -8.053 1.00 94.76 C +ATOM 645 CE2 TYR A 81 17.244 -6.075 -8.317 1.00 94.74 C +ATOM 646 CZ TYR A 81 16.508 -7.228 -8.639 1.00 94.88 C +ATOM 647 OH TYR A 81 17.014 -8.125 -9.547 1.00 94.11 O +ATOM 648 N LYS A 82 16.929 -6.197 -3.933 1.00 95.60 N +ATOM 649 CA LYS A 82 18.331 -6.601 -3.777 1.00 95.25 C +ATOM 650 C LYS A 82 18.860 -7.402 -4.958 1.00 95.35 C +ATOM 651 O LYS A 82 20.025 -7.264 -5.310 1.00 94.39 O +ATOM 652 CB LYS A 82 18.519 -7.380 -2.483 1.00 94.26 C +ATOM 653 CG LYS A 82 18.378 -6.462 -1.270 1.00 89.72 C +ATOM 654 CD LYS A 82 18.926 -7.126 -0.035 1.00 86.84 C +ATOM 655 CE LYS A 82 19.148 -6.075 1.032 1.00 82.25 C +ATOM 656 NZ LYS A 82 20.354 -6.357 1.821 1.00 77.06 N1+ +ATOM 657 N GLY A 83 18.028 -8.203 -5.550 1.00 95.04 N +ATOM 658 CA GLY A 83 18.415 -9.016 -6.700 1.00 94.88 C +ATOM 659 C GLY A 83 17.472 -10.174 -6.929 1.00 95.10 C +ATOM 660 O GLY A 83 16.354 -10.244 -6.424 1.00 94.61 O +ATOM 661 N CYS A 84 17.958 -11.120 -7.720 1.00 93.14 N +ATOM 662 CA CYS A 84 17.278 -12.371 -8.009 1.00 93.05 C +ATOM 663 C CYS A 84 18.156 -13.580 -7.703 1.00 93.00 C +ATOM 664 O CYS A 84 19.390 -13.510 -7.814 1.00 91.82 O +ATOM 665 CB CYS A 84 16.818 -12.369 -9.463 1.00 92.26 C +ATOM 666 SG CYS A 84 15.443 -11.205 -9.677 1.00 89.72 S +ATOM 667 N CYS A 85 17.541 -14.675 -7.435 1.00 91.60 N +ATOM 668 CA CYS A 85 18.184 -15.975 -7.347 1.00 91.38 C +ATOM 669 C CYS A 85 17.529 -16.907 -8.363 1.00 91.14 C +ATOM 670 O CYS A 85 16.317 -16.932 -8.502 1.00 89.45 O +ATOM 671 CB CYS A 85 18.011 -16.504 -5.915 1.00 89.95 C +ATOM 672 SG CYS A 85 18.838 -18.122 -5.761 1.00 86.03 S +ATOM 673 N GLU A 86 18.333 -17.703 -9.070 1.00 88.51 N +ATOM 674 CA GLU A 86 17.804 -18.752 -9.926 1.00 87.20 C +ATOM 675 C GLU A 86 17.074 -19.810 -9.085 1.00 87.31 C +ATOM 676 O GLU A 86 17.620 -20.336 -8.112 1.00 84.24 O +ATOM 677 CB GLU A 86 18.908 -19.402 -10.759 1.00 84.28 C +ATOM 678 CG GLU A 86 19.437 -18.457 -11.835 1.00 77.95 C +ATOM 679 CD GLU A 86 20.413 -19.163 -12.791 1.00 76.65 C +ATOM 680 OE1 GLU A 86 20.730 -18.561 -13.847 1.00 65.54 O +ATOM 681 OE2 GLU A 86 20.832 -20.313 -12.497 1.00 64.70 O +ATOM 682 N ASP A 87 15.882 -20.148 -9.505 1.00 85.56 N +ATOM 683 CA ASP A 87 15.112 -21.216 -8.919 1.00 85.22 C +ATOM 684 C ASP A 87 14.802 -22.282 -9.957 1.00 85.26 C +ATOM 685 O ASP A 87 13.778 -22.298 -10.622 1.00 82.36 O +ATOM 686 CB ASP A 87 13.861 -20.665 -8.249 1.00 82.98 C +ATOM 687 CG ASP A 87 13.106 -21.737 -7.448 1.00 83.02 C +ATOM 688 OD1 ASP A 87 13.523 -22.918 -7.475 1.00 77.67 O +ATOM 689 OD2 ASP A 87 12.122 -21.384 -6.785 1.00 77.90 O +ATOM 690 N ALA A 88 15.735 -23.214 -10.104 1.00 85.94 N +ATOM 691 CA ALA A 88 15.590 -24.332 -11.030 1.00 85.41 C +ATOM 692 C ALA A 88 14.380 -25.212 -10.690 1.00 85.58 C +ATOM 693 O ALA A 88 13.759 -25.769 -11.590 1.00 81.93 O +ATOM 694 CB ALA A 88 16.900 -25.112 -11.027 1.00 83.36 C +ATOM 695 N GLY A 89 14.032 -25.324 -9.428 1.00 83.75 N +ATOM 696 CA GLY A 89 12.890 -26.118 -8.982 1.00 83.15 C +ATOM 697 C GLY A 89 11.551 -25.588 -9.470 1.00 84.11 C +ATOM 698 O GLY A 89 10.681 -26.377 -9.833 1.00 81.10 O +ATOM 699 N ALA A 90 11.400 -24.278 -9.532 1.00 82.42 N +ATOM 700 CA ALA A 90 10.186 -23.645 -10.060 1.00 82.52 C +ATOM 701 C ALA A 90 10.312 -23.201 -11.531 1.00 83.55 C +ATOM 702 O ALA A 90 9.364 -22.618 -12.059 1.00 79.57 O +ATOM 703 CB ALA A 90 9.817 -22.488 -9.143 1.00 79.38 C +ATOM 704 N ALA A 91 11.435 -23.435 -12.180 1.00 83.09 N +ATOM 705 CA ALA A 91 11.753 -22.933 -13.513 1.00 83.50 C +ATOM 706 C ALA A 91 11.507 -21.399 -13.634 1.00 85.18 C +ATOM 707 O ALA A 91 10.980 -20.920 -14.636 1.00 82.84 O +ATOM 708 CB ALA A 91 11.036 -23.758 -14.567 1.00 80.72 C +ATOM 709 N SER A 92 11.867 -20.664 -12.600 1.00 85.96 N +ATOM 710 CA SER A 92 11.667 -19.219 -12.495 1.00 86.42 C +ATOM 711 C SER A 92 12.764 -18.589 -11.643 1.00 87.61 C +ATOM 712 O SER A 92 13.649 -19.256 -11.122 1.00 86.37 O +ATOM 713 CB SER A 92 10.280 -18.945 -11.903 1.00 83.82 C +ATOM 714 OG SER A 92 10.166 -19.329 -10.556 1.00 76.99 O +ATOM 715 N LEU A 93 12.714 -17.271 -11.497 1.00 89.62 N +ATOM 716 CA LEU A 93 13.552 -16.528 -10.573 1.00 90.50 C +ATOM 717 C LEU A 93 12.842 -16.358 -9.230 1.00 91.10 C +ATOM 718 O LEU A 93 11.627 -16.141 -9.168 1.00 89.94 O +ATOM 719 CB LEU A 93 13.950 -15.186 -11.193 1.00 88.90 C +ATOM 720 CG LEU A 93 14.757 -15.288 -12.483 1.00 83.67 C +ATOM 721 CD1 LEU A 93 15.034 -13.881 -13.031 1.00 80.17 C +ATOM 722 CD2 LEU A 93 16.111 -15.956 -12.256 1.00 78.97 C +ATOM 723 N GLN A 94 13.606 -16.368 -8.176 1.00 92.87 N +ATOM 724 CA GLN A 94 13.198 -15.894 -6.860 1.00 92.95 C +ATOM 725 C GLN A 94 13.593 -14.429 -6.720 1.00 93.35 C +ATOM 726 O GLN A 94 14.709 -14.046 -7.051 1.00 92.76 O +ATOM 727 CB GLN A 94 13.845 -16.740 -5.761 1.00 92.40 C +ATOM 728 CG GLN A 94 13.423 -18.199 -5.835 1.00 90.57 C +ATOM 729 CD GLN A 94 14.036 -19.026 -4.715 1.00 89.58 C +ATOM 730 OE1 GLN A 94 15.244 -19.128 -4.565 1.00 83.90 O +ATOM 731 NE2 GLN A 94 13.220 -19.666 -3.903 1.00 81.34 N +ATOM 732 N LEU A 95 12.691 -13.621 -6.206 1.00 94.23 N +ATOM 733 CA LEU A 95 12.927 -12.207 -5.920 1.00 94.41 C +ATOM 734 C LEU A 95 13.534 -12.066 -4.536 1.00 94.54 C +ATOM 735 O LEU A 95 12.930 -12.483 -3.551 1.00 94.24 O +ATOM 736 CB LEU A 95 11.592 -11.461 -6.058 1.00 94.22 C +ATOM 737 CG LEU A 95 11.604 -10.003 -5.574 1.00 93.36 C +ATOM 738 CD1 LEU A 95 10.208 -9.413 -5.734 1.00 92.35 C +ATOM 739 CD2 LEU A 95 12.575 -9.131 -6.363 1.00 92.07 C +ATOM 740 N VAL A 96 14.694 -11.457 -4.448 1.00 95.76 N +ATOM 741 CA VAL A 96 15.376 -11.159 -3.191 1.00 95.81 C +ATOM 742 C VAL A 96 15.194 -9.679 -2.853 1.00 95.80 C +ATOM 743 O VAL A 96 15.544 -8.807 -3.633 1.00 95.47 O +ATOM 744 CB VAL A 96 16.860 -11.554 -3.236 1.00 95.72 C +ATOM 745 CG1 VAL A 96 17.040 -13.001 -3.693 1.00 95.21 C +ATOM 746 CG2 VAL A 96 17.502 -11.411 -1.849 1.00 95.13 C +ATOM 747 N MET A 97 14.660 -9.413 -1.682 1.00 95.96 N +ATOM 748 CA MET A 97 14.371 -8.088 -1.169 1.00 95.85 C +ATOM 749 C MET A 97 15.042 -7.895 0.197 1.00 95.96 C +ATOM 750 O MET A 97 15.410 -8.879 0.853 1.00 95.54 O +ATOM 751 CB MET A 97 12.849 -7.910 -1.019 1.00 95.21 C +ATOM 752 CG MET A 97 12.073 -8.187 -2.298 1.00 91.87 C +ATOM 753 SD MET A 97 10.269 -8.223 -2.101 1.00 89.66 S +ATOM 754 CE MET A 97 10.066 -9.743 -1.176 1.00 79.35 C +ATOM 755 N GLU A 98 15.122 -6.655 0.657 1.00 95.56 N +ATOM 756 CA GLU A 98 15.498 -6.412 2.048 1.00 95.30 C +ATOM 757 C GLU A 98 14.504 -7.085 2.999 1.00 95.40 C +ATOM 758 O GLU A 98 13.300 -7.134 2.733 1.00 94.76 O +ATOM 759 CB GLU A 98 15.653 -4.915 2.332 1.00 94.56 C +ATOM 760 CG GLU A 98 14.316 -4.146 2.368 1.00 91.73 C +ATOM 761 CD GLU A 98 14.483 -2.643 2.607 1.00 90.45 C +ATOM 762 OE1 GLU A 98 13.795 -1.851 1.950 1.00 77.63 O +ATOM 763 OE2 GLU A 98 15.332 -2.242 3.458 1.00 75.54 O +ATOM 764 N TYR A 99 15.007 -7.575 4.093 1.00 95.65 N +ATOM 765 CA TYR A 99 14.172 -8.052 5.183 1.00 95.73 C +ATOM 766 C TYR A 99 13.794 -6.884 6.084 1.00 95.72 C +ATOM 767 O TYR A 99 14.666 -6.213 6.634 1.00 95.35 O +ATOM 768 CB TYR A 99 14.932 -9.131 5.958 1.00 95.67 C +ATOM 769 CG TYR A 99 14.230 -9.556 7.225 1.00 95.80 C +ATOM 770 CD1 TYR A 99 12.952 -10.139 7.164 1.00 95.42 C +ATOM 771 CD2 TYR A 99 14.824 -9.337 8.481 1.00 95.20 C +ATOM 772 CE1 TYR A 99 12.290 -10.523 8.347 1.00 94.71 C +ATOM 773 CE2 TYR A 99 14.177 -9.725 9.665 1.00 94.77 C +ATOM 774 CZ TYR A 99 12.913 -10.315 9.593 1.00 94.83 C +ATOM 775 OH TYR A 99 12.271 -10.700 10.750 1.00 94.26 O +ATOM 776 N VAL A 100 12.517 -6.645 6.249 1.00 95.83 N +ATOM 777 CA VAL A 100 11.983 -5.599 7.119 1.00 95.73 C +ATOM 778 C VAL A 100 11.550 -6.222 8.450 1.00 95.78 C +ATOM 779 O VAL A 100 10.621 -7.031 8.471 1.00 95.49 O +ATOM 780 CB VAL A 100 10.859 -4.828 6.427 1.00 95.47 C +ATOM 781 CG1 VAL A 100 11.282 -4.321 5.045 1.00 94.75 C +ATOM 782 CG2 VAL A 100 10.464 -3.612 7.249 1.00 94.65 C +ATOM 783 N PRO A 101 12.212 -5.900 9.561 1.00 95.78 N +ATOM 784 CA PRO A 101 12.205 -6.774 10.735 1.00 95.55 C +ATOM 785 C PRO A 101 10.919 -6.782 11.558 1.00 95.65 C +ATOM 786 O PRO A 101 10.621 -7.792 12.196 1.00 95.04 O +ATOM 787 CB PRO A 101 13.400 -6.310 11.586 1.00 94.92 C +ATOM 788 CG PRO A 101 13.623 -4.871 11.155 1.00 93.61 C +ATOM 789 CD PRO A 101 13.259 -4.902 9.687 1.00 94.46 C +ATOM 790 N LEU A 102 10.137 -5.705 11.529 1.00 96.10 N +ATOM 791 CA LEU A 102 8.927 -5.603 12.363 1.00 96.07 C +ATOM 792 C LEU A 102 7.660 -6.134 11.676 1.00 96.14 C +ATOM 793 O LEU A 102 6.617 -6.202 12.315 1.00 95.64 O +ATOM 794 CB LEU A 102 8.774 -4.161 12.870 1.00 95.84 C +ATOM 795 CG LEU A 102 9.962 -3.620 13.698 1.00 95.28 C +ATOM 796 CD1 LEU A 102 9.644 -2.220 14.235 1.00 94.69 C +ATOM 797 CD2 LEU A 102 10.282 -4.501 14.902 1.00 94.36 C +ATOM 798 N GLY A 103 7.739 -6.554 10.427 1.00 95.68 N +ATOM 799 CA GLY A 103 6.621 -7.119 9.679 1.00 95.51 C +ATOM 800 C GLY A 103 5.592 -6.087 9.241 1.00 95.77 C +ATOM 801 O GLY A 103 5.856 -4.902 9.203 1.00 95.35 O +ATOM 802 N SER A 104 4.411 -6.542 8.861 1.00 95.55 N +ATOM 803 CA SER A 104 3.357 -5.669 8.348 1.00 95.49 C +ATOM 804 C SER A 104 2.704 -4.837 9.442 1.00 95.72 C +ATOM 805 O SER A 104 2.537 -5.297 10.573 1.00 95.39 O +ATOM 806 CB SER A 104 2.305 -6.479 7.584 1.00 94.90 C +ATOM 807 OG SER A 104 1.521 -7.260 8.462 1.00 92.73 O +ATOM 808 N LEU A 105 2.237 -3.650 9.087 1.00 96.07 N +ATOM 809 CA LEU A 105 1.444 -2.825 9.997 1.00 96.01 C +ATOM 810 C LEU A 105 0.197 -3.553 10.496 1.00 96.06 C +ATOM 811 O LEU A 105 -0.144 -3.431 11.667 1.00 95.82 O +ATOM 812 CB LEU A 105 1.045 -1.510 9.315 1.00 95.85 C +ATOM 813 CG LEU A 105 2.194 -0.504 9.137 1.00 95.26 C +ATOM 814 CD1 LEU A 105 1.661 0.754 8.444 1.00 94.77 C +ATOM 815 CD2 LEU A 105 2.791 -0.064 10.475 1.00 94.38 C +ATOM 816 N ARG A 106 -0.426 -4.364 9.657 1.00 96.12 N +ATOM 817 CA ARG A 106 -1.593 -5.174 10.046 1.00 95.94 C +ATOM 818 C ARG A 106 -1.302 -6.114 11.209 1.00 96.03 C +ATOM 819 O ARG A 106 -2.173 -6.306 12.062 1.00 95.62 O +ATOM 820 CB ARG A 106 -2.084 -5.981 8.838 1.00 95.39 C +ATOM 821 CG ARG A 106 -3.412 -6.714 9.151 1.00 92.05 C +ATOM 822 CD ARG A 106 -3.799 -7.679 8.035 1.00 89.41 C +ATOM 823 NE ARG A 106 -2.852 -8.797 7.947 1.00 83.47 N +ATOM 824 CZ ARG A 106 -2.832 -9.733 7.020 1.00 82.23 C +ATOM 825 NH1 ARG A 106 -3.731 -9.798 6.091 1.00 78.05 N +ATOM 826 NH2 ARG A 106 -1.894 -10.645 7.032 1.00 78.76 N1+ +ATOM 827 N ASP A 107 -0.123 -6.686 11.242 1.00 95.37 N +ATOM 828 CA ASP A 107 0.258 -7.640 12.283 1.00 95.25 C +ATOM 829 C ASP A 107 0.913 -6.956 13.477 1.00 95.41 C +ATOM 830 O ASP A 107 0.884 -7.491 14.594 1.00 94.95 O +ATOM 831 CB ASP A 107 1.183 -8.713 11.686 1.00 94.68 C +ATOM 832 CG ASP A 107 0.522 -9.527 10.568 1.00 92.66 C +ATOM 833 OD1 ASP A 107 -0.712 -9.744 10.606 1.00 88.15 O +ATOM 834 OD2 ASP A 107 1.260 -9.918 9.639 1.00 85.18 O +ATOM 835 N TYR A 108 1.491 -5.792 13.258 1.00 96.11 N +ATOM 836 CA TYR A 108 2.185 -5.028 14.292 1.00 96.07 C +ATOM 837 C TYR A 108 1.243 -4.211 15.165 1.00 96.10 C +ATOM 838 O TYR A 108 1.315 -4.291 16.389 1.00 95.80 O +ATOM 839 CB TYR A 108 3.226 -4.130 13.610 1.00 95.92 C +ATOM 840 CG TYR A 108 4.123 -3.404 14.591 1.00 95.69 C +ATOM 841 CD1 TYR A 108 5.330 -3.997 15.008 1.00 95.20 C +ATOM 842 CD2 TYR A 108 3.756 -2.143 15.099 1.00 95.00 C +ATOM 843 CE1 TYR A 108 6.155 -3.349 15.934 1.00 94.39 C +ATOM 844 CE2 TYR A 108 4.580 -1.489 16.031 1.00 94.45 C +ATOM 845 CZ TYR A 108 5.769 -2.090 16.439 1.00 94.34 C +ATOM 846 OH TYR A 108 6.587 -1.453 17.361 1.00 93.79 O +ATOM 847 N LEU A 109 0.348 -3.442 14.558 1.00 95.61 N +ATOM 848 CA LEU A 109 -0.480 -2.454 15.273 1.00 95.55 C +ATOM 849 C LEU A 109 -1.401 -3.058 16.338 1.00 95.47 C +ATOM 850 O LEU A 109 -1.495 -2.468 17.413 1.00 95.15 O +ATOM 851 CB LEU A 109 -1.275 -1.614 14.269 1.00 95.46 C +ATOM 852 CG LEU A 109 -0.426 -0.665 13.397 1.00 95.11 C +ATOM 853 CD1 LEU A 109 -1.339 0.075 12.427 1.00 94.70 C +ATOM 854 CD2 LEU A 109 0.318 0.366 14.236 1.00 94.38 C +ATOM 855 N PRO A 110 -2.013 -4.224 16.152 1.00 94.97 N +ATOM 856 CA PRO A 110 -2.841 -4.847 17.200 1.00 94.78 C +ATOM 857 C PRO A 110 -2.058 -5.252 18.459 1.00 94.78 C +ATOM 858 O PRO A 110 -2.652 -5.517 19.501 1.00 94.16 O +ATOM 859 CB PRO A 110 -3.470 -6.077 16.547 1.00 94.31 C +ATOM 860 CG PRO A 110 -3.465 -5.751 15.060 1.00 93.57 C +ATOM 861 CD PRO A 110 -2.160 -4.976 14.911 1.00 94.30 C +ATOM 862 N ARG A 111 -0.756 -5.321 18.387 1.00 94.31 N +ATOM 863 CA ARG A 111 0.134 -5.788 19.469 1.00 93.91 C +ATOM 864 C ARG A 111 0.926 -4.665 20.133 1.00 93.97 C +ATOM 865 O ARG A 111 1.615 -4.939 21.108 1.00 92.50 O +ATOM 866 CB ARG A 111 1.078 -6.847 18.899 1.00 92.46 C +ATOM 867 CG ARG A 111 0.346 -8.033 18.263 1.00 83.60 C +ATOM 868 CD ARG A 111 1.353 -9.025 17.686 1.00 79.59 C +ATOM 869 NE ARG A 111 0.685 -10.067 16.874 1.00 73.07 N +ATOM 870 CZ ARG A 111 1.278 -11.030 16.199 1.00 67.94 C +ATOM 871 NH1 ARG A 111 2.571 -11.162 16.194 1.00 59.40 N +ATOM 872 NH2 ARG A 111 0.562 -11.851 15.489 1.00 56.98 N1+ +ATOM 873 N HIS A 112 0.853 -3.458 19.597 1.00 93.83 N +ATOM 874 CA HIS A 112 1.665 -2.338 20.051 1.00 93.86 C +ATOM 875 C HIS A 112 0.809 -1.082 20.203 1.00 93.95 C +ATOM 876 O HIS A 112 0.103 -0.699 19.276 1.00 92.98 O +ATOM 877 CB HIS A 112 2.817 -2.108 19.077 1.00 93.45 C +ATOM 878 CG HIS A 112 3.756 -3.274 18.954 1.00 92.78 C +ATOM 879 ND1 HIS A 112 3.561 -4.386 18.137 1.00 89.00 N1+ +ATOM 880 CD2 HIS A 112 4.928 -3.477 19.642 1.00 88.24 C +ATOM 881 CE1 HIS A 112 4.583 -5.220 18.306 1.00 88.12 C +ATOM 882 NE2 HIS A 112 5.433 -4.720 19.213 1.00 89.13 N +ATOM 883 N SER A 113 0.909 -0.415 21.316 1.00 92.66 N +ATOM 884 CA SER A 113 0.177 0.826 21.594 1.00 92.52 C +ATOM 885 C SER A 113 0.860 2.001 20.896 1.00 93.09 C +ATOM 886 O SER A 113 1.639 2.731 21.504 1.00 91.28 O +ATOM 887 CB SER A 113 0.052 1.056 23.082 1.00 89.94 C +ATOM 888 OG SER A 113 -0.650 0.001 23.687 1.00 77.83 O +ATOM 889 N ILE A 114 0.577 2.187 19.617 1.00 94.01 N +ATOM 890 CA ILE A 114 1.105 3.305 18.833 1.00 94.10 C +ATOM 891 C ILE A 114 0.174 4.506 18.948 1.00 94.41 C +ATOM 892 O ILE A 114 -1.024 4.407 18.771 1.00 93.34 O +ATOM 893 CB ILE A 114 1.306 2.871 17.368 1.00 92.71 C +ATOM 894 CG1 ILE A 114 2.203 1.614 17.240 1.00 85.41 C +ATOM 895 CG2 ILE A 114 1.905 4.004 16.528 1.00 81.44 C +ATOM 896 CD1 ILE A 114 3.580 1.723 17.886 1.00 74.41 C +ATOM 897 N GLY A 115 0.736 5.647 19.283 1.00 95.23 N +ATOM 898 CA GLY A 115 -0.002 6.896 19.394 1.00 95.15 C +ATOM 899 C GLY A 115 -0.393 7.503 18.057 1.00 95.56 C +ATOM 900 O GLY A 115 0.208 7.208 17.030 1.00 95.15 O +ATOM 901 N LEU A 116 -1.354 8.403 18.092 1.00 95.50 N +ATOM 902 CA LEU A 116 -1.903 9.066 16.902 1.00 95.60 C +ATOM 903 C LEU A 116 -0.833 9.758 16.071 1.00 95.83 C +ATOM 904 O LEU A 116 -0.813 9.570 14.846 1.00 95.75 O +ATOM 905 CB LEU A 116 -2.971 10.051 17.352 1.00 95.40 C +ATOM 906 CG LEU A 116 -3.588 10.890 16.215 1.00 94.79 C +ATOM 907 CD1 LEU A 116 -4.595 11.859 16.801 1.00 94.17 C +ATOM 908 CD2 LEU A 116 -4.298 10.030 15.179 1.00 93.63 C +ATOM 909 N ALA A 117 0.075 10.490 16.686 1.00 95.90 N +ATOM 910 CA ALA A 117 1.147 11.158 15.973 1.00 95.92 C +ATOM 911 C ALA A 117 2.006 10.181 15.161 1.00 96.14 C +ATOM 912 O ALA A 117 2.337 10.451 14.008 1.00 95.84 O +ATOM 913 CB ALA A 117 2.007 11.918 16.993 1.00 95.39 C +ATOM 914 N GLN A 118 2.297 9.014 15.708 1.00 96.33 N +ATOM 915 CA GLN A 118 3.083 7.993 15.030 1.00 96.22 C +ATOM 916 C GLN A 118 2.321 7.365 13.859 1.00 96.39 C +ATOM 917 O GLN A 118 2.900 7.133 12.805 1.00 96.13 O +ATOM 918 CB GLN A 118 3.481 6.925 16.051 1.00 95.69 C +ATOM 919 CG GLN A 118 4.616 6.024 15.553 1.00 92.63 C +ATOM 920 CD GLN A 118 5.938 6.770 15.380 1.00 91.14 C +ATOM 921 OE1 GLN A 118 6.179 7.815 15.957 1.00 81.38 O +ATOM 922 NE2 GLN A 118 6.825 6.259 14.582 1.00 78.57 N +ATOM 923 N LEU A 119 1.026 7.136 13.995 1.00 96.41 N +ATOM 924 CA LEU A 119 0.174 6.647 12.909 1.00 96.50 C +ATOM 925 C LEU A 119 0.104 7.652 11.760 1.00 96.61 C +ATOM 926 O LEU A 119 0.156 7.270 10.596 1.00 96.42 O +ATOM 927 CB LEU A 119 -1.235 6.356 13.446 1.00 96.44 C +ATOM 928 CG LEU A 119 -1.315 5.244 14.499 1.00 96.06 C +ATOM 929 CD1 LEU A 119 -2.752 5.141 15.007 1.00 95.61 C +ATOM 930 CD2 LEU A 119 -0.922 3.878 13.924 1.00 95.47 C +ATOM 931 N LEU A 120 0.021 8.930 12.080 1.00 96.37 N +ATOM 932 CA LEU A 120 0.031 10.003 11.085 1.00 96.43 C +ATOM 933 C LEU A 120 1.383 10.134 10.379 1.00 96.45 C +ATOM 934 O LEU A 120 1.399 10.391 9.180 1.00 96.23 O +ATOM 935 CB LEU A 120 -0.368 11.318 11.760 1.00 96.37 C +ATOM 936 CG LEU A 120 -1.820 11.345 12.261 1.00 96.07 C +ATOM 937 CD1 LEU A 120 -2.022 12.607 13.101 1.00 95.75 C +ATOM 938 CD2 LEU A 120 -2.835 11.363 11.112 1.00 95.53 C +ATOM 939 N LEU A 121 2.477 9.890 11.086 1.00 96.52 N +ATOM 940 CA LEU A 121 3.801 9.791 10.456 1.00 96.51 C +ATOM 941 C LEU A 121 3.844 8.634 9.453 1.00 96.56 C +ATOM 942 O LEU A 121 4.302 8.825 8.330 1.00 96.36 O +ATOM 943 CB LEU A 121 4.868 9.634 11.552 1.00 96.37 C +ATOM 944 CG LEU A 121 6.299 9.441 10.999 1.00 95.88 C +ATOM 945 CD1 LEU A 121 7.261 9.143 12.166 1.00 95.24 C +ATOM 946 CD2 LEU A 121 6.788 10.700 10.289 1.00 94.62 C +ATOM 947 N PHE A 122 3.338 7.479 9.798 1.00 96.78 N +ATOM 948 CA PHE A 122 3.254 6.351 8.871 1.00 96.82 C +ATOM 949 C PHE A 122 2.378 6.670 7.661 1.00 96.88 C +ATOM 950 O PHE A 122 2.775 6.387 6.534 1.00 96.72 O +ATOM 951 CB PHE A 122 2.723 5.104 9.588 1.00 96.75 C +ATOM 952 CG PHE A 122 3.550 4.584 10.748 1.00 96.73 C +ATOM 953 CD1 PHE A 122 4.922 4.847 10.859 1.00 96.32 C +ATOM 954 CD2 PHE A 122 2.928 3.776 11.723 1.00 96.15 C +ATOM 955 CE1 PHE A 122 5.669 4.320 11.928 1.00 95.65 C +ATOM 956 CE2 PHE A 122 3.670 3.236 12.792 1.00 95.72 C +ATOM 957 CZ PHE A 122 5.040 3.513 12.897 1.00 95.69 C +ATOM 958 N ALA A 123 1.248 7.312 7.883 1.00 96.79 N +ATOM 959 CA ALA A 123 0.374 7.742 6.804 1.00 96.79 C +ATOM 960 C ALA A 123 1.070 8.711 5.840 1.00 96.86 C +ATOM 961 O ALA A 123 0.980 8.539 4.625 1.00 96.69 O +ATOM 962 CB ALA A 123 -0.884 8.353 7.412 1.00 96.65 C +ATOM 963 N GLN A 124 1.804 9.671 6.366 1.00 96.81 N +ATOM 964 CA GLN A 124 2.627 10.586 5.562 1.00 96.79 C +ATOM 965 C GLN A 124 3.660 9.827 4.725 1.00 96.84 C +ATOM 966 O GLN A 124 3.740 10.025 3.517 1.00 96.50 O +ATOM 967 CB GLN A 124 3.303 11.597 6.499 1.00 96.41 C +ATOM 968 CG GLN A 124 4.167 12.604 5.732 1.00 94.91 C +ATOM 969 CD GLN A 124 5.129 13.367 6.642 1.00 93.71 C +ATOM 970 OE1 GLN A 124 4.867 13.623 7.802 1.00 86.71 O +ATOM 971 NE2 GLN A 124 6.265 13.728 6.128 1.00 86.00 N +ATOM 972 N GLN A 125 4.384 8.926 5.331 1.00 96.81 N +ATOM 973 CA GLN A 125 5.413 8.133 4.654 1.00 96.82 C +ATOM 974 C GLN A 125 4.839 7.222 3.565 1.00 96.83 C +ATOM 975 O GLN A 125 5.427 7.076 2.494 1.00 96.60 O +ATOM 976 CB GLN A 125 6.164 7.288 5.687 1.00 96.76 C +ATOM 977 CG GLN A 125 7.043 8.133 6.615 1.00 96.52 C +ATOM 978 CD GLN A 125 7.781 7.280 7.653 1.00 96.31 C +ATOM 979 OE1 GLN A 125 7.701 6.072 7.682 1.00 94.56 O +ATOM 980 NE2 GLN A 125 8.527 7.899 8.527 1.00 93.78 N +ATOM 981 N ILE A 126 3.677 6.644 3.796 1.00 96.81 N +ATOM 982 CA ILE A 126 2.958 5.894 2.760 1.00 96.84 C +ATOM 983 C ILE A 126 2.658 6.811 1.576 1.00 96.82 C +ATOM 984 O ILE A 126 2.925 6.430 0.437 1.00 96.72 O +ATOM 985 CB ILE A 126 1.674 5.251 3.329 1.00 96.93 C +ATOM 986 CG1 ILE A 126 2.016 4.158 4.359 1.00 96.91 C +ATOM 987 CG2 ILE A 126 0.831 4.632 2.198 1.00 96.92 C +ATOM 988 CD1 ILE A 126 0.834 3.755 5.254 1.00 96.64 C +ATOM 989 N CYS A 127 2.177 8.020 1.827 1.00 96.89 N +ATOM 990 CA CYS A 127 1.921 8.976 0.758 1.00 96.83 C +ATOM 991 C CYS A 127 3.192 9.394 0.004 1.00 96.78 C +ATOM 992 O CYS A 127 3.133 9.525 -1.211 1.00 96.52 O +ATOM 993 CB CYS A 127 1.230 10.215 1.332 1.00 96.72 C +ATOM 994 SG CYS A 127 -0.461 9.794 1.802 1.00 96.50 S +ATOM 995 N GLU A 128 4.298 9.541 0.679 1.00 96.98 N +ATOM 996 CA GLU A 128 5.588 9.843 0.050 1.00 96.87 C +ATOM 997 C GLU A 128 6.038 8.711 -0.885 1.00 96.99 C +ATOM 998 O GLU A 128 6.358 8.952 -2.048 1.00 96.65 O +ATOM 999 CB GLU A 128 6.646 10.125 1.133 1.00 96.54 C +ATOM 1000 CG GLU A 128 6.399 11.493 1.816 1.00 94.81 C +ATOM 1001 CD GLU A 128 7.242 11.772 3.072 1.00 93.82 C +ATOM 1002 OE1 GLU A 128 7.085 12.877 3.634 1.00 83.67 O +ATOM 1003 OE2 GLU A 128 8.029 10.910 3.507 1.00 81.79 O +ATOM 1004 N GLY A 129 5.964 7.480 -0.423 1.00 96.89 N +ATOM 1005 CA GLY A 129 6.271 6.322 -1.250 1.00 96.85 C +ATOM 1006 C GLY A 129 5.326 6.154 -2.439 1.00 96.97 C +ATOM 1007 O GLY A 129 5.757 5.847 -3.547 1.00 96.78 O +ATOM 1008 N MET A 130 4.055 6.414 -2.236 1.00 96.63 N +ATOM 1009 CA MET A 130 3.043 6.324 -3.300 1.00 96.69 C +ATOM 1010 C MET A 130 3.141 7.464 -4.317 1.00 96.66 C +ATOM 1011 O MET A 130 2.957 7.211 -5.507 1.00 96.47 O +ATOM 1012 CB MET A 130 1.652 6.293 -2.677 1.00 96.66 C +ATOM 1013 CG MET A 130 1.363 4.962 -1.978 1.00 96.50 C +ATOM 1014 SD MET A 130 1.462 3.457 -2.983 1.00 96.28 S +ATOM 1015 CE MET A 130 0.248 3.807 -4.247 1.00 95.35 C +ATOM 1016 N ALA A 131 3.468 8.670 -3.876 1.00 96.77 N +ATOM 1017 CA ALA A 131 3.730 9.791 -4.774 1.00 96.68 C +ATOM 1018 C ALA A 131 4.920 9.497 -5.693 1.00 96.66 C +ATOM 1019 O ALA A 131 4.835 9.695 -6.903 1.00 96.43 O +ATOM 1020 CB ALA A 131 3.973 11.060 -3.952 1.00 96.57 C +ATOM 1021 N TYR A 132 5.984 8.939 -5.131 1.00 96.70 N +ATOM 1022 CA TYR A 132 7.116 8.466 -5.927 1.00 96.57 C +ATOM 1023 C TYR A 132 6.700 7.382 -6.930 1.00 96.63 C +ATOM 1024 O TYR A 132 7.016 7.487 -8.109 1.00 96.39 O +ATOM 1025 CB TYR A 132 8.210 7.956 -4.996 1.00 96.44 C +ATOM 1026 CG TYR A 132 9.300 7.192 -5.722 1.00 96.25 C +ATOM 1027 CD1 TYR A 132 10.335 7.885 -6.379 1.00 95.82 C +ATOM 1028 CD2 TYR A 132 9.259 5.796 -5.798 1.00 95.64 C +ATOM 1029 CE1 TYR A 132 11.332 7.184 -7.087 1.00 95.04 C +ATOM 1030 CE2 TYR A 132 10.244 5.078 -6.497 1.00 95.24 C +ATOM 1031 CZ TYR A 132 11.280 5.782 -7.139 1.00 95.16 C +ATOM 1032 OH TYR A 132 12.249 5.091 -7.820 1.00 94.23 O +ATOM 1033 N LEU A 133 5.938 6.388 -6.495 1.00 96.51 N +ATOM 1034 CA LEU A 133 5.474 5.310 -7.365 1.00 96.47 C +ATOM 1035 C LEU A 133 4.675 5.843 -8.560 1.00 96.52 C +ATOM 1036 O LEU A 133 4.910 5.439 -9.691 1.00 96.17 O +ATOM 1037 CB LEU A 133 4.649 4.328 -6.527 1.00 96.18 C +ATOM 1038 CG LEU A 133 4.215 3.076 -7.299 1.00 95.06 C +ATOM 1039 CD1 LEU A 133 3.194 2.282 -6.491 1.00 94.26 C +ATOM 1040 CD2 LEU A 133 5.404 2.166 -7.599 1.00 93.45 C +ATOM 1041 N HIS A 134 3.766 6.755 -8.302 1.00 96.34 N +ATOM 1042 CA HIS A 134 2.975 7.405 -9.344 1.00 96.26 C +ATOM 1043 C HIS A 134 3.835 8.263 -10.278 1.00 96.14 C +ATOM 1044 O HIS A 134 3.626 8.234 -11.490 1.00 95.85 O +ATOM 1045 CB HIS A 134 1.879 8.252 -8.690 1.00 96.20 C +ATOM 1046 CG HIS A 134 0.751 7.438 -8.116 1.00 96.25 C +ATOM 1047 ND1 HIS A 134 -0.430 7.985 -7.637 1.00 95.48 N1+ +ATOM 1048 CD2 HIS A 134 0.642 6.074 -8.019 1.00 95.24 C +ATOM 1049 CE1 HIS A 134 -1.239 6.987 -7.269 1.00 94.91 C +ATOM 1050 NE2 HIS A 134 -0.622 5.809 -7.482 1.00 95.11 N +ATOM 1051 N ALA A 135 4.841 8.955 -9.747 1.00 96.48 N +ATOM 1052 CA ALA A 135 5.803 9.693 -10.576 1.00 96.29 C +ATOM 1053 C ALA A 135 6.637 8.773 -11.494 1.00 96.36 C +ATOM 1054 O ALA A 135 7.070 9.197 -12.564 1.00 95.94 O +ATOM 1055 CB ALA A 135 6.704 10.518 -9.658 1.00 95.89 C +ATOM 1056 N GLN A 136 6.795 7.516 -11.125 1.00 96.29 N +ATOM 1057 CA GLN A 136 7.387 6.470 -11.971 1.00 96.23 C +ATOM 1058 C GLN A 136 6.372 5.800 -12.924 1.00 96.38 C +ATOM 1059 O GLN A 136 6.695 4.807 -13.574 1.00 95.92 O +ATOM 1060 CB GLN A 136 8.091 5.422 -11.094 1.00 95.78 C +ATOM 1061 CG GLN A 136 9.226 5.998 -10.225 1.00 94.08 C +ATOM 1062 CD GLN A 136 10.266 6.789 -11.011 1.00 92.29 C +ATOM 1063 OE1 GLN A 136 10.908 6.285 -11.903 1.00 85.96 O +ATOM 1064 NE2 GLN A 136 10.425 8.046 -10.685 1.00 84.39 N +ATOM 1065 N HIS A 137 5.168 6.334 -13.013 1.00 96.15 N +ATOM 1066 CA HIS A 137 4.073 5.828 -13.854 1.00 96.08 C +ATOM 1067 C HIS A 137 3.575 4.412 -13.506 1.00 96.37 C +ATOM 1068 O HIS A 137 3.094 3.680 -14.369 1.00 95.95 O +ATOM 1069 CB HIS A 137 4.406 5.979 -15.327 1.00 95.48 C +ATOM 1070 CG HIS A 137 4.783 7.381 -15.695 1.00 94.30 C +ATOM 1071 ND1 HIS A 137 3.946 8.485 -15.661 1.00 91.10 N1+ +ATOM 1072 CD2 HIS A 137 6.017 7.833 -16.110 1.00 88.02 C +ATOM 1073 CE1 HIS A 137 4.635 9.560 -16.031 1.00 87.12 C +ATOM 1074 NE2 HIS A 137 5.915 9.206 -16.325 1.00 89.49 N +ATOM 1075 N TYR A 138 3.616 4.057 -12.251 1.00 96.17 N +ATOM 1076 CA TYR A 138 3.026 2.810 -11.768 1.00 96.23 C +ATOM 1077 C TYR A 138 1.799 3.063 -10.896 1.00 96.33 C +ATOM 1078 O TYR A 138 1.730 4.028 -10.157 1.00 96.05 O +ATOM 1079 CB TYR A 138 4.068 1.991 -11.013 1.00 96.11 C +ATOM 1080 CG TYR A 138 5.259 1.571 -11.847 1.00 95.92 C +ATOM 1081 CD1 TYR A 138 5.121 0.590 -12.848 1.00 95.41 C +ATOM 1082 CD2 TYR A 138 6.514 2.176 -11.640 1.00 95.24 C +ATOM 1083 CE1 TYR A 138 6.222 0.214 -13.627 1.00 94.69 C +ATOM 1084 CE2 TYR A 138 7.618 1.810 -12.417 1.00 94.73 C +ATOM 1085 CZ TYR A 138 7.474 0.834 -13.412 1.00 94.71 C +ATOM 1086 OH TYR A 138 8.551 0.473 -14.193 1.00 94.16 O +ATOM 1087 N ILE A 139 0.865 2.136 -10.952 1.00 96.10 N +ATOM 1088 CA ILE A 139 -0.257 2.022 -10.010 1.00 96.08 C +ATOM 1089 C ILE A 139 -0.023 0.774 -9.159 1.00 96.21 C +ATOM 1090 O ILE A 139 0.268 -0.292 -9.718 1.00 95.83 O +ATOM 1091 CB ILE A 139 -1.606 1.947 -10.752 1.00 95.48 C +ATOM 1092 CG1 ILE A 139 -1.812 3.170 -11.664 1.00 92.64 C +ATOM 1093 CG2 ILE A 139 -2.761 1.851 -9.745 1.00 91.60 C +ATOM 1094 CD1 ILE A 139 -3.081 3.066 -12.524 1.00 86.30 C +ATOM 1095 N HIS A 140 -0.165 0.879 -7.851 1.00 96.23 N +ATOM 1096 CA HIS A 140 0.089 -0.237 -6.931 1.00 96.20 C +ATOM 1097 C HIS A 140 -1.024 -1.284 -6.963 1.00 96.17 C +ATOM 1098 O HIS A 140 -0.751 -2.483 -6.982 1.00 95.75 O +ATOM 1099 CB HIS A 140 0.301 0.324 -5.519 1.00 96.13 C +ATOM 1100 CG HIS A 140 0.751 -0.724 -4.544 1.00 96.10 C +ATOM 1101 ND1 HIS A 140 -0.049 -1.617 -3.854 1.00 95.08 N1+ +ATOM 1102 CD2 HIS A 140 2.046 -0.993 -4.190 1.00 94.73 C +ATOM 1103 CE1 HIS A 140 0.748 -2.403 -3.106 1.00 94.38 C +ATOM 1104 NE2 HIS A 140 2.021 -2.043 -3.292 1.00 94.74 N +ATOM 1105 N ARG A 141 -2.268 -0.844 -6.940 1.00 96.16 N +ATOM 1106 CA ARG A 141 -3.499 -1.658 -6.987 1.00 96.02 C +ATOM 1107 C ARG A 141 -3.742 -2.574 -5.776 1.00 96.06 C +ATOM 1108 O ARG A 141 -4.732 -3.308 -5.766 1.00 95.54 O +ATOM 1109 CB ARG A 141 -3.581 -2.453 -8.300 1.00 95.47 C +ATOM 1110 CG ARG A 141 -3.581 -1.584 -9.551 1.00 94.02 C +ATOM 1111 CD ARG A 141 -3.503 -2.439 -10.837 1.00 92.67 C +ATOM 1112 NE ARG A 141 -4.567 -3.439 -10.872 1.00 90.13 N +ATOM 1113 CZ ARG A 141 -4.461 -4.740 -11.105 1.00 88.55 C +ATOM 1114 NH1 ARG A 141 -3.330 -5.305 -11.390 1.00 85.91 N +ATOM 1115 NH2 ARG A 141 -5.505 -5.491 -11.064 1.00 86.50 N1+ +ATOM 1116 N ASN A 142 -2.890 -2.560 -4.789 1.00 95.99 N +ATOM 1117 CA ASN A 142 -3.026 -3.399 -3.601 1.00 95.79 C +ATOM 1118 C ASN A 142 -2.527 -2.708 -2.317 1.00 95.95 C +ATOM 1119 O ASN A 142 -2.030 -3.367 -1.396 1.00 95.56 O +ATOM 1120 CB ASN A 142 -2.328 -4.733 -3.869 1.00 95.23 C +ATOM 1121 CG ASN A 142 -2.690 -5.836 -2.885 1.00 93.23 C +ATOM 1122 OD1 ASN A 142 -3.682 -5.798 -2.177 1.00 87.89 O +ATOM 1123 ND2 ASN A 142 -1.900 -6.879 -2.865 1.00 83.97 N +ATOM 1124 N LEU A 143 -2.638 -1.398 -2.253 1.00 96.30 N +ATOM 1125 CA LEU A 143 -2.265 -0.654 -1.060 1.00 96.29 C +ATOM 1126 C LEU A 143 -3.220 -0.993 0.091 1.00 96.25 C +ATOM 1127 O LEU A 143 -4.429 -0.815 -0.019 1.00 95.89 O +ATOM 1128 CB LEU A 143 -2.230 0.844 -1.378 1.00 96.30 C +ATOM 1129 CG LEU A 143 -1.762 1.709 -0.191 1.00 96.07 C +ATOM 1130 CD1 LEU A 143 -1.820 3.184 -0.589 1.00 95.79 C +ATOM 1131 CD2 LEU A 143 -0.333 1.382 0.244 1.00 95.64 C +ATOM 1132 N ALA A 144 -2.677 -1.502 1.169 1.00 95.82 N +ATOM 1133 CA ALA A 144 -3.365 -1.915 2.375 1.00 95.69 C +ATOM 1134 C ALA A 144 -2.352 -2.063 3.516 1.00 95.79 C +ATOM 1135 O ALA A 144 -1.173 -2.316 3.249 1.00 95.49 O +ATOM 1136 CB ALA A 144 -4.060 -3.253 2.108 1.00 95.41 C +ATOM 1137 N ALA A 145 -2.780 -2.026 4.771 1.00 95.98 N +ATOM 1138 CA ALA A 145 -1.881 -2.139 5.925 1.00 95.97 C +ATOM 1139 C ALA A 145 -1.075 -3.449 5.953 1.00 96.06 C +ATOM 1140 O ALA A 145 0.062 -3.462 6.421 1.00 95.78 O +ATOM 1141 CB ALA A 145 -2.718 -1.991 7.194 1.00 95.78 C +ATOM 1142 N ARG A 146 -1.614 -4.530 5.399 1.00 95.67 N +ATOM 1143 CA ARG A 146 -0.890 -5.809 5.231 1.00 95.37 C +ATOM 1144 C ARG A 146 0.318 -5.730 4.303 1.00 95.54 C +ATOM 1145 O ARG A 146 1.187 -6.594 4.397 1.00 94.92 O +ATOM 1146 CB ARG A 146 -1.864 -6.896 4.746 1.00 94.53 C +ATOM 1147 CG ARG A 146 -2.355 -6.651 3.309 1.00 90.11 C +ATOM 1148 CD ARG A 146 -3.279 -7.754 2.799 1.00 87.76 C +ATOM 1149 NE ARG A 146 -3.730 -7.444 1.440 1.00 82.42 N +ATOM 1150 CZ ARG A 146 -4.806 -6.728 1.114 1.00 79.18 C +ATOM 1151 NH1 ARG A 146 -5.658 -6.320 2.009 1.00 71.54 N +ATOM 1152 NH2 ARG A 146 -5.021 -6.419 -0.122 1.00 71.33 N1+ +ATOM 1153 N ASN A 147 0.344 -4.749 3.416 1.00 96.15 N +ATOM 1154 CA ASN A 147 1.396 -4.545 2.419 1.00 96.06 C +ATOM 1155 C ASN A 147 2.307 -3.362 2.761 1.00 96.17 C +ATOM 1156 O ASN A 147 3.157 -2.996 1.954 1.00 95.85 O +ATOM 1157 CB ASN A 147 0.740 -4.388 1.032 1.00 95.84 C +ATOM 1158 CG ASN A 147 0.006 -5.635 0.565 1.00 95.29 C +ATOM 1159 OD1 ASN A 147 0.188 -6.727 1.072 1.00 93.77 O +ATOM 1160 ND2 ASN A 147 -0.839 -5.509 -0.427 1.00 93.11 N +ATOM 1161 N VAL A 148 2.137 -2.771 3.917 1.00 96.49 N +ATOM 1162 CA VAL A 148 3.039 -1.774 4.468 1.00 96.48 C +ATOM 1163 C VAL A 148 3.830 -2.417 5.601 1.00 96.48 C +ATOM 1164 O VAL A 148 3.259 -2.896 6.582 1.00 96.26 O +ATOM 1165 CB VAL A 148 2.288 -0.522 4.930 1.00 96.45 C +ATOM 1166 CG1 VAL A 148 1.464 0.098 3.798 1.00 96.29 C +ATOM 1167 CG2 VAL A 148 3.287 0.536 5.421 1.00 96.36 C +ATOM 1168 N LEU A 149 5.135 -2.453 5.452 1.00 96.79 N +ATOM 1169 CA LEU A 149 6.062 -3.081 6.375 1.00 96.70 C +ATOM 1170 C LEU A 149 6.732 -2.026 7.252 1.00 96.78 C +ATOM 1171 O LEU A 149 7.007 -0.922 6.804 1.00 96.42 O +ATOM 1172 CB LEU A 149 7.102 -3.892 5.588 1.00 96.34 C +ATOM 1173 CG LEU A 149 6.517 -4.938 4.628 1.00 95.21 C +ATOM 1174 CD1 LEU A 149 7.659 -5.594 3.852 1.00 94.14 C +ATOM 1175 CD2 LEU A 149 5.759 -6.040 5.365 1.00 92.81 C +ATOM 1176 N LEU A 150 7.011 -2.373 8.492 1.00 96.31 N +ATOM 1177 CA LEU A 150 7.635 -1.511 9.472 1.00 96.16 C +ATOM 1178 C LEU A 150 9.093 -1.938 9.690 1.00 96.20 C +ATOM 1179 O LEU A 150 9.359 -3.042 10.179 1.00 95.70 O +ATOM 1180 CB LEU A 150 6.776 -1.567 10.747 1.00 95.59 C +ATOM 1181 CG LEU A 150 7.215 -0.592 11.842 1.00 92.95 C +ATOM 1182 CD1 LEU A 150 6.362 -0.822 13.094 1.00 90.93 C +ATOM 1183 CD2 LEU A 150 7.035 0.867 11.446 1.00 88.87 C +ATOM 1184 N ASP A 151 10.007 -1.047 9.348 1.00 95.22 N +ATOM 1185 CA ASP A 151 11.445 -1.295 9.500 1.00 95.00 C +ATOM 1186 C ASP A 151 11.906 -1.016 10.934 1.00 95.05 C +ATOM 1187 O ASP A 151 12.606 -1.818 11.561 1.00 94.25 O +ATOM 1188 CB ASP A 151 12.194 -0.416 8.493 1.00 94.03 C +ATOM 1189 CG ASP A 151 13.673 -0.757 8.378 1.00 90.91 C +ATOM 1190 OD1 ASP A 151 14.014 -1.965 8.456 1.00 86.19 O +ATOM 1191 OD2 ASP A 151 14.464 0.185 8.154 1.00 82.79 O +ATOM 1192 N ASN A 152 11.463 0.105 11.477 1.00 95.03 N +ATOM 1193 CA ASN A 152 11.642 0.503 12.858 1.00 94.87 C +ATOM 1194 C ASN A 152 10.450 1.365 13.302 1.00 94.95 C +ATOM 1195 O ASN A 152 9.521 1.589 12.534 1.00 94.43 O +ATOM 1196 CB ASN A 152 13.002 1.232 12.984 1.00 94.44 C +ATOM 1197 CG ASN A 152 13.101 2.485 12.149 1.00 93.70 C +ATOM 1198 OD1 ASN A 152 12.390 3.460 12.391 1.00 91.48 O +ATOM 1199 ND2 ASN A 152 13.956 2.507 11.163 1.00 90.42 N +ATOM 1200 N ASP A 153 10.474 1.879 14.499 1.00 93.52 N +ATOM 1201 CA ASP A 153 9.378 2.669 15.084 1.00 93.41 C +ATOM 1202 C ASP A 153 9.029 3.964 14.321 1.00 93.77 C +ATOM 1203 O ASP A 153 8.004 4.575 14.612 1.00 92.45 O +ATOM 1204 CB ASP A 153 9.713 2.959 16.557 1.00 91.79 C +ATOM 1205 CG ASP A 153 10.908 3.901 16.781 1.00 85.90 C +ATOM 1206 OD1 ASP A 153 11.848 3.864 15.962 1.00 77.14 O +ATOM 1207 OD2 ASP A 153 10.895 4.659 17.760 1.00 75.00 O +ATOM 1208 N ARG A 154 9.856 4.365 13.375 1.00 93.50 N +ATOM 1209 CA ARG A 154 9.685 5.609 12.605 1.00 93.22 C +ATOM 1210 C ARG A 154 9.690 5.421 11.089 1.00 93.92 C +ATOM 1211 O ARG A 154 9.572 6.418 10.386 1.00 92.54 O +ATOM 1212 CB ARG A 154 10.752 6.620 13.001 1.00 90.90 C +ATOM 1213 CG ARG A 154 10.629 7.026 14.477 1.00 81.50 C +ATOM 1214 CD ARG A 154 11.627 8.132 14.785 1.00 73.90 C +ATOM 1215 NE ARG A 154 11.557 8.484 16.216 1.00 67.38 N +ATOM 1216 CZ ARG A 154 12.153 9.515 16.794 1.00 59.73 C +ATOM 1217 NH1 ARG A 154 12.889 10.334 16.106 1.00 52.76 N +ATOM 1218 NH2 ARG A 154 11.998 9.708 18.062 1.00 49.82 N1+ +ATOM 1219 N LEU A 155 9.869 4.229 10.575 1.00 96.19 N +ATOM 1220 CA LEU A 155 10.073 4.020 9.143 1.00 96.23 C +ATOM 1221 C LEU A 155 9.207 2.884 8.615 1.00 96.41 C +ATOM 1222 O LEU A 155 9.401 1.723 8.983 1.00 96.01 O +ATOM 1223 CB LEU A 155 11.568 3.779 8.876 1.00 95.82 C +ATOM 1224 CG LEU A 155 11.913 3.607 7.384 1.00 94.46 C +ATOM 1225 CD1 LEU A 155 13.411 3.306 7.235 1.00 93.55 C +ATOM 1226 CD2 LEU A 155 11.625 4.862 6.581 1.00 92.22 C +ATOM 1227 N VAL A 156 8.311 3.206 7.692 1.00 96.61 N +ATOM 1228 CA VAL A 156 7.517 2.235 6.959 1.00 96.66 C +ATOM 1229 C VAL A 156 7.956 2.141 5.503 1.00 96.74 C +ATOM 1230 O VAL A 156 8.460 3.102 4.924 1.00 96.37 O +ATOM 1231 CB VAL A 156 6.015 2.513 7.054 1.00 96.33 C +ATOM 1232 CG1 VAL A 156 5.517 2.379 8.493 1.00 95.22 C +ATOM 1233 CG2 VAL A 156 5.598 3.873 6.496 1.00 94.81 C +ATOM 1234 N LYS A 157 7.710 0.977 4.915 1.00 96.84 N +ATOM 1235 CA LYS A 157 8.016 0.685 3.519 1.00 96.72 C +ATOM 1236 C LYS A 157 6.847 -0.053 2.864 1.00 96.80 C +ATOM 1237 O LYS A 157 6.348 -1.033 3.408 1.00 96.49 O +ATOM 1238 CB LYS A 157 9.299 -0.139 3.408 1.00 96.41 C +ATOM 1239 CG LYS A 157 10.496 0.589 4.022 1.00 95.70 C +ATOM 1240 CD LYS A 157 11.804 -0.130 3.732 1.00 94.95 C +ATOM 1241 CE LYS A 157 12.952 0.649 4.389 1.00 93.50 C +ATOM 1242 NZ LYS A 157 14.274 0.202 3.900 1.00 91.58 N1+ +ATOM 1243 N ILE A 158 6.463 0.395 1.696 1.00 96.64 N +ATOM 1244 CA ILE A 158 5.439 -0.260 0.887 1.00 96.68 C +ATOM 1245 C ILE A 158 6.050 -1.493 0.226 1.00 96.72 C +ATOM 1246 O ILE A 158 7.153 -1.432 -0.337 1.00 96.49 O +ATOM 1247 CB ILE A 158 4.853 0.722 -0.142 1.00 96.63 C +ATOM 1248 CG1 ILE A 158 4.270 1.968 0.552 1.00 96.33 C +ATOM 1249 CG2 ILE A 158 3.763 0.030 -0.986 1.00 96.30 C +ATOM 1250 CD1 ILE A 158 4.002 3.126 -0.410 1.00 95.71 C +ATOM 1251 N GLY A 159 5.344 -2.602 0.278 1.00 95.80 N +ATOM 1252 CA GLY A 159 5.716 -3.854 -0.364 1.00 95.51 C +ATOM 1253 C GLY A 159 4.585 -4.452 -1.201 1.00 95.65 C +ATOM 1254 O GLY A 159 3.550 -3.829 -1.432 1.00 94.87 O +ATOM 1255 N ASP A 160 4.784 -5.671 -1.642 1.00 94.56 N +ATOM 1256 CA ASP A 160 3.874 -6.480 -2.467 1.00 94.40 C +ATOM 1257 C ASP A 160 3.406 -5.806 -3.764 1.00 94.67 C +ATOM 1258 O ASP A 160 2.227 -5.511 -3.977 1.00 93.53 O +ATOM 1259 CB ASP A 160 2.726 -7.070 -1.649 1.00 92.92 C +ATOM 1260 CG ASP A 160 2.050 -8.230 -2.393 1.00 86.19 C +ATOM 1261 OD1 ASP A 160 2.541 -8.673 -3.449 1.00 73.72 O +ATOM 1262 OD2 ASP A 160 1.034 -8.732 -1.891 1.00 71.86 O +ATOM 1263 N PHE A 161 4.329 -5.660 -4.680 1.00 95.44 N +ATOM 1264 CA PHE A 161 4.077 -5.118 -6.018 1.00 95.43 C +ATOM 1265 C PHE A 161 3.455 -6.139 -6.993 1.00 95.32 C +ATOM 1266 O PHE A 161 3.434 -5.909 -8.193 1.00 94.18 O +ATOM 1267 CB PHE A 161 5.363 -4.491 -6.549 1.00 95.04 C +ATOM 1268 CG PHE A 161 5.751 -3.249 -5.776 1.00 95.10 C +ATOM 1269 CD1 PHE A 161 5.324 -1.990 -6.229 1.00 93.97 C +ATOM 1270 CD2 PHE A 161 6.477 -3.346 -4.582 1.00 93.76 C +ATOM 1271 CE1 PHE A 161 5.603 -0.841 -5.480 1.00 92.73 C +ATOM 1272 CE2 PHE A 161 6.753 -2.202 -3.815 1.00 93.05 C +ATOM 1273 CZ PHE A 161 6.311 -0.951 -4.267 1.00 93.29 C +ATOM 1274 N GLY A 162 2.911 -7.228 -6.484 1.00 94.85 N +ATOM 1275 CA GLY A 162 2.337 -8.304 -7.300 1.00 94.57 C +ATOM 1276 C GLY A 162 1.173 -7.876 -8.197 1.00 94.84 C +ATOM 1277 O GLY A 162 0.994 -8.433 -9.291 1.00 94.02 O +ATOM 1278 N LEU A 163 0.402 -6.894 -7.798 1.00 95.32 N +ATOM 1279 CA LEU A 163 -0.680 -6.314 -8.593 1.00 95.42 C +ATOM 1280 C LEU A 163 -0.276 -5.017 -9.309 1.00 95.45 C +ATOM 1281 O LEU A 163 -1.072 -4.511 -10.101 1.00 94.88 O +ATOM 1282 CB LEU A 163 -1.913 -6.098 -7.710 1.00 95.18 C +ATOM 1283 CG LEU A 163 -2.599 -7.396 -7.249 1.00 94.50 C +ATOM 1284 CD1 LEU A 163 -3.845 -7.042 -6.422 1.00 93.81 C +ATOM 1285 CD2 LEU A 163 -3.062 -8.242 -8.429 1.00 93.13 C +ATOM 1286 N ALA A 164 0.897 -4.477 -9.041 1.00 95.87 N +ATOM 1287 CA ALA A 164 1.330 -3.218 -9.616 1.00 95.80 C +ATOM 1288 C ALA A 164 1.388 -3.286 -11.143 1.00 95.87 C +ATOM 1289 O ALA A 164 1.725 -4.315 -11.738 1.00 95.25 O +ATOM 1290 CB ALA A 164 2.661 -2.799 -9.003 1.00 95.40 C +ATOM 1291 N LYS A 165 1.032 -2.196 -11.785 1.00 95.44 N +ATOM 1292 CA LYS A 165 1.034 -2.088 -13.255 1.00 95.21 C +ATOM 1293 C LYS A 165 1.588 -0.743 -13.688 1.00 95.48 C +ATOM 1294 O LYS A 165 1.314 0.269 -13.063 1.00 95.00 O +ATOM 1295 CB LYS A 165 -0.389 -2.274 -13.808 1.00 94.37 C +ATOM 1296 CG LYS A 165 -0.951 -3.687 -13.611 1.00 90.27 C +ATOM 1297 CD LYS A 165 -0.162 -4.757 -14.367 1.00 86.34 C +ATOM 1298 CE LYS A 165 -0.769 -6.139 -14.091 1.00 79.93 C +ATOM 1299 NZ LYS A 165 0.060 -7.211 -14.709 1.00 73.24 N1+ +ATOM 1300 N ALA A 166 2.313 -0.749 -14.790 1.00 94.88 N +ATOM 1301 CA ALA A 166 2.639 0.464 -15.510 1.00 94.79 C +ATOM 1302 C ALA A 166 1.385 1.033 -16.171 1.00 94.77 C +ATOM 1303 O ALA A 166 0.605 0.294 -16.783 1.00 93.96 O +ATOM 1304 CB ALA A 166 3.726 0.158 -16.523 1.00 94.11 C +ATOM 1305 N VAL A 167 1.204 2.336 -16.067 1.00 93.23 N +ATOM 1306 CA VAL A 167 0.178 3.042 -16.827 1.00 92.96 C +ATOM 1307 C VAL A 167 0.744 3.287 -18.229 1.00 92.79 C +ATOM 1308 O VAL A 167 1.799 3.900 -18.354 1.00 91.82 O +ATOM 1309 CB VAL A 167 -0.215 4.359 -16.148 1.00 92.31 C +ATOM 1310 CG1 VAL A 167 -0.746 4.083 -14.743 1.00 90.96 C +ATOM 1311 CG2 VAL A 167 -1.325 5.063 -16.942 1.00 91.19 C +ATOM 1312 N PRO A 168 0.078 2.828 -19.281 1.00 90.09 N +ATOM 1313 CA PRO A 168 0.562 3.054 -20.636 1.00 89.39 C +ATOM 1314 C PRO A 168 0.665 4.546 -20.952 1.00 89.31 C +ATOM 1315 O PRO A 168 -0.182 5.334 -20.529 1.00 87.97 O +ATOM 1316 CB PRO A 168 -0.431 2.352 -21.565 1.00 87.95 C +ATOM 1317 CG PRO A 168 -1.101 1.321 -20.664 1.00 86.38 C +ATOM 1318 CD PRO A 168 -1.110 1.996 -19.288 1.00 87.89 C +ATOM 1319 N GLU A 169 1.669 4.914 -21.681 1.00 86.94 N +ATOM 1320 CA GLU A 169 1.865 6.297 -22.088 1.00 86.46 C +ATOM 1321 C GLU A 169 0.637 6.847 -22.815 1.00 86.53 C +ATOM 1322 O GLU A 169 0.012 6.157 -23.635 1.00 82.48 O +ATOM 1323 CB GLU A 169 3.122 6.406 -22.940 1.00 83.23 C +ATOM 1324 CG GLU A 169 3.549 7.854 -23.175 1.00 76.23 C +ATOM 1325 CD GLU A 169 4.873 7.999 -23.938 1.00 70.63 C +ATOM 1326 OE1 GLU A 169 5.371 9.149 -24.025 1.00 60.99 O +ATOM 1327 OE2 GLU A 169 5.375 6.986 -24.458 1.00 59.34 O +ATOM 1328 N GLY A 170 0.260 8.050 -22.481 1.00 87.09 N +ATOM 1329 CA GLY A 170 -0.937 8.709 -23.020 1.00 86.91 C +ATOM 1330 C GLY A 170 -2.263 8.181 -22.455 1.00 87.71 C +ATOM 1331 O GLY A 170 -3.326 8.585 -22.891 1.00 85.87 O +ATOM 1332 N HIS A 171 -2.226 7.292 -21.457 1.00 87.94 N +ATOM 1333 CA HIS A 171 -3.416 6.802 -20.746 1.00 88.04 C +ATOM 1334 C HIS A 171 -3.459 7.328 -19.313 1.00 88.85 C +ATOM 1335 O HIS A 171 -2.438 7.559 -18.691 1.00 87.18 O +ATOM 1336 CB HIS A 171 -3.451 5.280 -20.779 1.00 86.96 C +ATOM 1337 CG HIS A 171 -3.654 4.684 -22.144 1.00 86.81 C +ATOM 1338 ND1 HIS A 171 -2.699 4.635 -23.145 1.00 78.23 N1+ +ATOM 1339 CD2 HIS A 171 -4.797 4.120 -22.654 1.00 78.31 C +ATOM 1340 CE1 HIS A 171 -3.234 4.056 -24.220 1.00 77.46 C +ATOM 1341 NE2 HIS A 171 -4.511 3.724 -23.972 1.00 79.89 N +ATOM 1342 N GLU A 172 -4.642 7.463 -18.806 1.00 89.74 N +ATOM 1343 CA GLU A 172 -4.882 7.882 -17.419 1.00 89.71 C +ATOM 1344 C GLU A 172 -5.140 6.702 -16.489 1.00 90.55 C +ATOM 1345 O GLU A 172 -5.093 6.835 -15.264 1.00 88.41 O +ATOM 1346 CB GLU A 172 -6.046 8.863 -17.371 1.00 87.01 C +ATOM 1347 CG GLU A 172 -5.765 10.152 -18.150 1.00 80.03 C +ATOM 1348 CD GLU A 172 -6.887 11.176 -18.059 1.00 77.27 C +ATOM 1349 OE1 GLU A 172 -6.625 12.344 -18.437 1.00 65.18 O +ATOM 1350 OE2 GLU A 172 -8.004 10.814 -17.615 1.00 63.05 O +ATOM 1351 N TYR A 173 -5.408 5.531 -17.046 1.00 91.82 N +ATOM 1352 CA TYR A 173 -5.758 4.344 -16.290 1.00 92.40 C +ATOM 1353 C TYR A 173 -5.201 3.062 -16.912 1.00 92.60 C +ATOM 1354 O TYR A 173 -4.935 2.973 -18.101 1.00 91.08 O +ATOM 1355 CB TYR A 173 -7.279 4.250 -16.146 1.00 91.46 C +ATOM 1356 CG TYR A 173 -8.050 4.044 -17.448 1.00 91.77 C +ATOM 1357 CD1 TYR A 173 -8.548 5.157 -18.161 1.00 90.66 C +ATOM 1358 CD2 TYR A 173 -8.279 2.748 -17.935 1.00 90.76 C +ATOM 1359 CE1 TYR A 173 -9.250 4.965 -19.357 1.00 89.83 C +ATOM 1360 CE2 TYR A 173 -8.979 2.548 -19.128 1.00 90.13 C +ATOM 1361 CZ TYR A 173 -9.465 3.665 -19.834 1.00 90.43 C +ATOM 1362 OH TYR A 173 -10.154 3.478 -21.018 1.00 88.12 O +ATOM 1363 N TYR A 174 -5.120 2.039 -16.101 1.00 92.78 N +ATOM 1364 CA TYR A 174 -4.923 0.661 -16.522 1.00 92.76 C +ATOM 1365 C TYR A 174 -6.255 -0.093 -16.436 1.00 92.82 C +ATOM 1366 O TYR A 174 -7.020 0.084 -15.499 1.00 91.76 O +ATOM 1367 CB TYR A 174 -3.845 0.027 -15.641 1.00 91.73 C +ATOM 1368 CG TYR A 174 -3.588 -1.416 -15.991 1.00 90.42 C +ATOM 1369 CD1 TYR A 174 -2.774 -1.751 -17.090 1.00 88.28 C +ATOM 1370 CD2 TYR A 174 -4.210 -2.448 -15.248 1.00 87.47 C +ATOM 1371 CE1 TYR A 174 -2.579 -3.089 -17.449 1.00 85.87 C +ATOM 1372 CE2 TYR A 174 -4.009 -3.787 -15.592 1.00 86.69 C +ATOM 1373 CZ TYR A 174 -3.194 -4.108 -16.697 1.00 86.41 C +ATOM 1374 OH TYR A 174 -2.995 -5.417 -17.051 1.00 84.14 O +ATOM 1375 N ARG A 175 -6.535 -0.953 -17.399 1.00 91.73 N +ATOM 1376 CA ARG A 175 -7.736 -1.806 -17.376 1.00 91.42 C +ATOM 1377 C ARG A 175 -7.368 -3.263 -17.165 1.00 91.28 C +ATOM 1378 O ARG A 175 -6.597 -3.820 -17.953 1.00 90.19 O +ATOM 1379 CB ARG A 175 -8.565 -1.605 -18.661 1.00 90.62 C +ATOM 1380 CG ARG A 175 -9.964 -2.165 -18.499 1.00 87.27 C +ATOM 1381 CD ARG A 175 -10.803 -1.893 -19.763 1.00 86.53 C +ATOM 1382 NE ARG A 175 -12.165 -1.505 -19.412 1.00 83.04 N +ATOM 1383 CZ ARG A 175 -13.098 -1.088 -20.244 1.00 81.37 C +ATOM 1384 NH1 ARG A 175 -12.915 -1.048 -21.542 1.00 75.65 N +ATOM 1385 NH2 ARG A 175 -14.232 -0.669 -19.800 1.00 76.46 N1+ +ATOM 1386 N VAL A 176 -7.958 -3.868 -16.171 1.00 88.36 N +ATOM 1387 CA VAL A 176 -7.788 -5.295 -15.912 1.00 87.95 C +ATOM 1388 C VAL A 176 -8.764 -6.091 -16.795 1.00 87.55 C +ATOM 1389 O VAL A 176 -9.880 -5.672 -17.038 1.00 84.87 O +ATOM 1390 CB VAL A 176 -7.971 -5.611 -14.433 1.00 86.05 C +ATOM 1391 CG1 VAL A 176 -6.929 -4.840 -13.618 1.00 84.35 C +ATOM 1392 CG2 VAL A 176 -7.766 -7.090 -14.098 1.00 83.66 C +ATOM 1393 N ARG A 177 -8.318 -7.225 -17.241 1.00 80.64 N +ATOM 1394 CA ARG A 177 -9.133 -8.150 -18.080 1.00 79.78 C +ATOM 1395 C ARG A 177 -9.325 -9.518 -17.447 1.00 80.13 C +ATOM 1396 O ARG A 177 -9.994 -10.352 -18.041 1.00 73.87 O +ATOM 1397 CB ARG A 177 -8.500 -8.286 -19.462 1.00 75.03 C +ATOM 1398 CG ARG A 177 -8.468 -6.982 -20.257 1.00 68.30 C +ATOM 1399 CD ARG A 177 -7.944 -7.271 -21.655 1.00 63.41 C +ATOM 1400 NE ARG A 177 -7.885 -6.061 -22.476 1.00 58.22 N +ATOM 1401 CZ ARG A 177 -7.514 -5.998 -23.735 1.00 50.55 C +ATOM 1402 NH1 ARG A 177 -7.205 -7.073 -24.406 1.00 49.10 N +ATOM 1403 NH2 ARG A 177 -7.469 -4.862 -24.364 1.00 45.29 N1+ +ATOM 1404 N GLU A 178 -8.708 -9.737 -16.314 1.00 75.77 N +ATOM 1405 CA GLU A 178 -8.639 -11.029 -15.677 1.00 73.78 C +ATOM 1406 C GLU A 178 -9.395 -11.009 -14.358 1.00 73.97 C +ATOM 1407 O GLU A 178 -9.199 -10.125 -13.545 1.00 69.05 O +ATOM 1408 CB GLU A 178 -7.168 -11.403 -15.457 1.00 69.34 C +ATOM 1409 CG GLU A 178 -6.413 -11.504 -16.784 1.00 63.95 C +ATOM 1410 CD GLU A 178 -4.896 -11.678 -16.600 1.00 60.04 C +ATOM 1411 OE1 GLU A 178 -4.184 -11.567 -17.628 1.00 51.62 O +ATOM 1412 OE2 GLU A 178 -4.450 -11.949 -15.469 1.00 49.34 O +ATOM 1413 N ASP A 179 -10.233 -12.001 -14.158 1.00 73.09 N +ATOM 1414 CA ASP A 179 -10.812 -12.275 -12.854 1.00 72.85 C +ATOM 1415 C ASP A 179 -9.780 -12.954 -11.977 1.00 73.43 C +ATOM 1416 O ASP A 179 -8.988 -13.790 -12.413 1.00 68.77 O +ATOM 1417 CB ASP A 179 -12.056 -13.149 -13.021 1.00 68.88 C +ATOM 1418 CG ASP A 179 -13.212 -12.416 -13.701 1.00 66.05 C +ATOM 1419 OD1 ASP A 179 -13.334 -11.193 -13.488 1.00 57.56 O +ATOM 1420 OD2 ASP A 179 -13.967 -13.095 -14.436 1.00 57.52 O +ATOM 1421 N GLY A 180 -9.765 -12.590 -10.713 1.00 75.05 N +ATOM 1422 CA GLY A 180 -8.875 -13.188 -9.727 1.00 74.22 C +ATOM 1423 C GLY A 180 -9.166 -12.661 -8.329 1.00 75.67 C +ATOM 1424 O GLY A 180 -9.991 -11.755 -8.155 1.00 71.36 O +ATOM 1425 N ASP A 181 -8.473 -13.181 -7.354 1.00 79.57 N +ATOM 1426 CA ASP A 181 -8.581 -12.720 -5.979 1.00 80.38 C +ATOM 1427 C ASP A 181 -8.100 -11.267 -5.861 1.00 81.72 C +ATOM 1428 O ASP A 181 -6.916 -10.972 -5.796 1.00 78.90 O +ATOM 1429 CB ASP A 181 -7.812 -13.656 -5.042 1.00 77.15 C +ATOM 1430 CG ASP A 181 -8.532 -14.967 -4.784 1.00 73.90 C +ATOM 1431 OD1 ASP A 181 -9.759 -15.027 -4.960 1.00 67.77 O +ATOM 1432 OD2 ASP A 181 -7.844 -15.934 -4.390 1.00 68.22 O +ATOM 1433 N SER A 182 -9.061 -10.382 -5.865 1.00 89.12 N +ATOM 1434 CA SER A 182 -8.847 -8.953 -5.787 1.00 89.46 C +ATOM 1435 C SER A 182 -9.216 -8.441 -4.391 1.00 89.90 C +ATOM 1436 O SER A 182 -10.240 -8.859 -3.841 1.00 88.84 O +ATOM 1437 CB SER A 182 -9.662 -8.248 -6.859 1.00 88.23 C +ATOM 1438 OG SER A 182 -9.149 -8.562 -8.151 1.00 84.59 O +ATOM 1439 N PRO A 183 -8.468 -7.513 -3.825 1.00 93.40 N +ATOM 1440 CA PRO A 183 -8.765 -6.923 -2.522 1.00 93.41 C +ATOM 1441 C PRO A 183 -9.928 -5.919 -2.637 1.00 93.72 C +ATOM 1442 O PRO A 183 -9.740 -4.722 -2.433 1.00 93.03 O +ATOM 1443 CB PRO A 183 -7.444 -6.314 -2.060 1.00 92.68 C +ATOM 1444 CG PRO A 183 -6.784 -5.874 -3.366 1.00 91.50 C +ATOM 1445 CD PRO A 183 -7.196 -6.995 -4.328 1.00 92.82 C +ATOM 1446 N VAL A 184 -11.117 -6.398 -2.937 1.00 95.39 N +ATOM 1447 CA VAL A 184 -12.285 -5.600 -3.318 1.00 95.39 C +ATOM 1448 C VAL A 184 -12.689 -4.560 -2.268 1.00 95.51 C +ATOM 1449 O VAL A 184 -13.089 -3.464 -2.636 1.00 95.05 O +ATOM 1450 CB VAL A 184 -13.489 -6.484 -3.659 1.00 94.87 C +ATOM 1451 CG1 VAL A 184 -13.185 -7.331 -4.894 1.00 93.51 C +ATOM 1452 CG2 VAL A 184 -13.924 -7.398 -2.519 1.00 93.24 C +ATOM 1453 N PHE A 185 -12.490 -4.841 -0.996 1.00 95.20 N +ATOM 1454 CA PHE A 185 -12.809 -3.907 0.088 1.00 95.32 C +ATOM 1455 C PHE A 185 -11.872 -2.696 0.158 1.00 95.37 C +ATOM 1456 O PHE A 185 -12.174 -1.739 0.853 1.00 95.04 O +ATOM 1457 CB PHE A 185 -12.831 -4.657 1.409 1.00 95.23 C +ATOM 1458 CG PHE A 185 -13.834 -5.796 1.443 1.00 95.25 C +ATOM 1459 CD1 PHE A 185 -15.210 -5.534 1.437 1.00 94.73 C +ATOM 1460 CD2 PHE A 185 -13.383 -7.135 1.478 1.00 94.71 C +ATOM 1461 CE1 PHE A 185 -16.129 -6.588 1.482 1.00 94.06 C +ATOM 1462 CE2 PHE A 185 -14.296 -8.187 1.518 1.00 94.02 C +ATOM 1463 CZ PHE A 185 -15.677 -7.921 1.525 1.00 94.05 C +ATOM 1464 N TRP A 186 -10.789 -2.703 -0.566 1.00 95.08 N +ATOM 1465 CA TRP A 186 -9.910 -1.554 -0.761 1.00 95.10 C +ATOM 1466 C TRP A 186 -10.120 -0.850 -2.109 1.00 95.16 C +ATOM 1467 O TRP A 186 -9.447 0.135 -2.380 1.00 94.99 O +ATOM 1468 CB TRP A 186 -8.443 -1.985 -0.604 1.00 95.15 C +ATOM 1469 CG TRP A 186 -8.017 -2.285 0.809 1.00 95.35 C +ATOM 1470 CD1 TRP A 186 -7.309 -1.473 1.615 1.00 95.18 C +ATOM 1471 CD2 TRP A 186 -8.327 -3.492 1.596 1.00 95.33 C +ATOM 1472 NE1 TRP A 186 -7.146 -2.082 2.864 1.00 94.96 N +ATOM 1473 CE2 TRP A 186 -7.780 -3.308 2.892 1.00 95.05 C +ATOM 1474 CE3 TRP A 186 -9.030 -4.697 1.354 1.00 95.01 C +ATOM 1475 CZ2 TRP A 186 -7.918 -4.275 3.924 1.00 94.60 C +ATOM 1476 CZ3 TRP A 186 -9.171 -5.663 2.383 1.00 94.69 C +ATOM 1477 CH2 TRP A 186 -8.614 -5.443 3.658 1.00 94.53 C +ATOM 1478 N TYR A 187 -11.012 -1.350 -2.939 1.00 95.95 N +ATOM 1479 CA TYR A 187 -11.189 -0.843 -4.288 1.00 95.87 C +ATOM 1480 C TYR A 187 -12.228 0.263 -4.379 1.00 96.07 C +ATOM 1481 O TYR A 187 -13.295 0.180 -3.790 1.00 95.71 O +ATOM 1482 CB TYR A 187 -11.478 -1.990 -5.259 1.00 95.49 C +ATOM 1483 CG TYR A 187 -10.294 -2.840 -5.678 1.00 94.66 C +ATOM 1484 CD1 TYR A 187 -8.981 -2.598 -5.229 1.00 93.49 C +ATOM 1485 CD2 TYR A 187 -10.516 -3.884 -6.597 1.00 92.75 C +ATOM 1486 CE1 TYR A 187 -7.907 -3.377 -5.680 1.00 92.37 C +ATOM 1487 CE2 TYR A 187 -9.452 -4.675 -7.056 1.00 92.11 C +ATOM 1488 CZ TYR A 187 -8.150 -4.420 -6.601 1.00 92.24 C +ATOM 1489 OH TYR A 187 -7.091 -5.183 -7.037 1.00 91.79 O +ATOM 1490 N ALA A 188 -11.908 1.261 -5.181 1.00 95.76 N +ATOM 1491 CA ALA A 188 -12.804 2.316 -5.569 1.00 95.71 C +ATOM 1492 C ALA A 188 -13.921 1.812 -6.506 1.00 95.76 C +ATOM 1493 O ALA A 188 -13.745 0.788 -7.181 1.00 95.61 O +ATOM 1494 CB ALA A 188 -11.964 3.410 -6.233 1.00 95.59 C +ATOM 1495 N PRO A 189 -15.025 2.541 -6.645 1.00 95.39 N +ATOM 1496 CA PRO A 189 -16.143 2.142 -7.504 1.00 95.20 C +ATOM 1497 C PRO A 189 -15.751 1.829 -8.949 1.00 95.25 C +ATOM 1498 O PRO A 189 -16.209 0.829 -9.506 1.00 94.96 O +ATOM 1499 CB PRO A 189 -17.128 3.308 -7.438 1.00 94.89 C +ATOM 1500 CG PRO A 189 -16.888 3.894 -6.045 1.00 94.12 C +ATOM 1501 CD PRO A 189 -15.377 3.730 -5.872 1.00 94.89 C +ATOM 1502 N GLU A 190 -14.897 2.618 -9.556 1.00 95.02 N +ATOM 1503 CA GLU A 190 -14.453 2.393 -10.949 1.00 94.97 C +ATOM 1504 C GLU A 190 -13.649 1.097 -11.119 1.00 94.85 C +ATOM 1505 O GLU A 190 -13.655 0.507 -12.193 1.00 94.30 O +ATOM 1506 CB GLU A 190 -13.636 3.604 -11.450 1.00 94.74 C +ATOM 1507 CG GLU A 190 -12.253 3.831 -10.825 1.00 93.97 C +ATOM 1508 CD GLU A 190 -12.216 4.572 -9.481 1.00 93.93 C +ATOM 1509 OE1 GLU A 190 -11.108 4.804 -8.958 1.00 87.62 O +ATOM 1510 OE2 GLU A 190 -13.270 4.932 -8.944 1.00 86.45 O +ATOM 1511 N CYS A 191 -12.981 0.638 -10.052 1.00 95.41 N +ATOM 1512 CA CYS A 191 -12.274 -0.634 -10.061 1.00 95.27 C +ATOM 1513 C CYS A 191 -13.256 -1.811 -9.995 1.00 95.21 C +ATOM 1514 O CYS A 191 -13.059 -2.813 -10.669 1.00 94.74 O +ATOM 1515 CB CYS A 191 -11.305 -0.710 -8.880 1.00 95.11 C +ATOM 1516 SG CYS A 191 -10.169 0.693 -8.824 1.00 94.58 S +ATOM 1517 N LEU A 192 -14.282 -1.677 -9.184 1.00 94.78 N +ATOM 1518 CA LEU A 192 -15.310 -2.710 -8.996 1.00 94.70 C +ATOM 1519 C LEU A 192 -16.225 -2.851 -10.204 1.00 94.64 C +ATOM 1520 O LEU A 192 -16.584 -3.969 -10.582 1.00 94.25 O +ATOM 1521 CB LEU A 192 -16.139 -2.361 -7.751 1.00 94.63 C +ATOM 1522 CG LEU A 192 -15.356 -2.334 -6.419 1.00 94.19 C +ATOM 1523 CD1 LEU A 192 -16.279 -1.876 -5.288 1.00 93.51 C +ATOM 1524 CD2 LEU A 192 -14.815 -3.721 -6.053 1.00 93.34 C +ATOM 1525 N LYS A 193 -16.607 -1.738 -10.779 1.00 94.37 N +ATOM 1526 CA LYS A 193 -17.647 -1.670 -11.828 1.00 94.05 C +ATOM 1527 C LYS A 193 -17.082 -1.720 -13.248 1.00 94.11 C +ATOM 1528 O LYS A 193 -17.669 -2.327 -14.117 1.00 93.16 O +ATOM 1529 CB LYS A 193 -18.464 -0.393 -11.577 1.00 93.15 C +ATOM 1530 CG LYS A 193 -19.753 -0.328 -12.408 1.00 88.71 C +ATOM 1531 CD LYS A 193 -20.527 0.912 -11.985 1.00 86.42 C +ATOM 1532 CE LYS A 193 -21.879 0.995 -12.684 1.00 79.52 C +ATOM 1533 NZ LYS A 193 -22.683 2.104 -12.095 1.00 73.94 N1+ +ATOM 1534 N GLU A 194 -15.963 -1.090 -13.479 1.00 93.98 N +ATOM 1535 CA GLU A 194 -15.394 -0.886 -14.815 1.00 93.75 C +ATOM 1536 C GLU A 194 -14.032 -1.556 -15.028 1.00 94.02 C +ATOM 1537 O GLU A 194 -13.482 -1.495 -16.135 1.00 92.73 O +ATOM 1538 CB GLU A 194 -15.290 0.609 -15.143 1.00 92.47 C +ATOM 1539 CG GLU A 194 -16.605 1.363 -15.024 1.00 85.59 C +ATOM 1540 CD GLU A 194 -16.452 2.822 -15.449 1.00 79.68 C +ATOM 1541 OE1 GLU A 194 -17.436 3.553 -15.390 1.00 68.19 O +ATOM 1542 OE2 GLU A 194 -15.330 3.218 -15.889 1.00 65.41 O +ATOM 1543 N TYR A 195 -13.492 -2.147 -14.002 1.00 93.68 N +ATOM 1544 CA TYR A 195 -12.136 -2.727 -13.992 1.00 93.52 C +ATOM 1545 C TYR A 195 -11.048 -1.739 -14.402 1.00 93.83 C +ATOM 1546 O TYR A 195 -9.991 -2.127 -14.903 1.00 92.70 O +ATOM 1547 CB TYR A 195 -12.121 -4.019 -14.838 1.00 92.31 C +ATOM 1548 CG TYR A 195 -13.148 -5.047 -14.416 1.00 89.72 C +ATOM 1549 CD1 TYR A 195 -12.810 -5.999 -13.419 1.00 86.13 C +ATOM 1550 CD2 TYR A 195 -14.428 -5.049 -14.975 1.00 83.82 C +ATOM 1551 CE1 TYR A 195 -13.776 -6.955 -13.031 1.00 79.34 C +ATOM 1552 CE2 TYR A 195 -15.393 -5.995 -14.573 1.00 80.44 C +ATOM 1553 CZ TYR A 195 -15.050 -6.951 -13.597 1.00 79.65 C +ATOM 1554 OH TYR A 195 -15.975 -7.880 -13.196 1.00 77.91 O +ATOM 1555 N LYS A 196 -11.293 -0.463 -14.148 1.00 94.19 N +ATOM 1556 CA LYS A 196 -10.346 0.624 -14.416 1.00 93.91 C +ATOM 1557 C LYS A 196 -9.605 1.005 -13.148 1.00 94.07 C +ATOM 1558 O LYS A 196 -10.213 1.210 -12.110 1.00 93.23 O +ATOM 1559 CB LYS A 196 -11.076 1.840 -15.010 1.00 93.16 C +ATOM 1560 CG LYS A 196 -11.609 1.631 -16.412 1.00 90.11 C +ATOM 1561 CD LYS A 196 -12.356 2.900 -16.822 1.00 87.41 C +ATOM 1562 CE LYS A 196 -13.107 2.767 -18.150 1.00 82.87 C +ATOM 1563 NZ LYS A 196 -14.124 3.837 -18.245 1.00 78.16 N1+ +ATOM 1564 N PHE A 197 -8.308 1.152 -13.261 1.00 94.59 N +ATOM 1565 CA PHE A 197 -7.419 1.562 -12.166 1.00 94.69 C +ATOM 1566 C PHE A 197 -6.683 2.828 -12.562 1.00 94.62 C +ATOM 1567 O PHE A 197 -5.819 2.805 -13.440 1.00 93.47 O +ATOM 1568 CB PHE A 197 -6.452 0.435 -11.851 1.00 93.90 C +ATOM 1569 CG PHE A 197 -7.111 -0.776 -11.243 1.00 92.04 C +ATOM 1570 CD1 PHE A 197 -7.113 -0.954 -9.850 1.00 88.40 C +ATOM 1571 CD2 PHE A 197 -7.755 -1.719 -12.064 1.00 89.69 C +ATOM 1572 CE1 PHE A 197 -7.768 -2.066 -9.285 1.00 88.93 C +ATOM 1573 CE2 PHE A 197 -8.414 -2.821 -11.500 1.00 88.41 C +ATOM 1574 CZ PHE A 197 -8.424 -2.992 -10.113 1.00 88.22 C +ATOM 1575 N TYR A 198 -7.066 3.909 -11.922 1.00 95.05 N +ATOM 1576 CA TYR A 198 -6.415 5.210 -12.012 1.00 94.89 C +ATOM 1577 C TYR A 198 -5.403 5.364 -10.895 1.00 94.98 C +ATOM 1578 O TYR A 198 -5.453 4.641 -9.897 1.00 94.42 O +ATOM 1579 CB TYR A 198 -7.478 6.303 -11.933 1.00 94.38 C +ATOM 1580 CG TYR A 198 -8.485 6.286 -13.065 1.00 93.72 C +ATOM 1581 CD1 TYR A 198 -8.331 7.136 -14.170 1.00 92.55 C +ATOM 1582 CD2 TYR A 198 -9.601 5.421 -13.021 1.00 91.46 C +ATOM 1583 CE1 TYR A 198 -9.269 7.128 -15.216 1.00 90.74 C +ATOM 1584 CE2 TYR A 198 -10.529 5.386 -14.054 1.00 91.61 C +ATOM 1585 CZ TYR A 198 -10.365 6.247 -15.152 1.00 91.44 C +ATOM 1586 OH TYR A 198 -11.271 6.242 -16.181 1.00 89.64 O +ATOM 1587 N TYR A 199 -4.553 6.373 -10.972 1.00 96.06 N +ATOM 1588 CA TYR A 199 -3.772 6.822 -9.813 1.00 95.98 C +ATOM 1589 C TYR A 199 -4.671 7.153 -8.618 1.00 96.05 C +ATOM 1590 O TYR A 199 -4.417 6.755 -7.497 1.00 95.66 O +ATOM 1591 CB TYR A 199 -2.927 8.030 -10.199 1.00 95.70 C +ATOM 1592 CG TYR A 199 -1.901 7.753 -11.277 1.00 95.31 C +ATOM 1593 CD1 TYR A 199 -0.810 6.908 -11.009 1.00 94.60 C +ATOM 1594 CD2 TYR A 199 -2.031 8.338 -12.555 1.00 94.33 C +ATOM 1595 CE1 TYR A 199 0.150 6.656 -12.002 1.00 93.75 C +ATOM 1596 CE2 TYR A 199 -1.071 8.086 -13.549 1.00 93.70 C +ATOM 1597 CZ TYR A 199 0.018 7.258 -13.269 1.00 93.73 C +ATOM 1598 OH TYR A 199 0.972 7.011 -14.238 1.00 92.56 O +ATOM 1599 N ALA A 200 -5.800 7.791 -8.890 1.00 95.53 N +ATOM 1600 CA ALA A 200 -6.815 8.073 -7.881 1.00 95.43 C +ATOM 1601 C ALA A 200 -7.452 6.826 -7.250 1.00 95.67 C +ATOM 1602 O ALA A 200 -8.059 6.930 -6.188 1.00 95.35 O +ATOM 1603 CB ALA A 200 -7.865 8.959 -8.537 1.00 94.95 C +ATOM 1604 N SER A 201 -7.339 5.658 -7.868 1.00 96.16 N +ATOM 1605 CA SER A 201 -7.807 4.404 -7.267 1.00 96.11 C +ATOM 1606 C SER A 201 -6.882 3.935 -6.142 1.00 96.21 C +ATOM 1607 O SER A 201 -7.358 3.429 -5.134 1.00 95.99 O +ATOM 1608 CB SER A 201 -7.952 3.301 -8.323 1.00 95.92 C +ATOM 1609 OG SER A 201 -8.680 3.747 -9.454 1.00 95.40 O +ATOM 1610 N ASP A 202 -5.593 4.204 -6.264 1.00 96.43 N +ATOM 1611 CA ASP A 202 -4.665 3.997 -5.150 1.00 96.39 C +ATOM 1612 C ASP A 202 -4.912 4.978 -4.007 1.00 96.44 C +ATOM 1613 O ASP A 202 -4.808 4.603 -2.842 1.00 96.15 O +ATOM 1614 CB ASP A 202 -3.212 4.136 -5.624 1.00 96.30 C +ATOM 1615 CG ASP A 202 -2.655 2.925 -6.364 1.00 96.09 C +ATOM 1616 OD1 ASP A 202 -3.203 1.807 -6.241 1.00 95.23 O +ATOM 1617 OD2 ASP A 202 -1.596 3.099 -7.007 1.00 94.74 O +ATOM 1618 N VAL A 203 -5.314 6.195 -4.320 1.00 96.28 N +ATOM 1619 CA VAL A 203 -5.714 7.177 -3.290 1.00 96.35 C +ATOM 1620 C VAL A 203 -6.940 6.700 -2.507 1.00 96.41 C +ATOM 1621 O VAL A 203 -6.978 6.850 -1.286 1.00 96.25 O +ATOM 1622 CB VAL A 203 -5.982 8.558 -3.921 1.00 96.30 C +ATOM 1623 CG1 VAL A 203 -4.704 9.119 -4.548 1.00 96.09 C +ATOM 1624 CG2 VAL A 203 -6.470 9.572 -2.872 1.00 96.14 C +ATOM 1625 N TRP A 204 -7.890 6.078 -3.167 1.00 96.27 N +ATOM 1626 CA TRP A 204 -8.996 5.421 -2.460 1.00 96.25 C +ATOM 1627 C TRP A 204 -8.487 4.341 -1.505 1.00 96.21 C +ATOM 1628 O TRP A 204 -8.837 4.334 -0.323 1.00 95.94 O +ATOM 1629 CB TRP A 204 -9.987 4.827 -3.462 1.00 96.26 C +ATOM 1630 CG TRP A 204 -11.141 4.116 -2.833 1.00 96.35 C +ATOM 1631 CD1 TRP A 204 -11.095 2.941 -2.151 1.00 95.96 C +ATOM 1632 CD2 TRP A 204 -12.543 4.536 -2.807 1.00 96.04 C +ATOM 1633 NE1 TRP A 204 -12.360 2.630 -1.682 1.00 95.73 N +ATOM 1634 CE2 TRP A 204 -13.276 3.580 -2.065 1.00 95.93 C +ATOM 1635 CE3 TRP A 204 -13.240 5.638 -3.342 1.00 95.98 C +ATOM 1636 CZ2 TRP A 204 -14.671 3.699 -1.834 1.00 95.63 C +ATOM 1637 CZ3 TRP A 204 -14.640 5.759 -3.130 1.00 95.68 C +ATOM 1638 CH2 TRP A 204 -15.338 4.799 -2.374 1.00 95.56 C +ATOM 1639 N SER A 205 -7.625 3.467 -1.988 1.00 96.10 N +ATOM 1640 CA SER A 205 -7.022 2.409 -1.177 1.00 95.99 C +ATOM 1641 C SER A 205 -6.216 2.972 -0.003 1.00 96.09 C +ATOM 1642 O SER A 205 -6.257 2.412 1.090 1.00 95.87 O +ATOM 1643 CB SER A 205 -6.114 1.525 -2.026 1.00 95.79 C +ATOM 1644 OG SER A 205 -6.822 1.006 -3.143 1.00 94.79 O +ATOM 1645 N PHE A 206 -5.554 4.099 -0.201 1.00 96.67 N +ATOM 1646 CA PHE A 206 -4.889 4.816 0.878 1.00 96.69 C +ATOM 1647 C PHE A 206 -5.874 5.291 1.942 1.00 96.72 C +ATOM 1648 O PHE A 206 -5.601 5.101 3.127 1.00 96.57 O +ATOM 1649 CB PHE A 206 -4.094 5.999 0.323 1.00 96.70 C +ATOM 1650 CG PHE A 206 -3.562 6.899 1.416 1.00 96.75 C +ATOM 1651 CD1 PHE A 206 -2.480 6.474 2.208 1.00 96.46 C +ATOM 1652 CD2 PHE A 206 -4.206 8.105 1.719 1.00 96.49 C +ATOM 1653 CE1 PHE A 206 -2.046 7.236 3.300 1.00 96.24 C +ATOM 1654 CE2 PHE A 206 -3.783 8.882 2.814 1.00 96.22 C +ATOM 1655 CZ PHE A 206 -2.702 8.448 3.606 1.00 96.19 C +ATOM 1656 N GLY A 207 -7.011 5.813 1.574 1.00 96.55 N +ATOM 1657 CA GLY A 207 -8.056 6.175 2.537 1.00 96.47 C +ATOM 1658 C GLY A 207 -8.497 4.977 3.384 1.00 96.62 C +ATOM 1659 O GLY A 207 -8.638 5.086 4.608 1.00 96.41 O +ATOM 1660 N VAL A 208 -8.635 3.803 2.768 1.00 96.45 N +ATOM 1661 CA VAL A 208 -8.930 2.552 3.485 1.00 96.43 C +ATOM 1662 C VAL A 208 -7.743 2.114 4.350 1.00 96.39 C +ATOM 1663 O VAL A 208 -7.934 1.677 5.479 1.00 96.23 O +ATOM 1664 CB VAL A 208 -9.332 1.432 2.507 1.00 96.43 C +ATOM 1665 CG1 VAL A 208 -10.535 1.848 1.634 1.00 96.27 C +ATOM 1666 CG2 VAL A 208 -9.757 0.175 3.267 1.00 96.38 C +ATOM 1667 N THR A 209 -6.524 2.289 3.874 1.00 96.49 N +ATOM 1668 CA THR A 209 -5.316 2.015 4.672 1.00 96.48 C +ATOM 1669 C THR A 209 -5.224 2.949 5.873 1.00 96.51 C +ATOM 1670 O THR A 209 -4.951 2.488 6.978 1.00 96.32 O +ATOM 1671 CB THR A 209 -4.053 2.136 3.812 1.00 96.43 C +ATOM 1672 OG1 THR A 209 -4.160 1.314 2.681 1.00 95.96 O +ATOM 1673 CG2 THR A 209 -2.793 1.720 4.561 1.00 95.81 C +ATOM 1674 N LEU A 210 -5.520 4.221 5.702 1.00 96.85 N +ATOM 1675 CA LEU A 210 -5.558 5.192 6.789 1.00 96.76 C +ATOM 1676 C LEU A 210 -6.616 4.810 7.841 1.00 96.79 C +ATOM 1677 O LEU A 210 -6.324 4.861 9.031 1.00 96.67 O +ATOM 1678 CB LEU A 210 -5.793 6.584 6.191 1.00 96.65 C +ATOM 1679 CG LEU A 210 -5.787 7.738 7.221 1.00 96.04 C +ATOM 1680 CD1 LEU A 210 -6.004 9.063 6.487 1.00 95.50 C +ATOM 1681 CD2 LEU A 210 -4.457 7.833 7.979 1.00 95.02 C +ATOM 1682 N TYR A 211 -7.777 4.332 7.398 1.00 96.22 N +ATOM 1683 CA TYR A 211 -8.773 3.754 8.297 1.00 96.22 C +ATOM 1684 C TYR A 211 -8.217 2.562 9.080 1.00 96.16 C +ATOM 1685 O TYR A 211 -8.381 2.506 10.301 1.00 95.92 O +ATOM 1686 CB TYR A 211 -10.028 3.382 7.495 1.00 96.22 C +ATOM 1687 CG TYR A 211 -11.016 2.539 8.266 1.00 96.24 C +ATOM 1688 CD1 TYR A 211 -12.044 3.146 9.012 1.00 95.90 C +ATOM 1689 CD2 TYR A 211 -10.884 1.138 8.277 1.00 95.87 C +ATOM 1690 CE1 TYR A 211 -12.937 2.366 9.776 1.00 95.53 C +ATOM 1691 CE2 TYR A 211 -11.751 0.352 9.035 1.00 95.48 C +ATOM 1692 CZ TYR A 211 -12.775 0.967 9.786 1.00 95.46 C +ATOM 1693 OH TYR A 211 -13.634 0.203 10.553 1.00 94.96 O +ATOM 1694 N GLU A 212 -7.514 1.655 8.426 1.00 96.28 N +ATOM 1695 CA GLU A 212 -6.863 0.534 9.111 1.00 96.26 C +ATOM 1696 C GLU A 212 -5.879 1.003 10.188 1.00 96.27 C +ATOM 1697 O GLU A 212 -5.895 0.479 11.297 1.00 96.00 O +ATOM 1698 CB GLU A 212 -6.131 -0.371 8.115 1.00 96.04 C +ATOM 1699 CG GLU A 212 -7.049 -1.150 7.170 1.00 95.21 C +ATOM 1700 CD GLU A 212 -6.225 -2.045 6.243 1.00 94.87 C +ATOM 1701 OE1 GLU A 212 -6.061 -3.230 6.565 1.00 87.74 O +ATOM 1702 OE2 GLU A 212 -5.714 -1.558 5.230 1.00 87.20 O +ATOM 1703 N LEU A 213 -5.063 2.004 9.885 1.00 96.50 N +ATOM 1704 CA LEU A 213 -4.122 2.565 10.863 1.00 96.33 C +ATOM 1705 C LEU A 213 -4.859 3.124 12.084 1.00 96.39 C +ATOM 1706 O LEU A 213 -4.513 2.797 13.215 1.00 96.10 O +ATOM 1707 CB LEU A 213 -3.259 3.665 10.230 1.00 96.10 C +ATOM 1708 CG LEU A 213 -2.394 3.243 9.021 1.00 95.18 C +ATOM 1709 CD1 LEU A 213 -1.463 4.385 8.636 1.00 94.45 C +ATOM 1710 CD2 LEU A 213 -1.567 2.009 9.298 1.00 93.75 C +ATOM 1711 N LEU A 214 -5.892 3.908 11.855 1.00 96.28 N +ATOM 1712 CA LEU A 214 -6.644 4.554 12.937 1.00 96.18 C +ATOM 1713 C LEU A 214 -7.523 3.589 13.749 1.00 96.20 C +ATOM 1714 O LEU A 214 -7.928 3.930 14.848 1.00 95.77 O +ATOM 1715 CB LEU A 214 -7.454 5.712 12.350 1.00 95.78 C +ATOM 1716 CG LEU A 214 -6.721 7.079 12.272 1.00 94.38 C +ATOM 1717 CD1 LEU A 214 -5.453 7.018 11.432 1.00 93.21 C +ATOM 1718 CD2 LEU A 214 -6.379 7.627 13.635 1.00 91.80 C +ATOM 1719 N THR A 215 -7.772 2.401 13.232 1.00 95.66 N +ATOM 1720 CA THR A 215 -8.374 1.287 13.979 1.00 95.53 C +ATOM 1721 C THR A 215 -7.336 0.357 14.594 1.00 95.50 C +ATOM 1722 O THR A 215 -7.703 -0.678 15.165 1.00 95.22 O +ATOM 1723 CB THR A 215 -9.345 0.485 13.104 1.00 95.38 C +ATOM 1724 OG1 THR A 215 -8.707 -0.024 11.971 1.00 95.09 O +ATOM 1725 CG2 THR A 215 -10.551 1.328 12.680 1.00 95.03 C +ATOM 1726 N HIS A 216 -6.062 0.687 14.486 1.00 95.88 N +ATOM 1727 CA HIS A 216 -4.936 -0.173 14.886 1.00 95.70 C +ATOM 1728 C HIS A 216 -4.998 -1.576 14.256 1.00 95.73 C +ATOM 1729 O HIS A 216 -4.560 -2.551 14.863 1.00 95.25 O +ATOM 1730 CB HIS A 216 -4.811 -0.221 16.409 1.00 95.18 C +ATOM 1731 CG HIS A 216 -4.451 1.107 17.027 1.00 93.89 C +ATOM 1732 ND1 HIS A 216 -3.168 1.485 17.363 1.00 89.66 N1+ +ATOM 1733 CD2 HIS A 216 -5.276 2.141 17.374 1.00 86.58 C +ATOM 1734 CE1 HIS A 216 -3.211 2.707 17.887 1.00 86.68 C +ATOM 1735 NE2 HIS A 216 -4.484 3.146 17.913 1.00 88.75 N +ATOM 1736 N CYS A 217 -5.525 -1.691 13.068 1.00 95.47 N +ATOM 1737 CA CYS A 217 -5.774 -2.964 12.380 1.00 95.30 C +ATOM 1738 C CYS A 217 -6.572 -3.979 13.219 1.00 95.15 C +ATOM 1739 O CYS A 217 -6.372 -5.193 13.075 1.00 94.57 O +ATOM 1740 CB CYS A 217 -4.481 -3.539 11.813 1.00 94.97 C +ATOM 1741 SG CYS A 217 -3.716 -2.442 10.591 1.00 94.33 S +ATOM 1742 N ASP A 218 -7.454 -3.501 14.065 1.00 95.01 N +ATOM 1743 CA ASP A 218 -8.375 -4.374 14.800 1.00 94.90 C +ATOM 1744 C ASP A 218 -9.242 -5.171 13.816 1.00 95.03 C +ATOM 1745 O ASP A 218 -9.980 -4.602 13.007 1.00 94.52 O +ATOM 1746 CB ASP A 218 -9.226 -3.545 15.763 1.00 94.35 C +ATOM 1747 CG ASP A 218 -10.251 -4.356 16.553 1.00 92.77 C +ATOM 1748 OD1 ASP A 218 -10.399 -5.574 16.322 1.00 89.30 O +ATOM 1749 OD2 ASP A 218 -10.972 -3.724 17.364 1.00 87.35 O +ATOM 1750 N SER A 219 -9.142 -6.487 13.882 1.00 93.94 N +ATOM 1751 CA SER A 219 -9.853 -7.395 12.974 1.00 93.92 C +ATOM 1752 C SER A 219 -11.381 -7.239 13.056 1.00 94.15 C +ATOM 1753 O SER A 219 -12.065 -7.393 12.041 1.00 93.05 O +ATOM 1754 CB SER A 219 -9.462 -8.843 13.280 1.00 92.80 C +ATOM 1755 OG SER A 219 -9.793 -9.207 14.599 1.00 88.95 O +ATOM 1756 N SER A 220 -11.919 -6.871 14.216 1.00 94.61 N +ATOM 1757 CA SER A 220 -13.347 -6.610 14.376 1.00 94.43 C +ATOM 1758 C SER A 220 -13.811 -5.336 13.665 1.00 94.59 C +ATOM 1759 O SER A 220 -14.996 -5.182 13.358 1.00 93.92 O +ATOM 1760 CB SER A 220 -13.689 -6.540 15.875 1.00 93.68 C +ATOM 1761 OG SER A 220 -13.233 -5.357 16.474 1.00 90.81 O +ATOM 1762 N GLN A 221 -12.899 -4.445 13.366 1.00 94.26 N +ATOM 1763 CA GLN A 221 -13.147 -3.181 12.685 1.00 94.38 C +ATOM 1764 C GLN A 221 -12.549 -3.145 11.270 1.00 94.73 C +ATOM 1765 O GLN A 221 -12.626 -2.108 10.621 1.00 93.94 O +ATOM 1766 CB GLN A 221 -12.594 -2.029 13.530 1.00 93.56 C +ATOM 1767 CG GLN A 221 -13.268 -1.941 14.897 1.00 90.27 C +ATOM 1768 CD GLN A 221 -12.815 -0.704 15.660 1.00 88.16 C +ATOM 1769 OE1 GLN A 221 -13.028 0.418 15.220 1.00 81.02 O +ATOM 1770 NE2 GLN A 221 -12.185 -0.867 16.799 1.00 77.86 N +ATOM 1771 N SER A 222 -12.000 -4.236 10.793 1.00 94.92 N +ATOM 1772 CA SER A 222 -11.355 -4.296 9.480 1.00 94.95 C +ATOM 1773 C SER A 222 -12.324 -3.923 8.350 1.00 95.10 C +ATOM 1774 O SER A 222 -13.535 -4.139 8.491 1.00 94.74 O +ATOM 1775 CB SER A 222 -10.762 -5.687 9.233 1.00 94.45 C +ATOM 1776 OG SER A 222 -11.787 -6.643 9.014 1.00 92.93 O +ATOM 1777 N PRO A 223 -11.840 -3.413 7.214 1.00 95.16 N +ATOM 1778 CA PRO A 223 -12.696 -3.084 6.079 1.00 95.25 C +ATOM 1779 C PRO A 223 -13.606 -4.235 5.633 1.00 95.35 C +ATOM 1780 O PRO A 223 -14.807 -4.014 5.512 1.00 95.18 O +ATOM 1781 CB PRO A 223 -11.754 -2.592 4.976 1.00 95.11 C +ATOM 1782 CG PRO A 223 -10.561 -2.067 5.762 1.00 94.70 C +ATOM 1783 CD PRO A 223 -10.480 -2.994 6.971 1.00 95.42 C +ATOM 1784 N PRO A 224 -13.129 -5.482 5.489 1.00 94.39 N +ATOM 1785 CA PRO A 224 -14.001 -6.608 5.171 1.00 94.24 C +ATOM 1786 C PRO A 224 -15.108 -6.809 6.205 1.00 94.29 C +ATOM 1787 O PRO A 224 -16.267 -6.973 5.835 1.00 93.95 O +ATOM 1788 CB PRO A 224 -13.109 -7.849 5.104 1.00 93.85 C +ATOM 1789 CG PRO A 224 -11.736 -7.279 4.759 1.00 93.17 C +ATOM 1790 CD PRO A 224 -11.727 -5.943 5.477 1.00 94.14 C +ATOM 1791 N THR A 225 -14.760 -6.767 7.492 1.00 94.89 N +ATOM 1792 CA THR A 225 -15.751 -6.956 8.575 1.00 94.63 C +ATOM 1793 C THR A 225 -16.831 -5.885 8.524 1.00 94.86 C +ATOM 1794 O THR A 225 -18.016 -6.217 8.486 1.00 94.44 O +ATOM 1795 CB THR A 225 -15.055 -6.962 9.942 1.00 94.05 C +ATOM 1796 OG1 THR A 225 -14.108 -8.004 9.989 1.00 91.02 O +ATOM 1797 CG2 THR A 225 -16.022 -7.177 11.099 1.00 89.86 C +ATOM 1798 N LYS A 226 -16.456 -4.622 8.448 1.00 94.30 N +ATOM 1799 CA LYS A 226 -17.400 -3.506 8.433 1.00 94.22 C +ATOM 1800 C LYS A 226 -18.253 -3.462 7.175 1.00 94.37 C +ATOM 1801 O LYS A 226 -19.443 -3.246 7.269 1.00 93.80 O +ATOM 1802 CB LYS A 226 -16.639 -2.183 8.608 1.00 93.63 C +ATOM 1803 CG LYS A 226 -16.089 -1.999 10.039 1.00 91.10 C +ATOM 1804 CD LYS A 226 -17.235 -1.917 11.061 1.00 88.77 C +ATOM 1805 CE LYS A 226 -16.736 -1.924 12.490 1.00 85.37 C +ATOM 1806 NZ LYS A 226 -17.789 -2.467 13.385 1.00 80.96 N1+ +ATOM 1807 N PHE A 227 -17.695 -3.733 6.019 1.00 94.14 N +ATOM 1808 CA PHE A 227 -18.484 -3.797 4.799 1.00 94.22 C +ATOM 1809 C PHE A 227 -19.434 -4.989 4.777 1.00 94.17 C +ATOM 1810 O PHE A 227 -20.576 -4.827 4.402 1.00 94.02 O +ATOM 1811 CB PHE A 227 -17.570 -3.790 3.572 1.00 94.32 C +ATOM 1812 CG PHE A 227 -17.000 -2.426 3.215 1.00 94.64 C +ATOM 1813 CD1 PHE A 227 -17.862 -1.333 3.010 1.00 94.20 C +ATOM 1814 CD2 PHE A 227 -15.620 -2.266 3.024 1.00 94.27 C +ATOM 1815 CE1 PHE A 227 -17.337 -0.089 2.621 1.00 93.82 C +ATOM 1816 CE2 PHE A 227 -15.094 -1.020 2.624 1.00 93.83 C +ATOM 1817 CZ PHE A 227 -15.955 0.069 2.420 1.00 93.87 C +ATOM 1818 N LEU A 228 -19.020 -6.158 5.250 1.00 93.51 N +ATOM 1819 CA LEU A 228 -19.898 -7.318 5.335 1.00 93.52 C +ATOM 1820 C LEU A 228 -21.038 -7.118 6.349 1.00 93.44 C +ATOM 1821 O LEU A 228 -22.150 -7.549 6.082 1.00 93.00 O +ATOM 1822 CB LEU A 228 -19.089 -8.574 5.655 1.00 93.34 C +ATOM 1823 CG LEU A 228 -18.210 -9.076 4.491 1.00 92.41 C +ATOM 1824 CD1 LEU A 228 -17.312 -10.223 4.990 1.00 91.36 C +ATOM 1825 CD2 LEU A 228 -19.056 -9.619 3.336 1.00 90.62 C +ATOM 1826 N GLU A 229 -20.824 -6.394 7.439 1.00 93.18 N +ATOM 1827 CA GLU A 229 -21.885 -5.980 8.349 1.00 92.92 C +ATOM 1828 C GLU A 229 -22.920 -5.111 7.629 1.00 92.96 C +ATOM 1829 O GLU A 229 -24.128 -5.262 7.883 1.00 92.02 O +ATOM 1830 CB GLU A 229 -21.307 -5.205 9.545 1.00 92.12 C +ATOM 1831 CG GLU A 229 -20.595 -6.082 10.587 1.00 88.45 C +ATOM 1832 CD GLU A 229 -19.815 -5.274 11.660 1.00 87.16 C +ATOM 1833 OE1 GLU A 229 -19.012 -5.888 12.376 1.00 79.71 O +ATOM 1834 OE2 GLU A 229 -19.967 -4.043 11.744 1.00 76.35 O +ATOM 1835 N LEU A 230 -22.487 -4.249 6.719 1.00 90.95 N +ATOM 1836 CA LEU A 230 -23.367 -3.340 5.988 1.00 90.76 C +ATOM 1837 C LEU A 230 -24.109 -4.004 4.824 1.00 90.90 C +ATOM 1838 O LEU A 230 -25.252 -3.638 4.532 1.00 89.80 O +ATOM 1839 CB LEU A 230 -22.535 -2.157 5.478 1.00 89.85 C +ATOM 1840 CG LEU A 230 -22.020 -1.203 6.570 1.00 87.09 C +ATOM 1841 CD1 LEU A 230 -21.036 -0.203 5.937 1.00 85.40 C +ATOM 1842 CD2 LEU A 230 -23.133 -0.424 7.236 1.00 84.93 C +ATOM 1843 N ILE A 231 -23.495 -4.953 4.128 1.00 90.59 N +ATOM 1844 CA ILE A 231 -24.088 -5.598 2.947 1.00 90.22 C +ATOM 1845 C ILE A 231 -24.763 -6.938 3.266 1.00 89.86 C +ATOM 1846 O ILE A 231 -25.446 -7.484 2.414 1.00 87.93 O +ATOM 1847 CB ILE A 231 -23.071 -5.716 1.799 1.00 89.49 C +ATOM 1848 CG1 ILE A 231 -21.979 -6.750 2.077 1.00 88.51 C +ATOM 1849 CG2 ILE A 231 -22.517 -4.333 1.439 1.00 87.98 C +ATOM 1850 CD1 ILE A 231 -20.938 -6.900 0.953 1.00 83.64 C +ATOM 1851 N GLY A 232 -24.522 -7.466 4.438 1.00 84.34 N +ATOM 1852 CA GLY A 232 -24.888 -8.828 4.823 1.00 83.78 C +ATOM 1853 C GLY A 232 -23.962 -9.882 4.254 1.00 84.38 C +ATOM 1854 O GLY A 232 -23.155 -9.631 3.368 1.00 81.91 O +ATOM 1855 N ILE A 233 -24.088 -11.101 4.709 1.00 78.09 N +ATOM 1856 CA ILE A 233 -23.286 -12.224 4.254 1.00 77.40 C +ATOM 1857 C ILE A 233 -23.524 -12.458 2.751 1.00 78.13 C +ATOM 1858 O ILE A 233 -24.656 -12.734 2.329 1.00 74.57 O +ATOM 1859 CB ILE A 233 -23.558 -13.496 5.081 1.00 73.54 C +ATOM 1860 CG1 ILE A 233 -23.241 -13.251 6.558 1.00 71.01 C +ATOM 1861 CG2 ILE A 233 -22.727 -14.675 4.539 1.00 69.65 C +ATOM 1862 CD1 ILE A 233 -23.604 -14.441 7.475 1.00 65.39 C +ATOM 1863 N ALA A 234 -22.472 -12.344 1.986 1.00 72.65 N +ATOM 1864 CA ALA A 234 -22.486 -12.591 0.545 1.00 70.96 C +ATOM 1865 C ALA A 234 -21.175 -13.257 0.133 1.00 72.34 C +ATOM 1866 O ALA A 234 -20.172 -13.198 0.839 1.00 68.44 O +ATOM 1867 CB ALA A 234 -22.708 -11.265 -0.171 1.00 65.43 C +ATOM 1868 N GLN A 235 -21.201 -13.920 -1.002 1.00 70.04 N +ATOM 1869 CA GLN A 235 -20.029 -14.627 -1.535 1.00 70.06 C +ATOM 1870 C GLN A 235 -19.773 -14.200 -2.992 1.00 70.67 C +ATOM 1871 O GLN A 235 -20.709 -13.907 -3.727 1.00 66.03 O +ATOM 1872 CB GLN A 235 -20.266 -16.137 -1.431 1.00 64.83 C +ATOM 1873 CG GLN A 235 -20.267 -16.653 0.013 1.00 59.94 C +ATOM 1874 CD GLN A 235 -18.871 -16.778 0.628 1.00 55.20 C +ATOM 1875 OE1 GLN A 235 -17.893 -16.976 -0.053 1.00 46.54 O +ATOM 1876 NE2 GLN A 235 -18.757 -16.702 1.935 1.00 47.49 N +ATOM 1877 N GLY A 236 -18.536 -14.219 -3.405 1.00 74.56 N +ATOM 1878 CA GLY A 236 -18.122 -14.022 -4.795 1.00 75.03 C +ATOM 1879 C GLY A 236 -18.678 -12.740 -5.420 1.00 77.55 C +ATOM 1880 O GLY A 236 -18.602 -11.663 -4.820 1.00 74.48 O +ATOM 1881 N GLN A 237 -19.246 -12.844 -6.593 1.00 83.17 N +ATOM 1882 CA GLN A 237 -19.779 -11.703 -7.352 1.00 83.80 C +ATOM 1883 C GLN A 237 -20.886 -10.948 -6.614 1.00 85.09 C +ATOM 1884 O GLN A 237 -20.998 -9.743 -6.768 1.00 82.58 O +ATOM 1885 CB GLN A 237 -20.320 -12.180 -8.701 1.00 79.89 C +ATOM 1886 CG GLN A 237 -19.205 -12.629 -9.655 1.00 72.66 C +ATOM 1887 CD GLN A 237 -19.747 -12.982 -11.052 1.00 68.47 C +ATOM 1888 OE1 GLN A 237 -20.925 -13.097 -11.264 1.00 59.31 O +ATOM 1889 NE2 GLN A 237 -18.878 -13.158 -11.995 1.00 57.53 N +ATOM 1890 N MET A 238 -21.668 -11.625 -5.790 1.00 88.44 N +ATOM 1891 CA MET A 238 -22.700 -10.968 -5.015 1.00 89.34 C +ATOM 1892 C MET A 238 -22.138 -9.983 -3.997 1.00 90.18 C +ATOM 1893 O MET A 238 -22.753 -8.946 -3.756 1.00 88.65 O +ATOM 1894 CB MET A 238 -23.574 -12.042 -4.338 1.00 87.70 C +ATOM 1895 CG MET A 238 -24.899 -11.446 -3.863 1.00 81.66 C +ATOM 1896 SD MET A 238 -25.970 -10.898 -5.213 1.00 78.36 S +ATOM 1897 CE MET A 238 -27.403 -10.384 -4.268 1.00 69.58 C +ATOM 1898 N THR A 239 -20.977 -10.260 -3.422 1.00 91.36 N +ATOM 1899 CA THR A 239 -20.261 -9.330 -2.539 1.00 91.79 C +ATOM 1900 C THR A 239 -19.866 -8.083 -3.299 1.00 92.22 C +ATOM 1901 O THR A 239 -20.125 -6.986 -2.829 1.00 91.64 O +ATOM 1902 CB THR A 239 -19.025 -10.001 -1.930 1.00 91.28 C +ATOM 1903 OG1 THR A 239 -19.422 -11.147 -1.227 1.00 90.11 O +ATOM 1904 CG2 THR A 239 -18.289 -9.092 -0.947 1.00 89.85 C +ATOM 1905 N VAL A 240 -19.290 -8.235 -4.473 1.00 93.24 N +ATOM 1906 CA VAL A 240 -18.870 -7.105 -5.318 1.00 93.25 C +ATOM 1907 C VAL A 240 -20.057 -6.251 -5.740 1.00 93.48 C +ATOM 1908 O VAL A 240 -20.002 -5.035 -5.651 1.00 93.08 O +ATOM 1909 CB VAL A 240 -18.090 -7.599 -6.547 1.00 92.71 C +ATOM 1910 CG1 VAL A 240 -16.819 -8.344 -6.116 1.00 91.06 C +ATOM 1911 CG2 VAL A 240 -17.660 -6.434 -7.438 1.00 90.62 C +ATOM 1912 N LEU A 241 -21.170 -6.876 -6.141 1.00 93.13 N +ATOM 1913 CA LEU A 241 -22.403 -6.180 -6.522 1.00 93.14 C +ATOM 1914 C LEU A 241 -22.941 -5.342 -5.361 1.00 93.54 C +ATOM 1915 O LEU A 241 -23.112 -4.132 -5.511 1.00 92.82 O +ATOM 1916 CB LEU A 241 -23.406 -7.208 -6.992 1.00 92.12 C +ATOM 1917 CG LEU A 241 -24.714 -6.573 -7.520 1.00 86.03 C +ATOM 1918 CD1 LEU A 241 -25.771 -7.652 -7.701 1.00 82.55 C +ATOM 1919 CD2 LEU A 241 -24.512 -5.896 -8.856 1.00 79.48 C +ATOM 1920 N ARG A 242 -23.117 -5.929 -4.213 1.00 92.67 N +ATOM 1921 CA ARG A 242 -23.637 -5.235 -3.029 1.00 92.62 C +ATOM 1922 C ARG A 242 -22.695 -4.163 -2.508 1.00 93.22 C +ATOM 1923 O ARG A 242 -23.158 -3.109 -2.081 1.00 92.92 O +ATOM 1924 CB ARG A 242 -23.912 -6.239 -1.908 1.00 91.95 C +ATOM 1925 CG ARG A 242 -25.115 -7.124 -2.193 1.00 88.00 C +ATOM 1926 CD ARG A 242 -25.312 -8.040 -1.001 1.00 85.84 C +ATOM 1927 NE ARG A 242 -26.425 -8.976 -1.189 1.00 80.47 N +ATOM 1928 CZ ARG A 242 -26.913 -9.781 -0.268 1.00 75.93 C +ATOM 1929 NH1 ARG A 242 -26.426 -9.791 0.936 1.00 72.13 N +ATOM 1930 NH2 ARG A 242 -27.889 -10.576 -0.549 1.00 72.08 N1+ +ATOM 1931 N LEU A 243 -21.415 -4.396 -2.548 1.00 94.55 N +ATOM 1932 CA LEU A 243 -20.405 -3.396 -2.187 1.00 94.51 C +ATOM 1933 C LEU A 243 -20.469 -2.203 -3.137 1.00 94.48 C +ATOM 1934 O LEU A 243 -20.493 -1.064 -2.680 1.00 94.39 O +ATOM 1935 CB LEU A 243 -19.016 -4.059 -2.192 1.00 94.56 C +ATOM 1936 CG LEU A 243 -17.860 -3.103 -1.862 1.00 94.24 C +ATOM 1937 CD1 LEU A 243 -16.547 -3.880 -1.904 1.00 93.72 C +ATOM 1938 CD2 LEU A 243 -17.993 -2.485 -0.474 1.00 93.50 C +ATOM 1939 N THR A 244 -20.597 -2.447 -4.439 1.00 94.32 N +ATOM 1940 CA THR A 244 -20.736 -1.381 -5.443 1.00 94.28 C +ATOM 1941 C THR A 244 -21.977 -0.554 -5.185 1.00 94.23 C +ATOM 1942 O THR A 244 -21.919 0.660 -5.097 1.00 93.74 O +ATOM 1943 CB THR A 244 -20.756 -1.953 -6.859 1.00 93.97 C +ATOM 1944 OG1 THR A 244 -19.591 -2.707 -7.086 1.00 92.88 O +ATOM 1945 CG2 THR A 244 -20.788 -0.869 -7.921 1.00 92.28 C +ATOM 1946 N GLU A 245 -23.131 -1.193 -4.980 1.00 94.40 N +ATOM 1947 CA GLU A 245 -24.385 -0.521 -4.665 1.00 94.04 C +ATOM 1948 C GLU A 245 -24.298 0.305 -3.369 1.00 94.02 C +ATOM 1949 O GLU A 245 -24.849 1.402 -3.273 1.00 93.19 O +ATOM 1950 CB GLU A 245 -25.484 -1.559 -4.482 1.00 93.24 C +ATOM 1951 CG GLU A 245 -25.924 -2.217 -5.799 1.00 88.19 C +ATOM 1952 CD GLU A 245 -26.881 -3.400 -5.572 1.00 85.72 C +ATOM 1953 OE1 GLU A 245 -27.225 -4.042 -6.591 1.00 77.08 O +ATOM 1954 OE2 GLU A 245 -27.264 -3.659 -4.421 1.00 75.37 O +ATOM 1955 N LEU A 246 -23.611 -0.202 -2.353 1.00 94.65 N +ATOM 1956 CA LEU A 246 -23.404 0.488 -1.084 1.00 94.55 C +ATOM 1957 C LEU A 246 -22.571 1.755 -1.281 1.00 94.63 C +ATOM 1958 O LEU A 246 -22.944 2.825 -0.798 1.00 94.03 O +ATOM 1959 CB LEU A 246 -22.769 -0.507 -0.093 1.00 93.90 C +ATOM 1960 CG LEU A 246 -22.497 0.081 1.312 1.00 91.36 C +ATOM 1961 CD1 LEU A 246 -21.079 0.566 1.456 1.00 89.20 C +ATOM 1962 CD2 LEU A 246 -22.716 -0.997 2.352 1.00 87.59 C +ATOM 1963 N LEU A 247 -21.479 1.660 -2.026 1.00 94.77 N +ATOM 1964 CA LEU A 247 -20.624 2.804 -2.323 1.00 94.75 C +ATOM 1965 C LEU A 247 -21.318 3.839 -3.203 1.00 94.51 C +ATOM 1966 O LEU A 247 -21.165 5.030 -2.955 1.00 94.16 O +ATOM 1967 CB LEU A 247 -19.329 2.311 -2.964 1.00 94.95 C +ATOM 1968 CG LEU A 247 -18.412 1.469 -2.054 1.00 95.08 C +ATOM 1969 CD1 LEU A 247 -17.192 1.007 -2.858 1.00 94.67 C +ATOM 1970 CD2 LEU A 247 -17.930 2.207 -0.815 1.00 94.61 C +ATOM 1971 N GLU A 248 -22.130 3.421 -4.156 1.00 94.45 N +ATOM 1972 CA GLU A 248 -22.933 4.310 -5.012 1.00 94.15 C +ATOM 1973 C GLU A 248 -24.018 5.063 -4.226 1.00 93.91 C +ATOM 1974 O GLU A 248 -24.311 6.217 -4.530 1.00 92.59 O +ATOM 1975 CB GLU A 248 -23.580 3.518 -6.161 1.00 93.25 C +ATOM 1976 CG GLU A 248 -22.541 3.163 -7.242 1.00 88.51 C +ATOM 1977 CD GLU A 248 -23.134 2.464 -8.475 1.00 85.68 C +ATOM 1978 OE1 GLU A 248 -22.409 2.422 -9.499 1.00 74.09 O +ATOM 1979 OE2 GLU A 248 -24.277 1.950 -8.444 1.00 72.13 O +ATOM 1980 N ARG A 249 -24.554 4.498 -3.165 1.00 94.87 N +ATOM 1981 CA ARG A 249 -25.430 5.222 -2.236 1.00 94.39 C +ATOM 1982 C ARG A 249 -24.693 6.223 -1.336 1.00 94.29 C +ATOM 1983 O ARG A 249 -25.343 6.892 -0.516 1.00 93.36 O +ATOM 1984 CB ARG A 249 -26.214 4.221 -1.378 1.00 93.60 C +ATOM 1985 CG ARG A 249 -27.248 3.437 -2.174 1.00 89.91 C +ATOM 1986 CD ARG A 249 -28.174 2.615 -1.274 1.00 87.30 C +ATOM 1987 NE ARG A 249 -27.446 1.728 -0.356 1.00 83.20 N +ATOM 1988 CZ ARG A 249 -27.156 0.462 -0.526 1.00 80.29 C +ATOM 1989 NH1 ARG A 249 -27.421 -0.160 -1.664 1.00 76.29 N +ATOM 1990 NH2 ARG A 249 -26.569 -0.220 0.391 1.00 76.74 N1+ +ATOM 1991 N GLY A 250 -23.381 6.308 -1.436 1.00 94.50 N +ATOM 1992 CA GLY A 250 -22.551 7.201 -0.627 1.00 94.40 C +ATOM 1993 C GLY A 250 -22.155 6.665 0.741 1.00 94.68 C +ATOM 1994 O GLY A 250 -21.566 7.413 1.526 1.00 94.12 O +ATOM 1995 N GLU A 251 -22.464 5.427 1.057 1.00 94.83 N +ATOM 1996 CA GLU A 251 -22.039 4.813 2.311 1.00 94.74 C +ATOM 1997 C GLU A 251 -20.532 4.578 2.314 1.00 95.03 C +ATOM 1998 O GLU A 251 -19.922 4.285 1.287 1.00 94.54 O +ATOM 1999 CB GLU A 251 -22.829 3.531 2.598 1.00 94.06 C +ATOM 2000 CG GLU A 251 -24.303 3.774 2.846 1.00 90.95 C +ATOM 2001 CD GLU A 251 -25.049 2.499 3.233 1.00 88.79 C +ATOM 2002 OE1 GLU A 251 -26.019 2.121 2.540 1.00 78.85 O +ATOM 2003 OE2 GLU A 251 -24.652 1.842 4.216 1.00 76.24 O +ATOM 2004 N ARG A 252 -19.916 4.734 3.465 1.00 94.17 N +ATOM 2005 CA ARG A 252 -18.482 4.612 3.675 1.00 94.29 C +ATOM 2006 C ARG A 252 -18.166 3.894 4.989 1.00 94.23 C +ATOM 2007 O ARG A 252 -19.047 3.753 5.847 1.00 93.81 O +ATOM 2008 CB ARG A 252 -17.833 6.013 3.671 1.00 94.29 C +ATOM 2009 CG ARG A 252 -17.956 6.776 2.344 1.00 94.35 C +ATOM 2010 CD ARG A 252 -17.275 6.071 1.176 1.00 94.22 C +ATOM 2011 NE ARG A 252 -17.350 6.832 -0.063 1.00 93.95 N +ATOM 2012 CZ ARG A 252 -18.253 6.734 -1.024 1.00 93.80 C +ATOM 2013 NH1 ARG A 252 -19.258 5.905 -0.931 1.00 93.36 N +ATOM 2014 NH2 ARG A 252 -18.165 7.466 -2.070 1.00 93.37 N1+ +ATOM 2015 N LEU A 253 -16.935 3.505 5.164 1.00 95.07 N +ATOM 2016 CA LEU A 253 -16.442 3.033 6.459 1.00 95.11 C +ATOM 2017 C LEU A 253 -16.700 4.105 7.540 1.00 95.09 C +ATOM 2018 O LEU A 253 -16.554 5.298 7.273 1.00 94.80 O +ATOM 2019 CB LEU A 253 -14.929 2.715 6.349 1.00 95.08 C +ATOM 2020 CG LEU A 253 -14.599 1.468 5.524 1.00 94.85 C +ATOM 2021 CD1 LEU A 253 -13.086 1.377 5.308 1.00 94.42 C +ATOM 2022 CD2 LEU A 253 -15.037 0.177 6.229 1.00 94.28 C +ATOM 2023 N PRO A 254 -17.077 3.714 8.756 1.00 95.72 N +ATOM 2024 CA PRO A 254 -17.353 4.639 9.834 1.00 95.55 C +ATOM 2025 C PRO A 254 -16.085 5.330 10.339 1.00 95.68 C +ATOM 2026 O PRO A 254 -14.984 4.842 10.129 1.00 95.30 O +ATOM 2027 CB PRO A 254 -18.015 3.787 10.930 1.00 95.11 C +ATOM 2028 CG PRO A 254 -17.339 2.432 10.744 1.00 94.16 C +ATOM 2029 CD PRO A 254 -17.195 2.344 9.230 1.00 94.79 C +ATOM 2030 N ARG A 255 -16.246 6.427 11.038 1.00 95.27 N +ATOM 2031 CA ARG A 255 -15.121 7.074 11.734 1.00 95.14 C +ATOM 2032 C ARG A 255 -14.573 6.145 12.824 1.00 95.01 C +ATOM 2033 O ARG A 255 -15.351 5.759 13.685 1.00 94.62 O +ATOM 2034 CB ARG A 255 -15.591 8.416 12.271 1.00 94.79 C +ATOM 2035 CG ARG A 255 -14.486 9.159 13.023 1.00 93.59 C +ATOM 2036 CD ARG A 255 -14.991 10.521 13.494 1.00 92.25 C +ATOM 2037 NE ARG A 255 -14.043 11.146 14.416 1.00 90.15 N +ATOM 2038 CZ ARG A 255 -14.247 12.232 15.156 1.00 88.79 C +ATOM 2039 NH1 ARG A 255 -15.361 12.894 15.063 1.00 86.96 N +ATOM 2040 NH2 ARG A 255 -13.331 12.645 15.958 1.00 87.63 N1+ +ATOM 2041 N PRO A 256 -13.277 5.795 12.818 1.00 94.73 N +ATOM 2042 CA PRO A 256 -12.670 5.047 13.911 1.00 94.70 C +ATOM 2043 C PRO A 256 -12.735 5.774 15.235 1.00 94.74 C +ATOM 2044 O PRO A 256 -12.714 7.009 15.298 1.00 94.31 O +ATOM 2045 CB PRO A 256 -11.209 4.838 13.492 1.00 94.53 C +ATOM 2046 CG PRO A 256 -11.255 4.947 11.968 1.00 94.04 C +ATOM 2047 CD PRO A 256 -12.332 6.008 11.755 1.00 94.86 C +ATOM 2048 N ASP A 257 -12.786 5.025 16.318 1.00 93.14 N +ATOM 2049 CA ASP A 257 -12.665 5.599 17.650 1.00 92.78 C +ATOM 2050 C ASP A 257 -11.375 6.380 17.810 1.00 92.99 C +ATOM 2051 O ASP A 257 -10.315 5.964 17.326 1.00 91.95 O +ATOM 2052 CB ASP A 257 -12.724 4.508 18.723 1.00 91.31 C +ATOM 2053 CG ASP A 257 -14.137 4.038 19.057 1.00 84.65 C +ATOM 2054 OD1 ASP A 257 -15.105 4.714 18.654 1.00 77.74 O +ATOM 2055 OD2 ASP A 257 -14.224 3.039 19.825 1.00 76.73 O +ATOM 2056 N LYS A 258 -11.430 7.495 18.464 1.00 91.65 N +ATOM 2057 CA LYS A 258 -10.296 8.419 18.652 1.00 91.40 C +ATOM 2058 C LYS A 258 -9.706 9.010 17.360 1.00 91.94 C +ATOM 2059 O LYS A 258 -8.758 9.787 17.446 1.00 90.53 O +ATOM 2060 CB LYS A 258 -9.201 7.788 19.528 1.00 89.67 C +ATOM 2061 CG LYS A 258 -9.713 7.149 20.813 1.00 83.26 C +ATOM 2062 CD LYS A 258 -8.595 6.371 21.514 1.00 77.76 C +ATOM 2063 CE LYS A 258 -9.142 5.654 22.732 1.00 70.80 C +ATOM 2064 NZ LYS A 258 -8.112 4.801 23.377 1.00 63.58 N1+ +ATOM 2065 N CYS A 259 -10.219 8.689 16.199 1.00 94.57 N +ATOM 2066 CA CYS A 259 -9.827 9.375 14.971 1.00 94.69 C +ATOM 2067 C CYS A 259 -10.307 10.830 15.011 1.00 94.81 C +ATOM 2068 O CYS A 259 -11.516 11.060 15.127 1.00 94.40 O +ATOM 2069 CB CYS A 259 -10.411 8.630 13.769 1.00 94.40 C +ATOM 2070 SG CYS A 259 -9.965 9.444 12.214 1.00 93.65 S +ATOM 2071 N PRO A 260 -9.428 11.829 14.892 1.00 95.00 N +ATOM 2072 CA PRO A 260 -9.842 13.227 14.812 1.00 94.87 C +ATOM 2073 C PRO A 260 -10.785 13.454 13.629 1.00 95.05 C +ATOM 2074 O PRO A 260 -10.644 12.835 12.570 1.00 94.65 O +ATOM 2075 CB PRO A 260 -8.559 14.042 14.677 1.00 94.31 C +ATOM 2076 CG PRO A 260 -7.498 13.135 15.295 1.00 93.03 C +ATOM 2077 CD PRO A 260 -7.974 11.749 14.907 1.00 93.76 C +ATOM 2078 N ALA A 261 -11.679 14.404 13.777 1.00 95.47 N +ATOM 2079 CA ALA A 261 -12.655 14.706 12.729 1.00 95.38 C +ATOM 2080 C ALA A 261 -11.976 15.149 11.410 1.00 95.54 C +ATOM 2081 O ALA A 261 -12.419 14.719 10.351 1.00 95.20 O +ATOM 2082 CB ALA A 261 -13.600 15.776 13.251 1.00 94.88 C +ATOM 2083 N GLU A 262 -10.901 15.917 11.495 1.00 95.17 N +ATOM 2084 CA GLU A 262 -10.135 16.365 10.341 1.00 94.96 C +ATOM 2085 C GLU A 262 -9.488 15.210 9.596 1.00 95.33 C +ATOM 2086 O GLU A 262 -9.502 15.177 8.368 1.00 94.70 O +ATOM 2087 CB GLU A 262 -9.120 17.430 10.769 1.00 94.06 C +ATOM 2088 CG GLU A 262 -8.028 16.952 11.736 1.00 87.13 C +ATOM 2089 CD GLU A 262 -7.229 18.074 12.384 1.00 83.94 C +ATOM 2090 OE1 GLU A 262 -6.699 17.834 13.502 1.00 71.81 O +ATOM 2091 OE2 GLU A 262 -7.148 19.184 11.851 1.00 68.66 O +ATOM 2092 N VAL A 263 -8.989 14.206 10.317 1.00 95.83 N +ATOM 2093 CA VAL A 263 -8.400 13.001 9.716 1.00 95.90 C +ATOM 2094 C VAL A 263 -9.476 12.140 9.067 1.00 96.01 C +ATOM 2095 O VAL A 263 -9.272 11.644 7.967 1.00 95.88 O +ATOM 2096 CB VAL A 263 -7.599 12.190 10.756 1.00 95.76 C +ATOM 2097 CG1 VAL A 263 -6.494 13.033 11.396 1.00 95.29 C +ATOM 2098 CG2 VAL A 263 -6.946 10.971 10.129 1.00 95.26 C +ATOM 2099 N TYR A 264 -10.621 12.014 9.667 1.00 96.14 N +ATOM 2100 CA TYR A 264 -11.738 11.323 9.023 1.00 96.10 C +ATOM 2101 C TYR A 264 -12.251 12.052 7.784 1.00 96.04 C +ATOM 2102 O TYR A 264 -12.602 11.434 6.793 1.00 95.75 O +ATOM 2103 CB TYR A 264 -12.860 11.111 10.029 1.00 96.04 C +ATOM 2104 CG TYR A 264 -13.986 10.254 9.457 1.00 95.97 C +ATOM 2105 CD1 TYR A 264 -13.730 8.946 9.036 1.00 95.60 C +ATOM 2106 CD2 TYR A 264 -15.287 10.777 9.351 1.00 95.42 C +ATOM 2107 CE1 TYR A 264 -14.758 8.137 8.507 1.00 95.00 C +ATOM 2108 CE2 TYR A 264 -16.330 9.981 8.829 1.00 95.04 C +ATOM 2109 CZ TYR A 264 -16.061 8.676 8.402 1.00 95.10 C +ATOM 2110 OH TYR A 264 -17.076 7.893 7.911 1.00 94.60 O +ATOM 2111 N HIS A 265 -12.241 13.387 7.788 1.00 95.60 N +ATOM 2112 CA HIS A 265 -12.548 14.173 6.594 1.00 95.33 C +ATOM 2113 C HIS A 265 -11.551 13.882 5.471 1.00 95.58 C +ATOM 2114 O HIS A 265 -11.959 13.723 4.333 1.00 95.11 O +ATOM 2115 CB HIS A 265 -12.551 15.665 6.934 1.00 94.72 C +ATOM 2116 CG HIS A 265 -13.878 16.302 6.646 1.00 91.98 C +ATOM 2117 ND1 HIS A 265 -14.921 16.429 7.565 1.00 85.60 N1+ +ATOM 2118 CD2 HIS A 265 -14.303 16.867 5.468 1.00 82.72 C +ATOM 2119 CE1 HIS A 265 -15.947 17.074 6.954 1.00 79.95 C +ATOM 2120 NE2 HIS A 265 -15.605 17.346 5.677 1.00 80.76 N +ATOM 2121 N LEU A 266 -10.282 13.746 5.805 1.00 95.90 N +ATOM 2122 CA LEU A 266 -9.249 13.382 4.856 1.00 95.82 C +ATOM 2123 C LEU A 266 -9.495 11.986 4.265 1.00 96.10 C +ATOM 2124 O LEU A 266 -9.377 11.803 3.058 1.00 95.79 O +ATOM 2125 CB LEU A 266 -7.897 13.465 5.566 1.00 95.26 C +ATOM 2126 CG LEU A 266 -6.696 13.362 4.610 1.00 92.35 C +ATOM 2127 CD1 LEU A 266 -5.415 13.191 5.415 1.00 89.72 C +ATOM 2128 CD2 LEU A 266 -6.585 14.647 3.779 1.00 86.26 C +ATOM 2129 N MET A 267 -9.881 11.000 5.077 1.00 96.08 N +ATOM 2130 CA MET A 267 -10.287 9.678 4.552 1.00 95.95 C +ATOM 2131 C MET A 267 -11.452 9.808 3.572 1.00 95.95 C +ATOM 2132 O MET A 267 -11.415 9.220 2.500 1.00 95.56 O +ATOM 2133 CB MET A 267 -10.734 8.737 5.683 1.00 95.62 C +ATOM 2134 CG MET A 267 -9.646 8.395 6.691 1.00 93.84 C +ATOM 2135 SD MET A 267 -10.291 7.330 8.005 1.00 92.46 S +ATOM 2136 CE MET A 267 -8.976 7.491 9.198 1.00 88.58 C +ATOM 2137 N LYS A 268 -12.464 10.588 3.914 1.00 96.05 N +ATOM 2138 CA LYS A 268 -13.635 10.790 3.050 1.00 95.87 C +ATOM 2139 C LYS A 268 -13.280 11.473 1.735 1.00 95.99 C +ATOM 2140 O LYS A 268 -13.840 11.072 0.714 1.00 95.49 O +ATOM 2141 CB LYS A 268 -14.719 11.601 3.763 1.00 95.41 C +ATOM 2142 CG LYS A 268 -15.397 10.773 4.870 1.00 93.47 C +ATOM 2143 CD LYS A 268 -16.584 11.527 5.496 1.00 91.19 C +ATOM 2144 CE LYS A 268 -17.765 11.605 4.519 1.00 87.23 C +ATOM 2145 NZ LYS A 268 -18.949 12.212 5.140 1.00 82.34 N1+ +ATOM 2146 N ASN A 269 -12.331 12.384 1.738 1.00 96.14 N +ATOM 2147 CA ASN A 269 -11.831 12.996 0.500 1.00 95.99 C +ATOM 2148 C ASN A 269 -11.132 11.973 -0.396 1.00 96.18 C +ATOM 2149 O ASN A 269 -11.281 12.021 -1.622 1.00 95.88 O +ATOM 2150 CB ASN A 269 -10.886 14.161 0.855 1.00 95.61 C +ATOM 2151 CG ASN A 269 -11.552 15.331 1.545 1.00 94.00 C +ATOM 2152 OD1 ASN A 269 -12.767 15.457 1.591 1.00 90.13 O +ATOM 2153 ND2 ASN A 269 -10.750 16.220 2.076 1.00 85.30 N +ATOM 2154 N CYS A 270 -10.426 11.001 0.201 1.00 96.23 N +ATOM 2155 CA CYS A 270 -9.869 9.875 -0.542 1.00 96.25 C +ATOM 2156 C CYS A 270 -10.950 8.924 -1.094 1.00 96.21 C +ATOM 2157 O CYS A 270 -10.664 8.137 -1.995 1.00 95.95 O +ATOM 2158 CB CYS A 270 -8.889 9.101 0.348 1.00 96.31 C +ATOM 2159 SG CYS A 270 -7.498 10.118 0.896 1.00 96.37 S +ATOM 2160 N TRP A 271 -12.163 8.982 -0.565 1.00 95.96 N +ATOM 2161 CA TRP A 271 -13.311 8.152 -0.961 1.00 95.93 C +ATOM 2162 C TRP A 271 -14.383 8.920 -1.731 1.00 95.75 C +ATOM 2163 O TRP A 271 -15.539 8.508 -1.740 1.00 95.37 O +ATOM 2164 CB TRP A 271 -13.890 7.473 0.280 1.00 95.99 C +ATOM 2165 CG TRP A 271 -12.971 6.626 1.083 1.00 96.25 C +ATOM 2166 CD1 TRP A 271 -11.910 5.939 0.626 1.00 96.00 C +ATOM 2167 CD2 TRP A 271 -13.049 6.401 2.530 1.00 96.14 C +ATOM 2168 NE1 TRP A 271 -11.300 5.276 1.697 1.00 95.77 N +ATOM 2169 CE2 TRP A 271 -11.978 5.540 2.871 1.00 95.94 C +ATOM 2170 CE3 TRP A 271 -13.897 6.825 3.550 1.00 95.97 C +ATOM 2171 CZ2 TRP A 271 -11.770 5.095 4.211 1.00 95.74 C +ATOM 2172 CZ3 TRP A 271 -13.696 6.392 4.882 1.00 95.69 C +ATOM 2173 CH2 TRP A 271 -12.643 5.530 5.202 1.00 95.54 C +ATOM 2174 N GLU A 272 -14.006 9.997 -2.370 1.00 96.37 N +ATOM 2175 CA GLU A 272 -14.889 10.649 -3.335 1.00 96.18 C +ATOM 2176 C GLU A 272 -15.269 9.667 -4.444 1.00 96.19 C +ATOM 2177 O GLU A 272 -14.430 8.924 -4.967 1.00 95.65 O +ATOM 2178 CB GLU A 272 -14.207 11.892 -3.924 1.00 95.67 C +ATOM 2179 CG GLU A 272 -14.167 13.062 -2.937 1.00 93.62 C +ATOM 2180 CD GLU A 272 -15.561 13.654 -2.624 1.00 91.68 C +ATOM 2181 OE1 GLU A 272 -15.687 14.338 -1.577 1.00 80.06 O +ATOM 2182 OE2 GLU A 272 -16.512 13.402 -3.405 1.00 78.36 O +ATOM 2183 N THR A 273 -16.535 9.664 -4.818 1.00 95.14 N +ATOM 2184 CA THR A 273 -17.047 8.768 -5.868 1.00 95.02 C +ATOM 2185 C THR A 273 -16.388 9.064 -7.210 1.00 95.02 C +ATOM 2186 O THR A 273 -15.901 8.142 -7.872 1.00 94.46 O +ATOM 2187 CB THR A 273 -18.575 8.861 -5.977 1.00 94.48 C +ATOM 2188 OG1 THR A 273 -19.143 8.504 -4.736 1.00 92.60 O +ATOM 2189 CG2 THR A 273 -19.150 7.917 -7.031 1.00 91.50 C +ATOM 2190 N GLU A 274 -16.354 10.341 -7.573 1.00 95.02 N +ATOM 2191 CA GLU A 274 -15.614 10.781 -8.740 1.00 94.80 C +ATOM 2192 C GLU A 274 -14.108 10.759 -8.456 1.00 95.10 C +ATOM 2193 O GLU A 274 -13.616 11.463 -7.559 1.00 94.42 O +ATOM 2194 CB GLU A 274 -16.050 12.183 -9.148 1.00 93.71 C +ATOM 2195 CG GLU A 274 -17.309 12.182 -10.015 1.00 87.27 C +ATOM 2196 CD GLU A 274 -17.077 11.480 -11.367 1.00 83.15 C +ATOM 2197 OE1 GLU A 274 -18.039 10.868 -11.874 1.00 71.48 O +ATOM 2198 OE2 GLU A 274 -15.936 11.541 -11.872 1.00 69.09 O +ATOM 2199 N ALA A 275 -13.360 9.999 -9.239 1.00 95.22 N +ATOM 2200 CA ALA A 275 -11.924 9.840 -9.067 1.00 95.15 C +ATOM 2201 C ALA A 275 -11.167 11.184 -9.145 1.00 95.21 C +ATOM 2202 O ALA A 275 -10.220 11.399 -8.387 1.00 94.48 O +ATOM 2203 CB ALA A 275 -11.436 8.868 -10.143 1.00 94.59 C +ATOM 2204 N SER A 276 -11.618 12.085 -9.997 1.00 94.89 N +ATOM 2205 CA SER A 276 -11.040 13.416 -10.184 1.00 94.73 C +ATOM 2206 C SER A 276 -11.172 14.342 -8.974 1.00 95.08 C +ATOM 2207 O SER A 276 -10.423 15.313 -8.873 1.00 94.18 O +ATOM 2208 CB SER A 276 -11.710 14.097 -11.383 1.00 93.51 C +ATOM 2209 OG SER A 276 -13.127 14.131 -11.217 1.00 86.44 O +ATOM 2210 N PHE A 277 -12.066 14.061 -8.064 1.00 95.25 N +ATOM 2211 CA PHE A 277 -12.252 14.847 -6.840 1.00 95.14 C +ATOM 2212 C PHE A 277 -11.385 14.371 -5.674 1.00 95.30 C +ATOM 2213 O PHE A 277 -11.287 15.055 -4.652 1.00 94.85 O +ATOM 2214 CB PHE A 277 -13.736 14.844 -6.450 1.00 94.85 C +ATOM 2215 CG PHE A 277 -14.693 15.465 -7.443 1.00 94.31 C +ATOM 2216 CD1 PHE A 277 -14.236 16.246 -8.523 1.00 93.13 C +ATOM 2217 CD2 PHE A 277 -16.072 15.265 -7.270 1.00 92.40 C +ATOM 2218 CE1 PHE A 277 -15.148 16.813 -9.423 1.00 90.86 C +ATOM 2219 CE2 PHE A 277 -17.000 15.841 -8.180 1.00 91.28 C +ATOM 2220 CZ PHE A 277 -16.538 16.594 -9.253 1.00 91.35 C +ATOM 2221 N ARG A 278 -10.741 13.226 -5.798 1.00 95.79 N +ATOM 2222 CA ARG A 278 -9.823 12.733 -4.771 1.00 95.82 C +ATOM 2223 C ARG A 278 -8.515 13.532 -4.807 1.00 95.73 C +ATOM 2224 O ARG A 278 -8.041 13.892 -5.888 1.00 95.39 O +ATOM 2225 CB ARG A 278 -9.555 11.238 -4.963 1.00 95.84 C +ATOM 2226 CG ARG A 278 -10.844 10.414 -4.949 1.00 95.86 C +ATOM 2227 CD ARG A 278 -10.585 8.946 -5.242 1.00 95.61 C +ATOM 2228 NE ARG A 278 -11.809 8.288 -5.670 1.00 95.49 N +ATOM 2229 CZ ARG A 278 -11.938 7.265 -6.506 1.00 95.57 C +ATOM 2230 NH1 ARG A 278 -10.913 6.640 -6.987 1.00 94.93 N +ATOM 2231 NH2 ARG A 278 -13.108 6.891 -6.886 1.00 95.01 N1+ +ATOM 2232 N PRO A 279 -7.894 13.793 -3.661 1.00 96.13 N +ATOM 2233 CA PRO A 279 -6.569 14.398 -3.635 1.00 96.08 C +ATOM 2234 C PRO A 279 -5.541 13.486 -4.281 1.00 96.21 C +ATOM 2235 O PRO A 279 -5.706 12.269 -4.314 1.00 95.82 O +ATOM 2236 CB PRO A 279 -6.276 14.647 -2.150 1.00 95.78 C +ATOM 2237 CG PRO A 279 -7.082 13.560 -1.444 1.00 95.17 C +ATOM 2238 CD PRO A 279 -8.316 13.401 -2.321 1.00 95.84 C +ATOM 2239 N THR A 280 -4.455 14.030 -4.760 1.00 96.39 N +ATOM 2240 CA THR A 280 -3.284 13.238 -5.142 1.00 96.34 C +ATOM 2241 C THR A 280 -2.420 12.929 -3.915 1.00 96.44 C +ATOM 2242 O THR A 280 -2.562 13.567 -2.873 1.00 96.18 O +ATOM 2243 CB THR A 280 -2.443 13.950 -6.214 1.00 96.09 C +ATOM 2244 OG1 THR A 280 -1.810 15.078 -5.670 1.00 95.61 O +ATOM 2245 CG2 THR A 280 -3.262 14.367 -7.417 1.00 95.52 C +ATOM 2246 N PHE A 281 -1.500 11.984 -4.028 1.00 96.44 N +ATOM 2247 CA PHE A 281 -0.534 11.741 -2.957 1.00 96.46 C +ATOM 2248 C PHE A 281 0.351 12.959 -2.678 1.00 96.43 C +ATOM 2249 O PHE A 281 0.603 13.264 -1.518 1.00 96.18 O +ATOM 2250 CB PHE A 281 0.301 10.511 -3.280 1.00 96.49 C +ATOM 2251 CG PHE A 281 -0.470 9.217 -3.094 1.00 96.66 C +ATOM 2252 CD1 PHE A 281 -0.914 8.831 -1.814 1.00 96.40 C +ATOM 2253 CD2 PHE A 281 -0.748 8.376 -4.194 1.00 96.43 C +ATOM 2254 CE1 PHE A 281 -1.643 7.643 -1.633 1.00 96.18 C +ATOM 2255 CE2 PHE A 281 -1.467 7.182 -4.018 1.00 96.20 C +ATOM 2256 CZ PHE A 281 -1.916 6.811 -2.737 1.00 96.19 C +ATOM 2257 N GLU A 282 0.717 13.711 -3.703 1.00 96.49 N +ATOM 2258 CA GLU A 282 1.443 14.992 -3.527 1.00 96.24 C +ATOM 2259 C GLU A 282 0.647 16.009 -2.718 1.00 96.43 C +ATOM 2260 O GLU A 282 1.226 16.720 -1.897 1.00 95.80 O +ATOM 2261 CB GLU A 282 1.801 15.613 -4.886 1.00 95.44 C +ATOM 2262 CG GLU A 282 2.973 14.907 -5.575 1.00 88.42 C +ATOM 2263 CD GLU A 282 3.490 15.675 -6.795 1.00 84.67 C +ATOM 2264 OE1 GLU A 282 4.711 15.556 -7.074 1.00 71.24 O +ATOM 2265 OE2 GLU A 282 2.677 16.383 -7.443 1.00 69.23 O +ATOM 2266 N ASN A 283 -0.665 16.050 -2.890 1.00 96.07 N +ATOM 2267 CA ASN A 283 -1.501 16.926 -2.079 1.00 96.02 C +ATOM 2268 C ASN A 283 -1.637 16.440 -0.639 1.00 96.17 C +ATOM 2269 O ASN A 283 -1.756 17.233 0.282 1.00 95.77 O +ATOM 2270 CB ASN A 283 -2.900 17.053 -2.706 1.00 95.59 C +ATOM 2271 CG ASN A 283 -2.913 17.552 -4.141 1.00 94.03 C +ATOM 2272 OD1 ASN A 283 -3.626 17.006 -4.960 1.00 91.26 O +ATOM 2273 ND2 ASN A 283 -2.142 18.555 -4.482 1.00 88.01 N +ATOM 2274 N LEU A 284 -1.620 15.128 -0.433 1.00 96.29 N +ATOM 2275 CA LEU A 284 -1.792 14.512 0.884 1.00 96.33 C +ATOM 2276 C LEU A 284 -0.568 14.698 1.786 1.00 96.35 C +ATOM 2277 O LEU A 284 -0.734 14.881 2.991 1.00 96.11 O +ATOM 2278 CB LEU A 284 -2.115 13.031 0.704 1.00 96.37 C +ATOM 2279 CG LEU A 284 -3.533 12.749 0.174 1.00 96.23 C +ATOM 2280 CD1 LEU A 284 -3.661 11.275 -0.212 1.00 95.89 C +ATOM 2281 CD2 LEU A 284 -4.589 13.041 1.243 1.00 95.72 C +ATOM 2282 N ILE A 285 0.631 14.672 1.219 1.00 96.25 N +ATOM 2283 CA ILE A 285 1.894 14.814 1.974 1.00 96.26 C +ATOM 2284 C ILE A 285 1.912 16.061 2.874 1.00 96.26 C +ATOM 2285 O ILE A 285 2.047 15.909 4.094 1.00 96.06 O +ATOM 2286 CB ILE A 285 3.106 14.741 1.030 1.00 96.13 C +ATOM 2287 CG1 ILE A 285 3.269 13.330 0.447 1.00 95.78 C +ATOM 2288 CG2 ILE A 285 4.410 15.157 1.758 1.00 95.67 C +ATOM 2289 CD1 ILE A 285 4.111 13.313 -0.838 1.00 94.72 C +ATOM 2290 N PRO A 286 1.758 17.281 2.359 1.00 95.92 N +ATOM 2291 CA PRO A 286 1.824 18.477 3.199 1.00 95.75 C +ATOM 2292 C PRO A 286 0.682 18.549 4.213 1.00 95.82 C +ATOM 2293 O PRO A 286 0.882 19.031 5.335 1.00 95.34 O +ATOM 2294 CB PRO A 286 1.809 19.668 2.220 1.00 95.37 C +ATOM 2295 CG PRO A 286 1.110 19.110 0.983 1.00 94.54 C +ATOM 2296 CD PRO A 286 1.575 17.663 0.961 1.00 95.29 C +ATOM 2297 N ILE A 287 -0.488 18.034 3.863 1.00 95.96 N +ATOM 2298 CA ILE A 287 -1.641 17.967 4.766 1.00 95.85 C +ATOM 2299 C ILE A 287 -1.319 17.054 5.959 1.00 95.94 C +ATOM 2300 O ILE A 287 -1.412 17.486 7.108 1.00 95.61 O +ATOM 2301 CB ILE A 287 -2.918 17.496 4.021 1.00 95.53 C +ATOM 2302 CG1 ILE A 287 -3.296 18.512 2.913 1.00 94.36 C +ATOM 2303 CG2 ILE A 287 -4.088 17.341 5.003 1.00 93.90 C +ATOM 2304 CD1 ILE A 287 -4.389 18.038 1.949 1.00 91.49 C +ATOM 2305 N LEU A 288 -0.866 15.845 5.681 1.00 95.86 N +ATOM 2306 CA LEU A 288 -0.506 14.870 6.718 1.00 95.80 C +ATOM 2307 C LEU A 288 0.673 15.345 7.557 1.00 95.80 C +ATOM 2308 O LEU A 288 0.659 15.138 8.766 1.00 95.48 O +ATOM 2309 CB LEU A 288 -0.194 13.519 6.077 1.00 95.72 C +ATOM 2310 CG LEU A 288 -1.452 12.773 5.622 1.00 95.30 C +ATOM 2311 CD1 LEU A 288 -1.037 11.617 4.737 1.00 94.66 C +ATOM 2312 CD2 LEU A 288 -2.233 12.192 6.825 1.00 94.46 C +ATOM 2313 N LYS A 289 1.625 16.044 6.955 1.00 95.26 N +ATOM 2314 CA LYS A 289 2.749 16.648 7.682 1.00 95.14 C +ATOM 2315 C LYS A 289 2.270 17.675 8.698 1.00 95.26 C +ATOM 2316 O LYS A 289 2.670 17.608 9.866 1.00 94.69 O +ATOM 2317 CB LYS A 289 3.718 17.258 6.649 1.00 94.35 C +ATOM 2318 CG LYS A 289 5.107 17.415 7.231 1.00 90.16 C +ATOM 2319 CD LYS A 289 6.081 17.785 6.097 1.00 86.24 C +ATOM 2320 CE LYS A 289 7.524 17.776 6.612 1.00 79.79 C +ATOM 2321 NZ LYS A 289 8.484 17.919 5.496 1.00 73.26 N1+ +ATOM 2322 N THR A 290 1.373 18.556 8.303 1.00 95.11 N +ATOM 2323 CA THR A 290 0.774 19.554 9.186 1.00 95.00 C +ATOM 2324 C THR A 290 -0.033 18.909 10.309 1.00 95.09 C +ATOM 2325 O THR A 290 0.106 19.304 11.476 1.00 94.42 O +ATOM 2326 CB THR A 290 -0.131 20.489 8.389 1.00 94.44 C +ATOM 2327 OG1 THR A 290 0.593 21.128 7.361 1.00 91.86 O +ATOM 2328 CG2 THR A 290 -0.715 21.614 9.258 1.00 90.62 C +ATOM 2329 N VAL A 291 -0.826 17.905 9.998 1.00 94.82 N +ATOM 2330 CA VAL A 291 -1.633 17.205 11.004 1.00 94.72 C +ATOM 2331 C VAL A 291 -0.733 16.424 11.958 1.00 94.73 C +ATOM 2332 O VAL A 291 -0.919 16.504 13.176 1.00 94.14 O +ATOM 2333 CB VAL A 291 -2.681 16.311 10.329 1.00 94.23 C +ATOM 2334 CG1 VAL A 291 -3.663 17.121 9.498 1.00 92.33 C +ATOM 2335 CG2 VAL A 291 -3.525 15.567 11.362 1.00 92.02 C +ATOM 2336 N HIS A 292 0.273 15.752 11.467 1.00 94.95 N +ATOM 2337 CA HIS A 292 1.263 15.055 12.287 1.00 94.79 C +ATOM 2338 C HIS A 292 1.965 15.990 13.266 1.00 94.63 C +ATOM 2339 O HIS A 292 2.033 15.662 14.457 1.00 93.89 O +ATOM 2340 CB HIS A 292 2.267 14.347 11.369 1.00 94.47 C +ATOM 2341 CG HIS A 292 3.477 13.827 12.102 1.00 93.58 C +ATOM 2342 ND1 HIS A 292 3.456 12.936 13.164 1.00 89.62 N1+ +ATOM 2343 CD2 HIS A 292 4.775 14.204 11.926 1.00 88.85 C +ATOM 2344 CE1 HIS A 292 4.713 12.793 13.605 1.00 88.81 C +ATOM 2345 NE2 HIS A 292 5.543 13.554 12.877 1.00 90.47 N +ATOM 2346 N GLU A 293 2.462 17.135 12.813 1.00 93.29 N +ATOM 2347 CA GLU A 293 3.100 18.139 13.690 1.00 92.98 C +ATOM 2348 C GLU A 293 2.158 18.636 14.779 1.00 92.99 C +ATOM 2349 O GLU A 293 2.538 18.696 15.942 1.00 92.19 O +ATOM 2350 CB GLU A 293 3.612 19.294 12.844 1.00 91.57 C +ATOM 2351 CG GLU A 293 4.882 18.939 12.081 1.00 82.29 C +ATOM 2352 CD GLU A 293 5.409 20.050 11.174 1.00 77.78 C +ATOM 2353 OE1 GLU A 293 6.488 19.830 10.566 1.00 66.92 O +ATOM 2354 OE2 GLU A 293 4.757 21.133 11.081 1.00 63.38 O +ATOM 2355 N LYS A 294 0.920 18.875 14.436 1.00 93.20 N +ATOM 2356 CA LYS A 294 -0.116 19.288 15.381 1.00 93.13 C +ATOM 2357 C LYS A 294 -0.309 18.297 16.495 1.00 93.21 C +ATOM 2358 O LYS A 294 -0.377 18.693 17.667 1.00 92.29 O +ATOM 2359 CB LYS A 294 -1.427 19.517 14.588 1.00 92.48 C +ATOM 2360 CG LYS A 294 -2.601 19.964 15.467 1.00 89.40 C +ATOM 2361 CD LYS A 294 -3.853 20.079 14.599 1.00 86.72 C +ATOM 2362 CE LYS A 294 -5.100 20.397 15.411 1.00 81.52 C +ATOM 2363 NZ LYS A 294 -6.309 20.296 14.553 1.00 72.73 N1+ +ATOM 2364 N TYR A 295 -0.378 17.021 16.207 1.00 93.18 N +ATOM 2365 CA TYR A 295 -0.596 15.991 17.226 1.00 93.33 C +ATOM 2366 C TYR A 295 0.684 15.558 17.936 1.00 93.13 C +ATOM 2367 O TYR A 295 0.618 15.080 19.074 1.00 91.98 O +ATOM 2368 CB TYR A 295 -1.315 14.792 16.627 1.00 93.16 C +ATOM 2369 CG TYR A 295 -2.776 15.104 16.349 1.00 93.31 C +ATOM 2370 CD1 TYR A 295 -3.707 15.192 17.392 1.00 92.45 C +ATOM 2371 CD2 TYR A 295 -3.198 15.348 15.027 1.00 92.16 C +ATOM 2372 CE1 TYR A 295 -5.031 15.561 17.144 1.00 91.30 C +ATOM 2373 CE2 TYR A 295 -4.520 15.738 14.770 1.00 91.83 C +ATOM 2374 CZ TYR A 295 -5.426 15.841 15.817 1.00 92.06 C +ATOM 2375 OH TYR A 295 -6.718 16.240 15.562 1.00 90.48 O +ATOM 2376 N ARG A 296 1.851 15.792 17.369 1.00 89.46 N +ATOM 2377 CA ARG A 296 3.149 15.528 17.998 1.00 88.27 C +ATOM 2378 C ARG A 296 3.395 16.461 19.197 1.00 87.53 C +ATOM 2379 O ARG A 296 3.907 16.005 20.196 1.00 85.35 O +ATOM 2380 CB ARG A 296 4.255 15.647 16.969 1.00 86.68 C +ATOM 2381 CG ARG A 296 5.520 14.929 17.461 1.00 80.89 C +ATOM 2382 CD ARG A 296 6.663 15.051 16.444 1.00 80.03 C +ATOM 2383 NE ARG A 296 7.442 16.258 16.705 1.00 76.19 N +ATOM 2384 CZ ARG A 296 8.554 16.599 16.080 1.00 71.18 C +ATOM 2385 NH1 ARG A 296 9.002 15.912 15.085 1.00 65.97 N +ATOM 2386 NH2 ARG A 296 9.245 17.636 16.465 1.00 64.08 N1+ +ATOM 2387 N HIS A 297 3.027 17.724 19.087 1.00 80.39 N +ATOM 2388 CA HIS A 297 3.206 18.689 20.145 1.00 80.04 C +ATOM 2389 C HIS A 297 2.296 18.473 21.365 1.00 79.85 C +ATOM 2390 O HIS A 297 2.695 18.766 22.480 1.00 76.15 O +ATOM 2391 CB HIS A 297 3.064 20.098 19.585 1.00 76.77 C +ATOM 2392 CG HIS A 297 4.261 20.487 18.758 1.00 73.73 C +ATOM 2393 ND1 HIS A 297 5.583 20.569 19.222 1.00 64.19 N1+ +ATOM 2394 CD2 HIS A 297 4.282 20.833 17.430 1.00 64.99 C +ATOM 2395 CE1 HIS A 297 6.357 20.909 18.177 1.00 63.73 C +ATOM 2396 NE2 HIS A 297 5.602 21.082 17.073 1.00 63.58 N +ATOM 2397 N HIS A 298 1.132 17.872 21.189 1.00 71.85 N +ATOM 2398 CA HIS A 298 0.224 17.583 22.291 1.00 70.90 C +ATOM 2399 C HIS A 298 0.743 16.518 23.266 1.00 71.03 C +ATOM 2400 O HIS A 298 0.369 16.521 24.433 1.00 67.17 O +ATOM 2401 CB HIS A 298 -1.146 17.222 21.762 1.00 66.35 C +ATOM 2402 CG HIS A 298 -1.925 18.434 21.317 1.00 64.78 C +ATOM 2403 ND1 HIS A 298 -2.271 19.507 22.112 1.00 53.98 N1+ +ATOM 2404 CD2 HIS A 298 -2.439 18.671 20.066 1.00 54.50 C +ATOM 2405 CE1 HIS A 298 -2.970 20.374 21.390 1.00 52.06 C +ATOM 2406 NE2 HIS A 298 -3.102 19.910 20.117 1.00 55.11 N +ATOM 2407 N HIS A 299 1.644 15.627 22.826 1.00 63.65 N +ATOM 2408 CA HIS A 299 2.221 14.589 23.702 1.00 63.18 C +ATOM 2409 C HIS A 299 3.402 15.071 24.578 1.00 63.44 C +ATOM 2410 O HIS A 299 3.827 14.333 25.461 1.00 58.69 O +ATOM 2411 CB HIS A 299 2.592 13.377 22.877 1.00 58.64 C +ATOM 2412 CG HIS A 299 1.432 12.438 22.684 1.00 56.17 C +ATOM 2413 ND1 HIS A 299 0.784 11.758 23.718 1.00 48.11 N1+ +ATOM 2414 CD2 HIS A 299 0.789 12.076 21.512 1.00 48.53 C +ATOM 2415 CE1 HIS A 299 -0.199 11.021 23.184 1.00 46.55 C +ATOM 2416 NE2 HIS A 299 -0.209 11.190 21.846 1.00 48.90 N +ATOM 2417 N HIS A 300 3.923 16.284 24.369 1.00 57.20 N +ATOM 2418 CA HIS A 300 4.998 16.832 25.205 1.00 55.28 C +ATOM 2419 C HIS A 300 4.497 17.739 26.350 1.00 56.28 C +ATOM 2420 O HIS A 300 5.324 18.265 27.085 1.00 52.78 O +ATOM 2421 CB HIS A 300 6.020 17.526 24.320 1.00 50.90 C +ATOM 2422 CG HIS A 300 6.941 16.575 23.603 1.00 47.64 C +ATOM 2423 ND1 HIS A 300 7.500 15.415 24.134 1.00 41.90 N1+ +ATOM 2424 CD2 HIS A 300 7.425 16.683 22.321 1.00 41.22 C +ATOM 2425 CE1 HIS A 300 8.285 14.860 23.224 1.00 38.06 C +ATOM 2426 NE2 HIS A 300 8.274 15.600 22.090 1.00 41.98 N +ATOM 2427 N HIS A 301 3.192 17.905 26.463 1.00 59.78 N +ATOM 2428 CA HIS A 301 2.588 18.767 27.461 1.00 58.06 C +ATOM 2429 C HIS A 301 1.723 18.036 28.503 1.00 58.07 C +ATOM 2430 O HIS A 301 0.994 18.688 29.216 1.00 53.47 O +ATOM 2431 CB HIS A 301 1.837 19.900 26.782 1.00 53.58 C +ATOM 2432 CG HIS A 301 2.751 20.941 26.213 1.00 50.72 C +ATOM 2433 ND1 HIS A 301 3.713 21.653 26.910 1.00 44.24 N1+ +ATOM 2434 CD2 HIS A 301 2.781 21.412 24.918 1.00 43.33 C +ATOM 2435 CE1 HIS A 301 4.292 22.495 26.069 1.00 40.43 C +ATOM 2436 NE2 HIS A 301 3.768 22.389 24.852 1.00 42.55 N +ATOM 2437 N HIS A 302 1.806 16.727 28.573 1.00 52.41 N +ATOM 2438 CA HIS A 302 1.130 15.930 29.591 1.00 49.96 C +ATOM 2439 C HIS A 302 2.098 14.957 30.275 1.00 49.57 C +ATOM 2440 O HIS A 302 2.987 14.427 29.612 1.00 44.42 O +ATOM 2441 CB HIS A 302 -0.038 15.151 28.976 1.00 45.46 C +ATOM 2442 CG HIS A 302 -1.252 16.032 28.783 1.00 42.86 C +ATOM 2443 ND1 HIS A 302 -1.809 16.860 29.770 1.00 37.57 N1+ +ATOM 2444 CD2 HIS A 302 -2.031 16.190 27.684 1.00 36.06 C +ATOM 2445 CE1 HIS A 302 -2.897 17.436 29.248 1.00 33.86 C +ATOM 2446 NE2 HIS A 302 -3.040 17.070 27.982 1.00 36.51 N +HETATM 2447 C1 LIG Z 1 8.322 -10.499 10.953 1.00 89.40 C +HETATM 2448 C2 LIG Z 1 9.137 -9.750 9.942 1.00 92.07 C +HETATM 2449 C3 LIG Z 1 8.642 -9.800 8.511 1.00 93.39 C +HETATM 2450 O1 LIG Z 1 7.579 -10.412 8.242 1.00 91.55 O +HETATM 2451 N1 LIG Z 1 9.421 -9.113 7.600 1.00 94.31 N +HETATM 2452 C4 LIG Z 1 9.235 -9.009 6.243 1.00 94.66 C +HETATM 2453 C5 LIG Z 1 8.037 -9.391 5.690 1.00 93.92 C +HETATM 2454 C6 LIG Z 1 7.897 -9.223 4.310 1.00 93.56 C +HETATM 2455 N2 LIG Z 1 6.616 -9.524 3.850 1.00 91.34 N +HETATM 2456 C7 LIG Z 1 6.167 -9.429 2.604 1.00 91.82 C +HETATM 2457 O2 LIG Z 1 6.885 -9.133 1.613 1.00 89.75 O +HETATM 2458 C8 LIG Z 1 4.747 -9.686 2.375 1.00 90.64 C +HETATM 2459 C9 LIG Z 1 3.937 -8.661 1.880 1.00 87.46 C +HETATM 2460 CL1 LIG Z 1 4.580 -7.077 1.598 1.00 86.94 CL +HETATM 2461 C10 LIG Z 1 2.563 -8.871 1.627 1.00 86.82 C +HETATM 2462 C11 LIG Z 1 1.979 -10.100 1.882 1.00 86.48 C +HETATM 2463 C12 LIG Z 1 2.758 -11.142 2.404 1.00 85.54 C +HETATM 2464 C13 LIG Z 1 4.131 -10.925 2.652 1.00 87.55 C +HETATM 2465 CL2 LIG Z 1 5.029 -12.195 3.371 1.00 85.78 CL +HETATM 2466 C14 LIG Z 1 8.934 -8.711 3.524 1.00 93.78 C +HETATM 2467 C15 LIG Z 1 10.150 -8.355 4.168 1.00 94.36 C +HETATM 2468 N3 LIG Z 1 10.264 -8.491 5.498 1.00 94.88 N +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 +CONECT 2449 2448 2450 2451 +CONECT 2450 2449 +CONECT 2451 2449 2452 +CONECT 2452 2451 2453 2468 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2466 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2464 +CONECT 2459 2458 2460 2461 +CONECT 2460 2459 +CONECT 2461 2459 2462 +CONECT 2462 2461 2463 +CONECT 2463 2462 2464 +CONECT 2464 2463 2465 2458 +CONECT 2465 2464 +CONECT 2466 2454 2467 +CONECT 2467 2466 2468 +CONECT 2468 2467 2452 diff --git a/cookbook/assets/of3_output/lig_ejm_43_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_43_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..2c0550d --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_43_seed_42_sample_1_model.pdb @@ -0,0 +1,3094 @@ +ATOM 1 N MET A 1 44.818 -10.431 -12.967 1.00 35.10 N +ATOM 2 CA MET A 1 43.443 -10.411 -13.470 1.00 31.27 C +ATOM 3 C MET A 1 42.571 -10.138 -12.223 1.00 32.26 C +ATOM 4 O MET A 1 42.579 -10.958 -11.332 1.00 29.83 O +ATOM 5 CB MET A 1 43.093 -11.758 -14.100 1.00 29.20 C +ATOM 6 CG MET A 1 43.702 -11.928 -15.458 1.00 27.50 C +ATOM 7 SD MET A 1 43.479 -13.569 -16.196 1.00 24.17 S +ATOM 8 CE MET A 1 44.075 -13.295 -17.861 1.00 21.89 C +ATOM 9 N GLY A 2 41.927 -8.990 -12.205 1.00 34.42 N +ATOM 10 CA GLY A 2 41.015 -8.745 -11.136 1.00 32.20 C +ATOM 11 C GLY A 2 39.830 -9.725 -11.226 1.00 34.64 C +ATOM 12 O GLY A 2 39.388 -9.990 -12.347 1.00 33.25 O +ATOM 13 N SER A 3 39.375 -10.242 -10.126 1.00 42.63 N +ATOM 14 CA SER A 3 38.109 -11.002 -10.144 1.00 42.00 C +ATOM 15 C SER A 3 37.051 -10.096 -10.701 1.00 43.28 C +ATOM 16 O SER A 3 36.979 -8.942 -10.274 1.00 41.30 O +ATOM 17 CB SER A 3 37.742 -11.419 -8.706 1.00 37.77 C +ATOM 18 OG SER A 3 38.776 -12.234 -8.169 1.00 35.63 O +ATOM 19 N PRO A 4 36.259 -10.552 -11.666 1.00 47.61 N +ATOM 20 CA PRO A 4 35.130 -9.738 -12.122 1.00 45.85 C +ATOM 21 C PRO A 4 34.307 -9.389 -10.882 1.00 48.19 C +ATOM 22 O PRO A 4 34.002 -10.287 -10.090 1.00 44.65 O +ATOM 23 CB PRO A 4 34.381 -10.607 -13.120 1.00 40.64 C +ATOM 24 CG PRO A 4 34.778 -12.037 -12.731 1.00 39.91 C +ATOM 25 CD PRO A 4 36.205 -11.890 -12.201 1.00 40.83 C +ATOM 26 N ALA A 5 34.054 -8.107 -10.675 1.00 54.83 N +ATOM 27 CA ALA A 5 33.281 -7.668 -9.535 1.00 54.66 C +ATOM 28 C ALA A 5 31.968 -8.431 -9.558 1.00 56.83 C +ATOM 29 O ALA A 5 31.230 -8.332 -10.518 1.00 53.28 O +ATOM 30 CB ALA A 5 33.089 -6.158 -9.615 1.00 48.19 C +ATOM 31 N SER A 6 31.749 -9.216 -8.544 1.00 67.50 N +ATOM 32 CA SER A 6 30.521 -9.992 -8.449 1.00 68.24 C +ATOM 33 C SER A 6 29.361 -9.016 -8.434 1.00 69.90 C +ATOM 34 O SER A 6 29.353 -8.102 -7.601 1.00 65.50 O +ATOM 35 CB SER A 6 30.527 -10.817 -7.165 1.00 62.47 C +ATOM 36 OG SER A 6 29.336 -11.535 -7.023 1.00 55.83 O +ATOM 37 N ASP A 7 28.423 -9.176 -9.331 1.00 78.03 N +ATOM 38 CA ASP A 7 27.222 -8.356 -9.352 1.00 79.55 C +ATOM 39 C ASP A 7 26.500 -8.495 -8.007 1.00 81.36 C +ATOM 40 O ASP A 7 26.051 -9.600 -7.676 1.00 80.26 O +ATOM 41 CB ASP A 7 26.339 -8.754 -10.535 1.00 76.43 C +ATOM 42 CG ASP A 7 25.027 -7.953 -10.631 1.00 73.72 C +ATOM 43 OD1 ASP A 7 24.709 -7.159 -9.708 1.00 65.99 O +ATOM 44 OD2 ASP A 7 24.303 -8.175 -11.622 1.00 68.16 O +ATOM 45 N PRO A 8 26.375 -7.433 -7.206 1.00 85.36 N +ATOM 46 CA PRO A 8 25.812 -7.509 -5.867 1.00 85.89 C +ATOM 47 C PRO A 8 24.328 -7.845 -5.883 1.00 86.87 C +ATOM 48 O PRO A 8 23.757 -8.169 -4.834 1.00 84.25 O +ATOM 49 CB PRO A 8 26.115 -6.137 -5.260 1.00 82.42 C +ATOM 50 CG PRO A 8 26.091 -5.212 -6.468 1.00 79.51 C +ATOM 51 CD PRO A 8 26.770 -6.071 -7.550 1.00 82.65 C +ATOM 52 N THR A 9 23.687 -7.780 -7.045 1.00 89.45 N +ATOM 53 CA THR A 9 22.281 -8.185 -7.218 1.00 89.96 C +ATOM 54 C THR A 9 22.096 -9.678 -7.511 1.00 90.41 C +ATOM 55 O THR A 9 20.959 -10.146 -7.574 1.00 88.54 O +ATOM 56 CB THR A 9 21.607 -7.345 -8.311 1.00 88.48 C +ATOM 57 OG1 THR A 9 22.050 -7.690 -9.603 1.00 86.04 O +ATOM 58 CG2 THR A 9 21.822 -5.846 -8.103 1.00 85.93 C +ATOM 59 N VAL A 10 23.157 -10.427 -7.667 1.00 91.56 N +ATOM 60 CA VAL A 10 23.098 -11.875 -7.884 1.00 91.73 C +ATOM 61 C VAL A 10 23.324 -12.584 -6.559 1.00 92.23 C +ATOM 62 O VAL A 10 24.463 -12.658 -6.059 1.00 91.26 O +ATOM 63 CB VAL A 10 24.063 -12.338 -8.955 1.00 90.34 C +ATOM 64 CG1 VAL A 10 23.749 -11.692 -10.314 1.00 85.52 C +ATOM 65 CG2 VAL A 10 23.999 -13.858 -9.158 1.00 85.58 C +ATOM 66 N PHE A 11 22.307 -13.192 -6.048 1.00 92.31 N +ATOM 67 CA PHE A 11 22.353 -13.990 -4.834 1.00 92.64 C +ATOM 68 C PHE A 11 22.535 -15.478 -5.182 1.00 92.66 C +ATOM 69 O PHE A 11 21.817 -16.028 -6.007 1.00 91.99 O +ATOM 70 CB PHE A 11 21.098 -13.749 -3.991 1.00 92.73 C +ATOM 71 CG PHE A 11 21.126 -12.398 -3.273 1.00 93.57 C +ATOM 72 CD1 PHE A 11 21.352 -12.341 -1.888 1.00 92.67 C +ATOM 73 CD2 PHE A 11 20.937 -11.210 -3.987 1.00 92.46 C +ATOM 74 CE1 PHE A 11 21.411 -11.107 -1.228 1.00 91.88 C +ATOM 75 CE2 PHE A 11 21.020 -9.979 -3.333 1.00 92.38 C +ATOM 76 CZ PHE A 11 21.259 -9.921 -1.957 1.00 92.48 C +ATOM 77 N HIS A 12 23.462 -16.122 -4.519 1.00 91.45 N +ATOM 78 CA HIS A 12 23.716 -17.544 -4.737 1.00 91.36 C +ATOM 79 C HIS A 12 22.960 -18.394 -3.720 1.00 91.65 C +ATOM 80 O HIS A 12 23.177 -18.281 -2.507 1.00 90.56 O +ATOM 81 CB HIS A 12 25.203 -17.799 -4.689 1.00 90.08 C +ATOM 82 CG HIS A 12 25.960 -17.116 -5.807 1.00 88.30 C +ATOM 83 ND1 HIS A 12 25.928 -17.499 -7.121 1.00 80.30 N1+ +ATOM 84 CD2 HIS A 12 26.738 -16.020 -5.682 1.00 79.47 C +ATOM 85 CE1 HIS A 12 26.711 -16.642 -7.802 1.00 78.89 C +ATOM 86 NE2 HIS A 12 27.230 -15.730 -6.964 1.00 80.08 N +ATOM 87 N LYS A 13 22.169 -19.301 -4.203 1.00 90.33 N +ATOM 88 CA LYS A 13 21.313 -20.162 -3.370 1.00 90.57 C +ATOM 89 C LYS A 13 22.089 -20.940 -2.298 1.00 91.17 C +ATOM 90 O LYS A 13 21.560 -21.148 -1.204 1.00 89.68 O +ATOM 91 CB LYS A 13 20.502 -21.094 -4.279 1.00 88.34 C +ATOM 92 CG LYS A 13 19.375 -21.844 -3.561 1.00 77.58 C +ATOM 93 CD LYS A 13 18.454 -22.530 -4.575 1.00 73.31 C +ATOM 94 CE LYS A 13 17.213 -23.120 -3.894 1.00 66.93 C +ATOM 95 NZ LYS A 13 16.141 -23.475 -4.875 1.00 60.33 N1+ +ATOM 96 N ARG A 14 23.315 -21.289 -2.571 1.00 89.75 N +ATOM 97 CA ARG A 14 24.198 -21.998 -1.610 1.00 89.46 C +ATOM 98 C ARG A 14 24.531 -21.194 -0.350 1.00 89.92 C +ATOM 99 O ARG A 14 24.868 -21.813 0.660 1.00 88.22 O +ATOM 100 CB ARG A 14 25.499 -22.429 -2.318 1.00 87.88 C +ATOM 101 CG ARG A 14 26.393 -21.253 -2.759 1.00 81.91 C +ATOM 102 CD ARG A 14 27.666 -21.739 -3.459 1.00 78.48 C +ATOM 103 NE ARG A 14 28.505 -20.625 -3.894 1.00 73.24 N +ATOM 104 CZ ARG A 14 28.488 -20.032 -5.092 1.00 67.89 C +ATOM 105 NH1 ARG A 14 27.672 -20.415 -6.035 1.00 62.20 N +ATOM 106 NH2 ARG A 14 29.286 -19.055 -5.348 1.00 61.52 N1+ +ATOM 107 N TYR A 15 24.439 -19.869 -0.408 1.00 91.07 N +ATOM 108 CA TYR A 15 24.670 -18.982 0.739 1.00 91.32 C +ATOM 109 C TYR A 15 23.376 -18.519 1.423 1.00 91.66 C +ATOM 110 O TYR A 15 23.443 -17.815 2.430 1.00 90.68 O +ATOM 111 CB TYR A 15 25.495 -17.779 0.271 1.00 90.84 C +ATOM 112 CG TYR A 15 26.822 -18.126 -0.381 1.00 90.63 C +ATOM 113 CD1 TYR A 15 27.715 -18.999 0.250 1.00 88.12 C +ATOM 114 CD2 TYR A 15 27.155 -17.538 -1.611 1.00 87.56 C +ATOM 115 CE1 TYR A 15 28.955 -19.305 -0.333 1.00 86.31 C +ATOM 116 CE2 TYR A 15 28.403 -17.828 -2.207 1.00 87.05 C +ATOM 117 CZ TYR A 15 29.284 -18.700 -1.565 1.00 87.36 C +ATOM 118 OH TYR A 15 30.531 -18.971 -2.136 1.00 85.25 O +ATOM 119 N LEU A 16 22.222 -18.871 0.891 1.00 91.78 N +ATOM 120 CA LEU A 16 20.930 -18.592 1.485 1.00 92.15 C +ATOM 121 C LEU A 16 20.531 -19.707 2.457 1.00 92.06 C +ATOM 122 O LEU A 16 20.238 -20.841 2.038 1.00 90.86 O +ATOM 123 CB LEU A 16 19.878 -18.393 0.380 1.00 91.70 C +ATOM 124 CG LEU A 16 19.946 -17.044 -0.340 1.00 90.10 C +ATOM 125 CD1 LEU A 16 19.017 -17.066 -1.549 1.00 89.04 C +ATOM 126 CD2 LEU A 16 19.482 -15.896 0.573 1.00 88.47 C +ATOM 127 N LYS A 17 20.501 -19.397 3.719 1.00 92.33 N +ATOM 128 CA LYS A 17 20.051 -20.280 4.781 1.00 92.04 C +ATOM 129 C LYS A 17 18.668 -19.868 5.238 1.00 92.19 C +ATOM 130 O LYS A 17 18.502 -18.820 5.854 1.00 91.06 O +ATOM 131 CB LYS A 17 21.069 -20.264 5.935 1.00 90.61 C +ATOM 132 CG LYS A 17 22.436 -20.805 5.502 1.00 84.26 C +ATOM 133 CD LYS A 17 23.512 -20.643 6.580 1.00 80.58 C +ATOM 134 CE LYS A 17 24.870 -21.082 6.015 1.00 75.42 C +ATOM 135 NZ LYS A 17 26.015 -20.608 6.851 1.00 66.75 N1+ +ATOM 136 N LYS A 18 17.665 -20.673 4.955 1.00 91.54 N +ATOM 137 CA LYS A 18 16.298 -20.394 5.387 1.00 91.57 C +ATOM 138 C LYS A 18 16.202 -20.442 6.916 1.00 91.52 C +ATOM 139 O LYS A 18 16.648 -21.408 7.528 1.00 90.50 O +ATOM 140 CB LYS A 18 15.324 -21.381 4.729 1.00 90.85 C +ATOM 141 CG LYS A 18 13.862 -21.014 5.057 1.00 87.87 C +ATOM 142 CD LYS A 18 12.841 -21.928 4.326 1.00 85.87 C +ATOM 143 CE LYS A 18 11.465 -21.483 4.777 1.00 81.86 C +ATOM 144 NZ LYS A 18 10.339 -22.181 4.117 1.00 76.86 N1+ +ATOM 145 N ILE A 19 15.540 -19.426 7.476 1.00 91.85 N +ATOM 146 CA ILE A 19 15.272 -19.323 8.910 1.00 91.90 C +ATOM 147 C ILE A 19 13.822 -19.665 9.201 1.00 91.96 C +ATOM 148 O ILE A 19 13.543 -20.570 10.007 1.00 91.23 O +ATOM 149 CB ILE A 19 15.655 -17.918 9.424 1.00 91.35 C +ATOM 150 CG1 ILE A 19 17.155 -17.627 9.152 1.00 89.46 C +ATOM 151 CG2 ILE A 19 15.340 -17.780 10.926 1.00 88.56 C +ATOM 152 CD1 ILE A 19 17.599 -16.216 9.535 1.00 84.57 C +ATOM 153 N ARG A 20 12.873 -18.991 8.550 1.00 89.84 N +ATOM 154 CA ARG A 20 11.439 -19.214 8.759 1.00 89.37 C +ATOM 155 C ARG A 20 10.607 -18.645 7.605 1.00 89.79 C +ATOM 156 O ARG A 20 11.085 -17.806 6.875 1.00 88.69 O +ATOM 157 CB ARG A 20 10.987 -18.603 10.091 1.00 88.11 C +ATOM 158 CG ARG A 20 11.156 -17.088 10.172 1.00 84.03 C +ATOM 159 CD ARG A 20 10.731 -16.544 11.540 1.00 81.24 C +ATOM 160 NE ARG A 20 10.786 -15.083 11.581 1.00 78.10 N +ATOM 161 CZ ARG A 20 10.700 -14.304 12.646 1.00 75.47 C +ATOM 162 NH1 ARG A 20 10.597 -14.814 13.839 1.00 71.33 N +ATOM 163 NH2 ARG A 20 10.732 -13.024 12.541 1.00 70.54 N1+ +ATOM 164 N ASP A 21 9.363 -19.039 7.540 1.00 90.18 N +ATOM 165 CA ASP A 21 8.391 -18.398 6.672 1.00 90.54 C +ATOM 166 C ASP A 21 7.894 -17.100 7.305 1.00 90.78 C +ATOM 167 O ASP A 21 7.706 -17.021 8.516 1.00 89.68 O +ATOM 168 CB ASP A 21 7.259 -19.386 6.369 1.00 89.52 C +ATOM 169 CG ASP A 21 7.760 -20.610 5.605 1.00 86.76 C +ATOM 170 OD1 ASP A 21 8.657 -20.481 4.749 1.00 82.02 O +ATOM 171 OD2 ASP A 21 7.255 -21.732 5.842 1.00 80.33 O +ATOM 172 N LEU A 22 7.707 -16.097 6.475 1.00 90.64 N +ATOM 173 CA LEU A 22 7.169 -14.791 6.876 1.00 90.72 C +ATOM 174 C LEU A 22 5.702 -14.632 6.487 1.00 90.46 C +ATOM 175 O LEU A 22 4.962 -13.953 7.177 1.00 89.55 O +ATOM 176 CB LEU A 22 8.010 -13.666 6.241 1.00 91.15 C +ATOM 177 CG LEU A 22 9.481 -13.616 6.681 1.00 91.88 C +ATOM 178 CD1 LEU A 22 10.187 -12.474 5.968 1.00 91.30 C +ATOM 179 CD2 LEU A 22 9.629 -13.390 8.186 1.00 90.81 C +ATOM 180 N GLY A 23 5.288 -15.256 5.412 1.00 85.23 N +ATOM 181 CA GLY A 23 3.911 -15.244 4.950 1.00 84.41 C +ATOM 182 C GLY A 23 3.780 -15.522 3.461 1.00 84.84 C +ATOM 183 O GLY A 23 4.734 -15.899 2.794 1.00 83.81 O +ATOM 184 N GLU A 24 2.588 -15.322 2.948 1.00 80.66 N +ATOM 185 CA GLU A 24 2.305 -15.426 1.527 1.00 80.75 C +ATOM 186 C GLU A 24 1.861 -14.070 0.980 1.00 80.84 C +ATOM 187 O GLU A 24 1.009 -13.391 1.563 1.00 77.58 O +ATOM 188 CB GLU A 24 1.265 -16.511 1.235 1.00 78.02 C +ATOM 189 CG GLU A 24 1.749 -17.904 1.628 1.00 73.11 C +ATOM 190 CD GLU A 24 0.915 -19.041 1.036 1.00 70.17 C +ATOM 191 OE1 GLU A 24 1.366 -20.205 1.135 1.00 59.64 O +ATOM 192 OE2 GLU A 24 -0.152 -18.777 0.438 1.00 59.47 O +ATOM 193 N GLY A 25 2.448 -13.652 -0.112 1.00 79.46 N +ATOM 194 CA GLY A 25 2.044 -12.518 -0.915 1.00 79.51 C +ATOM 195 C GLY A 25 1.404 -12.971 -2.222 1.00 81.43 C +ATOM 196 O GLY A 25 1.158 -14.163 -2.443 1.00 78.42 O +ATOM 197 N HIS A 26 1.148 -12.016 -3.119 1.00 78.07 N +ATOM 198 CA HIS A 26 0.682 -12.384 -4.456 1.00 77.53 C +ATOM 199 C HIS A 26 1.739 -13.221 -5.179 1.00 78.40 C +ATOM 200 O HIS A 26 2.933 -12.962 -5.079 1.00 75.16 O +ATOM 201 CB HIS A 26 0.317 -11.126 -5.241 1.00 74.31 C +ATOM 202 CG HIS A 26 -1.040 -11.238 -5.848 1.00 74.03 C +ATOM 203 ND1 HIS A 26 -1.318 -11.806 -7.084 1.00 61.36 N1+ +ATOM 204 CD2 HIS A 26 -2.236 -10.852 -5.293 1.00 63.74 C +ATOM 205 CE1 HIS A 26 -2.655 -11.753 -7.267 1.00 62.52 C +ATOM 206 NE2 HIS A 26 -3.237 -11.180 -6.206 1.00 63.03 N +ATOM 207 N PHE A 27 1.316 -14.232 -5.887 1.00 77.78 N +ATOM 208 CA PHE A 27 2.115 -15.195 -6.676 1.00 78.72 C +ATOM 209 C PHE A 27 3.103 -16.093 -5.932 1.00 79.05 C +ATOM 210 O PHE A 27 3.632 -17.017 -6.534 1.00 72.49 O +ATOM 211 CB PHE A 27 2.841 -14.475 -7.818 1.00 73.80 C +ATOM 212 CG PHE A 27 1.967 -13.552 -8.624 1.00 75.71 C +ATOM 213 CD1 PHE A 27 0.847 -14.053 -9.289 1.00 69.25 C +ATOM 214 CD2 PHE A 27 2.257 -12.180 -8.699 1.00 70.89 C +ATOM 215 CE1 PHE A 27 0.020 -13.196 -10.035 1.00 65.62 C +ATOM 216 CE2 PHE A 27 1.428 -11.326 -9.431 1.00 68.88 C +ATOM 217 CZ PHE A 27 0.312 -11.839 -10.104 1.00 68.75 C +ATOM 218 N GLY A 28 3.362 -15.875 -4.645 1.00 80.91 N +ATOM 219 CA GLY A 28 4.400 -16.654 -3.979 1.00 81.48 C +ATOM 220 C GLY A 28 4.430 -16.556 -2.479 1.00 82.92 C +ATOM 221 O GLY A 28 3.586 -15.967 -1.832 1.00 80.82 O +ATOM 222 N LYS A 29 5.443 -17.186 -1.938 1.00 87.71 N +ATOM 223 CA LYS A 29 5.728 -17.269 -0.517 1.00 88.26 C +ATOM 224 C LYS A 29 6.939 -16.419 -0.174 1.00 88.97 C +ATOM 225 O LYS A 29 7.948 -16.494 -0.871 1.00 87.12 O +ATOM 226 CB LYS A 29 5.934 -18.735 -0.154 1.00 85.95 C +ATOM 227 CG LYS A 29 5.939 -18.944 1.355 1.00 78.46 C +ATOM 228 CD LYS A 29 6.097 -20.428 1.686 1.00 73.35 C +ATOM 229 CE LYS A 29 5.780 -20.625 3.151 1.00 67.50 C +ATOM 230 NZ LYS A 29 6.021 -22.016 3.597 1.00 61.95 N1+ +ATOM 231 N VAL A 30 6.883 -15.669 0.912 1.00 91.52 N +ATOM 232 CA VAL A 30 7.996 -14.888 1.442 1.00 91.74 C +ATOM 233 C VAL A 30 8.563 -15.591 2.658 1.00 91.80 C +ATOM 234 O VAL A 30 7.840 -15.968 3.573 1.00 91.21 O +ATOM 235 CB VAL A 30 7.596 -13.446 1.771 1.00 91.27 C +ATOM 236 CG1 VAL A 30 6.936 -12.763 0.564 1.00 90.42 C +ATOM 237 CG2 VAL A 30 8.824 -12.622 2.162 1.00 90.28 C +ATOM 238 N SER A 31 9.870 -15.771 2.671 1.00 93.30 N +ATOM 239 CA SER A 31 10.594 -16.394 3.772 1.00 93.29 C +ATOM 240 C SER A 31 11.782 -15.534 4.192 1.00 93.49 C +ATOM 241 O SER A 31 12.400 -14.867 3.375 1.00 92.75 O +ATOM 242 CB SER A 31 11.072 -17.794 3.390 1.00 92.60 C +ATOM 243 OG SER A 31 9.975 -18.614 2.981 1.00 89.84 O +ATOM 244 N LEU A 32 12.120 -15.575 5.468 1.00 93.30 N +ATOM 245 CA LEU A 32 13.343 -14.996 5.999 1.00 93.47 C +ATOM 246 C LEU A 32 14.508 -15.946 5.732 1.00 93.49 C +ATOM 247 O LEU A 32 14.419 -17.132 6.056 1.00 93.00 O +ATOM 248 CB LEU A 32 13.149 -14.716 7.493 1.00 93.33 C +ATOM 249 CG LEU A 32 14.406 -14.158 8.198 1.00 92.62 C +ATOM 250 CD1 LEU A 32 14.130 -14.025 9.701 1.00 91.95 C +ATOM 251 CD2 LEU A 32 14.805 -12.790 7.674 1.00 91.80 C +ATOM 252 N TYR A 33 15.558 -15.391 5.193 1.00 93.72 N +ATOM 253 CA TYR A 33 16.840 -16.097 5.017 1.00 93.70 C +ATOM 254 C TYR A 33 17.968 -15.267 5.607 1.00 93.77 C +ATOM 255 O TYR A 33 17.925 -14.055 5.659 1.00 93.32 O +ATOM 256 CB TYR A 33 17.096 -16.332 3.519 1.00 93.33 C +ATOM 257 CG TYR A 33 16.263 -17.441 2.893 1.00 93.00 C +ATOM 258 CD1 TYR A 33 16.862 -18.667 2.591 1.00 91.76 C +ATOM 259 CD2 TYR A 33 14.904 -17.240 2.592 1.00 91.58 C +ATOM 260 CE1 TYR A 33 16.121 -19.700 1.993 1.00 90.66 C +ATOM 261 CE2 TYR A 33 14.146 -18.260 2.003 1.00 90.65 C +ATOM 262 CZ TYR A 33 14.756 -19.497 1.699 1.00 90.89 C +ATOM 263 OH TYR A 33 14.031 -20.513 1.094 1.00 89.82 O +ATOM 264 N CYS A 34 19.017 -15.931 6.017 1.00 93.29 N +ATOM 265 CA CYS A 34 20.344 -15.349 6.186 1.00 93.32 C +ATOM 266 C CYS A 34 21.143 -15.589 4.902 1.00 93.43 C +ATOM 267 O CYS A 34 21.257 -16.729 4.465 1.00 92.42 O +ATOM 268 CB CYS A 34 20.988 -16.001 7.399 1.00 92.14 C +ATOM 269 SG CYS A 34 22.631 -15.296 7.720 1.00 88.05 S +ATOM 270 N TYR A 35 21.658 -14.518 4.312 1.00 92.00 N +ATOM 271 CA TYR A 35 22.600 -14.612 3.188 1.00 91.98 C +ATOM 272 C TYR A 35 24.019 -14.429 3.711 1.00 91.58 C +ATOM 273 O TYR A 35 24.409 -13.340 4.099 1.00 90.81 O +ATOM 274 CB TYR A 35 22.256 -13.579 2.125 1.00 92.15 C +ATOM 275 CG TYR A 35 23.096 -13.769 0.880 1.00 93.05 C +ATOM 276 CD1 TYR A 35 22.920 -14.918 0.083 1.00 92.38 C +ATOM 277 CD2 TYR A 35 24.078 -12.826 0.521 1.00 92.47 C +ATOM 278 CE1 TYR A 35 23.680 -15.112 -1.078 1.00 92.01 C +ATOM 279 CE2 TYR A 35 24.846 -13.012 -0.651 1.00 92.07 C +ATOM 280 CZ TYR A 35 24.638 -14.165 -1.439 1.00 92.24 C +ATOM 281 OH TYR A 35 25.375 -14.349 -2.598 1.00 91.14 O +ATOM 282 N ASP A 36 24.779 -15.498 3.735 1.00 88.93 N +ATOM 283 CA ASP A 36 26.107 -15.554 4.326 1.00 89.14 C +ATOM 284 C ASP A 36 27.142 -16.075 3.320 1.00 88.87 C +ATOM 285 O ASP A 36 27.510 -17.262 3.320 1.00 87.65 O +ATOM 286 CB ASP A 36 26.016 -16.422 5.593 1.00 88.43 C +ATOM 287 CG ASP A 36 27.302 -16.404 6.426 1.00 89.24 C +ATOM 288 OD1 ASP A 36 28.206 -15.609 6.122 1.00 85.32 O +ATOM 289 OD2 ASP A 36 27.348 -17.203 7.383 1.00 84.55 O +ATOM 290 N PRO A 37 27.647 -15.213 2.422 1.00 87.87 N +ATOM 291 CA PRO A 37 28.589 -15.619 1.382 1.00 87.33 C +ATOM 292 C PRO A 37 29.977 -15.946 1.926 1.00 87.18 C +ATOM 293 O PRO A 37 30.728 -16.708 1.281 1.00 84.35 O +ATOM 294 CB PRO A 37 28.638 -14.461 0.393 1.00 85.55 C +ATOM 295 CG PRO A 37 28.271 -13.266 1.243 1.00 84.30 C +ATOM 296 CD PRO A 37 27.258 -13.824 2.229 1.00 86.71 C +ATOM 297 N THR A 38 30.337 -15.419 3.074 1.00 85.72 N +ATOM 298 CA THR A 38 31.616 -15.716 3.732 1.00 85.13 C +ATOM 299 C THR A 38 31.593 -16.935 4.633 1.00 84.95 C +ATOM 300 O THR A 38 32.628 -17.521 4.949 1.00 82.09 O +ATOM 301 CB THR A 38 32.122 -14.514 4.554 1.00 82.86 C +ATOM 302 OG1 THR A 38 31.106 -14.053 5.400 1.00 77.83 O +ATOM 303 CG2 THR A 38 32.480 -13.330 3.654 1.00 78.27 C +ATOM 304 N ASN A 39 30.390 -17.373 4.967 1.00 81.86 N +ATOM 305 CA ASN A 39 30.143 -18.573 5.800 1.00 81.46 C +ATOM 306 C ASN A 39 30.728 -18.452 7.213 1.00 81.66 C +ATOM 307 O ASN A 39 31.113 -19.467 7.810 1.00 78.42 O +ATOM 308 CB ASN A 39 30.520 -19.821 5.007 1.00 78.55 C +ATOM 309 CG ASN A 39 29.420 -20.893 4.982 1.00 76.37 C +ATOM 310 OD1 ASN A 39 28.376 -20.841 5.603 1.00 68.20 O +ATOM 311 ND2 ASN A 39 29.691 -21.929 4.205 1.00 67.68 N +ATOM 312 N ASP A 40 30.825 -17.235 7.695 1.00 81.08 N +ATOM 313 CA ASP A 40 31.436 -16.909 9.017 1.00 80.48 C +ATOM 314 C ASP A 40 30.359 -16.547 10.087 1.00 80.95 C +ATOM 315 O ASP A 40 30.677 -16.231 11.219 1.00 77.19 O +ATOM 316 CB ASP A 40 32.456 -15.798 8.830 1.00 78.34 C +ATOM 317 CG ASP A 40 31.841 -14.475 8.330 1.00 78.35 C +ATOM 318 OD1 ASP A 40 30.597 -14.364 8.258 1.00 71.88 O +ATOM 319 OD2 ASP A 40 32.642 -13.536 8.051 1.00 72.73 O +ATOM 320 N GLY A 41 29.104 -16.626 9.735 1.00 79.44 N +ATOM 321 CA GLY A 41 28.005 -16.301 10.640 1.00 79.42 C +ATOM 322 C GLY A 41 27.647 -14.807 10.689 1.00 81.16 C +ATOM 323 O GLY A 41 26.729 -14.443 11.424 1.00 78.28 O +ATOM 324 N THR A 42 28.280 -13.981 9.872 1.00 83.29 N +ATOM 325 CA THR A 42 27.986 -12.517 9.789 1.00 83.34 C +ATOM 326 C THR A 42 26.994 -12.169 8.690 1.00 83.98 C +ATOM 327 O THR A 42 26.880 -11.022 8.260 1.00 80.44 O +ATOM 328 CB THR A 42 29.265 -11.699 9.627 1.00 81.09 C +ATOM 329 OG1 THR A 42 29.903 -11.932 8.410 1.00 76.69 O +ATOM 330 CG2 THR A 42 30.259 -11.971 10.756 1.00 76.40 C +ATOM 331 N GLY A 43 26.275 -13.148 8.177 1.00 87.11 N +ATOM 332 CA GLY A 43 25.369 -12.983 7.056 1.00 87.39 C +ATOM 333 C GLY A 43 24.246 -11.986 7.257 1.00 88.41 C +ATOM 334 O GLY A 43 23.771 -11.735 8.365 1.00 86.48 O +ATOM 335 N GLU A 44 23.795 -11.434 6.169 1.00 90.51 N +ATOM 336 CA GLU A 44 22.729 -10.446 6.139 1.00 91.02 C +ATOM 337 C GLU A 44 21.361 -11.130 6.164 1.00 91.94 C +ATOM 338 O GLU A 44 21.111 -12.078 5.404 1.00 90.24 O +ATOM 339 CB GLU A 44 22.893 -9.563 4.904 1.00 88.78 C +ATOM 340 CG GLU A 44 21.867 -8.443 4.860 1.00 77.87 C +ATOM 341 CD GLU A 44 21.937 -7.532 3.630 1.00 73.59 C +ATOM 342 OE1 GLU A 44 21.228 -6.515 3.636 1.00 63.48 O +ATOM 343 OE2 GLU A 44 22.665 -7.824 2.674 1.00 60.08 O +ATOM 344 N MET A 45 20.418 -10.601 6.929 1.00 93.83 N +ATOM 345 CA MET A 45 19.023 -11.031 6.874 1.00 94.05 C +ATOM 346 C MET A 45 18.348 -10.447 5.642 1.00 94.51 C +ATOM 347 O MET A 45 18.383 -9.250 5.406 1.00 93.71 O +ATOM 348 CB MET A 45 18.285 -10.622 8.145 1.00 93.05 C +ATOM 349 CG MET A 45 18.872 -11.307 9.387 1.00 89.20 C +ATOM 350 SD MET A 45 18.730 -13.100 9.352 1.00 87.99 S +ATOM 351 CE MET A 45 20.166 -13.525 10.335 1.00 80.70 C +ATOM 352 N VAL A 46 17.690 -11.289 4.878 1.00 94.99 N +ATOM 353 CA VAL A 46 16.959 -10.920 3.665 1.00 95.07 C +ATOM 354 C VAL A 46 15.595 -11.590 3.627 1.00 95.14 C +ATOM 355 O VAL A 46 15.398 -12.696 4.117 1.00 94.85 O +ATOM 356 CB VAL A 46 17.752 -11.234 2.391 1.00 94.95 C +ATOM 357 CG1 VAL A 46 19.041 -10.406 2.312 1.00 94.54 C +ATOM 358 CG2 VAL A 46 18.107 -12.700 2.238 1.00 94.47 C +ATOM 359 N ALA A 47 14.628 -10.911 3.031 1.00 94.80 N +ATOM 360 CA ALA A 47 13.342 -11.509 2.698 1.00 94.67 C +ATOM 361 C ALA A 47 13.395 -12.040 1.266 1.00 94.73 C +ATOM 362 O ALA A 47 13.701 -11.324 0.333 1.00 94.54 O +ATOM 363 CB ALA A 47 12.241 -10.479 2.918 1.00 94.53 C +ATOM 364 N VAL A 48 13.067 -13.285 1.083 1.00 94.53 N +ATOM 365 CA VAL A 48 13.091 -13.952 -0.222 1.00 94.49 C +ATOM 366 C VAL A 48 11.679 -14.360 -0.597 1.00 94.27 C +ATOM 367 O VAL A 48 11.060 -15.160 0.090 1.00 93.92 O +ATOM 368 CB VAL A 48 14.039 -15.144 -0.234 1.00 94.47 C +ATOM 369 CG1 VAL A 48 15.450 -14.730 0.179 1.00 94.03 C +ATOM 370 CG2 VAL A 48 14.102 -15.771 -1.620 1.00 94.08 C +ATOM 371 N LYS A 49 11.175 -13.807 -1.692 1.00 92.31 N +ATOM 372 CA LYS A 49 9.902 -14.197 -2.277 1.00 92.08 C +ATOM 373 C LYS A 49 10.135 -15.183 -3.417 1.00 91.92 C +ATOM 374 O LYS A 49 10.873 -14.889 -4.355 1.00 91.41 O +ATOM 375 CB LYS A 49 9.114 -12.950 -2.706 1.00 91.63 C +ATOM 376 CG LYS A 49 7.659 -13.256 -3.097 1.00 90.54 C +ATOM 377 CD LYS A 49 6.897 -11.943 -3.356 1.00 89.25 C +ATOM 378 CE LYS A 49 5.426 -12.176 -3.684 1.00 87.17 C +ATOM 379 NZ LYS A 49 4.695 -10.914 -3.988 1.00 83.64 N1+ +ATOM 380 N ALA A 50 9.508 -16.323 -3.322 1.00 91.21 N +ATOM 381 CA ALA A 50 9.599 -17.395 -4.305 1.00 90.91 C +ATOM 382 C ALA A 50 8.230 -17.647 -4.944 1.00 90.73 C +ATOM 383 O ALA A 50 7.213 -17.731 -4.246 1.00 89.26 O +ATOM 384 CB ALA A 50 10.133 -18.650 -3.612 1.00 89.92 C +ATOM 385 N LEU A 51 8.200 -17.786 -6.233 1.00 83.05 N +ATOM 386 CA LEU A 51 7.000 -18.205 -6.963 1.00 83.06 C +ATOM 387 C LEU A 51 6.697 -19.670 -6.640 1.00 82.24 C +ATOM 388 O LEU A 51 7.607 -20.500 -6.577 1.00 80.60 O +ATOM 389 CB LEU A 51 7.248 -18.000 -8.467 1.00 81.81 C +ATOM 390 CG LEU A 51 6.014 -18.255 -9.363 1.00 79.51 C +ATOM 391 CD1 LEU A 51 6.412 -18.210 -10.829 1.00 78.47 C +ATOM 392 CD2 LEU A 51 4.936 -17.216 -9.134 1.00 77.76 C +ATOM 393 N LYS A 52 5.436 -19.997 -6.502 1.00 80.13 N +ATOM 394 CA LYS A 52 5.003 -21.388 -6.307 1.00 79.09 C +ATOM 395 C LYS A 52 5.407 -22.264 -7.510 1.00 78.80 C +ATOM 396 O LYS A 52 5.319 -21.822 -8.642 1.00 76.42 O +ATOM 397 CB LYS A 52 3.488 -21.459 -6.068 1.00 76.03 C +ATOM 398 CG LYS A 52 3.106 -20.738 -4.761 1.00 71.40 C +ATOM 399 CD LYS A 52 1.588 -20.808 -4.503 1.00 67.10 C +ATOM 400 CE LYS A 52 1.279 -20.083 -3.195 1.00 60.20 C +ATOM 401 NZ LYS A 52 -0.170 -20.103 -2.846 1.00 55.04 N1+ +ATOM 402 N ALA A 53 5.844 -23.461 -7.231 1.00 80.00 N +ATOM 403 CA ALA A 53 6.385 -24.354 -8.265 1.00 79.56 C +ATOM 404 C ALA A 53 5.361 -24.749 -9.336 1.00 79.53 C +ATOM 405 O ALA A 53 5.734 -24.953 -10.505 1.00 76.74 O +ATOM 406 CB ALA A 53 6.974 -25.580 -7.574 1.00 77.77 C +ATOM 407 N ASP A 54 4.140 -24.855 -8.972 1.00 78.72 N +ATOM 408 CA ASP A 54 2.988 -25.203 -9.821 1.00 78.87 C +ATOM 409 C ASP A 54 2.351 -23.988 -10.510 1.00 79.77 C +ATOM 410 O ASP A 54 1.334 -24.139 -11.198 1.00 76.61 O +ATOM 411 CB ASP A 54 1.983 -25.980 -8.970 1.00 76.51 C +ATOM 412 CG ASP A 54 1.398 -25.170 -7.799 1.00 75.69 C +ATOM 413 OD1 ASP A 54 2.077 -24.240 -7.316 1.00 67.37 O +ATOM 414 OD2 ASP A 54 0.271 -25.517 -7.350 1.00 67.78 O +ATOM 415 N ALA A 55 2.924 -22.824 -10.377 1.00 79.48 N +ATOM 416 CA ALA A 55 2.410 -21.614 -10.993 1.00 80.51 C +ATOM 417 C ALA A 55 2.398 -21.705 -12.517 1.00 81.21 C +ATOM 418 O ALA A 55 3.407 -21.983 -13.168 1.00 77.37 O +ATOM 419 CB ALA A 55 3.237 -20.435 -10.515 1.00 77.42 C +ATOM 420 N GLY A 56 1.249 -21.408 -13.091 1.00 78.52 N +ATOM 421 CA GLY A 56 1.041 -21.398 -14.524 1.00 78.63 C +ATOM 422 C GLY A 56 1.801 -20.287 -15.256 1.00 80.03 C +ATOM 423 O GLY A 56 2.322 -19.373 -14.619 1.00 78.84 O +ATOM 424 N PRO A 57 1.806 -20.292 -16.568 1.00 82.45 N +ATOM 425 CA PRO A 57 2.528 -19.305 -17.379 1.00 82.42 C +ATOM 426 C PRO A 57 2.140 -17.866 -17.086 1.00 83.41 C +ATOM 427 O PRO A 57 2.995 -16.979 -17.074 1.00 82.37 O +ATOM 428 CB PRO A 57 2.208 -19.687 -18.845 1.00 80.29 C +ATOM 429 CG PRO A 57 1.941 -21.170 -18.771 1.00 80.24 C +ATOM 430 CD PRO A 57 1.263 -21.343 -17.420 1.00 82.93 C +ATOM 431 N GLN A 58 0.880 -17.633 -16.802 1.00 81.93 N +ATOM 432 CA GLN A 58 0.353 -16.308 -16.497 1.00 82.36 C +ATOM 433 C GLN A 58 0.928 -15.747 -15.190 1.00 82.72 C +ATOM 434 O GLN A 58 1.373 -14.611 -15.160 1.00 80.26 O +ATOM 435 CB GLN A 58 -1.173 -16.429 -16.444 1.00 79.91 C +ATOM 436 CG GLN A 58 -1.867 -15.105 -16.726 1.00 75.54 C +ATOM 437 CD GLN A 58 -3.393 -15.318 -16.766 1.00 71.15 C +ATOM 438 OE1 GLN A 58 -3.913 -16.254 -16.195 1.00 60.68 O +ATOM 439 NE2 GLN A 58 -4.110 -14.466 -17.421 1.00 59.02 N +ATOM 440 N HIS A 59 1.032 -16.580 -14.193 1.00 83.23 N +ATOM 441 CA HIS A 59 1.667 -16.216 -12.914 1.00 83.96 C +ATOM 442 C HIS A 59 3.159 -16.001 -13.071 1.00 84.66 C +ATOM 443 O HIS A 59 3.704 -15.077 -12.452 1.00 83.01 O +ATOM 444 CB HIS A 59 1.389 -17.279 -11.864 1.00 82.22 C +ATOM 445 CG HIS A 59 -0.046 -17.326 -11.433 1.00 82.15 C +ATOM 446 ND1 HIS A 59 -0.803 -16.244 -11.034 1.00 71.38 N1+ +ATOM 447 CD2 HIS A 59 -0.831 -18.427 -11.323 1.00 72.16 C +ATOM 448 CE1 HIS A 59 -2.020 -16.683 -10.698 1.00 71.35 C +ATOM 449 NE2 HIS A 59 -2.077 -18.007 -10.868 1.00 73.01 N +ATOM 450 N ARG A 60 3.819 -16.747 -13.924 1.00 82.58 N +ATOM 451 CA ARG A 60 5.240 -16.541 -14.243 1.00 83.14 C +ATOM 452 C ARG A 60 5.496 -15.218 -14.941 1.00 83.77 C +ATOM 453 O ARG A 60 6.500 -14.566 -14.648 1.00 83.87 O +ATOM 454 CB ARG A 60 5.767 -17.695 -15.097 1.00 82.48 C +ATOM 455 CG ARG A 60 5.789 -19.008 -14.311 1.00 79.74 C +ATOM 456 CD ARG A 60 6.274 -20.161 -15.192 1.00 80.52 C +ATOM 457 NE ARG A 60 6.304 -21.438 -14.451 1.00 76.54 N +ATOM 458 CZ ARG A 60 7.272 -21.849 -13.643 1.00 71.75 C +ATOM 459 NH1 ARG A 60 8.383 -21.206 -13.492 1.00 67.38 N +ATOM 460 NH2 ARG A 60 7.116 -22.950 -12.982 1.00 68.92 N1+ +ATOM 461 N SER A 61 4.611 -14.828 -15.822 1.00 82.59 N +ATOM 462 CA SER A 61 4.685 -13.514 -16.467 1.00 82.15 C +ATOM 463 C SER A 61 4.480 -12.381 -15.473 1.00 82.91 C +ATOM 464 O SER A 61 5.288 -11.471 -15.395 1.00 79.99 O +ATOM 465 CB SER A 61 3.667 -13.438 -17.614 1.00 79.34 C +ATOM 466 OG SER A 61 3.850 -12.222 -18.331 1.00 71.37 O +ATOM 467 N GLY A 62 3.457 -12.479 -14.655 1.00 84.76 N +ATOM 468 CA GLY A 62 3.207 -11.523 -13.573 1.00 85.08 C +ATOM 469 C GLY A 62 4.360 -11.429 -12.577 1.00 86.39 C +ATOM 470 O GLY A 62 4.720 -10.338 -12.154 1.00 84.48 O +ATOM 471 N TRP A 63 4.984 -12.541 -12.277 1.00 88.55 N +ATOM 472 CA TRP A 63 6.143 -12.610 -11.392 1.00 89.71 C +ATOM 473 C TRP A 63 7.361 -11.875 -11.938 1.00 90.78 C +ATOM 474 O TRP A 63 7.999 -11.097 -11.224 1.00 90.99 O +ATOM 475 CB TRP A 63 6.499 -14.079 -11.148 1.00 89.27 C +ATOM 476 CG TRP A 63 7.684 -14.303 -10.293 1.00 89.93 C +ATOM 477 CD1 TRP A 63 8.747 -15.062 -10.581 1.00 87.24 C +ATOM 478 CD2 TRP A 63 7.933 -13.743 -8.964 1.00 88.48 C +ATOM 479 NE1 TRP A 63 9.648 -15.033 -9.509 1.00 85.55 N +ATOM 480 CE2 TRP A 63 9.181 -14.220 -8.505 1.00 87.05 C +ATOM 481 CE3 TRP A 63 7.205 -12.885 -8.120 1.00 86.21 C +ATOM 482 CZ2 TRP A 63 9.694 -13.868 -7.234 1.00 83.65 C +ATOM 483 CZ3 TRP A 63 7.721 -12.513 -6.869 1.00 78.43 C +ATOM 484 CH2 TRP A 63 8.958 -13.005 -6.434 1.00 78.71 C +ATOM 485 N LYS A 64 7.667 -12.061 -13.216 1.00 88.21 N +ATOM 486 CA LYS A 64 8.741 -11.294 -13.872 1.00 88.33 C +ATOM 487 C LYS A 64 8.463 -9.798 -13.849 1.00 89.04 C +ATOM 488 O LYS A 64 9.352 -9.026 -13.528 1.00 87.22 O +ATOM 489 CB LYS A 64 8.941 -11.762 -15.327 1.00 85.94 C +ATOM 490 CG LYS A 64 9.721 -13.071 -15.406 1.00 76.45 C +ATOM 491 CD LYS A 64 10.019 -13.405 -16.881 1.00 71.71 C +ATOM 492 CE LYS A 64 10.886 -14.649 -16.985 1.00 63.44 C +ATOM 493 NZ LYS A 64 11.232 -14.973 -18.386 1.00 55.59 N1+ +ATOM 494 N GLN A 65 7.224 -9.403 -14.107 1.00 89.82 N +ATOM 495 CA GLN A 65 6.833 -7.989 -14.010 1.00 90.34 C +ATOM 496 C GLN A 65 7.001 -7.426 -12.606 1.00 91.31 C +ATOM 497 O GLN A 65 7.492 -6.314 -12.478 1.00 90.82 O +ATOM 498 CB GLN A 65 5.393 -7.806 -14.471 1.00 88.75 C +ATOM 499 CG GLN A 65 5.227 -8.021 -15.988 1.00 81.28 C +ATOM 500 CD GLN A 65 3.783 -7.840 -16.465 1.00 78.76 C +ATOM 501 OE1 GLN A 65 2.826 -7.830 -15.706 1.00 68.57 O +ATOM 502 NE2 GLN A 65 3.593 -7.687 -17.737 1.00 67.84 N +ATOM 503 N GLU A 66 6.658 -8.159 -11.573 1.00 90.93 N +ATOM 504 CA GLU A 66 6.874 -7.731 -10.184 1.00 91.44 C +ATOM 505 C GLU A 66 8.355 -7.478 -9.904 1.00 91.89 C +ATOM 506 O GLU A 66 8.712 -6.442 -9.345 1.00 90.36 O +ATOM 507 CB GLU A 66 6.295 -8.768 -9.217 1.00 89.58 C +ATOM 508 CG GLU A 66 6.488 -8.370 -7.750 1.00 83.11 C +ATOM 509 CD GLU A 66 5.856 -9.321 -6.718 1.00 82.71 C +ATOM 510 OE1 GLU A 66 6.007 -9.072 -5.521 1.00 68.24 O +ATOM 511 OE2 GLU A 66 5.205 -10.326 -7.098 1.00 65.97 O +ATOM 512 N ILE A 67 9.209 -8.378 -10.327 1.00 93.92 N +ATOM 513 CA ILE A 67 10.666 -8.233 -10.174 1.00 94.18 C +ATOM 514 C ILE A 67 11.168 -7.021 -10.947 1.00 94.16 C +ATOM 515 O ILE A 67 11.933 -6.224 -10.394 1.00 93.84 O +ATOM 516 CB ILE A 67 11.384 -9.523 -10.617 1.00 94.13 C +ATOM 517 CG1 ILE A 67 11.054 -10.673 -9.658 1.00 93.48 C +ATOM 518 CG2 ILE A 67 12.911 -9.300 -10.674 1.00 93.44 C +ATOM 519 CD1 ILE A 67 11.548 -12.047 -10.133 1.00 91.31 C +ATOM 520 N ASP A 68 10.750 -6.865 -12.189 1.00 93.92 N +ATOM 521 CA ASP A 68 11.194 -5.771 -13.035 1.00 93.82 C +ATOM 522 C ASP A 68 10.750 -4.416 -12.494 1.00 94.08 C +ATOM 523 O ASP A 68 11.568 -3.492 -12.448 1.00 93.17 O +ATOM 524 CB ASP A 68 10.692 -5.981 -14.481 1.00 93.04 C +ATOM 525 CG ASP A 68 11.384 -7.123 -15.201 1.00 90.21 C +ATOM 526 OD1 ASP A 68 12.535 -7.479 -14.827 1.00 85.42 O +ATOM 527 OD2 ASP A 68 10.796 -7.617 -16.199 1.00 83.27 O +ATOM 528 N ILE A 69 9.528 -4.312 -12.001 1.00 94.57 N +ATOM 529 CA ILE A 69 9.037 -3.097 -11.346 1.00 94.66 C +ATOM 530 C ILE A 69 9.892 -2.800 -10.120 1.00 94.77 C +ATOM 531 O ILE A 69 10.529 -1.750 -10.069 1.00 94.51 O +ATOM 532 CB ILE A 69 7.530 -3.208 -11.001 1.00 94.70 C +ATOM 533 CG1 ILE A 69 6.707 -3.161 -12.307 1.00 94.16 C +ATOM 534 CG2 ILE A 69 7.095 -2.076 -10.065 1.00 94.27 C +ATOM 535 CD1 ILE A 69 5.240 -3.568 -12.124 1.00 92.18 C +ATOM 536 N LEU A 70 9.983 -3.715 -9.179 1.00 95.61 N +ATOM 537 CA LEU A 70 10.684 -3.463 -7.917 1.00 95.57 C +ATOM 538 C LEU A 70 12.160 -3.129 -8.129 1.00 95.59 C +ATOM 539 O LEU A 70 12.709 -2.291 -7.417 1.00 95.06 O +ATOM 540 CB LEU A 70 10.496 -4.668 -6.982 1.00 95.24 C +ATOM 541 CG LEU A 70 11.003 -4.414 -5.549 1.00 94.08 C +ATOM 542 CD1 LEU A 70 10.871 -5.672 -4.707 1.00 92.83 C +ATOM 543 CD2 LEU A 70 10.213 -3.316 -4.850 1.00 92.20 C +ATOM 544 N ARG A 71 12.787 -3.696 -9.135 1.00 95.19 N +ATOM 545 CA ARG A 71 14.171 -3.390 -9.524 1.00 95.05 C +ATOM 546 C ARG A 71 14.372 -1.928 -9.896 1.00 95.29 C +ATOM 547 O ARG A 71 15.462 -1.414 -9.695 1.00 94.41 O +ATOM 548 CB ARG A 71 14.560 -4.328 -10.683 1.00 93.88 C +ATOM 549 CG ARG A 71 16.004 -4.120 -11.163 1.00 87.41 C +ATOM 550 CD ARG A 71 16.357 -5.062 -12.317 1.00 83.88 C +ATOM 551 NE ARG A 71 16.582 -6.426 -11.835 1.00 78.97 N +ATOM 552 CZ ARG A 71 16.853 -7.493 -12.573 1.00 75.73 C +ATOM 553 NH1 ARG A 71 16.878 -7.438 -13.879 1.00 69.56 N +ATOM 554 NH2 ARG A 71 17.091 -8.647 -12.036 1.00 68.81 N1+ +ATOM 555 N THR A 72 13.353 -1.271 -10.428 1.00 94.28 N +ATOM 556 CA THR A 72 13.456 0.127 -10.868 1.00 93.93 C +ATOM 557 C THR A 72 13.177 1.140 -9.756 1.00 94.15 C +ATOM 558 O THR A 72 13.442 2.322 -9.949 1.00 92.88 O +ATOM 559 CB THR A 72 12.523 0.424 -12.057 1.00 92.43 C +ATOM 560 OG1 THR A 72 11.157 0.374 -11.724 1.00 85.17 O +ATOM 561 CG2 THR A 72 12.762 -0.496 -13.242 1.00 83.76 C +ATOM 562 N LEU A 73 12.669 0.701 -8.619 1.00 95.33 N +ATOM 563 CA LEU A 73 12.196 1.576 -7.559 1.00 95.34 C +ATOM 564 C LEU A 73 13.276 1.824 -6.495 1.00 95.33 C +ATOM 565 O LEU A 73 13.838 0.891 -5.932 1.00 94.93 O +ATOM 566 CB LEU A 73 10.920 0.989 -6.930 1.00 95.38 C +ATOM 567 CG LEU A 73 9.740 0.804 -7.903 1.00 95.18 C +ATOM 568 CD1 LEU A 73 8.562 0.193 -7.162 1.00 94.82 C +ATOM 569 CD2 LEU A 73 9.300 2.112 -8.546 1.00 94.55 C +ATOM 570 N TYR A 74 13.495 3.088 -6.193 1.00 95.70 N +ATOM 571 CA TYR A 74 14.435 3.531 -5.164 1.00 95.26 C +ATOM 572 C TYR A 74 13.818 4.676 -4.366 1.00 95.47 C +ATOM 573 O TYR A 74 13.920 5.841 -4.740 1.00 94.29 O +ATOM 574 CB TYR A 74 15.763 3.972 -5.793 1.00 93.82 C +ATOM 575 CG TYR A 74 16.530 2.837 -6.427 1.00 87.04 C +ATOM 576 CD1 TYR A 74 17.415 2.054 -5.655 1.00 81.19 C +ATOM 577 CD2 TYR A 74 16.372 2.558 -7.799 1.00 77.94 C +ATOM 578 CE1 TYR A 74 18.114 0.999 -6.241 1.00 72.24 C +ATOM 579 CE2 TYR A 74 17.065 1.499 -8.390 1.00 69.20 C +ATOM 580 CZ TYR A 74 17.933 0.722 -7.615 1.00 67.60 C +ATOM 581 OH TYR A 74 18.627 -0.318 -8.204 1.00 65.65 O +ATOM 582 N HIS A 75 13.220 4.341 -3.260 1.00 96.36 N +ATOM 583 CA HIS A 75 12.624 5.317 -2.355 1.00 96.29 C +ATOM 584 C HIS A 75 12.647 4.787 -0.921 1.00 96.36 C +ATOM 585 O HIS A 75 12.491 3.589 -0.690 1.00 96.05 O +ATOM 586 CB HIS A 75 11.204 5.631 -2.820 1.00 96.16 C +ATOM 587 CG HIS A 75 10.610 6.815 -2.128 1.00 96.02 C +ATOM 588 ND1 HIS A 75 9.828 6.785 -0.990 1.00 94.91 N1+ +ATOM 589 CD2 HIS A 75 10.772 8.124 -2.476 1.00 94.76 C +ATOM 590 CE1 HIS A 75 9.543 8.051 -0.663 1.00 94.41 C +ATOM 591 NE2 HIS A 75 10.105 8.893 -1.535 1.00 94.70 N +ATOM 592 N GLU A 76 12.819 5.667 0.064 1.00 96.44 N +ATOM 593 CA GLU A 76 12.954 5.271 1.468 1.00 96.23 C +ATOM 594 C GLU A 76 11.687 4.617 2.033 1.00 96.52 C +ATOM 595 O GLU A 76 11.780 3.804 2.952 1.00 96.07 O +ATOM 596 CB GLU A 76 13.390 6.473 2.312 1.00 95.31 C +ATOM 597 CG GLU A 76 12.379 7.613 2.356 1.00 89.47 C +ATOM 598 CD GLU A 76 12.865 8.826 3.140 1.00 85.01 C +ATOM 599 OE1 GLU A 76 12.556 9.967 2.726 1.00 71.15 O +ATOM 600 OE2 GLU A 76 13.569 8.622 4.169 1.00 67.83 O +ATOM 601 N HIS A 77 10.535 4.909 1.453 1.00 96.69 N +ATOM 602 CA HIS A 77 9.243 4.333 1.833 1.00 96.79 C +ATOM 603 C HIS A 77 8.768 3.198 0.911 1.00 96.94 C +ATOM 604 O HIS A 77 7.597 2.831 0.918 1.00 96.76 O +ATOM 605 CB HIS A 77 8.205 5.448 1.965 1.00 96.66 C +ATOM 606 CG HIS A 77 8.612 6.492 2.962 1.00 96.52 C +ATOM 607 ND1 HIS A 77 9.097 6.248 4.239 1.00 95.76 N1+ +ATOM 608 CD2 HIS A 77 8.640 7.839 2.767 1.00 95.51 C +ATOM 609 CE1 HIS A 77 9.409 7.419 4.792 1.00 95.01 C +ATOM 610 NE2 HIS A 77 9.140 8.415 3.928 1.00 95.24 N +ATOM 611 N ILE A 78 9.648 2.634 0.118 1.00 96.78 N +ATOM 612 CA ILE A 78 9.400 1.422 -0.670 1.00 96.73 C +ATOM 613 C ILE A 78 10.402 0.349 -0.254 1.00 96.76 C +ATOM 614 O ILE A 78 11.586 0.637 -0.051 1.00 96.46 O +ATOM 615 CB ILE A 78 9.432 1.738 -2.173 1.00 96.56 C +ATOM 616 CG1 ILE A 78 8.226 2.638 -2.522 1.00 95.87 C +ATOM 617 CG2 ILE A 78 9.413 0.461 -3.029 1.00 95.65 C +ATOM 618 CD1 ILE A 78 8.160 3.087 -3.985 1.00 93.75 C +ATOM 619 N ILE A 79 9.950 -0.882 -0.151 1.00 96.35 N +ATOM 620 CA ILE A 79 10.832 -2.006 0.163 1.00 96.27 C +ATOM 621 C ILE A 79 11.956 -2.090 -0.858 1.00 96.44 C +ATOM 622 O ILE A 79 11.748 -2.024 -2.072 1.00 96.02 O +ATOM 623 CB ILE A 79 10.037 -3.314 0.292 1.00 95.67 C +ATOM 624 CG1 ILE A 79 10.927 -4.392 0.917 1.00 91.60 C +ATOM 625 CG2 ILE A 79 9.441 -3.779 -1.056 1.00 90.48 C +ATOM 626 CD1 ILE A 79 10.172 -5.653 1.331 1.00 84.74 C +ATOM 627 N LYS A 80 13.173 -2.243 -0.384 1.00 95.86 N +ATOM 628 CA LYS A 80 14.355 -2.223 -1.231 1.00 95.65 C +ATOM 629 C LYS A 80 14.554 -3.557 -1.939 1.00 95.97 C +ATOM 630 O LYS A 80 14.685 -4.597 -1.294 1.00 95.54 O +ATOM 631 CB LYS A 80 15.572 -1.823 -0.390 1.00 94.70 C +ATOM 632 CG LYS A 80 16.832 -1.642 -1.231 1.00 88.51 C +ATOM 633 CD LYS A 80 17.983 -1.148 -0.364 1.00 83.84 C +ATOM 634 CE LYS A 80 19.243 -0.983 -1.218 1.00 76.49 C +ATOM 635 NZ LYS A 80 20.384 -0.460 -0.441 1.00 69.30 N1+ +ATOM 636 N TYR A 81 14.636 -3.500 -3.264 1.00 95.41 N +ATOM 637 CA TYR A 81 15.169 -4.598 -4.064 1.00 95.49 C +ATOM 638 C TYR A 81 16.655 -4.807 -3.751 1.00 95.45 C +ATOM 639 O TYR A 81 17.418 -3.853 -3.708 1.00 95.05 O +ATOM 640 CB TYR A 81 14.984 -4.271 -5.539 1.00 95.46 C +ATOM 641 CG TYR A 81 15.611 -5.280 -6.482 1.00 95.51 C +ATOM 642 CD1 TYR A 81 14.925 -6.465 -6.798 1.00 95.08 C +ATOM 643 CD2 TYR A 81 16.874 -5.040 -7.037 1.00 95.12 C +ATOM 644 CE1 TYR A 81 15.485 -7.397 -7.685 1.00 94.60 C +ATOM 645 CE2 TYR A 81 17.443 -5.965 -7.923 1.00 94.59 C +ATOM 646 CZ TYR A 81 16.743 -7.132 -8.250 1.00 94.73 C +ATOM 647 OH TYR A 81 17.272 -8.030 -9.134 1.00 93.96 O +ATOM 648 N LYS A 82 17.052 -6.027 -3.536 1.00 95.47 N +ATOM 649 CA LYS A 82 18.456 -6.397 -3.351 1.00 95.11 C +ATOM 650 C LYS A 82 19.016 -7.203 -4.510 1.00 95.22 C +ATOM 651 O LYS A 82 20.182 -7.047 -4.859 1.00 94.25 O +ATOM 652 CB LYS A 82 18.631 -7.161 -2.048 1.00 94.10 C +ATOM 653 CG LYS A 82 18.451 -6.232 -0.854 1.00 89.50 C +ATOM 654 CD LYS A 82 18.993 -6.876 0.400 1.00 86.61 C +ATOM 655 CE LYS A 82 19.161 -5.813 1.476 1.00 82.07 C +ATOM 656 NZ LYS A 82 20.392 -6.015 2.265 1.00 77.00 N1+ +ATOM 657 N GLY A 83 18.185 -8.028 -5.102 1.00 94.90 N +ATOM 658 CA GLY A 83 18.606 -8.842 -6.217 1.00 94.74 C +ATOM 659 C GLY A 83 17.716 -10.033 -6.478 1.00 94.97 C +ATOM 660 O GLY A 83 16.587 -10.126 -5.989 1.00 94.47 O +ATOM 661 N CYS A 84 18.218 -10.984 -7.230 1.00 92.96 N +ATOM 662 CA CYS A 84 17.564 -12.245 -7.515 1.00 92.88 C +ATOM 663 C CYS A 84 18.448 -13.424 -7.177 1.00 92.82 C +ATOM 664 O CYS A 84 19.687 -13.345 -7.259 1.00 91.62 O +ATOM 665 CB CYS A 84 17.124 -12.271 -8.972 1.00 92.06 C +ATOM 666 SG CYS A 84 15.727 -11.127 -9.211 1.00 89.45 S +ATOM 667 N CYS A 85 17.844 -14.529 -6.898 1.00 91.44 N +ATOM 668 CA CYS A 85 18.519 -15.833 -6.799 1.00 91.21 C +ATOM 669 C CYS A 85 17.897 -16.803 -7.801 1.00 90.97 C +ATOM 670 O CYS A 85 16.687 -16.846 -7.940 1.00 89.27 O +ATOM 671 CB CYS A 85 18.365 -16.325 -5.361 1.00 89.79 C +ATOM 672 SG CYS A 85 19.177 -17.921 -5.156 1.00 85.94 S +ATOM 673 N GLU A 86 18.707 -17.561 -8.478 1.00 88.46 N +ATOM 674 CA GLU A 86 18.222 -18.631 -9.331 1.00 87.15 C +ATOM 675 C GLU A 86 17.533 -19.697 -8.490 1.00 87.26 C +ATOM 676 O GLU A 86 18.087 -20.202 -7.508 1.00 84.22 O +ATOM 677 CB GLU A 86 19.345 -19.247 -10.164 1.00 84.22 C +ATOM 678 CG GLU A 86 19.851 -18.338 -11.245 1.00 77.84 C +ATOM 679 CD GLU A 86 20.843 -19.025 -12.203 1.00 76.52 C +ATOM 680 OE1 GLU A 86 21.145 -18.441 -13.257 1.00 65.41 O +ATOM 681 OE2 GLU A 86 21.274 -20.158 -11.919 1.00 64.50 O +ATOM 682 N ASP A 87 16.342 -20.068 -8.911 1.00 85.48 N +ATOM 683 CA ASP A 87 15.596 -21.172 -8.302 1.00 85.14 C +ATOM 684 C ASP A 87 15.334 -22.259 -9.334 1.00 85.19 C +ATOM 685 O ASP A 87 14.307 -22.295 -10.006 1.00 82.24 O +ATOM 686 CB ASP A 87 14.306 -20.637 -7.656 1.00 82.85 C +ATOM 687 CG ASP A 87 13.587 -21.715 -6.847 1.00 82.90 C +ATOM 688 OD1 ASP A 87 14.041 -22.897 -6.846 1.00 77.52 O +ATOM 689 OD2 ASP A 87 12.579 -21.388 -6.203 1.00 77.81 O +ATOM 690 N ALA A 88 16.286 -23.161 -9.435 1.00 85.86 N +ATOM 691 CA ALA A 88 16.174 -24.287 -10.349 1.00 85.34 C +ATOM 692 C ALA A 88 14.988 -25.208 -10.008 1.00 85.51 C +ATOM 693 O ALA A 88 14.398 -25.794 -10.922 1.00 81.85 O +ATOM 694 CB ALA A 88 17.507 -25.054 -10.319 1.00 83.27 C +ATOM 695 N GLY A 89 14.620 -25.263 -8.752 1.00 83.68 N +ATOM 696 CA GLY A 89 13.490 -26.083 -8.295 1.00 83.07 C +ATOM 697 C GLY A 89 12.140 -25.613 -8.824 1.00 84.03 C +ATOM 698 O GLY A 89 11.306 -26.444 -9.196 1.00 81.03 O +ATOM 699 N ALA A 90 11.967 -24.317 -8.936 1.00 82.13 N +ATOM 700 CA ALA A 90 10.746 -23.726 -9.497 1.00 82.24 C +ATOM 701 C ALA A 90 10.888 -23.296 -10.974 1.00 83.30 C +ATOM 702 O ALA A 90 9.938 -22.751 -11.529 1.00 79.34 O +ATOM 703 CB ALA A 90 10.325 -22.584 -8.592 1.00 79.08 C +ATOM 704 N ALA A 91 12.014 -23.503 -11.574 1.00 82.99 N +ATOM 705 CA ALA A 91 12.348 -23.017 -12.923 1.00 83.43 C +ATOM 706 C ALA A 91 12.079 -21.507 -13.069 1.00 85.10 C +ATOM 707 O ALA A 91 11.527 -21.038 -14.078 1.00 82.74 O +ATOM 708 CB ALA A 91 11.674 -23.880 -13.978 1.00 80.63 C +ATOM 709 N SER A 92 12.408 -20.734 -12.045 1.00 86.04 N +ATOM 710 CA SER A 92 12.157 -19.288 -11.952 1.00 86.49 C +ATOM 711 C SER A 92 13.219 -18.604 -11.111 1.00 87.66 C +ATOM 712 O SER A 92 14.121 -19.245 -10.568 1.00 86.43 O +ATOM 713 CB SER A 92 10.761 -19.054 -11.383 1.00 83.91 C +ATOM 714 OG SER A 92 10.654 -19.434 -10.028 1.00 77.06 O +ATOM 715 N LEU A 93 13.126 -17.293 -10.991 1.00 89.59 N +ATOM 716 CA LEU A 93 13.944 -16.522 -10.074 1.00 90.47 C +ATOM 717 C LEU A 93 13.210 -16.322 -8.745 1.00 91.08 C +ATOM 718 O LEU A 93 11.999 -16.125 -8.713 1.00 89.94 O +ATOM 719 CB LEU A 93 14.300 -15.170 -10.707 1.00 88.89 C +ATOM 720 CG LEU A 93 15.144 -15.279 -11.999 1.00 83.71 C +ATOM 721 CD1 LEU A 93 15.360 -13.875 -12.572 1.00 80.24 C +ATOM 722 CD2 LEU A 93 16.498 -15.897 -11.725 1.00 79.04 C +ATOM 723 N GLN A 94 13.962 -16.306 -7.678 1.00 92.68 N +ATOM 724 CA GLN A 94 13.528 -15.812 -6.388 1.00 92.77 C +ATOM 725 C GLN A 94 13.897 -14.338 -6.256 1.00 93.18 C +ATOM 726 O GLN A 94 15.017 -13.944 -6.580 1.00 92.60 O +ATOM 727 CB GLN A 94 14.177 -16.627 -5.263 1.00 92.23 C +ATOM 728 CG GLN A 94 13.775 -18.096 -5.327 1.00 90.39 C +ATOM 729 CD GLN A 94 14.385 -18.915 -4.176 1.00 89.40 C +ATOM 730 OE1 GLN A 94 15.583 -18.970 -4.010 1.00 83.71 O +ATOM 731 NE2 GLN A 94 13.586 -19.556 -3.378 1.00 81.13 N +ATOM 732 N LEU A 95 12.972 -13.537 -5.791 1.00 94.11 N +ATOM 733 CA LEU A 95 13.192 -12.122 -5.522 1.00 94.30 C +ATOM 734 C LEU A 95 13.773 -11.958 -4.119 1.00 94.43 C +ATOM 735 O LEU A 95 13.152 -12.373 -3.142 1.00 94.14 O +ATOM 736 CB LEU A 95 11.839 -11.401 -5.684 1.00 94.09 C +ATOM 737 CG LEU A 95 11.823 -9.932 -5.230 1.00 93.21 C +ATOM 738 CD1 LEU A 95 10.420 -9.374 -5.423 1.00 92.18 C +ATOM 739 CD2 LEU A 95 12.788 -9.067 -6.013 1.00 91.88 C +ATOM 740 N VAL A 96 14.902 -11.319 -4.006 1.00 95.61 N +ATOM 741 CA VAL A 96 15.556 -10.987 -2.742 1.00 95.67 C +ATOM 742 C VAL A 96 15.343 -9.518 -2.430 1.00 95.66 C +ATOM 743 O VAL A 96 15.698 -8.641 -3.223 1.00 95.32 O +ATOM 744 CB VAL A 96 17.042 -11.366 -2.761 1.00 95.57 C +ATOM 745 CG1 VAL A 96 17.276 -12.813 -3.202 1.00 95.05 C +ATOM 746 CG2 VAL A 96 17.658 -11.190 -1.375 1.00 94.97 C +ATOM 747 N MET A 97 14.795 -9.244 -1.283 1.00 95.80 N +ATOM 748 CA MET A 97 14.465 -7.910 -0.793 1.00 95.69 C +ATOM 749 C MET A 97 15.108 -7.688 0.580 1.00 95.81 C +ATOM 750 O MET A 97 15.486 -8.649 1.261 1.00 95.39 O +ATOM 751 CB MET A 97 12.936 -7.757 -0.676 1.00 95.03 C +ATOM 752 CG MET A 97 12.192 -8.069 -1.968 1.00 91.58 C +ATOM 753 SD MET A 97 10.391 -8.117 -1.815 1.00 89.34 S +ATOM 754 CE MET A 97 10.175 -9.612 -0.856 1.00 79.01 C +ATOM 755 N GLU A 98 15.151 -6.441 1.022 1.00 95.41 N +ATOM 756 CA GLU A 98 15.512 -6.165 2.411 1.00 95.14 C +ATOM 757 C GLU A 98 14.511 -6.831 3.366 1.00 95.24 C +ATOM 758 O GLU A 98 13.309 -6.916 3.081 1.00 94.58 O +ATOM 759 CB GLU A 98 15.621 -4.657 2.666 1.00 94.37 C +ATOM 760 CG GLU A 98 14.286 -3.918 2.669 1.00 91.48 C +ATOM 761 CD GLU A 98 14.413 -2.412 2.886 1.00 90.23 C +ATOM 762 OE1 GLU A 98 13.721 -1.643 2.211 1.00 77.55 O +ATOM 763 OE2 GLU A 98 15.232 -1.977 3.741 1.00 75.50 O +ATOM 764 N TYR A 99 15.012 -7.294 4.472 1.00 95.47 N +ATOM 765 CA TYR A 99 14.177 -7.772 5.562 1.00 95.56 C +ATOM 766 C TYR A 99 13.759 -6.601 6.442 1.00 95.56 C +ATOM 767 O TYR A 99 14.600 -5.891 6.982 1.00 95.17 O +ATOM 768 CB TYR A 99 14.965 -8.816 6.353 1.00 95.48 C +ATOM 769 CG TYR A 99 14.260 -9.241 7.622 1.00 95.61 C +ATOM 770 CD1 TYR A 99 13.025 -9.903 7.566 1.00 95.20 C +ATOM 771 CD2 TYR A 99 14.818 -8.956 8.883 1.00 94.97 C +ATOM 772 CE1 TYR A 99 12.375 -10.309 8.748 1.00 94.43 C +ATOM 773 CE2 TYR A 99 14.182 -9.344 10.058 1.00 94.52 C +ATOM 774 CZ TYR A 99 12.963 -10.027 9.995 1.00 94.58 C +ATOM 775 OH TYR A 99 12.345 -10.439 11.152 1.00 93.99 O +ATOM 776 N VAL A 100 12.466 -6.408 6.597 1.00 95.55 N +ATOM 777 CA VAL A 100 11.900 -5.352 7.437 1.00 95.46 C +ATOM 778 C VAL A 100 11.464 -5.954 8.772 1.00 95.51 C +ATOM 779 O VAL A 100 10.555 -6.786 8.796 1.00 95.20 O +ATOM 780 CB VAL A 100 10.762 -4.621 6.709 1.00 95.16 C +ATOM 781 CG1 VAL A 100 11.213 -4.120 5.335 1.00 94.36 C +ATOM 782 CG2 VAL A 100 10.335 -3.406 7.514 1.00 94.25 C +ATOM 783 N PRO A 101 12.095 -5.585 9.891 1.00 95.59 N +ATOM 784 CA PRO A 101 12.076 -6.414 11.098 1.00 95.35 C +ATOM 785 C PRO A 101 10.764 -6.413 11.881 1.00 95.45 C +ATOM 786 O PRO A 101 10.484 -7.382 12.580 1.00 94.82 O +ATOM 787 CB PRO A 101 13.247 -5.914 11.948 1.00 94.70 C +ATOM 788 CG PRO A 101 13.449 -4.470 11.477 1.00 93.33 C +ATOM 789 CD PRO A 101 13.115 -4.555 10.006 1.00 94.23 C +ATOM 790 N LEU A 102 9.963 -5.356 11.788 1.00 95.95 N +ATOM 791 CA LEU A 102 8.736 -5.237 12.584 1.00 95.92 C +ATOM 792 C LEU A 102 7.493 -5.788 11.873 1.00 95.99 C +ATOM 793 O LEU A 102 6.432 -5.900 12.493 1.00 95.47 O +ATOM 794 CB LEU A 102 8.557 -3.789 13.047 1.00 95.68 C +ATOM 795 CG LEU A 102 9.713 -3.217 13.890 1.00 95.11 C +ATOM 796 CD1 LEU A 102 9.367 -1.804 14.361 1.00 94.51 C +ATOM 797 CD2 LEU A 102 10.012 -4.051 15.126 1.00 94.18 C +ATOM 798 N GLY A 103 7.598 -6.198 10.621 1.00 95.40 N +ATOM 799 CA GLY A 103 6.508 -6.793 9.840 1.00 95.22 C +ATOM 800 C GLY A 103 5.458 -5.805 9.384 1.00 95.51 C +ATOM 801 O GLY A 103 5.688 -4.614 9.350 1.00 95.06 O +ATOM 802 N SER A 104 4.299 -6.293 8.992 1.00 95.35 N +ATOM 803 CA SER A 104 3.233 -5.454 8.450 1.00 95.28 C +ATOM 804 C SER A 104 2.550 -4.610 9.521 1.00 95.52 C +ATOM 805 O SER A 104 2.368 -5.056 10.654 1.00 95.18 O +ATOM 806 CB SER A 104 2.206 -6.294 7.692 1.00 94.67 C +ATOM 807 OG SER A 104 1.435 -7.085 8.584 1.00 92.39 O +ATOM 808 N LEU A 105 2.073 -3.444 9.141 1.00 95.88 N +ATOM 809 CA LEU A 105 1.259 -2.609 10.030 1.00 95.83 C +ATOM 810 C LEU A 105 0.014 -3.349 10.518 1.00 95.88 C +ATOM 811 O LEU A 105 -0.345 -3.210 11.681 1.00 95.64 O +ATOM 812 CB LEU A 105 0.856 -1.312 9.317 1.00 95.67 C +ATOM 813 CG LEU A 105 1.989 -0.298 9.128 1.00 95.06 C +ATOM 814 CD1 LEU A 105 1.451 0.939 8.405 1.00 94.56 C +ATOM 815 CD2 LEU A 105 2.572 0.175 10.469 1.00 94.17 C +ATOM 816 N ARG A 106 -0.587 -4.178 9.688 1.00 95.98 N +ATOM 817 CA ARG A 106 -1.745 -4.999 10.064 1.00 95.80 C +ATOM 818 C ARG A 106 -1.471 -5.912 11.256 1.00 95.90 C +ATOM 819 O ARG A 106 -2.353 -6.091 12.088 1.00 95.48 O +ATOM 820 CB ARG A 106 -2.204 -5.848 8.866 1.00 95.23 C +ATOM 821 CG ARG A 106 -3.518 -6.593 9.171 1.00 91.74 C +ATOM 822 CD ARG A 106 -3.878 -7.585 8.071 1.00 89.06 C +ATOM 823 NE ARG A 106 -2.906 -8.681 8.024 1.00 83.08 N +ATOM 824 CZ ARG A 106 -2.857 -9.646 7.116 1.00 81.78 C +ATOM 825 NH1 ARG A 106 -3.732 -9.742 6.170 1.00 77.59 N +ATOM 826 NH2 ARG A 106 -1.903 -10.539 7.170 1.00 78.24 N1+ +ATOM 827 N ASP A 107 -0.276 -6.462 11.322 1.00 95.20 N +ATOM 828 CA ASP A 107 0.090 -7.393 12.393 1.00 95.08 C +ATOM 829 C ASP A 107 0.720 -6.682 13.586 1.00 95.26 C +ATOM 830 O ASP A 107 0.673 -7.188 14.708 1.00 94.78 O +ATOM 831 CB ASP A 107 1.036 -8.467 11.827 1.00 94.49 C +ATOM 832 CG ASP A 107 0.405 -9.313 10.716 1.00 92.39 C +ATOM 833 OD1 ASP A 107 -0.828 -9.550 10.737 1.00 87.79 O +ATOM 834 OD2 ASP A 107 1.159 -9.713 9.805 1.00 84.83 O +ATOM 835 N TYR A 108 1.283 -5.523 13.361 1.00 95.95 N +ATOM 836 CA TYR A 108 1.952 -4.723 14.381 1.00 95.91 C +ATOM 837 C TYR A 108 0.982 -3.902 15.223 1.00 95.95 C +ATOM 838 O TYR A 108 1.040 -3.954 16.458 1.00 95.64 O +ATOM 839 CB TYR A 108 2.992 -3.826 13.699 1.00 95.76 C +ATOM 840 CG TYR A 108 3.862 -3.067 14.670 1.00 95.52 C +ATOM 841 CD1 TYR A 108 5.068 -3.629 15.140 1.00 95.03 C +ATOM 842 CD2 TYR A 108 3.467 -1.791 15.142 1.00 94.83 C +ATOM 843 CE1 TYR A 108 5.865 -2.951 16.066 1.00 94.21 C +ATOM 844 CE2 TYR A 108 4.264 -1.105 16.074 1.00 94.27 C +ATOM 845 CZ TYR A 108 5.458 -1.684 16.531 1.00 94.15 C +ATOM 846 OH TYR A 108 6.236 -1.016 17.446 1.00 93.61 O +ATOM 847 N LEU A 109 0.092 -3.151 14.585 1.00 95.39 N +ATOM 848 CA LEU A 109 -0.758 -2.164 15.265 1.00 95.34 C +ATOM 849 C LEU A 109 -1.702 -2.759 16.326 1.00 95.26 C +ATOM 850 O LEU A 109 -1.813 -2.149 17.385 1.00 94.93 O +ATOM 851 CB LEU A 109 -1.548 -1.354 14.228 1.00 95.25 C +ATOM 852 CG LEU A 109 -0.700 -0.407 13.356 1.00 94.89 C +ATOM 853 CD1 LEU A 109 -1.612 0.296 12.348 1.00 94.49 C +ATOM 854 CD2 LEU A 109 0.020 0.652 14.193 1.00 94.16 C +ATOM 855 N PRO A 110 -2.294 -3.943 16.152 1.00 94.78 N +ATOM 856 CA PRO A 110 -3.130 -4.552 17.200 1.00 94.59 C +ATOM 857 C PRO A 110 -2.360 -4.917 18.475 1.00 94.59 C +ATOM 858 O PRO A 110 -2.974 -5.164 19.508 1.00 93.96 O +ATOM 859 CB PRO A 110 -3.726 -5.805 16.561 1.00 94.13 C +ATOM 860 CG PRO A 110 -3.697 -5.508 15.064 1.00 93.40 C +ATOM 861 CD PRO A 110 -2.399 -4.727 14.930 1.00 94.14 C +ATOM 862 N ARG A 111 -1.049 -4.975 18.424 1.00 94.15 N +ATOM 863 CA ARG A 111 -0.175 -5.405 19.528 1.00 93.75 C +ATOM 864 C ARG A 111 0.591 -4.264 20.185 1.00 93.82 C +ATOM 865 O ARG A 111 1.275 -4.507 21.182 1.00 92.34 O +ATOM 866 CB ARG A 111 0.795 -6.464 19.009 1.00 92.28 C +ATOM 867 CG ARG A 111 0.087 -7.678 18.386 1.00 83.35 C +ATOM 868 CD ARG A 111 1.118 -8.657 17.848 1.00 79.44 C +ATOM 869 NE ARG A 111 0.469 -9.731 17.055 1.00 72.95 N +ATOM 870 CZ ARG A 111 1.079 -10.707 16.423 1.00 67.79 C +ATOM 871 NH1 ARG A 111 2.369 -10.853 16.471 1.00 59.35 N +ATOM 872 NH2 ARG A 111 0.389 -11.540 15.706 1.00 56.93 N1+ +ATOM 873 N HIS A 112 0.518 -3.058 19.627 1.00 93.68 N +ATOM 874 CA HIS A 112 1.302 -1.916 20.073 1.00 93.71 C +ATOM 875 C HIS A 112 0.419 -0.676 20.171 1.00 93.78 C +ATOM 876 O HIS A 112 -0.274 -0.316 19.221 1.00 92.80 O +ATOM 877 CB HIS A 112 2.456 -1.692 19.102 1.00 93.28 C +ATOM 878 CG HIS A 112 3.424 -2.846 19.036 1.00 92.60 C +ATOM 879 ND1 HIS A 112 3.262 -3.979 18.242 1.00 88.76 N1+ +ATOM 880 CD2 HIS A 112 4.593 -3.021 19.746 1.00 87.96 C +ATOM 881 CE1 HIS A 112 4.299 -4.793 18.453 1.00 87.86 C +ATOM 882 NE2 HIS A 112 5.129 -4.258 19.353 1.00 88.89 N +ATOM 883 N SER A 113 0.486 0.010 21.272 1.00 92.53 N +ATOM 884 CA SER A 113 -0.265 1.244 21.506 1.00 92.40 C +ATOM 885 C SER A 113 0.418 2.417 20.807 1.00 92.98 C +ATOM 886 O SER A 113 1.166 3.174 21.429 1.00 91.14 O +ATOM 887 CB SER A 113 -0.409 1.502 22.997 1.00 89.80 C +ATOM 888 OG SER A 113 -1.101 0.449 23.636 1.00 77.66 O +ATOM 889 N ILE A 114 0.163 2.580 19.533 1.00 93.90 N +ATOM 890 CA ILE A 114 0.675 3.682 18.720 1.00 93.99 C +ATOM 891 C ILE A 114 -0.277 4.875 18.819 1.00 94.31 C +ATOM 892 O ILE A 114 -1.473 4.751 18.609 1.00 93.23 O +ATOM 893 CB ILE A 114 0.909 3.218 17.268 1.00 92.59 C +ATOM 894 CG1 ILE A 114 1.826 1.969 17.195 1.00 85.27 C +ATOM 895 CG2 ILE A 114 1.509 4.349 16.448 1.00 81.32 C +ATOM 896 CD1 ILE A 114 3.198 2.121 17.839 1.00 74.31 C +ATOM 897 N GLY A 115 0.270 6.032 19.141 1.00 95.17 N +ATOM 898 CA GLY A 115 -0.491 7.264 19.223 1.00 95.09 C +ATOM 899 C GLY A 115 -0.866 7.838 17.847 1.00 95.49 C +ATOM 900 O GLY A 115 -0.243 7.538 16.853 1.00 95.09 O +ATOM 901 N LEU A 116 -1.831 8.733 17.862 1.00 95.37 N +ATOM 902 CA LEU A 116 -2.373 9.352 16.643 1.00 95.47 C +ATOM 903 C LEU A 116 -1.299 10.033 15.793 1.00 95.70 C +ATOM 904 O LEU A 116 -1.250 9.831 14.588 1.00 95.63 O +ATOM 905 CB LEU A 116 -3.464 10.342 17.066 1.00 95.27 C +ATOM 906 CG LEU A 116 -4.064 11.162 15.900 1.00 94.67 C +ATOM 907 CD1 LEU A 116 -5.095 12.120 16.458 1.00 94.06 C +ATOM 908 CD2 LEU A 116 -4.753 10.267 14.862 1.00 93.54 C +ATOM 909 N ALA A 117 -0.407 10.797 16.426 1.00 95.78 N +ATOM 910 CA ALA A 117 0.670 11.467 15.719 1.00 95.80 C +ATOM 911 C ALA A 117 1.552 10.485 14.933 1.00 96.03 C +ATOM 912 O ALA A 117 1.896 10.726 13.781 1.00 95.72 O +ATOM 913 CB ALA A 117 1.495 12.259 16.736 1.00 95.27 C +ATOM 914 N GLN A 118 1.848 9.339 15.521 1.00 96.26 N +ATOM 915 CA GLN A 118 2.660 8.313 14.868 1.00 96.15 C +ATOM 916 C GLN A 118 1.923 7.651 13.699 1.00 96.31 C +ATOM 917 O GLN A 118 2.523 7.399 12.666 1.00 96.06 O +ATOM 918 CB GLN A 118 3.062 7.277 15.924 1.00 95.62 C +ATOM 919 CG GLN A 118 4.199 6.366 15.451 1.00 92.64 C +ATOM 920 CD GLN A 118 5.520 7.116 15.278 1.00 91.16 C +ATOM 921 OE1 GLN A 118 5.754 8.171 15.835 1.00 81.52 O +ATOM 922 NE2 GLN A 118 6.421 6.601 14.511 1.00 78.75 N +ATOM 923 N LEU A 119 0.629 7.408 13.828 1.00 96.32 N +ATOM 924 CA LEU A 119 -0.197 6.887 12.733 1.00 96.42 C +ATOM 925 C LEU A 119 -0.258 7.872 11.563 1.00 96.52 C +ATOM 926 O LEU A 119 -0.174 7.460 10.405 1.00 96.33 O +ATOM 927 CB LEU A 119 -1.609 6.590 13.244 1.00 96.36 C +ATOM 928 CG LEU A 119 -1.699 5.511 14.333 1.00 95.98 C +ATOM 929 CD1 LEU A 119 -3.146 5.407 14.808 1.00 95.53 C +ATOM 930 CD2 LEU A 119 -1.275 4.130 13.804 1.00 95.40 C +ATOM 931 N LEU A 120 -0.351 9.156 11.856 1.00 96.29 N +ATOM 932 CA LEU A 120 -0.348 10.206 10.834 1.00 96.34 C +ATOM 933 C LEU A 120 1.016 10.345 10.157 1.00 96.36 C +ATOM 934 O LEU A 120 1.057 10.576 8.957 1.00 96.14 O +ATOM 935 CB LEU A 120 -0.774 11.531 11.474 1.00 96.29 C +ATOM 936 CG LEU A 120 -2.239 11.549 11.947 1.00 95.98 C +ATOM 937 CD1 LEU A 120 -2.476 12.816 12.761 1.00 95.66 C +ATOM 938 CD2 LEU A 120 -3.234 11.532 10.794 1.00 95.44 C +ATOM 939 N LEU A 121 2.099 10.128 10.886 1.00 96.46 N +ATOM 940 CA LEU A 121 3.432 10.036 10.288 1.00 96.44 C +ATOM 941 C LEU A 121 3.515 8.864 9.308 1.00 96.50 C +ATOM 942 O LEU A 121 3.984 9.035 8.186 1.00 96.29 O +ATOM 943 CB LEU A 121 4.490 9.906 11.401 1.00 96.31 C +ATOM 944 CG LEU A 121 5.929 9.729 10.878 1.00 95.82 C +ATOM 945 CD1 LEU A 121 6.873 9.473 12.055 1.00 95.20 C +ATOM 946 CD2 LEU A 121 6.411 10.962 10.131 1.00 94.59 C +ATOM 947 N PHE A 122 3.011 7.698 9.669 1.00 96.70 N +ATOM 948 CA PHE A 122 2.961 6.553 8.761 1.00 96.74 C +ATOM 949 C PHE A 122 2.108 6.844 7.531 1.00 96.80 C +ATOM 950 O PHE A 122 2.530 6.542 6.415 1.00 96.65 O +ATOM 951 CB PHE A 122 2.436 5.315 9.492 1.00 96.68 C +ATOM 952 CG PHE A 122 3.251 4.833 10.677 1.00 96.65 C +ATOM 953 CD1 PHE A 122 4.614 5.105 10.794 1.00 96.25 C +ATOM 954 CD2 PHE A 122 2.618 4.038 11.658 1.00 96.08 C +ATOM 955 CE1 PHE A 122 5.353 4.612 11.889 1.00 95.59 C +ATOM 956 CE2 PHE A 122 3.349 3.528 12.747 1.00 95.66 C +ATOM 957 CZ PHE A 122 4.712 3.816 12.864 1.00 95.62 C +ATOM 958 N ALA A 123 0.962 7.468 7.719 1.00 96.71 N +ATOM 959 CA ALA A 123 0.100 7.859 6.606 1.00 96.71 C +ATOM 960 C ALA A 123 0.804 8.827 5.639 1.00 96.77 C +ATOM 961 O ALA A 123 0.737 8.628 4.421 1.00 96.60 O +ATOM 962 CB ALA A 123 -1.170 8.476 7.183 1.00 96.57 C +ATOM 963 N GLN A 124 1.521 9.815 6.162 1.00 96.73 N +ATOM 964 CA GLN A 124 2.342 10.715 5.356 1.00 96.70 C +ATOM 965 C GLN A 124 3.392 9.951 4.552 1.00 96.76 C +ATOM 966 O GLN A 124 3.498 10.137 3.346 1.00 96.42 O +ATOM 967 CB GLN A 124 2.985 11.755 6.278 1.00 96.33 C +ATOM 968 CG GLN A 124 3.854 12.749 5.522 1.00 94.87 C +ATOM 969 CD GLN A 124 4.791 13.546 6.429 1.00 93.72 C +ATOM 970 OE1 GLN A 124 4.502 13.834 7.578 1.00 87.02 O +ATOM 971 NE2 GLN A 124 5.944 13.901 5.946 1.00 86.30 N +ATOM 972 N GLN A 125 4.128 9.074 5.189 1.00 96.71 N +ATOM 973 CA GLN A 125 5.173 8.283 4.543 1.00 96.72 C +ATOM 974 C GLN A 125 4.633 7.345 3.460 1.00 96.73 C +ATOM 975 O GLN A 125 5.246 7.195 2.407 1.00 96.50 O +ATOM 976 CB GLN A 125 5.922 7.474 5.604 1.00 96.66 C +ATOM 977 CG GLN A 125 6.768 8.344 6.530 1.00 96.43 C +ATOM 978 CD GLN A 125 7.500 7.526 7.602 1.00 96.22 C +ATOM 979 OE1 GLN A 125 7.439 6.322 7.656 1.00 94.48 O +ATOM 980 NE2 GLN A 125 8.225 8.179 8.469 1.00 93.70 N +ATOM 981 N ILE A 126 3.476 6.758 3.686 1.00 96.69 N +ATOM 982 CA ILE A 126 2.787 5.983 2.650 1.00 96.73 C +ATOM 983 C ILE A 126 2.496 6.873 1.443 1.00 96.70 C +ATOM 984 O ILE A 126 2.790 6.476 0.314 1.00 96.60 O +ATOM 985 CB ILE A 126 1.503 5.329 3.208 1.00 96.82 C +ATOM 986 CG1 ILE A 126 1.843 4.257 4.263 1.00 96.79 C +ATOM 987 CG2 ILE A 126 0.690 4.675 2.072 1.00 96.80 C +ATOM 988 CD1 ILE A 126 0.648 3.857 5.146 1.00 96.51 C +ATOM 989 N CYS A 127 1.995 8.074 1.655 1.00 96.76 N +ATOM 990 CA CYS A 127 1.743 9.009 0.570 1.00 96.70 C +ATOM 991 C CYS A 127 3.020 9.425 -0.172 1.00 96.64 C +ATOM 992 O CYS A 127 2.985 9.536 -1.388 1.00 96.39 O +ATOM 993 CB CYS A 127 1.031 10.254 1.111 1.00 96.59 C +ATOM 994 SG CYS A 127 -0.674 9.834 1.560 1.00 96.38 S +ATOM 995 N GLU A 128 4.117 9.597 0.521 1.00 96.92 N +ATOM 996 CA GLU A 128 5.412 9.911 -0.095 1.00 96.81 C +ATOM 997 C GLU A 128 5.892 8.768 -0.998 1.00 96.93 C +ATOM 998 O GLU A 128 6.229 8.996 -2.160 1.00 96.59 O +ATOM 999 CB GLU A 128 6.446 10.231 1.004 1.00 96.48 C +ATOM 1000 CG GLU A 128 6.167 11.600 1.650 1.00 94.78 C +ATOM 1001 CD GLU A 128 6.992 11.918 2.915 1.00 93.81 C +ATOM 1002 OE1 GLU A 128 6.801 13.046 3.434 1.00 83.91 O +ATOM 1003 OE2 GLU A 128 7.760 11.069 3.394 1.00 81.99 O +ATOM 1004 N GLY A 129 5.826 7.547 -0.514 1.00 96.82 N +ATOM 1005 CA GLY A 129 6.163 6.375 -1.308 1.00 96.78 C +ATOM 1006 C GLY A 129 5.240 6.168 -2.511 1.00 96.90 C +ATOM 1007 O GLY A 129 5.701 5.842 -3.604 1.00 96.72 O +ATOM 1008 N MET A 130 3.967 6.414 -2.340 1.00 96.61 N +ATOM 1009 CA MET A 130 2.981 6.294 -3.418 1.00 96.67 C +ATOM 1010 C MET A 130 3.082 7.422 -4.457 1.00 96.65 C +ATOM 1011 O MET A 130 2.923 7.143 -5.643 1.00 96.46 O +ATOM 1012 CB MET A 130 1.579 6.256 -2.815 1.00 96.64 C +ATOM 1013 CG MET A 130 1.290 4.936 -2.101 1.00 96.48 C +ATOM 1014 SD MET A 130 1.432 3.408 -3.073 1.00 96.27 S +ATOM 1015 CE MET A 130 0.238 3.719 -4.370 1.00 95.35 C +ATOM 1016 N ALA A 131 3.384 8.636 -4.031 1.00 96.70 N +ATOM 1017 CA ALA A 131 3.642 9.744 -4.946 1.00 96.62 C +ATOM 1018 C ALA A 131 4.853 9.452 -5.837 1.00 96.59 C +ATOM 1019 O ALA A 131 4.790 9.622 -7.053 1.00 96.37 O +ATOM 1020 CB ALA A 131 3.856 11.034 -4.143 1.00 96.51 C +ATOM 1021 N TYR A 132 5.915 8.915 -5.250 1.00 96.65 N +ATOM 1022 CA TYR A 132 7.070 8.446 -6.014 1.00 96.52 C +ATOM 1023 C TYR A 132 6.683 7.339 -7.000 1.00 96.58 C +ATOM 1024 O TYR A 132 7.029 7.421 -8.170 1.00 96.34 O +ATOM 1025 CB TYR A 132 8.158 7.973 -5.053 1.00 96.39 C +ATOM 1026 CG TYR A 132 9.269 7.217 -5.743 1.00 96.20 C +ATOM 1027 CD1 TYR A 132 10.301 7.907 -6.391 1.00 95.77 C +ATOM 1028 CD2 TYR A 132 9.241 5.804 -5.782 1.00 95.58 C +ATOM 1029 CE1 TYR A 132 11.323 7.204 -7.071 1.00 94.98 C +ATOM 1030 CE2 TYR A 132 10.250 5.100 -6.452 1.00 95.18 C +ATOM 1031 CZ TYR A 132 11.285 5.790 -7.087 1.00 95.10 C +ATOM 1032 OH TYR A 132 12.268 5.104 -7.739 1.00 94.19 O +ATOM 1033 N LEU A 133 5.931 6.332 -6.565 1.00 96.44 N +ATOM 1034 CA LEU A 133 5.499 5.235 -7.422 1.00 96.39 C +ATOM 1035 C LEU A 133 4.711 5.731 -8.634 1.00 96.45 C +ATOM 1036 O LEU A 133 4.972 5.314 -9.759 1.00 96.09 O +ATOM 1037 CB LEU A 133 4.667 4.258 -6.572 1.00 96.10 C +ATOM 1038 CG LEU A 133 4.266 2.981 -7.325 1.00 94.96 C +ATOM 1039 CD1 LEU A 133 3.244 2.189 -6.524 1.00 94.17 C +ATOM 1040 CD2 LEU A 133 5.473 2.077 -7.576 1.00 93.34 C +ATOM 1041 N HIS A 134 3.783 6.645 -8.421 1.00 96.32 N +ATOM 1042 CA HIS A 134 3.004 7.254 -9.485 1.00 96.24 C +ATOM 1043 C HIS A 134 3.871 8.113 -10.414 1.00 96.11 C +ATOM 1044 O HIS A 134 3.678 8.050 -11.623 1.00 95.83 O +ATOM 1045 CB HIS A 134 1.885 8.096 -8.864 1.00 96.18 C +ATOM 1046 CG HIS A 134 0.759 7.282 -8.294 1.00 96.23 C +ATOM 1047 ND1 HIS A 134 -0.444 7.818 -7.841 1.00 95.46 N1+ +ATOM 1048 CD2 HIS A 134 0.663 5.916 -8.179 1.00 95.22 C +ATOM 1049 CE1 HIS A 134 -1.237 6.811 -7.465 1.00 94.89 C +ATOM 1050 NE2 HIS A 134 -0.602 5.646 -7.665 1.00 95.08 N +ATOM 1051 N ALA A 135 4.859 8.832 -9.887 1.00 96.40 N +ATOM 1052 CA ALA A 135 5.817 9.566 -10.700 1.00 96.21 C +ATOM 1053 C ALA A 135 6.682 8.649 -11.593 1.00 96.28 C +ATOM 1054 O ALA A 135 7.131 9.055 -12.658 1.00 95.86 O +ATOM 1055 CB ALA A 135 6.683 10.423 -9.783 1.00 95.82 C +ATOM 1056 N GLN A 136 6.846 7.387 -11.185 1.00 96.28 N +ATOM 1057 CA GLN A 136 7.476 6.344 -12.010 1.00 96.22 C +ATOM 1058 C GLN A 136 6.485 5.640 -12.962 1.00 96.37 C +ATOM 1059 O GLN A 136 6.836 4.639 -13.580 1.00 95.91 O +ATOM 1060 CB GLN A 136 8.188 5.328 -11.109 1.00 95.77 C +ATOM 1061 CG GLN A 136 9.293 5.936 -10.226 1.00 94.11 C +ATOM 1062 CD GLN A 136 10.338 6.719 -11.007 1.00 92.34 C +ATOM 1063 OE1 GLN A 136 11.006 6.221 -11.891 1.00 86.11 O +ATOM 1064 NE2 GLN A 136 10.491 8.000 -10.707 1.00 84.55 N +ATOM 1065 N HIS A 137 5.280 6.150 -13.089 1.00 96.06 N +ATOM 1066 CA HIS A 137 4.211 5.608 -13.938 1.00 96.01 C +ATOM 1067 C HIS A 137 3.722 4.188 -13.559 1.00 96.29 C +ATOM 1068 O HIS A 137 3.277 3.442 -14.427 1.00 95.87 O +ATOM 1069 CB HIS A 137 4.577 5.750 -15.409 1.00 95.39 C +ATOM 1070 CG HIS A 137 4.935 7.143 -15.800 1.00 94.19 C +ATOM 1071 ND1 HIS A 137 4.080 8.231 -15.787 1.00 90.95 N1+ +ATOM 1072 CD2 HIS A 137 6.165 7.601 -16.220 1.00 87.83 C +ATOM 1073 CE1 HIS A 137 4.761 9.308 -16.178 1.00 86.92 C +ATOM 1074 NE2 HIS A 137 6.043 8.957 -16.458 1.00 89.32 N +ATOM 1075 N TYR A 138 3.746 3.856 -12.309 1.00 96.08 N +ATOM 1076 CA TYR A 138 3.168 2.618 -11.812 1.00 96.14 C +ATOM 1077 C TYR A 138 1.919 2.868 -10.974 1.00 96.24 C +ATOM 1078 O TYR A 138 1.823 3.851 -10.253 1.00 95.96 O +ATOM 1079 CB TYR A 138 4.207 1.833 -11.010 1.00 96.03 C +ATOM 1080 CG TYR A 138 5.420 1.411 -11.819 1.00 95.84 C +ATOM 1081 CD1 TYR A 138 5.313 0.407 -12.799 1.00 95.32 C +ATOM 1082 CD2 TYR A 138 6.658 2.046 -11.607 1.00 95.16 C +ATOM 1083 CE1 TYR A 138 6.426 0.039 -13.565 1.00 94.61 C +ATOM 1084 CE2 TYR A 138 7.782 1.687 -12.371 1.00 94.66 C +ATOM 1085 CZ TYR A 138 7.665 0.686 -13.349 1.00 94.64 C +ATOM 1086 OH TYR A 138 8.763 0.328 -14.107 1.00 94.09 O +ATOM 1087 N ILE A 139 0.996 1.921 -11.016 1.00 96.04 N +ATOM 1088 CA ILE A 139 -0.135 1.809 -10.099 1.00 96.02 C +ATOM 1089 C ILE A 139 0.103 0.584 -9.218 1.00 96.15 C +ATOM 1090 O ILE A 139 0.415 -0.489 -9.749 1.00 95.76 O +ATOM 1091 CB ILE A 139 -1.469 1.701 -10.858 1.00 95.42 C +ATOM 1092 CG1 ILE A 139 -1.680 2.910 -11.793 1.00 92.61 C +ATOM 1093 CG2 ILE A 139 -2.634 1.603 -9.873 1.00 91.58 C +ATOM 1094 CD1 ILE A 139 -2.935 2.771 -12.681 1.00 86.26 C +ATOM 1095 N HIS A 140 -0.066 0.708 -7.911 1.00 96.13 N +ATOM 1096 CA HIS A 140 0.186 -0.381 -6.968 1.00 96.10 C +ATOM 1097 C HIS A 140 -0.913 -1.445 -7.004 1.00 96.07 C +ATOM 1098 O HIS A 140 -0.622 -2.638 -7.004 1.00 95.64 O +ATOM 1099 CB HIS A 140 0.363 0.211 -5.566 1.00 96.02 C +ATOM 1100 CG HIS A 140 0.812 -0.810 -4.562 1.00 95.99 C +ATOM 1101 ND1 HIS A 140 0.009 -1.703 -3.864 1.00 94.94 N1+ +ATOM 1102 CD2 HIS A 140 2.104 -1.055 -4.180 1.00 94.58 C +ATOM 1103 CE1 HIS A 140 0.805 -2.460 -3.091 1.00 94.21 C +ATOM 1104 NE2 HIS A 140 2.079 -2.087 -3.266 1.00 94.58 N +ATOM 1105 N ARG A 141 -2.160 -1.020 -7.016 1.00 96.05 N +ATOM 1106 CA ARG A 141 -3.380 -1.852 -7.065 1.00 95.91 C +ATOM 1107 C ARG A 141 -3.631 -2.750 -5.839 1.00 95.96 C +ATOM 1108 O ARG A 141 -4.609 -3.501 -5.837 1.00 95.42 O +ATOM 1109 CB ARG A 141 -3.427 -2.677 -8.363 1.00 95.36 C +ATOM 1110 CG ARG A 141 -3.413 -1.827 -9.630 1.00 93.86 C +ATOM 1111 CD ARG A 141 -3.295 -2.717 -10.883 1.00 92.49 C +ATOM 1112 NE ARG A 141 -4.351 -3.724 -10.933 1.00 89.93 N +ATOM 1113 CZ ARG A 141 -4.223 -5.029 -11.139 1.00 88.33 C +ATOM 1114 NH1 ARG A 141 -3.084 -5.594 -11.388 1.00 85.59 N +ATOM 1115 NH2 ARG A 141 -5.253 -5.797 -11.104 1.00 86.22 N1+ +ATOM 1116 N ASN A 142 -2.798 -2.702 -4.833 1.00 95.87 N +ATOM 1117 CA ASN A 142 -2.946 -3.520 -3.632 1.00 95.67 C +ATOM 1118 C ASN A 142 -2.478 -2.793 -2.354 1.00 95.84 C +ATOM 1119 O ASN A 142 -1.986 -3.426 -1.410 1.00 95.45 O +ATOM 1120 CB ASN A 142 -2.226 -4.850 -3.861 1.00 95.10 C +ATOM 1121 CG ASN A 142 -2.592 -5.941 -2.863 1.00 92.97 C +ATOM 1122 OD1 ASN A 142 -3.589 -5.897 -2.169 1.00 87.36 O +ATOM 1123 ND2 ASN A 142 -1.790 -6.975 -2.812 1.00 83.43 N +ATOM 1124 N LEU A 143 -2.617 -1.487 -2.323 1.00 96.18 N +ATOM 1125 CA LEU A 143 -2.272 -0.714 -1.137 1.00 96.17 C +ATOM 1126 C LEU A 143 -3.244 -1.045 0.004 1.00 96.13 C +ATOM 1127 O LEU A 143 -4.453 -0.890 -0.130 1.00 95.77 O +ATOM 1128 CB LEU A 143 -2.254 0.779 -1.483 1.00 96.19 C +ATOM 1129 CG LEU A 143 -1.819 1.673 -0.307 1.00 95.96 C +ATOM 1130 CD1 LEU A 143 -1.889 3.138 -0.738 1.00 95.68 C +ATOM 1131 CD2 LEU A 143 -0.393 1.379 0.162 1.00 95.55 C +ATOM 1132 N ALA A 144 -2.710 -1.526 1.100 1.00 95.71 N +ATOM 1133 CA ALA A 144 -3.413 -1.922 2.303 1.00 95.58 C +ATOM 1134 C ALA A 144 -2.418 -2.037 3.463 1.00 95.68 C +ATOM 1135 O ALA A 144 -1.234 -2.275 3.224 1.00 95.38 O +ATOM 1136 CB ALA A 144 -4.088 -3.274 2.052 1.00 95.30 C +ATOM 1137 N ALA A 145 -2.873 -1.977 4.712 1.00 95.79 N +ATOM 1138 CA ALA A 145 -1.995 -2.055 5.885 1.00 95.78 C +ATOM 1139 C ALA A 145 -1.169 -3.352 5.949 1.00 95.87 C +ATOM 1140 O ALA A 145 -0.038 -3.342 6.435 1.00 95.59 O +ATOM 1141 CB ALA A 145 -2.854 -1.898 7.137 1.00 95.58 C +ATOM 1142 N ARG A 146 -1.683 -4.455 5.410 1.00 95.52 N +ATOM 1143 CA ARG A 146 -0.944 -5.730 5.282 1.00 95.21 C +ATOM 1144 C ARG A 146 0.279 -5.653 4.370 1.00 95.38 C +ATOM 1145 O ARG A 146 1.159 -6.499 4.499 1.00 94.75 O +ATOM 1146 CB ARG A 146 -1.895 -6.832 4.798 1.00 94.35 C +ATOM 1147 CG ARG A 146 -2.358 -6.628 3.348 1.00 89.75 C +ATOM 1148 CD ARG A 146 -3.266 -7.752 2.849 1.00 87.36 C +ATOM 1149 NE ARG A 146 -3.699 -7.474 1.478 1.00 81.96 N +ATOM 1150 CZ ARG A 146 -4.780 -6.782 1.115 1.00 78.70 C +ATOM 1151 NH1 ARG A 146 -5.648 -6.362 1.982 1.00 70.97 N +ATOM 1152 NH2 ARG A 146 -4.975 -6.500 -0.129 1.00 70.71 N1+ +ATOM 1153 N ASN A 147 0.309 -4.688 3.466 1.00 95.98 N +ATOM 1154 CA ASN A 147 1.374 -4.488 2.486 1.00 95.89 C +ATOM 1155 C ASN A 147 2.263 -3.287 2.818 1.00 96.00 C +ATOM 1156 O ASN A 147 3.122 -2.928 2.019 1.00 95.68 O +ATOM 1157 CB ASN A 147 0.743 -4.371 1.083 1.00 95.66 C +ATOM 1158 CG ASN A 147 0.042 -5.639 0.627 1.00 95.08 C +ATOM 1159 OD1 ASN A 147 0.242 -6.718 1.155 1.00 93.52 O +ATOM 1160 ND2 ASN A 147 -0.793 -5.546 -0.379 1.00 92.85 N +ATOM 1161 N VAL A 148 2.061 -2.672 3.959 1.00 96.35 N +ATOM 1162 CA VAL A 148 2.941 -1.653 4.504 1.00 96.35 C +ATOM 1163 C VAL A 148 3.721 -2.262 5.660 1.00 96.34 C +ATOM 1164 O VAL A 148 3.142 -2.727 6.642 1.00 96.12 O +ATOM 1165 CB VAL A 148 2.163 -0.405 4.930 1.00 96.32 C +ATOM 1166 CG1 VAL A 148 1.350 0.180 3.768 1.00 96.16 C +ATOM 1167 CG2 VAL A 148 3.136 0.678 5.414 1.00 96.23 C +ATOM 1168 N LEU A 149 5.025 -2.285 5.533 1.00 96.69 N +ATOM 1169 CA LEU A 149 5.947 -2.881 6.485 1.00 96.60 C +ATOM 1170 C LEU A 149 6.587 -1.796 7.350 1.00 96.68 C +ATOM 1171 O LEU A 149 6.851 -0.699 6.891 1.00 96.31 O +ATOM 1172 CB LEU A 149 7.011 -3.686 5.729 1.00 96.22 C +ATOM 1173 CG LEU A 149 6.462 -4.763 4.778 1.00 95.03 C +ATOM 1174 CD1 LEU A 149 7.625 -5.415 4.035 1.00 93.92 C +ATOM 1175 CD2 LEU A 149 5.716 -5.870 5.528 1.00 92.54 C +ATOM 1176 N LEU A 150 6.850 -2.118 8.593 1.00 96.18 N +ATOM 1177 CA LEU A 150 7.448 -1.229 9.573 1.00 96.03 C +ATOM 1178 C LEU A 150 8.906 -1.637 9.828 1.00 96.07 C +ATOM 1179 O LEU A 150 9.174 -2.721 10.349 1.00 95.55 O +ATOM 1180 CB LEU A 150 6.555 -1.269 10.818 1.00 95.43 C +ATOM 1181 CG LEU A 150 6.968 -0.264 11.920 1.00 92.65 C +ATOM 1182 CD1 LEU A 150 6.107 -0.485 13.157 1.00 90.55 C +ATOM 1183 CD2 LEU A 150 6.755 1.179 11.475 1.00 88.41 C +ATOM 1184 N ASP A 151 9.814 -0.745 9.489 1.00 95.06 N +ATOM 1185 CA ASP A 151 11.255 -0.975 9.675 1.00 94.83 C +ATOM 1186 C ASP A 151 11.693 -0.657 11.112 1.00 94.88 C +ATOM 1187 O ASP A 151 12.389 -1.435 11.756 1.00 94.07 O +ATOM 1188 CB ASP A 151 11.995 -0.108 8.650 1.00 93.85 C +ATOM 1189 CG ASP A 151 13.496 -0.417 8.587 1.00 90.75 C +ATOM 1190 OD1 ASP A 151 13.849 -1.622 8.654 1.00 86.08 O +ATOM 1191 OD2 ASP A 151 14.267 0.544 8.417 1.00 82.71 O +ATOM 1192 N ASN A 152 11.206 0.462 11.610 1.00 94.91 N +ATOM 1193 CA ASN A 152 11.374 0.897 12.995 1.00 94.75 C +ATOM 1194 C ASN A 152 10.164 1.750 13.413 1.00 94.82 C +ATOM 1195 O ASN A 152 9.233 1.936 12.621 1.00 94.32 O +ATOM 1196 CB ASN A 152 12.722 1.650 13.141 1.00 94.33 C +ATOM 1197 CG ASN A 152 12.800 2.886 12.269 1.00 93.60 C +ATOM 1198 OD1 ASN A 152 12.056 3.840 12.462 1.00 91.43 O +ATOM 1199 ND2 ASN A 152 13.684 2.914 11.298 1.00 90.37 N +ATOM 1200 N ASP A 153 10.159 2.271 14.591 1.00 93.47 N +ATOM 1201 CA ASP A 153 9.044 3.056 15.149 1.00 93.36 C +ATOM 1202 C ASP A 153 8.685 4.334 14.359 1.00 93.71 C +ATOM 1203 O ASP A 153 7.643 4.936 14.627 1.00 92.41 O +ATOM 1204 CB ASP A 153 9.332 3.369 16.613 1.00 91.74 C +ATOM 1205 CG ASP A 153 10.519 4.316 16.843 1.00 85.87 C +ATOM 1206 OD1 ASP A 153 11.478 4.281 16.048 1.00 77.19 O +ATOM 1207 OD2 ASP A 153 10.480 5.102 17.831 1.00 74.97 O +ATOM 1208 N ARG A 154 9.511 4.734 13.415 1.00 93.40 N +ATOM 1209 CA ARG A 154 9.331 5.961 12.618 1.00 93.12 C +ATOM 1210 C ARG A 154 9.370 5.752 11.113 1.00 93.83 C +ATOM 1211 O ARG A 154 9.240 6.742 10.392 1.00 92.45 O +ATOM 1212 CB ARG A 154 10.375 7.000 13.022 1.00 90.79 C +ATOM 1213 CG ARG A 154 10.220 7.424 14.476 1.00 81.16 C +ATOM 1214 CD ARG A 154 11.188 8.574 14.790 1.00 73.45 C +ATOM 1215 NE ARG A 154 11.072 8.958 16.206 1.00 66.93 N +ATOM 1216 CZ ARG A 154 11.649 9.996 16.776 1.00 59.22 C +ATOM 1217 NH1 ARG A 154 12.399 10.815 16.096 1.00 52.38 N +ATOM 1218 NH2 ARG A 154 11.459 10.223 18.038 1.00 49.40 N1+ +ATOM 1219 N LEU A 155 9.575 4.552 10.622 1.00 96.07 N +ATOM 1220 CA LEU A 155 9.805 4.322 9.189 1.00 96.11 C +ATOM 1221 C LEU A 155 8.967 3.167 8.665 1.00 96.30 C +ATOM 1222 O LEU A 155 9.173 2.019 9.059 1.00 95.89 O +ATOM 1223 CB LEU A 155 11.303 4.098 8.954 1.00 95.69 C +ATOM 1224 CG LEU A 155 11.689 3.910 7.476 1.00 94.27 C +ATOM 1225 CD1 LEU A 155 13.185 3.629 7.364 1.00 93.34 C +ATOM 1226 CD2 LEU A 155 11.383 5.149 6.642 1.00 91.96 C +ATOM 1227 N VAL A 156 8.087 3.466 7.725 1.00 96.47 N +ATOM 1228 CA VAL A 156 7.315 2.466 6.987 1.00 96.52 C +ATOM 1229 C VAL A 156 7.784 2.347 5.547 1.00 96.60 C +ATOM 1230 O VAL A 156 8.290 3.301 4.959 1.00 96.24 O +ATOM 1231 CB VAL A 156 5.802 2.721 7.046 1.00 96.20 C +ATOM 1232 CG1 VAL A 156 5.283 2.600 8.475 1.00 95.12 C +ATOM 1233 CG2 VAL A 156 5.379 4.066 6.456 1.00 94.72 C +ATOM 1234 N LYS A 157 7.572 1.177 4.986 1.00 96.73 N +ATOM 1235 CA LYS A 157 7.904 0.859 3.599 1.00 96.62 C +ATOM 1236 C LYS A 157 6.760 0.089 2.942 1.00 96.70 C +ATOM 1237 O LYS A 157 6.267 -0.891 3.492 1.00 96.39 O +ATOM 1238 CB LYS A 157 9.206 0.049 3.530 1.00 96.30 C +ATOM 1239 CG LYS A 157 10.376 0.807 4.156 1.00 95.58 C +ATOM 1240 CD LYS A 157 11.697 0.095 3.917 1.00 94.82 C +ATOM 1241 CE LYS A 157 12.813 0.901 4.580 1.00 93.36 C +ATOM 1242 NZ LYS A 157 14.150 0.461 4.119 1.00 91.43 N1+ +ATOM 1243 N ILE A 158 6.383 0.516 1.759 1.00 96.53 N +ATOM 1244 CA ILE A 158 5.384 -0.171 0.943 1.00 96.57 C +ATOM 1245 C ILE A 158 6.027 -1.411 0.316 1.00 96.60 C +ATOM 1246 O ILE A 158 7.135 -1.343 -0.222 1.00 96.38 O +ATOM 1247 CB ILE A 158 4.801 0.779 -0.118 1.00 96.51 C +ATOM 1248 CG1 ILE A 158 4.185 2.029 0.538 1.00 96.20 C +ATOM 1249 CG2 ILE A 158 3.740 0.054 -0.969 1.00 96.17 C +ATOM 1250 CD1 ILE A 158 3.930 3.167 -0.451 1.00 95.56 C +ATOM 1251 N GLY A 159 5.338 -2.527 0.380 1.00 95.70 N +ATOM 1252 CA GLY A 159 5.733 -3.785 -0.229 1.00 95.41 C +ATOM 1253 C GLY A 159 4.628 -4.413 -1.076 1.00 95.55 C +ATOM 1254 O GLY A 159 3.588 -3.811 -1.338 1.00 94.77 O +ATOM 1255 N ASP A 160 4.852 -5.644 -1.487 1.00 94.43 N +ATOM 1256 CA ASP A 160 3.970 -6.476 -2.315 1.00 94.27 C +ATOM 1257 C ASP A 160 3.518 -5.838 -3.635 1.00 94.56 C +ATOM 1258 O ASP A 160 2.341 -5.559 -3.871 1.00 93.44 O +ATOM 1259 CB ASP A 160 2.818 -7.072 -1.505 1.00 92.78 C +ATOM 1260 CG ASP A 160 2.166 -8.253 -2.236 1.00 85.92 C +ATOM 1261 OD1 ASP A 160 2.680 -8.704 -3.279 1.00 73.54 O +ATOM 1262 OD2 ASP A 160 1.153 -8.764 -1.740 1.00 71.62 O +ATOM 1263 N PHE A 161 4.451 -5.698 -4.535 1.00 95.39 N +ATOM 1264 CA PHE A 161 4.218 -5.184 -5.886 1.00 95.38 C +ATOM 1265 C PHE A 161 3.629 -6.235 -6.852 1.00 95.27 C +ATOM 1266 O PHE A 161 3.635 -6.028 -8.058 1.00 94.13 O +ATOM 1267 CB PHE A 161 5.503 -4.547 -6.403 1.00 94.99 C +ATOM 1268 CG PHE A 161 5.862 -3.283 -5.654 1.00 95.06 C +ATOM 1269 CD1 PHE A 161 5.435 -2.043 -6.143 1.00 93.93 C +ATOM 1270 CD2 PHE A 161 6.562 -3.345 -4.440 1.00 93.75 C +ATOM 1271 CE1 PHE A 161 5.680 -0.870 -5.413 1.00 92.70 C +ATOM 1272 CE2 PHE A 161 6.804 -2.180 -3.691 1.00 92.98 C +ATOM 1273 CZ PHE A 161 6.356 -0.942 -4.181 1.00 93.23 C +ATOM 1274 N GLY A 162 3.085 -7.324 -6.336 1.00 94.72 N +ATOM 1275 CA GLY A 162 2.556 -8.421 -7.145 1.00 94.45 C +ATOM 1276 C GLY A 162 1.402 -8.037 -8.075 1.00 94.73 C +ATOM 1277 O GLY A 162 1.259 -8.616 -9.154 1.00 93.91 O +ATOM 1278 N LEU A 163 0.608 -7.051 -7.702 1.00 95.18 N +ATOM 1279 CA LEU A 163 -0.458 -6.501 -8.528 1.00 95.28 C +ATOM 1280 C LEU A 163 -0.067 -5.210 -9.260 1.00 95.32 C +ATOM 1281 O LEU A 163 -0.858 -4.734 -10.077 1.00 94.75 O +ATOM 1282 CB LEU A 163 -1.717 -6.293 -7.681 1.00 95.05 C +ATOM 1283 CG LEU A 163 -2.393 -7.583 -7.200 1.00 94.35 C +ATOM 1284 CD1 LEU A 163 -3.656 -7.234 -6.399 1.00 93.67 C +ATOM 1285 CD2 LEU A 163 -2.829 -8.459 -8.369 1.00 92.98 C +ATOM 1286 N ALA A 164 1.093 -4.645 -8.986 1.00 95.86 N +ATOM 1287 CA ALA A 164 1.517 -3.393 -9.577 1.00 95.80 C +ATOM 1288 C ALA A 164 1.607 -3.494 -11.101 1.00 95.86 C +ATOM 1289 O ALA A 164 1.980 -4.527 -11.668 1.00 95.26 O +ATOM 1290 CB ALA A 164 2.829 -2.939 -8.937 1.00 95.40 C +ATOM 1291 N LYS A 165 1.252 -2.417 -11.777 1.00 95.45 N +ATOM 1292 CA LYS A 165 1.278 -2.337 -13.246 1.00 95.21 C +ATOM 1293 C LYS A 165 1.821 -0.992 -13.691 1.00 95.48 C +ATOM 1294 O LYS A 165 1.508 0.026 -13.099 1.00 95.01 O +ATOM 1295 CB LYS A 165 -0.119 -2.555 -13.819 1.00 94.37 C +ATOM 1296 CG LYS A 165 -0.672 -3.972 -13.607 1.00 90.17 C +ATOM 1297 CD LYS A 165 0.144 -5.054 -14.316 1.00 86.19 C +ATOM 1298 CE LYS A 165 -0.435 -6.437 -14.020 1.00 79.73 C +ATOM 1299 NZ LYS A 165 0.403 -7.503 -14.627 1.00 73.05 N1+ +ATOM 1300 N ALA A 166 2.560 -1.008 -14.779 1.00 94.81 N +ATOM 1301 CA ALA A 166 2.889 0.193 -15.510 1.00 94.73 C +ATOM 1302 C ALA A 166 1.634 0.726 -16.208 1.00 94.71 C +ATOM 1303 O ALA A 166 0.872 -0.038 -16.824 1.00 93.90 O +ATOM 1304 CB ALA A 166 3.998 -0.113 -16.507 1.00 94.04 C +ATOM 1305 N VAL A 167 1.432 2.027 -16.129 1.00 93.14 N +ATOM 1306 CA VAL A 167 0.420 2.700 -16.930 1.00 92.88 C +ATOM 1307 C VAL A 167 1.005 2.939 -18.315 1.00 92.71 C +ATOM 1308 O VAL A 167 2.056 3.547 -18.432 1.00 91.72 O +ATOM 1309 CB VAL A 167 -0.025 4.011 -16.278 1.00 92.22 C +ATOM 1310 CG1 VAL A 167 -0.572 3.771 -14.875 1.00 90.86 C +ATOM 1311 CG2 VAL A 167 -1.133 4.686 -17.096 1.00 91.09 C +ATOM 1312 N PRO A 168 0.363 2.453 -19.376 1.00 89.93 N +ATOM 1313 CA PRO A 168 0.870 2.660 -20.721 1.00 89.24 C +ATOM 1314 C PRO A 168 0.959 4.136 -21.073 1.00 89.15 C +ATOM 1315 O PRO A 168 0.083 4.917 -20.686 1.00 87.81 O +ATOM 1316 CB PRO A 168 -0.097 1.919 -21.657 1.00 87.79 C +ATOM 1317 CG PRO A 168 -0.756 0.891 -20.755 1.00 86.24 C +ATOM 1318 CD PRO A 168 -0.806 1.599 -19.410 1.00 87.72 C +ATOM 1319 N GLU A 169 1.959 4.525 -21.807 1.00 86.86 N +ATOM 1320 CA GLU A 169 2.149 5.911 -22.232 1.00 86.39 C +ATOM 1321 C GLU A 169 0.912 6.413 -22.985 1.00 86.49 C +ATOM 1322 O GLU A 169 0.328 5.692 -23.807 1.00 82.53 O +ATOM 1323 CB GLU A 169 3.413 6.011 -23.064 1.00 83.17 C +ATOM 1324 CG GLU A 169 3.828 7.468 -23.314 1.00 76.17 C +ATOM 1325 CD GLU A 169 5.156 7.612 -24.047 1.00 70.54 C +ATOM 1326 OE1 GLU A 169 5.659 8.761 -24.106 1.00 60.95 O +ATOM 1327 OE2 GLU A 169 5.670 6.597 -24.555 1.00 59.28 O +ATOM 1328 N GLY A 170 0.505 7.624 -22.693 1.00 86.98 N +ATOM 1329 CA GLY A 170 -0.707 8.222 -23.247 1.00 86.82 C +ATOM 1330 C GLY A 170 -2.021 7.684 -22.701 1.00 87.61 C +ATOM 1331 O GLY A 170 -3.080 8.079 -23.180 1.00 85.77 O +ATOM 1332 N HIS A 171 -1.991 6.826 -21.697 1.00 87.67 N +ATOM 1333 CA HIS A 171 -3.168 6.329 -20.996 1.00 87.79 C +ATOM 1334 C HIS A 171 -3.251 6.883 -19.581 1.00 88.61 C +ATOM 1335 O HIS A 171 -2.245 7.147 -18.939 1.00 86.92 O +ATOM 1336 CB HIS A 171 -3.169 4.800 -20.991 1.00 86.68 C +ATOM 1337 CG HIS A 171 -3.343 4.184 -22.360 1.00 86.59 C +ATOM 1338 ND1 HIS A 171 -2.366 4.130 -23.337 1.00 77.92 N1+ +ATOM 1339 CD2 HIS A 171 -4.471 3.583 -22.869 1.00 77.99 C +ATOM 1340 CE1 HIS A 171 -2.889 3.528 -24.412 1.00 77.17 C +ATOM 1341 NE2 HIS A 171 -4.156 3.174 -24.166 1.00 79.62 N +ATOM 1342 N GLU A 172 -4.456 7.018 -19.089 1.00 89.53 N +ATOM 1343 CA GLU A 172 -4.715 7.455 -17.715 1.00 89.51 C +ATOM 1344 C GLU A 172 -4.970 6.283 -16.758 1.00 90.36 C +ATOM 1345 O GLU A 172 -4.960 6.456 -15.558 1.00 88.19 O +ATOM 1346 CB GLU A 172 -5.909 8.418 -17.720 1.00 86.75 C +ATOM 1347 CG GLU A 172 -5.621 9.691 -18.509 1.00 79.79 C +ATOM 1348 CD GLU A 172 -6.769 10.701 -18.455 1.00 76.93 C +ATOM 1349 OE1 GLU A 172 -6.525 11.858 -18.866 1.00 64.88 O +ATOM 1350 OE2 GLU A 172 -7.893 10.336 -18.014 1.00 62.78 O +ATOM 1351 N TYR A 173 -5.228 5.119 -17.314 1.00 91.63 N +ATOM 1352 CA TYR A 173 -5.560 3.930 -16.522 1.00 92.23 C +ATOM 1353 C TYR A 173 -4.980 2.656 -17.122 1.00 92.45 C +ATOM 1354 O TYR A 173 -4.683 2.543 -18.307 1.00 90.89 O +ATOM 1355 CB TYR A 173 -7.085 3.814 -16.396 1.00 91.24 C +ATOM 1356 CG TYR A 173 -7.829 3.579 -17.710 1.00 91.57 C +ATOM 1357 CD1 TYR A 173 -8.324 4.662 -18.457 1.00 90.44 C +ATOM 1358 CD2 TYR A 173 -8.030 2.269 -18.172 1.00 90.55 C +ATOM 1359 CE1 TYR A 173 -9.004 4.441 -19.660 1.00 89.60 C +ATOM 1360 CE2 TYR A 173 -8.701 2.034 -19.376 1.00 89.88 C +ATOM 1361 CZ TYR A 173 -9.191 3.128 -20.112 1.00 90.19 C +ATOM 1362 OH TYR A 173 -9.860 2.897 -21.296 1.00 87.83 O +ATOM 1363 N TYR A 174 -4.889 1.646 -16.282 1.00 92.65 N +ATOM 1364 CA TYR A 174 -4.665 0.268 -16.673 1.00 92.63 C +ATOM 1365 C TYR A 174 -5.987 -0.510 -16.595 1.00 92.69 C +ATOM 1366 O TYR A 174 -6.774 -0.310 -15.681 1.00 91.60 O +ATOM 1367 CB TYR A 174 -3.595 -0.337 -15.763 1.00 91.58 C +ATOM 1368 CG TYR A 174 -3.315 -1.790 -16.065 1.00 90.27 C +ATOM 1369 CD1 TYR A 174 -2.476 -2.137 -17.148 1.00 88.16 C +ATOM 1370 CD2 TYR A 174 -3.927 -2.808 -15.315 1.00 87.34 C +ATOM 1371 CE1 TYR A 174 -2.247 -3.479 -17.470 1.00 85.72 C +ATOM 1372 CE2 TYR A 174 -3.703 -4.161 -15.639 1.00 86.56 C +ATOM 1373 CZ TYR A 174 -2.865 -4.488 -16.709 1.00 86.27 C +ATOM 1374 OH TYR A 174 -2.636 -5.807 -17.030 1.00 84.00 O +ATOM 1375 N ARG A 175 -6.227 -1.403 -17.528 1.00 91.40 N +ATOM 1376 CA ARG A 175 -7.423 -2.259 -17.527 1.00 91.09 C +ATOM 1377 C ARG A 175 -7.060 -3.710 -17.292 1.00 90.93 C +ATOM 1378 O ARG A 175 -6.266 -4.263 -18.039 1.00 89.82 O +ATOM 1379 CB ARG A 175 -8.224 -2.076 -18.830 1.00 90.26 C +ATOM 1380 CG ARG A 175 -9.661 -2.578 -18.678 1.00 86.83 C +ATOM 1381 CD ARG A 175 -10.462 -2.314 -19.952 1.00 86.12 C +ATOM 1382 NE ARG A 175 -11.884 -2.257 -19.652 1.00 82.58 N +ATOM 1383 CZ ARG A 175 -12.851 -1.871 -20.485 1.00 80.86 C +ATOM 1384 NH1 ARG A 175 -12.601 -1.604 -21.740 1.00 75.09 N +ATOM 1385 NH2 ARG A 175 -14.058 -1.727 -20.061 1.00 75.85 N1+ +ATOM 1386 N VAL A 176 -7.669 -4.308 -16.308 1.00 88.09 N +ATOM 1387 CA VAL A 176 -7.490 -5.723 -16.014 1.00 87.67 C +ATOM 1388 C VAL A 176 -8.431 -6.555 -16.873 1.00 87.28 C +ATOM 1389 O VAL A 176 -9.553 -6.164 -17.142 1.00 84.53 O +ATOM 1390 CB VAL A 176 -7.661 -6.003 -14.503 1.00 85.72 C +ATOM 1391 CG1 VAL A 176 -6.662 -5.191 -13.707 1.00 83.92 C +ATOM 1392 CG2 VAL A 176 -7.446 -7.482 -14.150 1.00 83.19 C +ATOM 1393 N ARG A 177 -7.953 -7.694 -17.300 1.00 80.51 N +ATOM 1394 CA ARG A 177 -8.733 -8.635 -18.103 1.00 79.64 C +ATOM 1395 C ARG A 177 -8.906 -10.002 -17.441 1.00 79.98 C +ATOM 1396 O ARG A 177 -9.547 -10.869 -18.024 1.00 73.62 O +ATOM 1397 CB ARG A 177 -8.093 -8.807 -19.494 1.00 74.88 C +ATOM 1398 CG ARG A 177 -8.059 -7.519 -20.308 1.00 68.09 C +ATOM 1399 CD ARG A 177 -7.525 -7.832 -21.702 1.00 63.33 C +ATOM 1400 NE ARG A 177 -7.458 -6.627 -22.531 1.00 58.12 N +ATOM 1401 CZ ARG A 177 -7.083 -6.591 -23.799 1.00 50.45 C +ATOM 1402 NH1 ARG A 177 -6.733 -7.663 -24.425 1.00 49.02 N +ATOM 1403 NH2 ARG A 177 -7.060 -5.462 -24.431 1.00 45.15 N1+ +ATOM 1404 N GLU A 178 -8.318 -10.197 -16.312 1.00 75.45 N +ATOM 1405 CA GLU A 178 -8.238 -11.478 -15.646 1.00 73.44 C +ATOM 1406 C GLU A 178 -9.026 -11.444 -14.349 1.00 73.62 C +ATOM 1407 O GLU A 178 -8.859 -10.539 -13.542 1.00 68.67 O +ATOM 1408 CB GLU A 178 -6.765 -11.821 -15.376 1.00 68.96 C +ATOM 1409 CG GLU A 178 -5.962 -11.923 -16.680 1.00 63.58 C +ATOM 1410 CD GLU A 178 -4.451 -12.059 -16.441 1.00 59.63 C +ATOM 1411 OE1 GLU A 178 -3.705 -11.945 -17.436 1.00 51.26 O +ATOM 1412 OE2 GLU A 178 -4.031 -12.312 -15.295 1.00 49.00 O +ATOM 1413 N ASP A 179 -9.855 -12.437 -14.137 1.00 72.88 N +ATOM 1414 CA ASP A 179 -10.460 -12.698 -12.857 1.00 72.66 C +ATOM 1415 C ASP A 179 -9.426 -13.346 -11.932 1.00 73.24 C +ATOM 1416 O ASP A 179 -8.637 -14.190 -12.358 1.00 68.60 O +ATOM 1417 CB ASP A 179 -11.692 -13.594 -13.026 1.00 68.67 C +ATOM 1418 CG ASP A 179 -12.836 -12.905 -13.762 1.00 65.77 C +ATOM 1419 OD1 ASP A 179 -12.977 -11.670 -13.583 1.00 57.29 O +ATOM 1420 OD2 ASP A 179 -13.557 -13.602 -14.498 1.00 57.17 O +ATOM 1421 N GLY A 180 -9.436 -12.954 -10.678 1.00 75.03 N +ATOM 1422 CA GLY A 180 -8.561 -13.525 -9.668 1.00 74.18 C +ATOM 1423 C GLY A 180 -8.876 -12.965 -8.294 1.00 75.62 C +ATOM 1424 O GLY A 180 -9.713 -12.071 -8.149 1.00 71.35 O +ATOM 1425 N ASP A 181 -8.196 -13.461 -7.287 1.00 79.33 N +ATOM 1426 CA ASP A 181 -8.332 -12.971 -5.920 1.00 80.16 C +ATOM 1427 C ASP A 181 -7.882 -11.516 -5.840 1.00 81.50 C +ATOM 1428 O ASP A 181 -6.697 -11.198 -5.775 1.00 78.67 O +ATOM 1429 CB ASP A 181 -7.572 -13.876 -4.954 1.00 76.91 C +ATOM 1430 CG ASP A 181 -8.290 -15.190 -4.676 1.00 73.63 C +ATOM 1431 OD1 ASP A 181 -9.514 -15.259 -4.862 1.00 67.47 O +ATOM 1432 OD2 ASP A 181 -7.599 -16.141 -4.248 1.00 67.89 O +ATOM 1433 N SER A 182 -8.847 -10.646 -5.867 1.00 88.99 N +ATOM 1434 CA SER A 182 -8.652 -9.204 -5.811 1.00 89.34 C +ATOM 1435 C SER A 182 -9.051 -8.674 -4.439 1.00 89.78 C +ATOM 1436 O SER A 182 -10.075 -9.089 -3.890 1.00 88.71 O +ATOM 1437 CB SER A 182 -9.462 -8.543 -6.912 1.00 88.11 C +ATOM 1438 OG SER A 182 -8.924 -8.869 -8.189 1.00 84.51 O +ATOM 1439 N PRO A 183 -8.336 -7.724 -3.875 1.00 93.22 N +ATOM 1440 CA PRO A 183 -8.662 -7.105 -2.591 1.00 93.23 C +ATOM 1441 C PRO A 183 -9.833 -6.118 -2.746 1.00 93.55 C +ATOM 1442 O PRO A 183 -9.665 -4.920 -2.568 1.00 92.85 O +ATOM 1443 CB PRO A 183 -7.350 -6.468 -2.118 1.00 92.47 C +ATOM 1444 CG PRO A 183 -6.687 -6.042 -3.425 1.00 91.26 C +ATOM 1445 CD PRO A 183 -7.061 -7.180 -4.369 1.00 92.62 C +ATOM 1446 N VAL A 184 -11.003 -6.620 -3.054 1.00 95.27 N +ATOM 1447 CA VAL A 184 -12.178 -5.843 -3.475 1.00 95.28 C +ATOM 1448 C VAL A 184 -12.611 -4.794 -2.456 1.00 95.40 C +ATOM 1449 O VAL A 184 -13.015 -3.700 -2.853 1.00 94.93 O +ATOM 1450 CB VAL A 184 -13.363 -6.755 -3.829 1.00 94.75 C +ATOM 1451 CG1 VAL A 184 -13.027 -7.620 -5.033 1.00 93.37 C +ATOM 1452 CG2 VAL A 184 -13.815 -7.649 -2.674 1.00 93.10 C +ATOM 1453 N PHE A 185 -12.427 -5.046 -1.173 1.00 95.15 N +ATOM 1454 CA PHE A 185 -12.787 -4.099 -0.112 1.00 95.27 C +ATOM 1455 C PHE A 185 -11.870 -2.874 -0.041 1.00 95.32 C +ATOM 1456 O PHE A 185 -12.196 -1.910 0.639 1.00 94.98 O +ATOM 1457 CB PHE A 185 -12.817 -4.837 1.222 1.00 95.19 C +ATOM 1458 CG PHE A 185 -13.798 -5.983 1.260 1.00 95.23 C +ATOM 1459 CD1 PHE A 185 -15.184 -5.741 1.228 1.00 94.70 C +ATOM 1460 CD2 PHE A 185 -13.331 -7.301 1.326 1.00 94.69 C +ATOM 1461 CE1 PHE A 185 -16.078 -6.806 1.277 1.00 94.05 C +ATOM 1462 CE2 PHE A 185 -14.242 -8.374 1.375 1.00 94.00 C +ATOM 1463 CZ PHE A 185 -15.609 -8.123 1.353 1.00 94.04 C +ATOM 1464 N TRP A 186 -10.773 -2.885 -0.749 1.00 94.97 N +ATOM 1465 CA TRP A 186 -9.906 -1.722 -0.945 1.00 94.99 C +ATOM 1466 C TRP A 186 -10.102 -1.050 -2.314 1.00 95.06 C +ATOM 1467 O TRP A 186 -9.431 -0.063 -2.594 1.00 94.89 O +ATOM 1468 CB TRP A 186 -8.440 -2.128 -0.759 1.00 95.04 C +ATOM 1469 CG TRP A 186 -8.036 -2.399 0.661 1.00 95.25 C +ATOM 1470 CD1 TRP A 186 -7.347 -1.559 1.461 1.00 95.07 C +ATOM 1471 CD2 TRP A 186 -8.347 -3.593 1.471 1.00 95.23 C +ATOM 1472 NE1 TRP A 186 -7.202 -2.141 2.726 1.00 94.86 N +ATOM 1473 CE2 TRP A 186 -7.816 -3.375 2.765 1.00 94.95 C +ATOM 1474 CE3 TRP A 186 -9.028 -4.812 1.242 1.00 94.91 C +ATOM 1475 CZ2 TRP A 186 -7.956 -4.321 3.820 1.00 94.50 C +ATOM 1476 CZ3 TRP A 186 -9.168 -5.754 2.286 1.00 94.59 C +ATOM 1477 CH2 TRP A 186 -8.643 -5.502 3.562 1.00 94.43 C +ATOM 1478 N TYR A 187 -10.968 -1.580 -3.154 1.00 95.85 N +ATOM 1479 CA TYR A 187 -11.125 -1.101 -4.510 1.00 95.77 C +ATOM 1480 C TYR A 187 -12.182 -0.014 -4.641 1.00 95.97 C +ATOM 1481 O TYR A 187 -13.262 -0.098 -4.073 1.00 95.60 O +ATOM 1482 CB TYR A 187 -11.392 -2.267 -5.470 1.00 95.38 C +ATOM 1483 CG TYR A 187 -10.184 -3.113 -5.857 1.00 94.54 C +ATOM 1484 CD1 TYR A 187 -8.883 -2.849 -5.384 1.00 93.36 C +ATOM 1485 CD2 TYR A 187 -10.369 -4.175 -6.758 1.00 92.63 C +ATOM 1486 CE1 TYR A 187 -7.794 -3.621 -5.797 1.00 92.26 C +ATOM 1487 CE2 TYR A 187 -9.285 -4.957 -7.184 1.00 91.98 C +ATOM 1488 CZ TYR A 187 -7.997 -4.677 -6.706 1.00 92.11 C +ATOM 1489 OH TYR A 187 -6.930 -5.438 -7.116 1.00 91.66 O +ATOM 1490 N ALA A 188 -11.859 0.975 -5.453 1.00 95.70 N +ATOM 1491 CA ALA A 188 -12.773 2.015 -5.884 1.00 95.65 C +ATOM 1492 C ALA A 188 -13.854 1.472 -6.836 1.00 95.69 C +ATOM 1493 O ALA A 188 -13.655 0.435 -7.483 1.00 95.54 O +ATOM 1494 CB ALA A 188 -11.931 3.102 -6.547 1.00 95.53 C +ATOM 1495 N PRO A 189 -14.992 2.190 -7.006 1.00 95.29 N +ATOM 1496 CA PRO A 189 -16.081 1.749 -7.874 1.00 95.09 C +ATOM 1497 C PRO A 189 -15.663 1.425 -9.314 1.00 95.14 C +ATOM 1498 O PRO A 189 -16.077 0.399 -9.837 1.00 94.85 O +ATOM 1499 CB PRO A 189 -17.080 2.911 -7.847 1.00 94.79 C +ATOM 1500 CG PRO A 189 -16.862 3.516 -6.465 1.00 94.01 C +ATOM 1501 CD PRO A 189 -15.346 3.374 -6.262 1.00 94.79 C +ATOM 1502 N GLU A 190 -14.808 2.208 -9.921 1.00 94.99 N +ATOM 1503 CA GLU A 190 -14.335 1.965 -11.308 1.00 94.94 C +ATOM 1504 C GLU A 190 -13.502 0.675 -11.422 1.00 94.83 C +ATOM 1505 O GLU A 190 -13.472 0.066 -12.496 1.00 94.27 O +ATOM 1506 CB GLU A 190 -13.524 3.176 -11.805 1.00 94.72 C +ATOM 1507 CG GLU A 190 -12.136 3.433 -11.166 1.00 93.97 C +ATOM 1508 CD GLU A 190 -12.145 4.200 -9.835 1.00 93.94 C +ATOM 1509 OE1 GLU A 190 -11.054 4.446 -9.302 1.00 87.63 O +ATOM 1510 OE2 GLU A 190 -13.211 4.559 -9.329 1.00 86.45 O +ATOM 1511 N CYS A 191 -12.847 0.241 -10.342 1.00 95.31 N +ATOM 1512 CA CYS A 191 -12.124 -1.020 -10.315 1.00 95.16 C +ATOM 1513 C CYS A 191 -13.086 -2.204 -10.244 1.00 95.10 C +ATOM 1514 O CYS A 191 -12.876 -3.216 -10.922 1.00 94.62 O +ATOM 1515 CB CYS A 191 -11.167 -1.050 -9.111 1.00 95.00 C +ATOM 1516 SG CYS A 191 -10.057 0.366 -9.058 1.00 94.46 S +ATOM 1517 N LEU A 192 -14.136 -2.071 -9.454 1.00 94.68 N +ATOM 1518 CA LEU A 192 -15.144 -3.117 -9.257 1.00 94.60 C +ATOM 1519 C LEU A 192 -16.037 -3.295 -10.488 1.00 94.54 C +ATOM 1520 O LEU A 192 -16.363 -4.422 -10.848 1.00 94.14 O +ATOM 1521 CB LEU A 192 -16.002 -2.760 -8.032 1.00 94.53 C +ATOM 1522 CG LEU A 192 -15.233 -2.694 -6.694 1.00 94.09 C +ATOM 1523 CD1 LEU A 192 -16.191 -2.221 -5.590 1.00 93.39 C +ATOM 1524 CD2 LEU A 192 -14.686 -4.062 -6.286 1.00 93.22 C +ATOM 1525 N LYS A 193 -16.440 -2.200 -11.101 1.00 94.28 N +ATOM 1526 CA LYS A 193 -17.457 -2.168 -12.158 1.00 93.96 C +ATOM 1527 C LYS A 193 -16.856 -2.241 -13.557 1.00 94.02 C +ATOM 1528 O LYS A 193 -17.412 -2.885 -14.436 1.00 93.05 O +ATOM 1529 CB LYS A 193 -18.299 -0.904 -11.963 1.00 93.05 C +ATOM 1530 CG LYS A 193 -19.557 -0.871 -12.791 1.00 88.60 C +ATOM 1531 CD LYS A 193 -20.357 0.381 -12.433 1.00 86.31 C +ATOM 1532 CE LYS A 193 -21.687 0.416 -13.115 1.00 79.47 C +ATOM 1533 NZ LYS A 193 -22.549 1.521 -12.599 1.00 73.91 N1+ +ATOM 1534 N GLU A 194 -15.746 -1.593 -13.787 1.00 93.84 N +ATOM 1535 CA GLU A 194 -15.155 -1.403 -15.115 1.00 93.61 C +ATOM 1536 C GLU A 194 -13.784 -2.061 -15.298 1.00 93.89 C +ATOM 1537 O GLU A 194 -13.230 -2.022 -16.398 1.00 92.57 O +ATOM 1538 CB GLU A 194 -15.057 0.081 -15.455 1.00 92.31 C +ATOM 1539 CG GLU A 194 -16.407 0.830 -15.390 1.00 85.47 C +ATOM 1540 CD GLU A 194 -16.275 2.263 -15.848 1.00 79.58 C +ATOM 1541 OE1 GLU A 194 -17.281 2.968 -15.849 1.00 68.18 O +ATOM 1542 OE2 GLU A 194 -15.142 2.686 -16.246 1.00 65.41 O +ATOM 1543 N TYR A 195 -13.240 -2.628 -14.242 1.00 93.47 N +ATOM 1544 CA TYR A 195 -11.900 -3.197 -14.216 1.00 93.31 C +ATOM 1545 C TYR A 195 -10.786 -2.193 -14.599 1.00 93.63 C +ATOM 1546 O TYR A 195 -9.726 -2.573 -15.080 1.00 92.48 O +ATOM 1547 CB TYR A 195 -11.827 -4.488 -15.012 1.00 92.08 C +ATOM 1548 CG TYR A 195 -12.851 -5.532 -14.586 1.00 89.46 C +ATOM 1549 CD1 TYR A 195 -12.515 -6.465 -13.590 1.00 85.83 C +ATOM 1550 CD2 TYR A 195 -14.132 -5.561 -15.172 1.00 83.44 C +ATOM 1551 CE1 TYR A 195 -13.454 -7.429 -13.185 1.00 78.90 C +ATOM 1552 CE2 TYR A 195 -15.077 -6.507 -14.769 1.00 80.04 C +ATOM 1553 CZ TYR A 195 -14.735 -7.445 -13.777 1.00 79.17 C +ATOM 1554 OH TYR A 195 -15.670 -8.390 -13.382 1.00 77.47 O +ATOM 1555 N LYS A 196 -11.066 -0.909 -14.380 1.00 94.10 N +ATOM 1556 CA LYS A 196 -10.119 0.175 -14.648 1.00 93.81 C +ATOM 1557 C LYS A 196 -9.415 0.591 -13.381 1.00 93.97 C +ATOM 1558 O LYS A 196 -10.046 0.808 -12.361 1.00 93.13 O +ATOM 1559 CB LYS A 196 -10.848 1.372 -15.258 1.00 93.07 C +ATOM 1560 CG LYS A 196 -11.369 1.126 -16.694 1.00 90.01 C +ATOM 1561 CD LYS A 196 -12.126 2.371 -17.130 1.00 87.32 C +ATOM 1562 CE LYS A 196 -12.853 2.201 -18.464 1.00 82.81 C +ATOM 1563 NZ LYS A 196 -13.899 3.243 -18.587 1.00 78.15 N1+ +ATOM 1564 N PHE A 197 -8.119 0.761 -13.482 1.00 94.34 N +ATOM 1565 CA PHE A 197 -7.261 1.206 -12.384 1.00 94.46 C +ATOM 1566 C PHE A 197 -6.543 2.482 -12.789 1.00 94.40 C +ATOM 1567 O PHE A 197 -5.657 2.452 -13.643 1.00 93.18 O +ATOM 1568 CB PHE A 197 -6.273 0.102 -12.013 1.00 93.60 C +ATOM 1569 CG PHE A 197 -6.926 -1.112 -11.395 1.00 91.57 C +ATOM 1570 CD1 PHE A 197 -6.949 -1.255 -10.000 1.00 87.66 C +ATOM 1571 CD2 PHE A 197 -7.542 -2.079 -12.200 1.00 89.05 C +ATOM 1572 CE1 PHE A 197 -7.590 -2.362 -9.416 1.00 88.21 C +ATOM 1573 CE2 PHE A 197 -8.208 -3.174 -11.630 1.00 87.66 C +ATOM 1574 CZ PHE A 197 -8.222 -3.311 -10.234 1.00 87.43 C +ATOM 1575 N TYR A 198 -6.947 3.568 -12.178 1.00 94.94 N +ATOM 1576 CA TYR A 198 -6.317 4.868 -12.290 1.00 94.77 C +ATOM 1577 C TYR A 198 -5.319 5.064 -11.149 1.00 94.86 C +ATOM 1578 O TYR A 198 -5.377 4.357 -10.140 1.00 94.28 O +ATOM 1579 CB TYR A 198 -7.389 5.948 -12.224 1.00 94.25 C +ATOM 1580 CG TYR A 198 -8.381 5.891 -13.374 1.00 93.61 C +ATOM 1581 CD1 TYR A 198 -8.217 6.732 -14.494 1.00 92.43 C +ATOM 1582 CD2 TYR A 198 -9.482 5.011 -13.337 1.00 91.34 C +ATOM 1583 CE1 TYR A 198 -9.138 6.691 -15.562 1.00 90.63 C +ATOM 1584 CE2 TYR A 198 -10.397 4.948 -14.400 1.00 91.51 C +ATOM 1585 CZ TYR A 198 -10.223 5.795 -15.502 1.00 91.33 C +ATOM 1586 OH TYR A 198 -11.131 5.752 -16.556 1.00 89.48 O +ATOM 1587 N TYR A 199 -4.482 6.085 -11.230 1.00 95.95 N +ATOM 1588 CA TYR A 199 -3.728 6.561 -10.069 1.00 95.87 C +ATOM 1589 C TYR A 199 -4.651 6.907 -8.892 1.00 95.94 C +ATOM 1590 O TYR A 199 -4.410 6.517 -7.759 1.00 95.55 O +ATOM 1591 CB TYR A 199 -2.897 7.772 -10.466 1.00 95.58 C +ATOM 1592 CG TYR A 199 -1.854 7.495 -11.521 1.00 95.19 C +ATOM 1593 CD1 TYR A 199 -0.750 6.677 -11.216 1.00 94.47 C +ATOM 1594 CD2 TYR A 199 -1.963 8.049 -12.816 1.00 94.19 C +ATOM 1595 CE1 TYR A 199 0.238 6.413 -12.180 1.00 93.61 C +ATOM 1596 CE2 TYR A 199 -0.983 7.797 -13.789 1.00 93.57 C +ATOM 1597 CZ TYR A 199 0.113 6.981 -13.464 1.00 93.60 C +ATOM 1598 OH TYR A 199 1.095 6.738 -14.402 1.00 92.41 O +ATOM 1599 N ALA A 200 -5.785 7.522 -9.193 1.00 95.47 N +ATOM 1600 CA ALA A 200 -6.814 7.806 -8.206 1.00 95.37 C +ATOM 1601 C ALA A 200 -7.448 6.560 -7.567 1.00 95.62 C +ATOM 1602 O ALA A 200 -8.077 6.681 -6.515 1.00 95.29 O +ATOM 1603 CB ALA A 200 -7.867 8.666 -8.902 1.00 94.90 C +ATOM 1604 N SER A 201 -7.313 5.386 -8.157 1.00 96.13 N +ATOM 1605 CA SER A 201 -7.777 4.134 -7.549 1.00 96.07 C +ATOM 1606 C SER A 201 -6.858 3.702 -6.397 1.00 96.17 C +ATOM 1607 O SER A 201 -7.349 3.205 -5.390 1.00 95.96 O +ATOM 1608 CB SER A 201 -7.879 3.008 -8.571 1.00 95.89 C +ATOM 1609 OG SER A 201 -8.596 3.423 -9.740 1.00 95.37 O +ATOM 1610 N ASP A 202 -5.569 3.993 -6.496 1.00 96.43 N +ATOM 1611 CA ASP A 202 -4.662 3.821 -5.363 1.00 96.39 C +ATOM 1612 C ASP A 202 -4.946 4.817 -4.242 1.00 96.44 C +ATOM 1613 O ASP A 202 -4.857 4.460 -3.071 1.00 96.15 O +ATOM 1614 CB ASP A 202 -3.208 3.973 -5.814 1.00 96.30 C +ATOM 1615 CG ASP A 202 -2.610 2.756 -6.512 1.00 96.10 C +ATOM 1616 OD1 ASP A 202 -3.140 1.627 -6.379 1.00 95.25 O +ATOM 1617 OD2 ASP A 202 -1.540 2.938 -7.146 1.00 94.78 O +ATOM 1618 N VAL A 203 -5.363 6.024 -4.582 1.00 96.18 N +ATOM 1619 CA VAL A 203 -5.788 7.019 -3.581 1.00 96.26 C +ATOM 1620 C VAL A 203 -7.019 6.538 -2.815 1.00 96.31 C +ATOM 1621 O VAL A 203 -7.074 6.702 -1.592 1.00 96.16 O +ATOM 1622 CB VAL A 203 -6.063 8.379 -4.236 1.00 96.21 C +ATOM 1623 CG1 VAL A 203 -4.789 8.954 -4.862 1.00 96.01 C +ATOM 1624 CG2 VAL A 203 -6.577 9.404 -3.223 1.00 96.07 C +ATOM 1625 N TRP A 204 -7.953 5.888 -3.478 1.00 96.21 N +ATOM 1626 CA TRP A 204 -9.067 5.234 -2.777 1.00 96.19 C +ATOM 1627 C TRP A 204 -8.546 4.180 -1.794 1.00 96.15 C +ATOM 1628 O TRP A 204 -8.918 4.191 -0.617 1.00 95.87 O +ATOM 1629 CB TRP A 204 -10.020 4.600 -3.785 1.00 96.20 C +ATOM 1630 CG TRP A 204 -11.178 3.886 -3.162 1.00 96.29 C +ATOM 1631 CD1 TRP A 204 -11.127 2.730 -2.455 1.00 95.91 C +ATOM 1632 CD2 TRP A 204 -12.581 4.291 -3.171 1.00 95.99 C +ATOM 1633 NE1 TRP A 204 -12.403 2.404 -2.006 1.00 95.68 N +ATOM 1634 CE2 TRP A 204 -13.309 3.333 -2.413 1.00 95.87 C +ATOM 1635 CE3 TRP A 204 -13.293 5.374 -3.739 1.00 95.91 C +ATOM 1636 CZ2 TRP A 204 -14.723 3.447 -2.217 1.00 95.56 C +ATOM 1637 CZ3 TRP A 204 -14.690 5.477 -3.546 1.00 95.61 C +ATOM 1638 CH2 TRP A 204 -15.399 4.522 -2.791 1.00 95.49 C +ATOM 1639 N SER A 205 -7.666 3.309 -2.240 1.00 96.04 N +ATOM 1640 CA SER A 205 -7.070 2.274 -1.394 1.00 95.93 C +ATOM 1641 C SER A 205 -6.292 2.870 -0.219 1.00 96.03 C +ATOM 1642 O SER A 205 -6.338 2.330 0.878 1.00 95.80 O +ATOM 1643 CB SER A 205 -6.133 1.389 -2.213 1.00 95.72 C +ATOM 1644 OG SER A 205 -6.816 0.843 -3.330 1.00 94.70 O +ATOM 1645 N PHE A 206 -5.642 4.005 -0.425 1.00 96.60 N +ATOM 1646 CA PHE A 206 -5.013 4.757 0.652 1.00 96.62 C +ATOM 1647 C PHE A 206 -6.027 5.238 1.690 1.00 96.64 C +ATOM 1648 O PHE A 206 -5.767 5.082 2.880 1.00 96.49 O +ATOM 1649 CB PHE A 206 -4.220 5.931 0.089 1.00 96.63 C +ATOM 1650 CG PHE A 206 -3.719 6.855 1.175 1.00 96.67 C +ATOM 1651 CD1 PHE A 206 -2.652 6.463 1.991 1.00 96.38 C +ATOM 1652 CD2 PHE A 206 -4.389 8.056 1.445 1.00 96.41 C +ATOM 1653 CE1 PHE A 206 -2.248 7.258 3.080 1.00 96.16 C +ATOM 1654 CE2 PHE A 206 -3.997 8.863 2.527 1.00 96.14 C +ATOM 1655 CZ PHE A 206 -2.927 8.458 3.349 1.00 96.11 C +ATOM 1656 N GLY A 207 -7.166 5.735 1.288 1.00 96.42 N +ATOM 1657 CA GLY A 207 -8.235 6.094 2.223 1.00 96.34 C +ATOM 1658 C GLY A 207 -8.666 4.909 3.084 1.00 96.49 C +ATOM 1659 O GLY A 207 -8.818 5.038 4.298 1.00 96.27 O +ATOM 1660 N VAL A 208 -8.766 3.720 2.486 1.00 96.40 N +ATOM 1661 CA VAL A 208 -9.056 2.478 3.221 1.00 96.38 C +ATOM 1662 C VAL A 208 -7.885 2.079 4.118 1.00 96.35 C +ATOM 1663 O VAL A 208 -8.093 1.667 5.252 1.00 96.18 O +ATOM 1664 CB VAL A 208 -9.424 1.335 2.256 1.00 96.38 C +ATOM 1665 CG1 VAL A 208 -10.610 1.713 1.353 1.00 96.22 C +ATOM 1666 CG2 VAL A 208 -9.846 0.081 3.042 1.00 96.33 C +ATOM 1667 N THR A 209 -6.659 2.263 3.662 1.00 96.39 N +ATOM 1668 CA THR A 209 -5.465 2.023 4.483 1.00 96.37 C +ATOM 1669 C THR A 209 -5.407 2.979 5.670 1.00 96.40 C +ATOM 1670 O THR A 209 -5.144 2.539 6.789 1.00 96.22 O +ATOM 1671 CB THR A 209 -4.191 2.148 3.647 1.00 96.33 C +ATOM 1672 OG1 THR A 209 -4.265 1.300 2.532 1.00 95.85 O +ATOM 1673 CG2 THR A 209 -2.935 1.768 4.428 1.00 95.71 C +ATOM 1674 N LEU A 210 -5.710 4.236 5.469 1.00 96.74 N +ATOM 1675 CA LEU A 210 -5.791 5.234 6.541 1.00 96.65 C +ATOM 1676 C LEU A 210 -6.856 4.856 7.576 1.00 96.68 C +ATOM 1677 O LEU A 210 -6.590 4.934 8.773 1.00 96.56 O +ATOM 1678 CB LEU A 210 -6.028 6.610 5.905 1.00 96.54 C +ATOM 1679 CG LEU A 210 -6.057 7.776 6.910 1.00 95.94 C +ATOM 1680 CD1 LEU A 210 -6.276 9.086 6.148 1.00 95.41 C +ATOM 1681 CD2 LEU A 210 -4.749 7.910 7.693 1.00 94.94 C +ATOM 1682 N TYR A 211 -8.005 4.353 7.120 1.00 96.05 N +ATOM 1683 CA TYR A 211 -9.014 3.783 8.016 1.00 96.05 C +ATOM 1684 C TYR A 211 -8.451 2.616 8.833 1.00 95.99 C +ATOM 1685 O TYR A 211 -8.630 2.581 10.051 1.00 95.75 O +ATOM 1686 CB TYR A 211 -10.241 3.370 7.198 1.00 96.05 C +ATOM 1687 CG TYR A 211 -11.232 2.533 7.964 1.00 96.08 C +ATOM 1688 CD1 TYR A 211 -12.280 3.138 8.677 1.00 95.73 C +ATOM 1689 CD2 TYR A 211 -11.081 1.131 8.008 1.00 95.70 C +ATOM 1690 CE1 TYR A 211 -13.173 2.361 9.441 1.00 95.35 C +ATOM 1691 CE2 TYR A 211 -11.951 0.350 8.763 1.00 95.30 C +ATOM 1692 CZ TYR A 211 -13.001 0.967 9.485 1.00 95.28 C +ATOM 1693 OH TYR A 211 -13.857 0.199 10.256 1.00 94.77 O +ATOM 1694 N GLU A 212 -7.722 1.705 8.209 1.00 96.19 N +ATOM 1695 CA GLU A 212 -7.072 0.607 8.928 1.00 96.17 C +ATOM 1696 C GLU A 212 -6.107 1.106 10.011 1.00 96.17 C +ATOM 1697 O GLU A 212 -6.139 0.615 11.138 1.00 95.91 O +ATOM 1698 CB GLU A 212 -6.308 -0.309 7.967 1.00 95.94 C +ATOM 1699 CG GLU A 212 -7.196 -1.116 7.008 1.00 95.10 C +ATOM 1700 CD GLU A 212 -6.346 -2.014 6.121 1.00 94.76 C +ATOM 1701 OE1 GLU A 212 -6.170 -3.191 6.457 1.00 87.57 O +ATOM 1702 OE2 GLU A 212 -5.825 -1.540 5.107 1.00 87.03 O +ATOM 1703 N LEU A 213 -5.311 2.119 9.707 1.00 96.43 N +ATOM 1704 CA LEU A 213 -4.388 2.713 10.682 1.00 96.25 C +ATOM 1705 C LEU A 213 -5.154 3.279 11.873 1.00 96.31 C +ATOM 1706 O LEU A 213 -4.827 2.980 13.028 1.00 96.02 O +ATOM 1707 CB LEU A 213 -3.525 3.814 10.048 1.00 96.01 C +ATOM 1708 CG LEU A 213 -2.640 3.379 8.870 1.00 95.06 C +ATOM 1709 CD1 LEU A 213 -1.715 4.522 8.458 1.00 94.33 C +ATOM 1710 CD2 LEU A 213 -1.787 2.166 9.181 1.00 93.61 C +ATOM 1711 N LEU A 214 -6.193 4.047 11.622 1.00 96.15 N +ATOM 1712 CA LEU A 214 -6.978 4.702 12.669 1.00 96.04 C +ATOM 1713 C LEU A 214 -7.852 3.740 13.486 1.00 96.07 C +ATOM 1714 O LEU A 214 -8.284 4.098 14.579 1.00 95.63 O +ATOM 1715 CB LEU A 214 -7.799 5.835 12.053 1.00 95.64 C +ATOM 1716 CG LEU A 214 -7.071 7.201 11.948 1.00 94.20 C +ATOM 1717 CD1 LEU A 214 -5.785 7.154 11.140 1.00 93.03 C +ATOM 1718 CD2 LEU A 214 -6.778 7.795 13.317 1.00 91.61 C +ATOM 1719 N THR A 215 -8.078 2.537 12.992 1.00 95.50 N +ATOM 1720 CA THR A 215 -8.671 1.427 13.741 1.00 95.37 C +ATOM 1721 C THR A 215 -7.638 0.526 14.408 1.00 95.34 C +ATOM 1722 O THR A 215 -7.999 -0.490 14.988 1.00 95.06 O +ATOM 1723 CB THR A 215 -9.618 0.588 12.874 1.00 95.22 C +ATOM 1724 OG1 THR A 215 -8.944 0.069 11.759 1.00 94.94 O +ATOM 1725 CG2 THR A 215 -10.816 1.395 12.389 1.00 94.89 C +ATOM 1726 N HIS A 216 -6.370 0.878 14.318 1.00 95.78 N +ATOM 1727 CA HIS A 216 -5.242 0.040 14.756 1.00 95.59 C +ATOM 1728 C HIS A 216 -5.268 -1.375 14.144 1.00 95.63 C +ATOM 1729 O HIS A 216 -4.823 -2.330 14.784 1.00 95.14 O +ATOM 1730 CB HIS A 216 -5.143 0.033 16.279 1.00 95.07 C +ATOM 1731 CG HIS A 216 -4.798 1.364 16.867 1.00 93.75 C +ATOM 1732 ND1 HIS A 216 -3.523 1.764 17.221 1.00 89.46 N1+ +ATOM 1733 CD2 HIS A 216 -5.643 2.393 17.169 1.00 86.34 C +ATOM 1734 CE1 HIS A 216 -3.597 3.004 17.711 1.00 86.48 C +ATOM 1735 NE2 HIS A 216 -4.879 3.417 17.702 1.00 88.59 N +ATOM 1736 N CYS A 217 -5.776 -1.520 12.952 1.00 95.31 N +ATOM 1737 CA CYS A 217 -5.996 -2.811 12.283 1.00 95.14 C +ATOM 1738 C CYS A 217 -6.792 -3.816 13.137 1.00 94.98 C +ATOM 1739 O CYS A 217 -6.567 -5.029 13.021 1.00 94.40 O +ATOM 1740 CB CYS A 217 -4.683 -3.371 11.752 1.00 94.80 C +ATOM 1741 SG CYS A 217 -3.914 -2.290 10.532 1.00 94.16 S +ATOM 1742 N ASP A 218 -7.701 -3.345 13.962 1.00 94.89 N +ATOM 1743 CA ASP A 218 -8.611 -4.211 14.690 1.00 94.78 C +ATOM 1744 C ASP A 218 -9.455 -5.033 13.706 1.00 94.91 C +ATOM 1745 O ASP A 218 -10.187 -4.501 12.876 1.00 94.40 O +ATOM 1746 CB ASP A 218 -9.495 -3.370 15.616 1.00 94.23 C +ATOM 1747 CG ASP A 218 -10.526 -4.185 16.419 1.00 92.67 C +ATOM 1748 OD1 ASP A 218 -10.649 -5.407 16.196 1.00 89.25 O +ATOM 1749 OD2 ASP A 218 -11.268 -3.550 17.209 1.00 87.34 O +ATOM 1750 N SER A 219 -9.357 -6.352 13.814 1.00 93.80 N +ATOM 1751 CA SER A 219 -10.028 -7.287 12.902 1.00 93.78 C +ATOM 1752 C SER A 219 -11.560 -7.152 12.953 1.00 94.02 C +ATOM 1753 O SER A 219 -12.202 -7.344 11.916 1.00 92.91 O +ATOM 1754 CB SER A 219 -9.610 -8.711 13.242 1.00 92.65 C +ATOM 1755 OG SER A 219 -9.959 -9.061 14.564 1.00 88.74 O +ATOM 1756 N SER A 220 -12.106 -6.769 14.087 1.00 94.50 N +ATOM 1757 CA SER A 220 -13.555 -6.518 14.218 1.00 94.32 C +ATOM 1758 C SER A 220 -14.026 -5.271 13.473 1.00 94.47 C +ATOM 1759 O SER A 220 -15.193 -5.136 13.141 1.00 93.80 O +ATOM 1760 CB SER A 220 -13.938 -6.416 15.700 1.00 93.56 C +ATOM 1761 OG SER A 220 -13.502 -5.200 16.300 1.00 90.67 O +ATOM 1762 N GLN A 221 -13.103 -4.373 13.165 1.00 94.17 N +ATOM 1763 CA GLN A 221 -13.347 -3.125 12.445 1.00 94.30 C +ATOM 1764 C GLN A 221 -12.744 -3.105 11.053 1.00 94.65 C +ATOM 1765 O GLN A 221 -12.819 -2.093 10.383 1.00 93.85 O +ATOM 1766 CB GLN A 221 -12.854 -1.942 13.290 1.00 93.46 C +ATOM 1767 CG GLN A 221 -13.527 -1.846 14.639 1.00 90.13 C +ATOM 1768 CD GLN A 221 -13.119 -0.578 15.396 1.00 88.03 C +ATOM 1769 OE1 GLN A 221 -13.314 0.525 14.908 1.00 80.91 O +ATOM 1770 NE2 GLN A 221 -12.512 -0.705 16.539 1.00 77.78 N +ATOM 1771 N SER A 222 -12.164 -4.202 10.611 1.00 94.76 N +ATOM 1772 CA SER A 222 -11.504 -4.276 9.303 1.00 94.79 C +ATOM 1773 C SER A 222 -12.460 -3.939 8.160 1.00 94.95 C +ATOM 1774 O SER A 222 -13.660 -4.173 8.278 1.00 94.58 O +ATOM 1775 CB SER A 222 -10.882 -5.661 9.111 1.00 94.28 C +ATOM 1776 OG SER A 222 -11.888 -6.641 8.888 1.00 92.70 O +ATOM 1777 N PRO A 223 -11.965 -3.451 7.024 1.00 95.01 N +ATOM 1778 CA PRO A 223 -12.803 -3.157 5.861 1.00 95.11 C +ATOM 1779 C PRO A 223 -13.688 -4.336 5.427 1.00 95.20 C +ATOM 1780 O PRO A 223 -14.885 -4.143 5.275 1.00 95.03 O +ATOM 1781 CB PRO A 223 -11.842 -2.682 4.765 1.00 94.97 C +ATOM 1782 CG PRO A 223 -10.676 -2.113 5.559 1.00 94.55 C +ATOM 1783 CD PRO A 223 -10.601 -3.009 6.788 1.00 95.30 C +ATOM 1784 N PRO A 224 -13.176 -5.577 5.313 1.00 94.32 N +ATOM 1785 CA PRO A 224 -14.034 -6.729 5.006 1.00 94.17 C +ATOM 1786 C PRO A 224 -15.158 -6.932 6.023 1.00 94.22 C +ATOM 1787 O PRO A 224 -16.309 -7.117 5.636 1.00 93.88 O +ATOM 1788 CB PRO A 224 -13.103 -7.947 4.975 1.00 93.78 C +ATOM 1789 CG PRO A 224 -11.748 -7.370 4.633 1.00 93.09 C +ATOM 1790 CD PRO A 224 -11.777 -6.016 5.334 1.00 94.07 C +ATOM 1791 N THR A 225 -14.846 -6.841 7.317 1.00 94.76 N +ATOM 1792 CA THR A 225 -15.838 -7.018 8.378 1.00 94.50 C +ATOM 1793 C THR A 225 -16.929 -5.969 8.290 1.00 94.73 C +ATOM 1794 O THR A 225 -18.111 -6.329 8.230 1.00 94.30 O +ATOM 1795 CB THR A 225 -15.160 -6.983 9.754 1.00 93.93 C +ATOM 1796 OG1 THR A 225 -14.209 -8.011 9.851 1.00 90.92 O +ATOM 1797 CG2 THR A 225 -16.150 -7.188 10.907 1.00 89.78 C +ATOM 1798 N LYS A 226 -16.562 -4.706 8.184 1.00 94.16 N +ATOM 1799 CA LYS A 226 -17.533 -3.606 8.135 1.00 94.07 C +ATOM 1800 C LYS A 226 -18.375 -3.605 6.864 1.00 94.23 C +ATOM 1801 O LYS A 226 -19.583 -3.389 6.936 1.00 93.65 O +ATOM 1802 CB LYS A 226 -16.793 -2.267 8.289 1.00 93.49 C +ATOM 1803 CG LYS A 226 -16.280 -2.042 9.727 1.00 90.98 C +ATOM 1804 CD LYS A 226 -17.442 -1.950 10.710 1.00 88.67 C +ATOM 1805 CE LYS A 226 -16.991 -1.918 12.158 1.00 85.32 C +ATOM 1806 NZ LYS A 226 -18.043 -2.493 13.050 1.00 80.96 N1+ +ATOM 1807 N PHE A 227 -17.783 -3.889 5.721 1.00 94.02 N +ATOM 1808 CA PHE A 227 -18.560 -3.988 4.489 1.00 94.10 C +ATOM 1809 C PHE A 227 -19.473 -5.202 4.484 1.00 94.06 C +ATOM 1810 O PHE A 227 -20.638 -5.064 4.078 1.00 93.91 O +ATOM 1811 CB PHE A 227 -17.622 -3.988 3.286 1.00 94.20 C +ATOM 1812 CG PHE A 227 -17.057 -2.629 2.904 1.00 94.54 C +ATOM 1813 CD1 PHE A 227 -17.931 -1.546 2.659 1.00 94.09 C +ATOM 1814 CD2 PHE A 227 -15.688 -2.446 2.735 1.00 94.16 C +ATOM 1815 CE1 PHE A 227 -17.414 -0.293 2.262 1.00 93.71 C +ATOM 1816 CE2 PHE A 227 -15.167 -1.202 2.329 1.00 93.72 C +ATOM 1817 CZ PHE A 227 -16.041 -0.122 2.096 1.00 93.76 C +ATOM 1818 N LEU A 228 -19.039 -6.340 4.982 1.00 93.42 N +ATOM 1819 CA LEU A 228 -19.911 -7.514 5.070 1.00 93.44 C +ATOM 1820 C LEU A 228 -21.072 -7.320 6.061 1.00 93.35 C +ATOM 1821 O LEU A 228 -22.178 -7.767 5.774 1.00 92.90 O +ATOM 1822 CB LEU A 228 -19.072 -8.749 5.429 1.00 93.27 C +ATOM 1823 CG LEU A 228 -18.201 -9.273 4.294 1.00 92.37 C +ATOM 1824 CD1 LEU A 228 -17.276 -10.383 4.807 1.00 91.33 C +ATOM 1825 CD2 LEU A 228 -19.010 -9.834 3.115 1.00 90.65 C +ATOM 1826 N GLU A 229 -20.890 -6.584 7.140 1.00 93.09 N +ATOM 1827 CA GLU A 229 -21.990 -6.158 8.007 1.00 92.82 C +ATOM 1828 C GLU A 229 -23.023 -5.317 7.262 1.00 92.86 C +ATOM 1829 O GLU A 229 -24.217 -5.485 7.487 1.00 91.91 O +ATOM 1830 CB GLU A 229 -21.435 -5.343 9.204 1.00 92.04 C +ATOM 1831 CG GLU A 229 -20.741 -6.200 10.296 1.00 88.52 C +ATOM 1832 CD GLU A 229 -19.947 -5.370 11.343 1.00 87.30 C +ATOM 1833 OE1 GLU A 229 -19.182 -5.959 12.109 1.00 80.02 O +ATOM 1834 OE2 GLU A 229 -20.087 -4.121 11.393 1.00 76.70 O +ATOM 1835 N LEU A 230 -22.592 -4.471 6.349 1.00 90.68 N +ATOM 1836 CA LEU A 230 -23.460 -3.586 5.584 1.00 90.50 C +ATOM 1837 C LEU A 230 -24.176 -4.284 4.423 1.00 90.65 C +ATOM 1838 O LEU A 230 -25.320 -3.933 4.105 1.00 89.53 O +ATOM 1839 CB LEU A 230 -22.641 -2.394 5.061 1.00 89.57 C +ATOM 1840 CG LEU A 230 -22.173 -1.410 6.148 1.00 86.74 C +ATOM 1841 CD1 LEU A 230 -21.189 -0.409 5.515 1.00 85.03 C +ATOM 1842 CD2 LEU A 230 -23.306 -0.632 6.768 1.00 84.60 C +ATOM 1843 N ILE A 231 -23.547 -5.229 3.767 1.00 90.40 N +ATOM 1844 CA ILE A 231 -24.118 -5.913 2.583 1.00 90.02 C +ATOM 1845 C ILE A 231 -24.758 -7.262 2.917 1.00 89.65 C +ATOM 1846 O ILE A 231 -25.423 -7.836 2.061 1.00 87.68 O +ATOM 1847 CB ILE A 231 -23.065 -6.046 1.453 1.00 89.27 C +ATOM 1848 CG1 ILE A 231 -21.950 -7.046 1.782 1.00 88.26 C +ATOM 1849 CG2 ILE A 231 -22.522 -4.661 1.058 1.00 87.74 C +ATOM 1850 CD1 ILE A 231 -20.880 -7.202 0.669 1.00 83.36 C +ATOM 1851 N GLY A 232 -24.517 -7.773 4.094 1.00 83.92 N +ATOM 1852 CA GLY A 232 -24.884 -9.127 4.499 1.00 83.35 C +ATOM 1853 C GLY A 232 -23.911 -10.179 3.963 1.00 83.96 C +ATOM 1854 O GLY A 232 -23.092 -9.925 3.087 1.00 81.44 O +ATOM 1855 N ILE A 233 -24.042 -11.399 4.455 1.00 77.49 N +ATOM 1856 CA ILE A 233 -23.194 -12.515 4.032 1.00 76.76 C +ATOM 1857 C ILE A 233 -23.421 -12.783 2.535 1.00 77.47 C +ATOM 1858 O ILE A 233 -24.514 -13.086 2.089 1.00 73.86 O +ATOM 1859 CB ILE A 233 -23.472 -13.778 4.874 1.00 72.83 C +ATOM 1860 CG1 ILE A 233 -23.195 -13.496 6.358 1.00 70.31 C +ATOM 1861 CG2 ILE A 233 -22.587 -14.937 4.373 1.00 68.96 C +ATOM 1862 CD1 ILE A 233 -23.585 -14.669 7.291 1.00 64.72 C +ATOM 1863 N ALA A 234 -22.372 -12.661 1.770 1.00 72.14 N +ATOM 1864 CA ALA A 234 -22.340 -12.921 0.355 1.00 70.43 C +ATOM 1865 C ALA A 234 -21.028 -13.585 -0.033 1.00 71.83 C +ATOM 1866 O ALA A 234 -20.019 -13.490 0.685 1.00 67.93 O +ATOM 1867 CB ALA A 234 -22.566 -11.613 -0.391 1.00 64.83 C +ATOM 1868 N GLN A 235 -20.989 -14.249 -1.162 1.00 69.36 N +ATOM 1869 CA GLN A 235 -19.821 -14.956 -1.667 1.00 69.37 C +ATOM 1870 C GLN A 235 -19.560 -14.569 -3.112 1.00 69.98 C +ATOM 1871 O GLN A 235 -20.492 -14.314 -3.878 1.00 65.37 O +ATOM 1872 CB GLN A 235 -20.013 -16.475 -1.512 1.00 64.14 C +ATOM 1873 CG GLN A 235 -20.034 -16.938 -0.052 1.00 59.26 C +ATOM 1874 CD GLN A 235 -18.642 -17.049 0.582 1.00 54.52 C +ATOM 1875 OE1 GLN A 235 -17.665 -17.242 -0.099 1.00 45.97 O +ATOM 1876 NE2 GLN A 235 -18.539 -16.930 1.882 1.00 46.89 N +ATOM 1877 N GLY A 236 -18.300 -14.579 -3.507 1.00 74.06 N +ATOM 1878 CA GLY A 236 -17.857 -14.387 -4.878 1.00 74.53 C +ATOM 1879 C GLY A 236 -18.417 -13.122 -5.554 1.00 77.08 C +ATOM 1880 O GLY A 236 -18.361 -12.034 -4.965 1.00 73.98 O +ATOM 1881 N GLN A 237 -18.969 -13.266 -6.725 1.00 82.78 N +ATOM 1882 CA GLN A 237 -19.506 -12.148 -7.514 1.00 83.44 C +ATOM 1883 C GLN A 237 -20.617 -11.385 -6.801 1.00 84.75 C +ATOM 1884 O GLN A 237 -20.757 -10.188 -6.990 1.00 82.23 O +ATOM 1885 CB GLN A 237 -19.995 -12.641 -8.861 1.00 79.43 C +ATOM 1886 CG GLN A 237 -18.872 -13.118 -9.787 1.00 72.21 C +ATOM 1887 CD GLN A 237 -19.382 -13.493 -11.184 1.00 68.06 C +ATOM 1888 OE1 GLN A 237 -20.574 -13.653 -11.405 1.00 58.86 O +ATOM 1889 NE2 GLN A 237 -18.507 -13.643 -12.120 1.00 57.14 N +ATOM 1890 N MET A 238 -21.392 -12.044 -5.968 1.00 88.22 N +ATOM 1891 CA MET A 238 -22.474 -11.402 -5.230 1.00 89.13 C +ATOM 1892 C MET A 238 -21.947 -10.408 -4.226 1.00 89.99 C +ATOM 1893 O MET A 238 -22.560 -9.360 -4.015 1.00 88.47 O +ATOM 1894 CB MET A 238 -23.355 -12.470 -4.570 1.00 87.46 C +ATOM 1895 CG MET A 238 -24.695 -11.899 -4.137 1.00 81.31 C +ATOM 1896 SD MET A 238 -25.716 -11.365 -5.525 1.00 78.01 S +ATOM 1897 CE MET A 238 -27.217 -10.883 -4.637 1.00 69.17 C +ATOM 1898 N THR A 239 -20.790 -10.649 -3.640 1.00 91.24 N +ATOM 1899 CA THR A 239 -20.105 -9.690 -2.765 1.00 91.68 C +ATOM 1900 C THR A 239 -19.720 -8.449 -3.537 1.00 92.09 C +ATOM 1901 O THR A 239 -20.025 -7.342 -3.095 1.00 91.51 O +ATOM 1902 CB THR A 239 -18.871 -10.315 -2.110 1.00 91.18 C +ATOM 1903 OG1 THR A 239 -19.264 -11.459 -1.389 1.00 90.07 O +ATOM 1904 CG2 THR A 239 -18.170 -9.377 -1.139 1.00 89.79 C +ATOM 1905 N VAL A 240 -19.129 -8.612 -4.697 1.00 93.13 N +ATOM 1906 CA VAL A 240 -18.715 -7.497 -5.550 1.00 93.15 C +ATOM 1907 C VAL A 240 -19.902 -6.667 -6.008 1.00 93.37 C +ATOM 1908 O VAL A 240 -19.862 -5.439 -5.934 1.00 92.98 O +ATOM 1909 CB VAL A 240 -17.908 -7.997 -6.760 1.00 92.60 C +ATOM 1910 CG1 VAL A 240 -16.640 -8.728 -6.308 1.00 90.94 C +ATOM 1911 CG2 VAL A 240 -17.474 -6.845 -7.670 1.00 90.50 C +ATOM 1912 N LEU A 241 -20.991 -7.319 -6.419 1.00 93.03 N +ATOM 1913 CA LEU A 241 -22.222 -6.650 -6.836 1.00 93.04 C +ATOM 1914 C LEU A 241 -22.793 -5.787 -5.718 1.00 93.45 C +ATOM 1915 O LEU A 241 -22.977 -4.588 -5.876 1.00 92.72 O +ATOM 1916 CB LEU A 241 -23.228 -7.702 -7.311 1.00 92.00 C +ATOM 1917 CG LEU A 241 -24.536 -7.103 -7.889 1.00 85.77 C +ATOM 1918 CD1 LEU A 241 -25.566 -8.203 -8.065 1.00 82.26 C +ATOM 1919 CD2 LEU A 241 -24.283 -6.438 -9.224 1.00 79.20 C +ATOM 1920 N ARG A 242 -22.987 -6.350 -4.546 1.00 92.43 N +ATOM 1921 CA ARG A 242 -23.550 -5.655 -3.387 1.00 92.37 C +ATOM 1922 C ARG A 242 -22.628 -4.552 -2.883 1.00 92.99 C +ATOM 1923 O ARG A 242 -23.113 -3.497 -2.482 1.00 92.70 O +ATOM 1924 CB ARG A 242 -23.801 -6.630 -2.257 1.00 91.68 C +ATOM 1925 CG ARG A 242 -25.008 -7.534 -2.550 1.00 87.57 C +ATOM 1926 CD ARG A 242 -25.197 -8.443 -1.347 1.00 85.37 C +ATOM 1927 NE ARG A 242 -26.305 -9.399 -1.532 1.00 79.82 N +ATOM 1928 CZ ARG A 242 -26.788 -10.182 -0.602 1.00 75.07 C +ATOM 1929 NH1 ARG A 242 -26.308 -10.165 0.618 1.00 71.22 N +ATOM 1930 NH2 ARG A 242 -27.757 -11.001 -0.879 1.00 70.97 N1+ +ATOM 1931 N LEU A 243 -21.337 -4.771 -2.897 1.00 94.39 N +ATOM 1932 CA LEU A 243 -20.357 -3.756 -2.546 1.00 94.35 C +ATOM 1933 C LEU A 243 -20.428 -2.576 -3.517 1.00 94.31 C +ATOM 1934 O LEU A 243 -20.483 -1.425 -3.072 1.00 94.23 O +ATOM 1935 CB LEU A 243 -18.965 -4.385 -2.503 1.00 94.40 C +ATOM 1936 CG LEU A 243 -17.812 -3.408 -2.170 1.00 94.07 C +ATOM 1937 CD1 LEU A 243 -16.491 -4.176 -2.179 1.00 93.56 C +ATOM 1938 CD2 LEU A 243 -17.995 -2.765 -0.802 1.00 93.32 C +ATOM 1939 N THR A 244 -20.513 -2.839 -4.807 1.00 94.29 N +ATOM 1940 CA THR A 244 -20.654 -1.800 -5.840 1.00 94.26 C +ATOM 1941 C THR A 244 -21.922 -0.986 -5.616 1.00 94.21 C +ATOM 1942 O THR A 244 -21.853 0.236 -5.545 1.00 93.71 O +ATOM 1943 CB THR A 244 -20.634 -2.406 -7.236 1.00 93.95 C +ATOM 1944 OG1 THR A 244 -19.465 -3.152 -7.425 1.00 92.86 O +ATOM 1945 CG2 THR A 244 -20.682 -1.340 -8.319 1.00 92.25 C +ATOM 1946 N GLU A 245 -23.035 -1.630 -5.406 1.00 94.32 N +ATOM 1947 CA GLU A 245 -24.316 -0.972 -5.126 1.00 93.96 C +ATOM 1948 C GLU A 245 -24.296 -0.118 -3.846 1.00 93.94 C +ATOM 1949 O GLU A 245 -24.855 0.965 -3.782 1.00 93.09 O +ATOM 1950 CB GLU A 245 -25.415 -2.029 -4.955 1.00 93.15 C +ATOM 1951 CG GLU A 245 -25.826 -2.711 -6.267 1.00 87.99 C +ATOM 1952 CD GLU A 245 -26.771 -3.898 -6.048 1.00 85.48 C +ATOM 1953 OE1 GLU A 245 -27.083 -4.578 -7.058 1.00 76.86 O +ATOM 1954 OE2 GLU A 245 -27.170 -4.139 -4.891 1.00 75.19 O +ATOM 1955 N LEU A 246 -23.593 -0.606 -2.831 1.00 94.60 N +ATOM 1956 CA LEU A 246 -23.432 0.116 -1.567 1.00 94.51 C +ATOM 1957 C LEU A 246 -22.604 1.397 -1.767 1.00 94.59 C +ATOM 1958 O LEU A 246 -22.992 2.460 -1.301 1.00 93.98 O +ATOM 1959 CB LEU A 246 -22.796 -0.846 -0.548 1.00 93.85 C +ATOM 1960 CG LEU A 246 -22.556 -0.245 0.848 1.00 91.34 C +ATOM 1961 CD1 LEU A 246 -21.155 0.281 1.021 1.00 89.23 C +ATOM 1962 CD2 LEU A 246 -22.795 -1.292 1.913 1.00 87.67 C +ATOM 1963 N LEU A 247 -21.499 1.292 -2.497 1.00 94.64 N +ATOM 1964 CA LEU A 247 -20.661 2.441 -2.792 1.00 94.62 C +ATOM 1965 C LEU A 247 -21.353 3.446 -3.706 1.00 94.37 C +ATOM 1966 O LEU A 247 -21.233 4.662 -3.481 1.00 94.02 O +ATOM 1967 CB LEU A 247 -19.326 1.955 -3.406 1.00 94.82 C +ATOM 1968 CG LEU A 247 -18.437 1.141 -2.460 1.00 94.97 C +ATOM 1969 CD1 LEU A 247 -17.182 0.688 -3.223 1.00 94.56 C +ATOM 1970 CD2 LEU A 247 -17.988 1.916 -1.219 1.00 94.49 C +ATOM 1971 N GLU A 248 -22.145 3.003 -4.685 1.00 94.36 N +ATOM 1972 CA GLU A 248 -22.954 3.871 -5.551 1.00 94.06 C +ATOM 1973 C GLU A 248 -24.066 4.625 -4.805 1.00 93.81 C +ATOM 1974 O GLU A 248 -24.355 5.765 -5.151 1.00 92.48 O +ATOM 1975 CB GLU A 248 -23.558 3.041 -6.700 1.00 93.14 C +ATOM 1976 CG GLU A 248 -22.501 2.679 -7.750 1.00 88.35 C +ATOM 1977 CD GLU A 248 -23.049 1.935 -8.982 1.00 85.55 C +ATOM 1978 OE1 GLU A 248 -22.290 1.887 -9.990 1.00 74.10 O +ATOM 1979 OE2 GLU A 248 -24.185 1.413 -8.955 1.00 72.14 O +ATOM 1980 N ARG A 249 -24.586 4.080 -3.746 1.00 94.75 N +ATOM 1981 CA ARG A 249 -25.508 4.799 -2.828 1.00 94.26 C +ATOM 1982 C ARG A 249 -24.769 5.824 -1.942 1.00 94.16 C +ATOM 1983 O ARG A 249 -25.457 6.500 -1.165 1.00 93.22 O +ATOM 1984 CB ARG A 249 -26.287 3.794 -1.962 1.00 93.46 C +ATOM 1985 CG ARG A 249 -27.295 2.996 -2.775 1.00 89.73 C +ATOM 1986 CD ARG A 249 -28.212 2.177 -1.865 1.00 87.16 C +ATOM 1987 NE ARG A 249 -27.507 1.297 -0.927 1.00 83.12 N +ATOM 1988 CZ ARG A 249 -27.180 0.017 -1.101 1.00 80.26 C +ATOM 1989 NH1 ARG A 249 -27.443 -0.618 -2.216 1.00 76.14 N +ATOM 1990 NH2 ARG A 249 -26.602 -0.637 -0.147 1.00 76.60 N1+ +ATOM 1991 N GLY A 250 -23.473 5.927 -2.013 1.00 94.40 N +ATOM 1992 CA GLY A 250 -22.692 6.862 -1.210 1.00 94.30 C +ATOM 1993 C GLY A 250 -22.331 6.351 0.189 1.00 94.58 C +ATOM 1994 O GLY A 250 -21.749 7.124 0.949 1.00 94.02 O +ATOM 1995 N GLU A 251 -22.611 5.105 0.515 1.00 94.70 N +ATOM 1996 CA GLU A 251 -22.201 4.528 1.779 1.00 94.61 C +ATOM 1997 C GLU A 251 -20.672 4.306 1.810 1.00 94.90 C +ATOM 1998 O GLU A 251 -20.036 4.000 0.809 1.00 94.40 O +ATOM 1999 CB GLU A 251 -22.957 3.222 2.057 1.00 93.92 C +ATOM 2000 CG GLU A 251 -24.452 3.462 2.281 1.00 90.81 C +ATOM 2001 CD GLU A 251 -25.184 2.154 2.679 1.00 88.67 C +ATOM 2002 OE1 GLU A 251 -26.146 1.766 1.973 1.00 78.84 O +ATOM 2003 OE2 GLU A 251 -24.776 1.521 3.654 1.00 76.21 O +ATOM 2004 N ARG A 252 -20.099 4.504 2.983 1.00 94.04 N +ATOM 2005 CA ARG A 252 -18.644 4.398 3.199 1.00 94.16 C +ATOM 2006 C ARG A 252 -18.364 3.725 4.542 1.00 94.10 C +ATOM 2007 O ARG A 252 -19.244 3.572 5.379 1.00 93.68 O +ATOM 2008 CB ARG A 252 -18.029 5.811 3.178 1.00 94.17 C +ATOM 2009 CG ARG A 252 -18.160 6.538 1.840 1.00 94.23 C +ATOM 2010 CD ARG A 252 -17.434 5.827 0.710 1.00 94.10 C +ATOM 2011 NE ARG A 252 -17.482 6.573 -0.547 1.00 93.83 N +ATOM 2012 CZ ARG A 252 -18.355 6.429 -1.536 1.00 93.69 C +ATOM 2013 NH1 ARG A 252 -19.361 5.588 -1.458 1.00 93.23 N +ATOM 2014 NH2 ARG A 252 -18.255 7.142 -2.606 1.00 93.24 N1+ +ATOM 2015 N LEU A 253 -17.103 3.346 4.731 1.00 94.92 N +ATOM 2016 CA LEU A 253 -16.631 2.907 6.050 1.00 94.95 C +ATOM 2017 C LEU A 253 -16.915 3.992 7.104 1.00 94.93 C +ATOM 2018 O LEU A 253 -16.769 5.180 6.813 1.00 94.64 O +ATOM 2019 CB LEU A 253 -15.123 2.607 5.981 1.00 94.93 C +ATOM 2020 CG LEU A 253 -14.763 1.352 5.179 1.00 94.69 C +ATOM 2021 CD1 LEU A 253 -13.246 1.280 4.991 1.00 94.26 C +ATOM 2022 CD2 LEU A 253 -15.190 0.075 5.921 1.00 94.12 C +ATOM 2023 N PRO A 254 -17.309 3.618 8.326 1.00 95.63 N +ATOM 2024 CA PRO A 254 -17.637 4.571 9.389 1.00 95.46 C +ATOM 2025 C PRO A 254 -16.376 5.278 9.890 1.00 95.59 C +ATOM 2026 O PRO A 254 -15.257 4.815 9.705 1.00 95.21 O +ATOM 2027 CB PRO A 254 -18.286 3.727 10.482 1.00 95.02 C +ATOM 2028 CG PRO A 254 -17.588 2.379 10.343 1.00 94.08 C +ATOM 2029 CD PRO A 254 -17.431 2.251 8.840 1.00 94.71 C +ATOM 2030 N ARG A 255 -16.548 6.383 10.556 1.00 95.13 N +ATOM 2031 CA ARG A 255 -15.465 7.075 11.254 1.00 95.00 C +ATOM 2032 C ARG A 255 -14.914 6.170 12.373 1.00 94.87 C +ATOM 2033 O ARG A 255 -15.696 5.791 13.231 1.00 94.48 O +ATOM 2034 CB ARG A 255 -15.952 8.419 11.772 1.00 94.65 C +ATOM 2035 CG ARG A 255 -14.863 9.188 12.509 1.00 93.43 C +ATOM 2036 CD ARG A 255 -15.393 10.554 12.952 1.00 92.09 C +ATOM 2037 NE ARG A 255 -14.481 11.213 13.882 1.00 89.97 N +ATOM 2038 CZ ARG A 255 -14.719 12.301 14.586 1.00 88.62 C +ATOM 2039 NH1 ARG A 255 -15.842 12.961 14.458 1.00 86.79 N +ATOM 2040 NH2 ARG A 255 -13.837 12.752 15.422 1.00 87.48 N1+ +ATOM 2041 N PRO A 256 -13.624 5.858 12.409 1.00 94.62 N +ATOM 2042 CA PRO A 256 -13.016 5.126 13.508 1.00 94.59 C +ATOM 2043 C PRO A 256 -13.138 5.887 14.835 1.00 94.63 C +ATOM 2044 O PRO A 256 -13.132 7.124 14.862 1.00 94.20 O +ATOM 2045 CB PRO A 256 -11.555 4.937 13.133 1.00 94.42 C +ATOM 2046 CG PRO A 256 -11.566 5.013 11.601 1.00 93.93 C +ATOM 2047 CD PRO A 256 -12.655 6.054 11.349 1.00 94.76 C +ATOM 2048 N ASP A 257 -13.200 5.160 15.935 1.00 93.03 N +ATOM 2049 CA ASP A 257 -13.112 5.757 17.275 1.00 92.67 C +ATOM 2050 C ASP A 257 -11.822 6.559 17.417 1.00 92.89 C +ATOM 2051 O ASP A 257 -10.738 6.154 16.960 1.00 91.84 O +ATOM 2052 CB ASP A 257 -13.155 4.674 18.347 1.00 91.19 C +ATOM 2053 CG ASP A 257 -14.576 4.247 18.722 1.00 84.51 C +ATOM 2054 OD1 ASP A 257 -15.543 4.918 18.295 1.00 77.64 O +ATOM 2055 OD2 ASP A 257 -14.662 3.316 19.567 1.00 76.63 O +ATOM 2056 N LYS A 258 -11.915 7.681 18.051 1.00 91.57 N +ATOM 2057 CA LYS A 258 -10.800 8.634 18.244 1.00 91.33 C +ATOM 2058 C LYS A 258 -10.188 9.206 16.952 1.00 91.86 C +ATOM 2059 O LYS A 258 -9.257 10.001 17.066 1.00 90.48 O +ATOM 2060 CB LYS A 258 -9.723 8.026 19.149 1.00 89.61 C +ATOM 2061 CG LYS A 258 -10.279 7.432 20.454 1.00 83.29 C +ATOM 2062 CD LYS A 258 -9.148 6.696 21.201 1.00 77.81 C +ATOM 2063 CE LYS A 258 -9.715 5.994 22.420 1.00 70.92 C +ATOM 2064 NZ LYS A 258 -8.671 5.170 23.106 1.00 63.76 N1+ +ATOM 2065 N CYS A 259 -10.661 8.845 15.785 1.00 94.46 N +ATOM 2066 CA CYS A 259 -10.254 9.517 14.552 1.00 94.59 C +ATOM 2067 C CYS A 259 -10.776 10.964 14.563 1.00 94.71 C +ATOM 2068 O CYS A 259 -11.975 11.173 14.646 1.00 94.30 O +ATOM 2069 CB CYS A 259 -10.816 8.747 13.369 1.00 94.30 C +ATOM 2070 SG CYS A 259 -10.351 9.531 11.799 1.00 93.54 S +ATOM 2071 N PRO A 260 -9.896 11.977 14.426 1.00 94.89 N +ATOM 2072 CA PRO A 260 -10.337 13.369 14.314 1.00 94.76 C +ATOM 2073 C PRO A 260 -11.253 13.566 13.113 1.00 94.93 C +ATOM 2074 O PRO A 260 -11.090 12.925 12.076 1.00 94.54 O +ATOM 2075 CB PRO A 260 -9.050 14.194 14.186 1.00 94.21 C +ATOM 2076 CG PRO A 260 -7.996 13.312 14.854 1.00 92.97 C +ATOM 2077 CD PRO A 260 -8.444 11.902 14.474 1.00 93.71 C +ATOM 2078 N ALA A 261 -12.169 14.497 13.234 1.00 95.35 N +ATOM 2079 CA ALA A 261 -13.126 14.758 12.159 1.00 95.26 C +ATOM 2080 C ALA A 261 -12.433 15.191 10.852 1.00 95.42 C +ATOM 2081 O ALA A 261 -12.864 14.747 9.793 1.00 95.08 O +ATOM 2082 CB ALA A 261 -14.103 15.829 12.644 1.00 94.76 C +ATOM 2083 N GLU A 262 -11.383 15.983 10.934 1.00 95.08 N +ATOM 2084 CA GLU A 262 -10.597 16.419 9.779 1.00 94.87 C +ATOM 2085 C GLU A 262 -9.901 15.238 9.077 1.00 95.24 C +ATOM 2086 O GLU A 262 -9.894 15.192 7.848 1.00 94.61 O +ATOM 2087 CB GLU A 262 -9.603 17.497 10.208 1.00 93.97 C +ATOM 2088 CG GLU A 262 -8.507 17.034 11.157 1.00 87.09 C +ATOM 2089 CD GLU A 262 -7.738 18.200 11.823 1.00 83.94 C +ATOM 2090 OE1 GLU A 262 -7.228 17.991 12.956 1.00 71.90 O +ATOM 2091 OE2 GLU A 262 -7.678 19.305 11.288 1.00 68.74 O +ATOM 2092 N VAL A 263 -9.415 14.253 9.829 1.00 95.74 N +ATOM 2093 CA VAL A 263 -8.784 13.054 9.253 1.00 95.81 C +ATOM 2094 C VAL A 263 -9.826 12.157 8.586 1.00 95.91 C +ATOM 2095 O VAL A 263 -9.588 11.633 7.508 1.00 95.79 O +ATOM 2096 CB VAL A 263 -7.996 12.279 10.328 1.00 95.67 C +ATOM 2097 CG1 VAL A 263 -6.898 13.142 10.951 1.00 95.20 C +ATOM 2098 CG2 VAL A 263 -7.320 11.041 9.738 1.00 95.17 C +ATOM 2099 N TYR A 264 -10.993 12.033 9.182 1.00 95.98 N +ATOM 2100 CA TYR A 264 -12.097 11.312 8.537 1.00 95.94 C +ATOM 2101 C TYR A 264 -12.594 12.021 7.268 1.00 95.87 C +ATOM 2102 O TYR A 264 -12.920 11.365 6.289 1.00 95.58 O +ATOM 2103 CB TYR A 264 -13.228 11.111 9.523 1.00 95.89 C +ATOM 2104 CG TYR A 264 -14.341 10.248 8.961 1.00 95.82 C +ATOM 2105 CD1 TYR A 264 -14.056 8.920 8.552 1.00 95.44 C +ATOM 2106 CD2 TYR A 264 -15.637 10.734 8.815 1.00 95.26 C +ATOM 2107 CE1 TYR A 264 -15.066 8.104 8.019 1.00 94.83 C +ATOM 2108 CE2 TYR A 264 -16.660 9.926 8.291 1.00 94.88 C +ATOM 2109 CZ TYR A 264 -16.378 8.600 7.899 1.00 94.93 C +ATOM 2110 OH TYR A 264 -17.369 7.808 7.388 1.00 94.44 O +ATOM 2111 N HIS A 265 -12.599 13.344 7.264 1.00 95.49 N +ATOM 2112 CA HIS A 265 -12.891 14.097 6.041 1.00 95.22 C +ATOM 2113 C HIS A 265 -11.874 13.798 4.939 1.00 95.47 C +ATOM 2114 O HIS A 265 -12.270 13.607 3.799 1.00 94.99 O +ATOM 2115 CB HIS A 265 -12.944 15.605 6.370 1.00 94.59 C +ATOM 2116 CG HIS A 265 -14.225 16.228 5.945 1.00 91.81 C +ATOM 2117 ND1 HIS A 265 -15.344 16.394 6.748 1.00 85.40 N1+ +ATOM 2118 CD2 HIS A 265 -14.534 16.775 4.710 1.00 82.47 C +ATOM 2119 CE1 HIS A 265 -16.296 17.007 6.041 1.00 79.74 C +ATOM 2120 NE2 HIS A 265 -15.842 17.246 4.794 1.00 80.55 N +ATOM 2121 N LEU A 266 -10.613 13.696 5.289 1.00 95.80 N +ATOM 2122 CA LEU A 266 -9.554 13.326 4.369 1.00 95.73 C +ATOM 2123 C LEU A 266 -9.764 11.906 3.806 1.00 96.01 C +ATOM 2124 O LEU A 266 -9.645 11.712 2.598 1.00 95.70 O +ATOM 2125 CB LEU A 266 -8.217 13.437 5.111 1.00 95.15 C +ATOM 2126 CG LEU A 266 -7.002 13.333 4.182 1.00 92.21 C +ATOM 2127 CD1 LEU A 266 -5.730 13.193 5.021 1.00 89.58 C +ATOM 2128 CD2 LEU A 266 -6.873 14.583 3.306 1.00 86.09 C +ATOM 2129 N MET A 267 -10.165 10.950 4.638 1.00 95.99 N +ATOM 2130 CA MET A 267 -10.544 9.608 4.139 1.00 95.85 C +ATOM 2131 C MET A 267 -11.688 9.696 3.123 1.00 95.85 C +ATOM 2132 O MET A 267 -11.614 9.078 2.067 1.00 95.47 O +ATOM 2133 CB MET A 267 -10.989 8.685 5.277 1.00 95.52 C +ATOM 2134 CG MET A 267 -9.915 8.369 6.306 1.00 93.78 C +ATOM 2135 SD MET A 267 -10.558 7.315 7.633 1.00 92.43 S +ATOM 2136 CE MET A 267 -9.278 7.538 8.851 1.00 88.69 C +ATOM 2137 N LYS A 268 -12.714 10.466 3.436 1.00 95.90 N +ATOM 2138 CA LYS A 268 -13.860 10.643 2.542 1.00 95.72 C +ATOM 2139 C LYS A 268 -13.479 11.291 1.219 1.00 95.84 C +ATOM 2140 O LYS A 268 -13.999 10.857 0.193 1.00 95.33 O +ATOM 2141 CB LYS A 268 -14.975 11.450 3.228 1.00 95.23 C +ATOM 2142 CG LYS A 268 -15.662 10.624 4.315 1.00 93.18 C +ATOM 2143 CD LYS A 268 -16.875 11.371 4.900 1.00 90.83 C +ATOM 2144 CE LYS A 268 -18.024 11.402 3.885 1.00 86.77 C +ATOM 2145 NZ LYS A 268 -19.227 12.027 4.461 1.00 81.85 N1+ +ATOM 2146 N ASN A 269 -12.560 12.227 1.224 1.00 96.06 N +ATOM 2147 CA ASN A 269 -12.055 12.809 -0.013 1.00 95.92 C +ATOM 2148 C ASN A 269 -11.320 11.784 -0.878 1.00 96.11 C +ATOM 2149 O ASN A 269 -11.449 11.804 -2.103 1.00 95.80 O +ATOM 2150 CB ASN A 269 -11.133 14.011 0.322 1.00 95.54 C +ATOM 2151 CG ASN A 269 -11.824 15.172 0.983 1.00 93.97 C +ATOM 2152 OD1 ASN A 269 -13.048 15.275 1.016 1.00 90.21 O +ATOM 2153 ND2 ASN A 269 -11.061 16.099 1.518 1.00 85.52 N +ATOM 2154 N CYS A 270 -10.615 10.841 -0.251 1.00 96.10 N +ATOM 2155 CA CYS A 270 -10.024 9.698 -0.963 1.00 96.11 C +ATOM 2156 C CYS A 270 -11.078 8.729 -1.515 1.00 96.07 C +ATOM 2157 O CYS A 270 -10.770 7.934 -2.394 1.00 95.81 O +ATOM 2158 CB CYS A 270 -9.058 8.961 -0.028 1.00 96.18 C +ATOM 2159 SG CYS A 270 -7.681 10.000 0.518 1.00 96.24 S +ATOM 2160 N TRP A 271 -12.302 8.779 -1.006 1.00 95.89 N +ATOM 2161 CA TRP A 271 -13.431 7.929 -1.405 1.00 95.86 C +ATOM 2162 C TRP A 271 -14.491 8.658 -2.222 1.00 95.67 C +ATOM 2163 O TRP A 271 -15.655 8.236 -2.231 1.00 95.28 O +ATOM 2164 CB TRP A 271 -14.026 7.269 -0.169 1.00 95.92 C +ATOM 2165 CG TRP A 271 -13.107 6.461 0.672 1.00 96.18 C +ATOM 2166 CD1 TRP A 271 -12.023 5.757 0.251 1.00 95.94 C +ATOM 2167 CD2 TRP A 271 -13.197 6.245 2.120 1.00 96.08 C +ATOM 2168 NE1 TRP A 271 -11.438 5.134 1.355 1.00 95.71 N +ATOM 2169 CE2 TRP A 271 -12.138 5.405 2.505 1.00 95.88 C +ATOM 2170 CE3 TRP A 271 -14.085 6.693 3.117 1.00 95.91 C +ATOM 2171 CZ2 TRP A 271 -11.959 4.996 3.861 1.00 95.68 C +ATOM 2172 CZ3 TRP A 271 -13.901 6.291 4.457 1.00 95.62 C +ATOM 2173 CH2 TRP A 271 -12.853 5.444 4.820 1.00 95.47 C +ATOM 2174 N GLU A 272 -14.114 9.735 -2.863 1.00 96.30 N +ATOM 2175 CA GLU A 272 -14.994 10.357 -3.861 1.00 96.11 C +ATOM 2176 C GLU A 272 -15.361 9.352 -4.970 1.00 96.12 C +ATOM 2177 O GLU A 272 -14.491 8.609 -5.456 1.00 95.57 O +ATOM 2178 CB GLU A 272 -14.344 11.602 -4.475 1.00 95.60 C +ATOM 2179 CG GLU A 272 -14.323 12.795 -3.520 1.00 93.52 C +ATOM 2180 CD GLU A 272 -15.727 13.351 -3.210 1.00 91.58 C +ATOM 2181 OE1 GLU A 272 -15.865 14.031 -2.174 1.00 80.02 O +ATOM 2182 OE2 GLU A 272 -16.653 13.057 -3.987 1.00 78.30 O +ATOM 2183 N THR A 273 -16.604 9.323 -5.343 1.00 95.11 N +ATOM 2184 CA THR A 273 -17.075 8.391 -6.384 1.00 95.00 C +ATOM 2185 C THR A 273 -16.417 8.669 -7.725 1.00 95.00 C +ATOM 2186 O THR A 273 -15.923 7.752 -8.365 1.00 94.45 O +ATOM 2187 CB THR A 273 -18.606 8.460 -6.523 1.00 94.46 C +ATOM 2188 OG1 THR A 273 -19.218 8.152 -5.304 1.00 92.60 O +ATOM 2189 CG2 THR A 273 -19.155 7.477 -7.551 1.00 91.54 C +ATOM 2190 N GLU A 274 -16.384 9.933 -8.117 1.00 94.95 N +ATOM 2191 CA GLU A 274 -15.638 10.372 -9.289 1.00 94.72 C +ATOM 2192 C GLU A 274 -14.136 10.372 -8.979 1.00 95.03 C +ATOM 2193 O GLU A 274 -13.687 11.110 -8.099 1.00 94.35 O +ATOM 2194 CB GLU A 274 -16.101 11.760 -9.731 1.00 93.62 C +ATOM 2195 CG GLU A 274 -17.329 11.713 -10.628 1.00 87.07 C +ATOM 2196 CD GLU A 274 -17.051 11.022 -11.971 1.00 82.96 C +ATOM 2197 OE1 GLU A 274 -17.960 10.357 -12.492 1.00 71.34 O +ATOM 2198 OE2 GLU A 274 -15.895 11.113 -12.436 1.00 68.92 O +ATOM 2199 N ALA A 275 -13.376 9.603 -9.734 1.00 95.11 N +ATOM 2200 CA ALA A 275 -11.939 9.488 -9.538 1.00 95.05 C +ATOM 2201 C ALA A 275 -11.200 10.836 -9.624 1.00 95.11 C +ATOM 2202 O ALA A 275 -10.268 11.080 -8.864 1.00 94.37 O +ATOM 2203 CB ALA A 275 -11.416 8.487 -10.567 1.00 94.49 C +ATOM 2204 N SER A 276 -11.645 11.716 -10.505 1.00 94.83 N +ATOM 2205 CA SER A 276 -11.080 13.057 -10.706 1.00 94.66 C +ATOM 2206 C SER A 276 -11.244 14.006 -9.511 1.00 95.02 C +ATOM 2207 O SER A 276 -10.512 14.987 -9.421 1.00 94.11 O +ATOM 2208 CB SER A 276 -11.732 13.691 -11.924 1.00 93.43 C +ATOM 2209 OG SER A 276 -13.158 13.714 -11.798 1.00 86.27 O +ATOM 2210 N PHE A 277 -12.156 13.718 -8.614 1.00 95.16 N +ATOM 2211 CA PHE A 277 -12.372 14.526 -7.405 1.00 95.06 C +ATOM 2212 C PHE A 277 -11.515 14.085 -6.217 1.00 95.22 C +ATOM 2213 O PHE A 277 -11.445 14.805 -5.224 1.00 94.76 O +ATOM 2214 CB PHE A 277 -13.839 14.494 -7.031 1.00 94.75 C +ATOM 2215 CG PHE A 277 -14.794 15.104 -8.063 1.00 94.19 C +ATOM 2216 CD1 PHE A 277 -14.351 15.880 -9.149 1.00 92.97 C +ATOM 2217 CD2 PHE A 277 -16.167 14.871 -7.904 1.00 92.19 C +ATOM 2218 CE1 PHE A 277 -15.248 16.399 -10.075 1.00 90.60 C +ATOM 2219 CE2 PHE A 277 -17.093 15.398 -8.828 1.00 91.06 C +ATOM 2220 CZ PHE A 277 -16.626 16.163 -9.911 1.00 91.14 C +ATOM 2221 N ARG A 278 -10.849 12.938 -6.302 1.00 95.69 N +ATOM 2222 CA ARG A 278 -9.954 12.491 -5.256 1.00 95.72 C +ATOM 2223 C ARG A 278 -8.652 13.307 -5.282 1.00 95.62 C +ATOM 2224 O ARG A 278 -8.168 13.653 -6.362 1.00 95.28 O +ATOM 2225 CB ARG A 278 -9.657 10.997 -5.398 1.00 95.74 C +ATOM 2226 CG ARG A 278 -10.933 10.155 -5.409 1.00 95.76 C +ATOM 2227 CD ARG A 278 -10.647 8.685 -5.660 1.00 95.51 C +ATOM 2228 NE ARG A 278 -11.858 7.998 -6.082 1.00 95.39 N +ATOM 2229 CZ ARG A 278 -11.944 6.956 -6.905 1.00 95.47 C +ATOM 2230 NH1 ARG A 278 -10.907 6.339 -7.356 1.00 94.81 N +ATOM 2231 NH2 ARG A 278 -13.109 6.556 -7.300 1.00 94.90 N1+ +ATOM 2232 N PRO A 279 -8.051 13.598 -4.124 1.00 96.05 N +ATOM 2233 CA PRO A 279 -6.732 14.220 -4.086 1.00 96.00 C +ATOM 2234 C PRO A 279 -5.681 13.305 -4.699 1.00 96.13 C +ATOM 2235 O PRO A 279 -5.832 12.095 -4.707 1.00 95.74 O +ATOM 2236 CB PRO A 279 -6.463 14.495 -2.605 1.00 95.70 C +ATOM 2237 CG PRO A 279 -7.266 13.412 -1.887 1.00 95.07 C +ATOM 2238 CD PRO A 279 -8.497 13.234 -2.777 1.00 95.75 C +ATOM 2239 N THR A 280 -4.602 13.864 -5.175 1.00 96.27 N +ATOM 2240 CA THR A 280 -3.405 13.086 -5.516 1.00 96.23 C +ATOM 2241 C THR A 280 -2.570 12.806 -4.271 1.00 96.32 C +ATOM 2242 O THR A 280 -2.729 13.470 -3.244 1.00 96.06 O +ATOM 2243 CB THR A 280 -2.554 13.786 -6.581 1.00 95.98 C +ATOM 2244 OG1 THR A 280 -1.961 14.951 -6.046 1.00 95.50 O +ATOM 2245 CG2 THR A 280 -3.366 14.183 -7.806 1.00 95.42 C +ATOM 2246 N PHE A 281 -1.632 11.880 -4.344 1.00 96.34 N +ATOM 2247 CA PHE A 281 -0.683 11.665 -3.243 1.00 96.36 C +ATOM 2248 C PHE A 281 0.178 12.899 -2.974 1.00 96.33 C +ATOM 2249 O PHE A 281 0.406 13.231 -1.815 1.00 96.08 O +ATOM 2250 CB PHE A 281 0.172 10.425 -3.525 1.00 96.40 C +ATOM 2251 CG PHE A 281 -0.585 9.133 -3.337 1.00 96.57 C +ATOM 2252 CD1 PHE A 281 -1.051 8.768 -2.053 1.00 96.31 C +ATOM 2253 CD2 PHE A 281 -0.822 8.266 -4.414 1.00 96.33 C +ATOM 2254 CE1 PHE A 281 -1.761 7.570 -1.859 1.00 96.08 C +ATOM 2255 CE2 PHE A 281 -1.532 7.067 -4.230 1.00 96.10 C +ATOM 2256 CZ PHE A 281 -2.003 6.723 -2.953 1.00 96.10 C +ATOM 2257 N GLU A 282 0.553 13.641 -4.018 1.00 96.41 N +ATOM 2258 CA GLU A 282 1.256 14.918 -3.847 1.00 96.15 C +ATOM 2259 C GLU A 282 0.429 15.936 -3.072 1.00 96.34 C +ATOM 2260 O GLU A 282 0.985 16.673 -2.250 1.00 95.70 O +ATOM 2261 CB GLU A 282 1.640 15.528 -5.203 1.00 95.35 C +ATOM 2262 CG GLU A 282 2.828 14.816 -5.861 1.00 88.27 C +ATOM 2263 CD GLU A 282 3.367 15.573 -7.081 1.00 84.51 C +ATOM 2264 OE1 GLU A 282 4.585 15.456 -7.341 1.00 71.06 O +ATOM 2265 OE2 GLU A 282 2.553 16.261 -7.744 1.00 69.01 O +ATOM 2266 N ASN A 283 -0.873 15.974 -3.270 1.00 95.98 N +ATOM 2267 CA ASN A 283 -1.740 16.852 -2.491 1.00 95.93 C +ATOM 2268 C ASN A 283 -1.894 16.380 -1.045 1.00 96.09 C +ATOM 2269 O ASN A 283 -2.046 17.193 -0.147 1.00 95.69 O +ATOM 2270 CB ASN A 283 -3.134 16.944 -3.139 1.00 95.50 C +ATOM 2271 CG ASN A 283 -3.127 17.398 -4.582 1.00 93.95 C +ATOM 2272 OD1 ASN A 283 -3.818 16.823 -5.400 1.00 91.23 O +ATOM 2273 ND2 ASN A 283 -2.379 18.424 -4.933 1.00 88.01 N +ATOM 2274 N LEU A 284 -1.860 15.078 -0.811 1.00 96.24 N +ATOM 2275 CA LEU A 284 -2.051 14.505 0.514 1.00 96.27 C +ATOM 2276 C LEU A 284 -0.842 14.717 1.432 1.00 96.30 C +ATOM 2277 O LEU A 284 -1.034 14.925 2.628 1.00 96.05 O +ATOM 2278 CB LEU A 284 -2.348 13.006 0.362 1.00 96.32 C +ATOM 2279 CG LEU A 284 -3.753 12.689 -0.189 1.00 96.17 C +ATOM 2280 CD1 LEU A 284 -3.842 11.204 -0.555 1.00 95.82 C +ATOM 2281 CD2 LEU A 284 -4.831 12.986 0.850 1.00 95.65 C +ATOM 2282 N ILE A 285 0.362 14.706 0.896 1.00 96.17 N +ATOM 2283 CA ILE A 285 1.607 14.873 1.669 1.00 96.18 C +ATOM 2284 C ILE A 285 1.592 16.144 2.533 1.00 96.18 C +ATOM 2285 O ILE A 285 1.713 16.008 3.760 1.00 95.97 O +ATOM 2286 CB ILE A 285 2.839 14.806 0.743 1.00 96.05 C +ATOM 2287 CG1 ILE A 285 3.032 13.379 0.194 1.00 95.70 C +ATOM 2288 CG2 ILE A 285 4.121 15.232 1.492 1.00 95.59 C +ATOM 2289 CD1 ILE A 285 3.908 13.348 -1.071 1.00 94.63 C +ATOM 2290 N PRO A 286 1.430 17.356 1.990 1.00 95.85 N +ATOM 2291 CA PRO A 286 1.465 18.560 2.817 1.00 95.68 C +ATOM 2292 C PRO A 286 0.295 18.635 3.801 1.00 95.75 C +ATOM 2293 O PRO A 286 0.472 19.145 4.919 1.00 95.27 O +ATOM 2294 CB PRO A 286 1.450 19.717 1.819 1.00 95.30 C +ATOM 2295 CG PRO A 286 0.785 19.115 0.576 1.00 94.47 C +ATOM 2296 CD PRO A 286 1.279 17.683 0.594 1.00 95.22 C +ATOM 2297 N ILE A 287 -0.856 18.076 3.447 1.00 95.90 N +ATOM 2298 CA ILE A 287 -2.024 18.017 4.331 1.00 95.79 C +ATOM 2299 C ILE A 287 -1.701 17.124 5.537 1.00 95.88 C +ATOM 2300 O ILE A 287 -1.829 17.564 6.682 1.00 95.55 O +ATOM 2301 CB ILE A 287 -3.277 17.532 3.575 1.00 95.47 C +ATOM 2302 CG1 ILE A 287 -3.651 18.513 2.446 1.00 94.30 C +ATOM 2303 CG2 ILE A 287 -4.460 17.357 4.540 1.00 93.86 C +ATOM 2304 CD1 ILE A 287 -4.714 17.966 1.479 1.00 91.47 C +ATOM 2305 N LEU A 288 -1.219 15.930 5.298 1.00 95.76 N +ATOM 2306 CA LEU A 288 -0.866 14.991 6.364 1.00 95.70 C +ATOM 2307 C LEU A 288 0.295 15.505 7.214 1.00 95.71 C +ATOM 2308 O LEU A 288 0.270 15.313 8.426 1.00 95.38 O +ATOM 2309 CB LEU A 288 -0.523 13.636 5.752 1.00 95.62 C +ATOM 2310 CG LEU A 288 -1.760 12.861 5.289 1.00 95.20 C +ATOM 2311 CD1 LEU A 288 -1.315 11.677 4.424 1.00 94.56 C +ATOM 2312 CD2 LEU A 288 -2.545 12.280 6.493 1.00 94.36 C +ATOM 2313 N LYS A 289 1.237 16.195 6.615 1.00 95.21 N +ATOM 2314 CA LYS A 289 2.339 16.865 7.345 1.00 95.09 C +ATOM 2315 C LYS A 289 1.823 17.874 8.344 1.00 95.21 C +ATOM 2316 O LYS A 289 2.189 17.817 9.518 1.00 94.65 O +ATOM 2317 CB LYS A 289 3.299 17.486 6.324 1.00 94.30 C +ATOM 2318 CG LYS A 289 4.744 17.442 6.820 1.00 90.12 C +ATOM 2319 CD LYS A 289 5.683 17.869 5.682 1.00 86.21 C +ATOM 2320 CE LYS A 289 7.145 17.606 6.048 1.00 79.75 C +ATOM 2321 NZ LYS A 289 8.033 17.754 4.883 1.00 73.29 N1+ +ATOM 2322 N THR A 290 0.918 18.731 7.913 1.00 95.07 N +ATOM 2323 CA THR A 290 0.286 19.747 8.781 1.00 94.95 C +ATOM 2324 C THR A 290 -0.528 19.100 9.892 1.00 95.05 C +ATOM 2325 O THR A 290 -0.437 19.531 11.053 1.00 94.38 O +ATOM 2326 CB THR A 290 -0.630 20.638 7.939 1.00 94.41 C +ATOM 2327 OG1 THR A 290 0.107 21.250 6.910 1.00 91.87 O +ATOM 2328 CG2 THR A 290 -1.253 21.763 8.766 1.00 90.66 C +ATOM 2329 N VAL A 291 -1.296 18.068 9.572 1.00 94.80 N +ATOM 2330 CA VAL A 291 -2.109 17.381 10.577 1.00 94.70 C +ATOM 2331 C VAL A 291 -1.212 16.624 11.565 1.00 94.70 C +ATOM 2332 O VAL A 291 -1.429 16.727 12.773 1.00 94.12 O +ATOM 2333 CB VAL A 291 -3.135 16.445 9.901 1.00 94.22 C +ATOM 2334 CG1 VAL A 291 -4.110 17.231 9.029 1.00 92.42 C +ATOM 2335 CG2 VAL A 291 -3.982 15.715 10.930 1.00 92.12 C +ATOM 2336 N HIS A 292 -0.189 15.966 11.089 1.00 94.85 N +ATOM 2337 CA HIS A 292 0.791 15.301 11.957 1.00 94.69 C +ATOM 2338 C HIS A 292 1.469 16.264 12.935 1.00 94.53 C +ATOM 2339 O HIS A 292 1.510 15.980 14.140 1.00 93.78 O +ATOM 2340 CB HIS A 292 1.823 14.591 11.071 1.00 94.37 C +ATOM 2341 CG HIS A 292 3.014 14.107 11.849 1.00 93.48 C +ATOM 2342 ND1 HIS A 292 2.986 13.220 12.904 1.00 89.57 N1+ +ATOM 2343 CD2 HIS A 292 4.319 14.516 11.708 1.00 88.78 C +ATOM 2344 CE1 HIS A 292 4.235 13.091 13.378 1.00 88.75 C +ATOM 2345 NE2 HIS A 292 5.072 13.857 12.665 1.00 90.41 N +ATOM 2346 N GLU A 293 1.944 17.399 12.463 1.00 93.25 N +ATOM 2347 CA GLU A 293 2.544 18.424 13.323 1.00 92.94 C +ATOM 2348 C GLU A 293 1.571 18.926 14.393 1.00 92.95 C +ATOM 2349 O GLU A 293 1.927 19.013 15.563 1.00 92.15 O +ATOM 2350 CB GLU A 293 3.052 19.591 12.473 1.00 91.54 C +ATOM 2351 CG GLU A 293 4.359 19.222 11.749 1.00 82.31 C +ATOM 2352 CD GLU A 293 4.895 20.338 10.853 1.00 77.82 C +ATOM 2353 OE1 GLU A 293 5.999 20.149 10.298 1.00 66.97 O +ATOM 2354 OE2 GLU A 293 4.232 21.394 10.717 1.00 63.47 O +ATOM 2355 N LYS A 294 0.338 19.160 14.025 1.00 93.13 N +ATOM 2356 CA LYS A 294 -0.711 19.580 14.937 1.00 93.07 C +ATOM 2357 C LYS A 294 -0.911 18.611 16.088 1.00 93.15 C +ATOM 2358 O LYS A 294 -0.997 19.032 17.244 1.00 92.22 O +ATOM 2359 CB LYS A 294 -1.999 19.782 14.142 1.00 92.41 C +ATOM 2360 CG LYS A 294 -3.192 20.218 14.988 1.00 89.30 C +ATOM 2361 CD LYS A 294 -4.435 20.311 14.081 1.00 86.61 C +ATOM 2362 CE LYS A 294 -5.704 20.604 14.877 1.00 81.36 C +ATOM 2363 NZ LYS A 294 -6.902 20.485 13.996 1.00 72.63 N1+ +ATOM 2364 N TYR A 295 -0.928 17.321 15.824 1.00 93.06 N +ATOM 2365 CA TYR A 295 -1.164 16.298 16.858 1.00 93.21 C +ATOM 2366 C TYR A 295 0.117 15.902 17.595 1.00 93.00 C +ATOM 2367 O TYR A 295 0.040 15.465 18.747 1.00 91.87 O +ATOM 2368 CB TYR A 295 -1.868 15.091 16.251 1.00 93.05 C +ATOM 2369 CG TYR A 295 -3.316 15.376 15.940 1.00 93.22 C +ATOM 2370 CD1 TYR A 295 -4.255 15.471 16.984 1.00 92.38 C +ATOM 2371 CD2 TYR A 295 -3.719 15.589 14.612 1.00 92.08 C +ATOM 2372 CE1 TYR A 295 -5.583 15.819 16.686 1.00 91.23 C +ATOM 2373 CE2 TYR A 295 -5.051 15.938 14.317 1.00 91.77 C +ATOM 2374 CZ TYR A 295 -5.967 16.053 15.355 1.00 91.99 C +ATOM 2375 OH TYR A 295 -7.262 16.404 15.069 1.00 90.44 O +ATOM 2376 N ARG A 296 1.279 16.129 17.036 1.00 89.39 N +ATOM 2377 CA ARG A 296 2.559 15.897 17.691 1.00 88.22 C +ATOM 2378 C ARG A 296 2.786 16.856 18.873 1.00 87.49 C +ATOM 2379 O ARG A 296 3.284 16.422 19.916 1.00 85.33 O +ATOM 2380 CB ARG A 296 3.702 16.023 16.689 1.00 86.63 C +ATOM 2381 CG ARG A 296 4.958 15.312 17.188 1.00 80.76 C +ATOM 2382 CD ARG A 296 6.120 15.443 16.192 1.00 79.91 C +ATOM 2383 NE ARG A 296 6.860 16.688 16.408 1.00 76.05 N +ATOM 2384 CZ ARG A 296 7.969 17.042 15.802 1.00 71.04 C +ATOM 2385 NH1 ARG A 296 8.454 16.360 14.837 1.00 65.90 N +ATOM 2386 NH2 ARG A 296 8.613 18.116 16.148 1.00 63.99 N1+ +ATOM 2387 N HIS A 297 2.389 18.110 18.750 1.00 80.30 N +ATOM 2388 CA HIS A 297 2.554 19.117 19.798 1.00 79.95 C +ATOM 2389 C HIS A 297 1.620 18.914 20.992 1.00 79.77 C +ATOM 2390 O HIS A 297 1.992 19.225 22.102 1.00 76.03 O +ATOM 2391 CB HIS A 297 2.400 20.501 19.197 1.00 76.67 C +ATOM 2392 CG HIS A 297 3.602 20.906 18.379 1.00 73.55 C +ATOM 2393 ND1 HIS A 297 4.918 20.990 18.848 1.00 63.98 N1+ +ATOM 2394 CD2 HIS A 297 3.632 21.221 17.036 1.00 64.68 C +ATOM 2395 CE1 HIS A 297 5.693 21.348 17.816 1.00 63.39 C +ATOM 2396 NE2 HIS A 297 4.935 21.502 16.701 1.00 63.31 N +ATOM 2397 N HIS A 298 0.483 18.278 20.808 1.00 71.79 N +ATOM 2398 CA HIS A 298 -0.449 17.991 21.906 1.00 70.81 C +ATOM 2399 C HIS A 298 0.063 16.935 22.887 1.00 70.93 C +ATOM 2400 O HIS A 298 -0.361 16.955 24.045 1.00 67.05 O +ATOM 2401 CB HIS A 298 -1.800 17.608 21.329 1.00 66.23 C +ATOM 2402 CG HIS A 298 -2.582 18.792 20.855 1.00 64.53 C +ATOM 2403 ND1 HIS A 298 -2.979 19.867 21.649 1.00 53.75 N1+ +ATOM 2404 CD2 HIS A 298 -3.094 19.026 19.603 1.00 54.13 C +ATOM 2405 CE1 HIS A 298 -3.665 20.730 20.896 1.00 51.61 C +ATOM 2406 NE2 HIS A 298 -3.759 20.248 19.640 1.00 54.64 N +ATOM 2407 N HIS A 299 0.968 16.088 22.510 1.00 63.61 N +ATOM 2408 CA HIS A 299 1.552 15.062 23.398 1.00 63.10 C +ATOM 2409 C HIS A 299 2.715 15.566 24.280 1.00 63.34 C +ATOM 2410 O HIS A 299 3.138 14.840 25.182 1.00 58.65 O +ATOM 2411 CB HIS A 299 1.949 13.831 22.601 1.00 58.65 C +ATOM 2412 CG HIS A 299 0.792 12.884 22.409 1.00 56.23 C +ATOM 2413 ND1 HIS A 299 0.132 12.207 23.431 1.00 48.19 N1+ +ATOM 2414 CD2 HIS A 299 0.200 12.491 21.224 1.00 48.63 C +ATOM 2415 CE1 HIS A 299 -0.825 11.453 22.901 1.00 46.73 C +ATOM 2416 NE2 HIS A 299 -0.820 11.596 21.543 1.00 49.05 N +ATOM 2417 N HIS A 300 3.221 16.775 24.064 1.00 56.72 N +ATOM 2418 CA HIS A 300 4.265 17.358 24.913 1.00 54.68 C +ATOM 2419 C HIS A 300 3.742 18.283 26.005 1.00 55.71 C +ATOM 2420 O HIS A 300 4.534 18.843 26.756 1.00 52.26 O +ATOM 2421 CB HIS A 300 5.310 18.042 24.032 1.00 50.40 C +ATOM 2422 CG HIS A 300 6.256 17.078 23.344 1.00 47.17 C +ATOM 2423 ND1 HIS A 300 6.824 15.946 23.920 1.00 41.56 N1+ +ATOM 2424 CD2 HIS A 300 6.744 17.149 22.072 1.00 40.84 C +ATOM 2425 CE1 HIS A 300 7.632 15.363 23.045 1.00 37.74 C +ATOM 2426 NE2 HIS A 300 7.603 16.066 21.877 1.00 41.64 N +ATOM 2427 N HIS A 301 2.438 18.448 26.116 1.00 59.61 N +ATOM 2428 CA HIS A 301 1.800 19.333 27.109 1.00 57.81 C +ATOM 2429 C HIS A 301 0.918 18.591 28.112 1.00 57.84 C +ATOM 2430 O HIS A 301 0.163 19.252 28.819 1.00 53.24 O +ATOM 2431 CB HIS A 301 1.045 20.429 26.366 1.00 53.36 C +ATOM 2432 CG HIS A 301 1.957 21.462 25.761 1.00 50.45 C +ATOM 2433 ND1 HIS A 301 2.885 22.216 26.469 1.00 44.03 N1+ +ATOM 2434 CD2 HIS A 301 2.027 21.890 24.449 1.00 43.11 C +ATOM 2435 CE1 HIS A 301 3.511 23.039 25.634 1.00 40.23 C +ATOM 2436 NE2 HIS A 301 3.000 22.899 24.402 1.00 42.38 N +ATOM 2437 N HIS A 302 1.017 17.302 28.224 1.00 52.28 N +ATOM 2438 CA HIS A 302 0.329 16.505 29.252 1.00 49.76 C +ATOM 2439 C HIS A 302 1.308 15.567 29.974 1.00 49.40 C +ATOM 2440 O HIS A 302 2.185 14.998 29.296 1.00 44.24 O +ATOM 2441 CB HIS A 302 -0.827 15.725 28.626 1.00 45.28 C +ATOM 2442 CG HIS A 302 -2.044 16.579 28.381 1.00 42.58 C +ATOM 2443 ND1 HIS A 302 -2.639 17.387 29.346 1.00 37.36 N1+ +ATOM 2444 CD2 HIS A 302 -2.791 16.706 27.247 1.00 35.79 C +ATOM 2445 CE1 HIS A 302 -3.698 17.978 28.790 1.00 33.57 C +ATOM 2446 NE2 HIS A 302 -3.829 17.580 27.509 1.00 36.19 N +HETATM 2447 C1 LIG Z 1 7.690 -9.415 11.330 1.00 87.61 C +HETATM 2448 C2 LIG Z 1 8.903 -9.575 10.409 1.00 91.15 C +HETATM 2449 C3 LIG Z 1 9.610 -10.866 10.798 1.00 87.95 C +HETATM 2450 C4 LIG Z 1 8.506 -9.640 8.909 1.00 92.93 C +HETATM 2451 O1 LIG Z 1 7.496 -10.281 8.596 1.00 90.18 O +HETATM 2452 N1 LIG Z 1 9.352 -8.948 8.025 1.00 93.49 N +HETATM 2453 C5 LIG Z 1 9.208 -8.845 6.648 1.00 94.09 C +HETATM 2454 C6 LIG Z 1 8.030 -9.191 6.047 1.00 93.55 C +HETATM 2455 C7 LIG Z 1 7.920 -9.036 4.690 1.00 93.42 C +HETATM 2456 N2 LIG Z 1 6.646 -9.333 4.201 1.00 90.74 N +HETATM 2457 C8 LIG Z 1 6.247 -9.362 2.926 1.00 91.71 C +HETATM 2458 O2 LIG Z 1 7.001 -9.165 1.929 1.00 89.41 O +HETATM 2459 C9 LIG Z 1 4.841 -9.610 2.685 1.00 90.35 C +HETATM 2460 C10 LIG Z 1 4.010 -8.606 2.152 1.00 87.58 C +HETATM 2461 CL1 LIG Z 1 4.667 -7.041 1.803 1.00 87.11 CL +HETATM 2462 C11 LIG Z 1 2.641 -8.811 1.901 1.00 86.40 C +HETATM 2463 C12 LIG Z 1 2.055 -10.053 2.188 1.00 86.84 C +HETATM 2464 C13 LIG Z 1 2.859 -11.077 2.732 1.00 85.17 C +HETATM 2465 C14 LIG Z 1 4.222 -10.855 2.982 1.00 87.73 C +HETATM 2466 CL2 LIG Z 1 5.133 -12.123 3.692 1.00 85.91 CL +HETATM 2467 C15 LIG Z 1 8.978 -8.547 3.926 1.00 93.44 C +HETATM 2468 C16 LIG Z 1 10.170 -8.191 4.604 1.00 93.89 C +HETATM 2469 N3 LIG Z 1 10.265 -8.330 5.934 1.00 94.28 N +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2450 +CONECT 2449 2448 +CONECT 2450 2448 2451 2452 +CONECT 2451 2450 +CONECT 2452 2450 2453 +CONECT 2453 2452 2454 2469 +CONECT 2454 2453 2455 +CONECT 2455 2454 2456 2467 +CONECT 2456 2455 2457 +CONECT 2457 2456 2458 2459 +CONECT 2458 2457 +CONECT 2459 2457 2460 2465 +CONECT 2460 2459 2461 2462 +CONECT 2461 2460 +CONECT 2462 2460 2463 +CONECT 2463 2462 2464 +CONECT 2464 2463 2465 +CONECT 2465 2464 2466 2459 +CONECT 2466 2465 +CONECT 2467 2455 2468 +CONECT 2468 2467 2469 +CONECT 2469 2468 2453 diff --git a/cookbook/assets/of3_output/lig_ejm_46_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_46_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..2f0ca6c --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_46_seed_42_sample_1_model.pdb @@ -0,0 +1,3094 @@ +ATOM 1 N MET A 1 45.105 -11.344 -11.396 1.00 34.79 N +ATOM 2 CA MET A 1 43.757 -11.239 -11.956 1.00 30.99 C +ATOM 3 C MET A 1 42.851 -10.940 -10.744 1.00 31.97 C +ATOM 4 O MET A 1 42.798 -11.770 -9.831 1.00 29.61 O +ATOM 5 CB MET A 1 43.334 -12.553 -12.622 1.00 28.98 C +ATOM 6 CG MET A 1 44.032 -12.733 -13.968 1.00 27.25 C +ATOM 7 SD MET A 1 43.746 -14.368 -14.687 1.00 23.96 S +ATOM 8 CE MET A 1 44.446 -14.130 -16.331 1.00 21.71 C +ATOM 9 N GLY A 2 42.232 -9.763 -10.695 1.00 33.83 N +ATOM 10 CA GLY A 2 41.253 -9.484 -9.657 1.00 31.64 C +ATOM 11 C GLY A 2 40.077 -10.429 -9.824 1.00 34.00 C +ATOM 12 O GLY A 2 39.666 -10.679 -10.957 1.00 32.68 O +ATOM 13 N SER A 3 39.574 -10.984 -8.783 1.00 42.13 N +ATOM 14 CA SER A 3 38.326 -11.717 -8.824 1.00 41.45 C +ATOM 15 C SER A 3 37.275 -10.755 -9.416 1.00 42.68 C +ATOM 16 O SER A 3 37.197 -9.604 -8.951 1.00 40.74 O +ATOM 17 CB SER A 3 37.883 -12.138 -7.424 1.00 37.32 C +ATOM 18 OG SER A 3 38.831 -12.991 -6.848 1.00 35.18 O +ATOM 19 N PRO A 4 36.521 -11.194 -10.431 1.00 47.24 N +ATOM 20 CA PRO A 4 35.423 -10.341 -10.898 1.00 45.46 C +ATOM 21 C PRO A 4 34.578 -9.994 -9.682 1.00 47.77 C +ATOM 22 O PRO A 4 34.229 -10.892 -8.916 1.00 44.33 O +ATOM 23 CB PRO A 4 34.680 -11.183 -11.934 1.00 40.41 C +ATOM 24 CG PRO A 4 35.024 -12.606 -11.556 1.00 39.66 C +ATOM 25 CD PRO A 4 36.407 -12.518 -10.942 1.00 40.55 C +ATOM 26 N ALA A 5 34.322 -8.698 -9.478 1.00 54.63 N +ATOM 27 CA ALA A 5 33.523 -8.245 -8.364 1.00 54.41 C +ATOM 28 C ALA A 5 32.187 -8.975 -8.436 1.00 56.58 C +ATOM 29 O ALA A 5 31.481 -8.858 -9.428 1.00 53.05 O +ATOM 30 CB ALA A 5 33.358 -6.729 -8.438 1.00 48.01 C +ATOM 31 N SER A 6 31.907 -9.779 -7.445 1.00 67.52 N +ATOM 32 CA SER A 6 30.663 -10.527 -7.392 1.00 68.26 C +ATOM 33 C SER A 6 29.531 -9.527 -7.412 1.00 69.89 C +ATOM 34 O SER A 6 29.516 -8.634 -6.563 1.00 65.44 O +ATOM 35 CB SER A 6 30.639 -11.381 -6.138 1.00 62.46 C +ATOM 36 OG SER A 6 29.389 -12.065 -6.041 1.00 55.70 O +ATOM 37 N ASP A 7 28.607 -9.664 -8.340 1.00 78.14 N +ATOM 38 CA ASP A 7 27.446 -8.811 -8.406 1.00 79.64 C +ATOM 39 C ASP A 7 26.663 -8.960 -7.085 1.00 81.45 C +ATOM 40 O ASP A 7 26.192 -10.063 -6.798 1.00 80.36 O +ATOM 41 CB ASP A 7 26.611 -9.175 -9.647 1.00 76.56 C +ATOM 42 CG ASP A 7 25.300 -8.355 -9.768 1.00 73.81 C +ATOM 43 OD1 ASP A 7 24.962 -7.565 -8.843 1.00 66.13 O +ATOM 44 OD2 ASP A 7 24.615 -8.540 -10.783 1.00 68.25 O +ATOM 45 N PRO A 8 26.536 -7.891 -6.284 1.00 85.30 N +ATOM 46 CA PRO A 8 25.936 -7.974 -4.984 1.00 85.82 C +ATOM 47 C PRO A 8 24.435 -8.275 -5.044 1.00 86.80 C +ATOM 48 O PRO A 8 23.836 -8.604 -4.024 1.00 84.21 O +ATOM 49 CB PRO A 8 26.217 -6.609 -4.335 1.00 82.40 C +ATOM 50 CG PRO A 8 26.278 -5.663 -5.538 1.00 79.50 C +ATOM 51 CD PRO A 8 26.962 -6.523 -6.593 1.00 82.65 C +ATOM 52 N THR A 9 23.832 -8.189 -6.231 1.00 89.37 N +ATOM 53 CA THR A 9 22.433 -8.548 -6.462 1.00 89.89 C +ATOM 54 C THR A 9 22.228 -10.034 -6.778 1.00 90.34 C +ATOM 55 O THR A 9 21.102 -10.493 -6.898 1.00 88.49 O +ATOM 56 CB THR A 9 21.799 -7.690 -7.559 1.00 88.42 C +ATOM 57 OG1 THR A 9 22.299 -8.038 -8.855 1.00 85.99 O +ATOM 58 CG2 THR A 9 22.041 -6.191 -7.342 1.00 85.88 C +ATOM 59 N VAL A 10 23.278 -10.812 -6.902 1.00 91.27 N +ATOM 60 CA VAL A 10 23.196 -12.257 -7.122 1.00 91.45 C +ATOM 61 C VAL A 10 23.356 -12.982 -5.799 1.00 91.97 C +ATOM 62 O VAL A 10 24.452 -13.070 -5.233 1.00 90.97 O +ATOM 63 CB VAL A 10 24.201 -12.739 -8.170 1.00 90.01 C +ATOM 64 CG1 VAL A 10 23.954 -12.075 -9.525 1.00 85.02 C +ATOM 65 CG2 VAL A 10 24.091 -14.255 -8.379 1.00 85.08 C +ATOM 66 N PHE A 11 22.302 -13.567 -5.329 1.00 92.24 N +ATOM 67 CA PHE A 11 22.298 -14.377 -4.122 1.00 92.56 C +ATOM 68 C PHE A 11 22.425 -15.856 -4.467 1.00 92.58 C +ATOM 69 O PHE A 11 21.755 -16.398 -5.327 1.00 91.91 O +ATOM 70 CB PHE A 11 21.008 -14.106 -3.320 1.00 92.63 C +ATOM 71 CG PHE A 11 21.033 -12.779 -2.605 1.00 93.48 C +ATOM 72 CD1 PHE A 11 21.204 -12.748 -1.204 1.00 92.57 C +ATOM 73 CD2 PHE A 11 20.894 -11.586 -3.310 1.00 92.35 C +ATOM 74 CE1 PHE A 11 21.279 -11.518 -0.536 1.00 91.76 C +ATOM 75 CE2 PHE A 11 20.967 -10.348 -2.645 1.00 92.26 C +ATOM 76 CZ PHE A 11 21.171 -10.327 -1.262 1.00 92.38 C +ATOM 77 N HIS A 12 23.317 -16.533 -3.772 1.00 91.33 N +ATOM 78 CA HIS A 12 23.554 -17.943 -3.986 1.00 91.25 C +ATOM 79 C HIS A 12 22.756 -18.811 -3.018 1.00 91.54 C +ATOM 80 O HIS A 12 22.958 -18.722 -1.819 1.00 90.44 O +ATOM 81 CB HIS A 12 25.042 -18.236 -3.890 1.00 89.95 C +ATOM 82 CG HIS A 12 25.842 -17.568 -4.965 1.00 88.13 C +ATOM 83 ND1 HIS A 12 25.857 -17.957 -6.294 1.00 80.05 N1+ +ATOM 84 CD2 HIS A 12 26.665 -16.492 -4.833 1.00 79.19 C +ATOM 85 CE1 HIS A 12 26.690 -17.116 -6.943 1.00 78.61 C +ATOM 86 NE2 HIS A 12 27.196 -16.221 -6.097 1.00 79.80 N +ATOM 87 N LYS A 13 21.942 -19.685 -3.546 1.00 90.15 N +ATOM 88 CA LYS A 13 21.050 -20.545 -2.755 1.00 90.38 C +ATOM 89 C LYS A 13 21.752 -21.338 -1.661 1.00 90.99 C +ATOM 90 O LYS A 13 21.180 -21.545 -0.601 1.00 89.49 O +ATOM 91 CB LYS A 13 20.282 -21.447 -3.726 1.00 88.16 C +ATOM 92 CG LYS A 13 19.075 -22.144 -3.051 1.00 77.42 C +ATOM 93 CD LYS A 13 18.163 -22.786 -4.109 1.00 73.21 C +ATOM 94 CE LYS A 13 16.900 -23.374 -3.476 1.00 66.88 C +ATOM 95 NZ LYS A 13 15.868 -23.725 -4.483 1.00 60.34 N1+ +ATOM 96 N ARG A 14 23.001 -21.721 -1.896 1.00 89.65 N +ATOM 97 CA ARG A 14 23.820 -22.443 -0.913 1.00 89.36 C +ATOM 98 C ARG A 14 24.115 -21.675 0.369 1.00 89.82 C +ATOM 99 O ARG A 14 24.398 -22.290 1.390 1.00 88.11 O +ATOM 100 CB ARG A 14 25.135 -22.909 -1.564 1.00 87.77 C +ATOM 101 CG ARG A 14 26.062 -21.749 -1.968 1.00 81.79 C +ATOM 102 CD ARG A 14 27.351 -22.267 -2.605 1.00 78.37 C +ATOM 103 NE ARG A 14 28.211 -21.145 -3.015 1.00 73.13 N +ATOM 104 CZ ARG A 14 28.289 -20.592 -4.205 1.00 67.79 C +ATOM 105 NH1 ARG A 14 27.530 -20.971 -5.200 1.00 62.12 N +ATOM 106 NH2 ARG A 14 29.132 -19.643 -4.413 1.00 61.42 N1+ +ATOM 107 N TYR A 15 24.049 -20.343 0.318 1.00 91.02 N +ATOM 108 CA TYR A 15 24.262 -19.477 1.468 1.00 91.26 C +ATOM 109 C TYR A 15 22.978 -18.986 2.119 1.00 91.61 C +ATOM 110 O TYR A 15 23.034 -18.329 3.135 1.00 90.63 O +ATOM 111 CB TYR A 15 25.133 -18.285 1.049 1.00 90.77 C +ATOM 112 CG TYR A 15 26.465 -18.655 0.447 1.00 90.54 C +ATOM 113 CD1 TYR A 15 27.317 -19.580 1.101 1.00 88.01 C +ATOM 114 CD2 TYR A 15 26.874 -18.060 -0.765 1.00 87.43 C +ATOM 115 CE1 TYR A 15 28.569 -19.894 0.555 1.00 86.18 C +ATOM 116 CE2 TYR A 15 28.143 -18.354 -1.314 1.00 86.92 C +ATOM 117 CZ TYR A 15 28.988 -19.276 -0.644 1.00 87.22 C +ATOM 118 OH TYR A 15 30.236 -19.572 -1.171 1.00 85.14 O +ATOM 119 N LEU A 16 21.836 -19.310 1.544 1.00 91.72 N +ATOM 120 CA LEU A 16 20.522 -19.022 2.110 1.00 92.09 C +ATOM 121 C LEU A 16 20.087 -20.137 3.048 1.00 92.00 C +ATOM 122 O LEU A 16 19.756 -21.239 2.607 1.00 90.80 O +ATOM 123 CB LEU A 16 19.515 -18.775 0.968 1.00 91.64 C +ATOM 124 CG LEU A 16 19.641 -17.442 0.253 1.00 90.02 C +ATOM 125 CD1 LEU A 16 18.740 -17.430 -0.982 1.00 88.96 C +ATOM 126 CD2 LEU A 16 19.160 -16.273 1.136 1.00 88.37 C +ATOM 127 N LYS A 17 19.976 -19.814 4.321 1.00 92.38 N +ATOM 128 CA LYS A 17 19.466 -20.701 5.352 1.00 92.09 C +ATOM 129 C LYS A 17 18.071 -20.251 5.771 1.00 92.25 C +ATOM 130 O LYS A 17 17.927 -19.212 6.391 1.00 91.12 O +ATOM 131 CB LYS A 17 20.455 -20.717 6.542 1.00 90.68 C +ATOM 132 CG LYS A 17 21.814 -21.300 6.155 1.00 84.28 C +ATOM 133 CD LYS A 17 22.850 -21.142 7.270 1.00 80.57 C +ATOM 134 CE LYS A 17 24.216 -21.598 6.770 1.00 75.34 C +ATOM 135 NZ LYS A 17 25.343 -21.201 7.653 1.00 66.71 N1+ +ATOM 136 N LYS A 18 17.071 -21.033 5.432 1.00 91.59 N +ATOM 137 CA LYS A 18 15.691 -20.735 5.809 1.00 91.61 C +ATOM 138 C LYS A 18 15.525 -20.786 7.329 1.00 91.57 C +ATOM 139 O LYS A 18 15.934 -21.758 7.954 1.00 90.56 O +ATOM 140 CB LYS A 18 14.714 -21.700 5.102 1.00 90.88 C +ATOM 141 CG LYS A 18 13.273 -21.290 5.375 1.00 87.86 C +ATOM 142 CD LYS A 18 12.256 -22.165 4.588 1.00 85.85 C +ATOM 143 CE LYS A 18 10.876 -21.698 4.990 1.00 81.78 C +ATOM 144 NZ LYS A 18 9.765 -22.401 4.286 1.00 76.79 N1+ +ATOM 145 N ILE A 19 14.864 -19.758 7.863 1.00 91.92 N +ATOM 146 CA ILE A 19 14.549 -19.651 9.291 1.00 91.97 C +ATOM 147 C ILE A 19 13.085 -19.976 9.514 1.00 92.03 C +ATOM 148 O ILE A 19 12.761 -20.864 10.306 1.00 91.30 O +ATOM 149 CB ILE A 19 14.940 -18.242 9.829 1.00 91.41 C +ATOM 150 CG1 ILE A 19 16.464 -18.023 9.641 1.00 89.50 C +ATOM 151 CG2 ILE A 19 14.547 -18.109 11.304 1.00 88.59 C +ATOM 152 CD1 ILE A 19 16.939 -16.617 10.053 1.00 84.57 C +ATOM 153 N ARG A 20 12.177 -19.268 8.833 1.00 89.91 N +ATOM 154 CA ARG A 20 10.728 -19.472 8.982 1.00 89.45 C +ATOM 155 C ARG A 20 9.965 -18.889 7.810 1.00 89.87 C +ATOM 156 O ARG A 20 10.476 -18.040 7.098 1.00 88.78 O +ATOM 157 CB ARG A 20 10.239 -18.856 10.302 1.00 88.20 C +ATOM 158 CG ARG A 20 10.424 -17.336 10.388 1.00 84.09 C +ATOM 159 CD ARG A 20 9.982 -16.798 11.752 1.00 81.28 C +ATOM 160 NE ARG A 20 10.036 -15.338 11.783 1.00 78.10 N +ATOM 161 CZ ARG A 20 9.977 -14.552 12.853 1.00 75.53 C +ATOM 162 NH1 ARG A 20 9.885 -15.046 14.032 1.00 71.42 N +ATOM 163 NH2 ARG A 20 10.017 -13.266 12.729 1.00 70.58 N1+ +ATOM 164 N ASP A 21 8.712 -19.263 7.691 1.00 90.12 N +ATOM 165 CA ASP A 21 7.783 -18.575 6.774 1.00 90.48 C +ATOM 166 C ASP A 21 7.297 -17.274 7.402 1.00 90.71 C +ATOM 167 O ASP A 21 7.051 -17.210 8.609 1.00 89.61 O +ATOM 168 CB ASP A 21 6.642 -19.539 6.430 1.00 89.44 C +ATOM 169 CG ASP A 21 7.155 -20.774 5.685 1.00 86.64 C +ATOM 170 OD1 ASP A 21 8.089 -20.673 4.881 1.00 81.94 O +ATOM 171 OD2 ASP A 21 6.602 -21.882 5.886 1.00 80.24 O +ATOM 172 N LEU A 22 7.168 -16.257 6.579 1.00 90.68 N +ATOM 173 CA LEU A 22 6.640 -14.951 6.961 1.00 90.76 C +ATOM 174 C LEU A 22 5.198 -14.764 6.512 1.00 90.49 C +ATOM 175 O LEU A 22 4.439 -14.042 7.164 1.00 89.59 O +ATOM 176 CB LEU A 22 7.536 -13.842 6.383 1.00 91.19 C +ATOM 177 CG LEU A 22 8.978 -13.824 6.904 1.00 91.94 C +ATOM 178 CD1 LEU A 22 9.755 -12.702 6.213 1.00 91.38 C +ATOM 179 CD2 LEU A 22 9.039 -13.586 8.409 1.00 90.91 C +ATOM 180 N GLY A 23 4.805 -15.385 5.428 1.00 84.70 N +ATOM 181 CA GLY A 23 3.448 -15.341 4.904 1.00 83.88 C +ATOM 182 C GLY A 23 3.375 -15.605 3.412 1.00 84.32 C +ATOM 183 O GLY A 23 4.349 -16.001 2.787 1.00 83.25 O +ATOM 184 N GLU A 24 2.211 -15.397 2.860 1.00 80.14 N +ATOM 185 CA GLU A 24 1.981 -15.483 1.429 1.00 80.25 C +ATOM 186 C GLU A 24 1.578 -14.117 0.882 1.00 80.36 C +ATOM 187 O GLU A 24 0.713 -13.438 1.434 1.00 77.21 O +ATOM 188 CB GLU A 24 0.934 -16.548 1.083 1.00 77.58 C +ATOM 189 CG GLU A 24 1.385 -17.963 1.481 1.00 72.80 C +ATOM 190 CD GLU A 24 0.556 -19.082 0.855 1.00 69.96 C +ATOM 191 OE1 GLU A 24 0.976 -20.267 0.964 1.00 59.69 O +ATOM 192 OE2 GLU A 24 -0.480 -18.800 0.223 1.00 59.45 O +ATOM 193 N GLY A 25 2.218 -13.706 -0.188 1.00 78.72 N +ATOM 194 CA GLY A 25 1.862 -12.552 -0.992 1.00 78.75 C +ATOM 195 C GLY A 25 1.264 -12.977 -2.326 1.00 80.60 C +ATOM 196 O GLY A 25 0.991 -14.162 -2.564 1.00 77.73 O +ATOM 197 N HIS A 26 1.062 -12.009 -3.225 1.00 76.58 N +ATOM 198 CA HIS A 26 0.643 -12.346 -4.585 1.00 76.06 C +ATOM 199 C HIS A 26 1.710 -13.205 -5.274 1.00 76.97 C +ATOM 200 O HIS A 26 2.903 -12.963 -5.129 1.00 73.79 O +ATOM 201 CB HIS A 26 0.339 -11.075 -5.363 1.00 72.87 C +ATOM 202 CG HIS A 26 -0.996 -11.156 -6.028 1.00 72.62 C +ATOM 203 ND1 HIS A 26 -1.237 -11.707 -7.281 1.00 60.33 N1+ +ATOM 204 CD2 HIS A 26 -2.202 -10.745 -5.518 1.00 62.48 C +ATOM 205 CE1 HIS A 26 -2.560 -11.624 -7.521 1.00 61.28 C +ATOM 206 NE2 HIS A 26 -3.174 -11.047 -6.477 1.00 61.84 N +ATOM 207 N PHE A 27 1.301 -14.194 -6.004 1.00 76.57 N +ATOM 208 CA PHE A 27 2.111 -15.166 -6.777 1.00 77.38 C +ATOM 209 C PHE A 27 3.046 -16.088 -6.003 1.00 77.79 C +ATOM 210 O PHE A 27 3.589 -17.016 -6.600 1.00 71.39 O +ATOM 211 CB PHE A 27 2.884 -14.444 -7.879 1.00 72.43 C +ATOM 212 CG PHE A 27 2.042 -13.485 -8.705 1.00 73.98 C +ATOM 213 CD1 PHE A 27 0.941 -13.965 -9.417 1.00 67.50 C +ATOM 214 CD2 PHE A 27 2.366 -12.121 -8.742 1.00 69.01 C +ATOM 215 CE1 PHE A 27 0.144 -13.085 -10.165 1.00 63.56 C +ATOM 216 CE2 PHE A 27 1.578 -11.232 -9.491 1.00 66.86 C +ATOM 217 CZ PHE A 27 0.480 -11.721 -10.211 1.00 66.56 C +ATOM 218 N GLY A 28 3.246 -15.905 -4.701 1.00 80.31 N +ATOM 219 CA GLY A 28 4.252 -16.696 -4.007 1.00 80.87 C +ATOM 220 C GLY A 28 4.227 -16.616 -2.498 1.00 82.31 C +ATOM 221 O GLY A 28 3.362 -16.015 -1.881 1.00 80.25 O +ATOM 222 N LYS A 29 5.213 -17.246 -1.920 1.00 87.40 N +ATOM 223 CA LYS A 29 5.438 -17.342 -0.491 1.00 87.97 C +ATOM 224 C LYS A 29 6.661 -16.519 -0.094 1.00 88.69 C +ATOM 225 O LYS A 29 7.683 -16.610 -0.765 1.00 86.82 O +ATOM 226 CB LYS A 29 5.594 -18.813 -0.133 1.00 85.63 C +ATOM 227 CG LYS A 29 5.555 -19.033 1.373 1.00 78.10 C +ATOM 228 CD LYS A 29 5.663 -20.530 1.699 1.00 72.99 C +ATOM 229 CE LYS A 29 5.315 -20.720 3.154 1.00 67.13 C +ATOM 230 NZ LYS A 29 5.482 -22.129 3.599 1.00 61.58 N1+ +ATOM 231 N VAL A 30 6.572 -15.763 0.988 1.00 91.52 N +ATOM 232 CA VAL A 30 7.688 -15.026 1.571 1.00 91.74 C +ATOM 233 C VAL A 30 8.192 -15.757 2.806 1.00 91.82 C +ATOM 234 O VAL A 30 7.425 -16.121 3.684 1.00 91.22 O +ATOM 235 CB VAL A 30 7.310 -13.574 1.888 1.00 91.24 C +ATOM 236 CG1 VAL A 30 6.723 -12.867 0.669 1.00 90.26 C +ATOM 237 CG2 VAL A 30 8.538 -12.778 2.344 1.00 90.07 C +ATOM 238 N SER A 31 9.491 -15.953 2.873 1.00 93.32 N +ATOM 239 CA SER A 31 10.153 -16.589 3.994 1.00 93.31 C +ATOM 240 C SER A 31 11.333 -15.767 4.476 1.00 93.51 C +ATOM 241 O SER A 31 12.018 -15.126 3.687 1.00 92.77 O +ATOM 242 CB SER A 31 10.612 -18.006 3.622 1.00 92.62 C +ATOM 243 OG SER A 31 9.530 -18.815 3.165 1.00 89.85 O +ATOM 244 N LEU A 32 11.613 -15.805 5.758 1.00 93.39 N +ATOM 245 CA LEU A 32 12.828 -15.280 6.346 1.00 93.54 C +ATOM 246 C LEU A 32 13.983 -16.243 6.115 1.00 93.56 C +ATOM 247 O LEU A 32 13.875 -17.429 6.452 1.00 93.08 O +ATOM 248 CB LEU A 32 12.588 -15.011 7.839 1.00 93.39 C +ATOM 249 CG LEU A 32 13.823 -14.494 8.612 1.00 92.69 C +ATOM 250 CD1 LEU A 32 13.466 -14.355 10.087 1.00 92.03 C +ATOM 251 CD2 LEU A 32 14.272 -13.118 8.117 1.00 91.87 C +ATOM 252 N TYR A 33 15.076 -15.716 5.623 1.00 93.78 N +ATOM 253 CA TYR A 33 16.333 -16.424 5.483 1.00 93.75 C +ATOM 254 C TYR A 33 17.451 -15.633 6.128 1.00 93.83 C +ATOM 255 O TYR A 33 17.446 -14.426 6.182 1.00 93.38 O +ATOM 256 CB TYR A 33 16.647 -16.670 4.012 1.00 93.39 C +ATOM 257 CG TYR A 33 15.818 -17.754 3.345 1.00 93.05 C +ATOM 258 CD1 TYR A 33 16.408 -18.997 3.047 1.00 91.83 C +ATOM 259 CD2 TYR A 33 14.478 -17.527 2.986 1.00 91.63 C +ATOM 260 CE1 TYR A 33 15.654 -20.008 2.410 1.00 90.74 C +ATOM 261 CE2 TYR A 33 13.722 -18.524 2.343 1.00 90.72 C +ATOM 262 CZ TYR A 33 14.312 -19.763 2.062 1.00 90.95 C +ATOM 263 OH TYR A 33 13.592 -20.766 1.423 1.00 89.92 O +ATOM 264 N CYS A 34 18.491 -16.340 6.574 1.00 93.35 N +ATOM 265 CA CYS A 34 19.802 -15.784 6.802 1.00 93.38 C +ATOM 266 C CYS A 34 20.662 -16.035 5.553 1.00 93.49 C +ATOM 267 O CYS A 34 20.780 -17.187 5.130 1.00 92.50 O +ATOM 268 CB CYS A 34 20.406 -16.456 8.043 1.00 92.22 C +ATOM 269 SG CYS A 34 22.023 -15.759 8.436 1.00 88.14 S +ATOM 270 N TYR A 35 21.229 -14.993 4.995 1.00 91.95 N +ATOM 271 CA TYR A 35 22.194 -15.089 3.917 1.00 91.92 C +ATOM 272 C TYR A 35 23.599 -14.950 4.482 1.00 91.53 C +ATOM 273 O TYR A 35 24.017 -13.867 4.890 1.00 90.76 O +ATOM 274 CB TYR A 35 21.923 -14.037 2.858 1.00 92.10 C +ATOM 275 CG TYR A 35 22.796 -14.218 1.627 1.00 93.01 C +ATOM 276 CD1 TYR A 35 22.609 -15.342 0.806 1.00 92.34 C +ATOM 277 CD2 TYR A 35 23.810 -13.300 1.314 1.00 92.43 C +ATOM 278 CE1 TYR A 35 23.415 -15.551 -0.326 1.00 91.97 C +ATOM 279 CE2 TYR A 35 24.642 -13.504 0.168 1.00 92.04 C +ATOM 280 CZ TYR A 35 24.419 -14.632 -0.638 1.00 92.21 C +ATOM 281 OH TYR A 35 25.201 -14.817 -1.771 1.00 91.12 O +ATOM 282 N ASP A 36 24.329 -16.012 4.508 1.00 88.91 N +ATOM 283 CA ASP A 36 25.636 -16.109 5.155 1.00 89.12 C +ATOM 284 C ASP A 36 26.712 -16.646 4.184 1.00 88.86 C +ATOM 285 O ASP A 36 27.033 -17.846 4.176 1.00 87.64 O +ATOM 286 CB ASP A 36 25.481 -16.978 6.411 1.00 88.42 C +ATOM 287 CG ASP A 36 26.715 -16.999 7.286 1.00 89.22 C +ATOM 288 OD1 ASP A 36 27.666 -16.229 7.035 1.00 85.30 O +ATOM 289 OD2 ASP A 36 26.705 -17.827 8.237 1.00 84.51 O +ATOM 290 N PRO A 37 27.262 -15.786 3.313 1.00 87.88 N +ATOM 291 CA PRO A 37 28.244 -16.219 2.315 1.00 87.35 C +ATOM 292 C PRO A 37 29.607 -16.578 2.901 1.00 87.20 C +ATOM 293 O PRO A 37 30.339 -17.343 2.277 1.00 84.39 O +ATOM 294 CB PRO A 37 28.326 -15.036 1.341 1.00 85.60 C +ATOM 295 CG PRO A 37 27.962 -13.836 2.217 1.00 84.35 C +ATOM 296 CD PRO A 37 26.914 -14.382 3.142 1.00 86.73 C +ATOM 297 N THR A 38 29.942 -16.055 4.065 1.00 85.68 N +ATOM 298 CA THR A 38 31.202 -16.395 4.773 1.00 85.08 C +ATOM 299 C THR A 38 31.058 -17.637 5.624 1.00 84.90 C +ATOM 300 O THR A 38 32.085 -18.256 5.956 1.00 82.07 O +ATOM 301 CB THR A 38 31.660 -15.215 5.629 1.00 82.83 C +ATOM 302 OG1 THR A 38 30.631 -14.744 6.459 1.00 77.82 O +ATOM 303 CG2 THR A 38 32.099 -14.040 4.750 1.00 78.25 C +ATOM 304 N ASN A 39 29.858 -18.047 5.918 1.00 82.20 N +ATOM 305 CA ASN A 39 29.513 -19.218 6.715 1.00 81.79 C +ATOM 306 C ASN A 39 30.072 -19.178 8.142 1.00 81.99 C +ATOM 307 O ASN A 39 30.396 -20.196 8.726 1.00 78.80 O +ATOM 308 CB ASN A 39 29.850 -20.476 5.898 1.00 78.99 C +ATOM 309 CG ASN A 39 28.896 -21.634 6.094 1.00 76.90 C +ATOM 310 OD1 ASN A 39 27.808 -21.544 6.630 1.00 68.82 O +ATOM 311 ND2 ASN A 39 29.306 -22.791 5.613 1.00 68.33 N +ATOM 312 N ASP A 40 30.185 -17.976 8.698 1.00 81.17 N +ATOM 313 CA ASP A 40 30.724 -17.684 10.017 1.00 80.59 C +ATOM 314 C ASP A 40 29.645 -17.298 11.054 1.00 81.05 C +ATOM 315 O ASP A 40 29.965 -17.023 12.221 1.00 77.36 O +ATOM 316 CB ASP A 40 31.779 -16.591 9.870 1.00 78.50 C +ATOM 317 CG ASP A 40 31.232 -15.229 9.401 1.00 78.53 C +ATOM 318 OD1 ASP A 40 29.995 -15.065 9.259 1.00 72.16 O +ATOM 319 OD2 ASP A 40 32.082 -14.315 9.178 1.00 72.97 O +ATOM 320 N GLY A 41 28.380 -17.305 10.660 1.00 79.79 N +ATOM 321 CA GLY A 41 27.257 -16.963 11.516 1.00 79.79 C +ATOM 322 C GLY A 41 26.926 -15.464 11.559 1.00 81.48 C +ATOM 323 O GLY A 41 25.992 -15.078 12.256 1.00 78.66 O +ATOM 324 N THR A 42 27.623 -14.630 10.791 1.00 83.28 N +ATOM 325 CA THR A 42 27.395 -13.181 10.701 1.00 83.32 C +ATOM 326 C THR A 42 26.448 -12.797 9.570 1.00 83.95 C +ATOM 327 O THR A 42 26.397 -11.635 9.143 1.00 80.43 O +ATOM 328 CB THR A 42 28.688 -12.383 10.598 1.00 81.09 C +ATOM 329 OG1 THR A 42 29.364 -12.654 9.387 1.00 76.71 O +ATOM 330 CG2 THR A 42 29.650 -12.672 11.762 1.00 76.44 C +ATOM 331 N GLY A 43 25.728 -13.750 9.025 1.00 87.18 N +ATOM 332 CA GLY A 43 24.866 -13.548 7.873 1.00 87.46 C +ATOM 333 C GLY A 43 23.759 -12.520 8.046 1.00 88.47 C +ATOM 334 O GLY A 43 23.253 -12.249 9.132 1.00 86.54 O +ATOM 335 N GLU A 44 23.345 -11.954 6.943 1.00 90.45 N +ATOM 336 CA GLU A 44 22.298 -10.942 6.887 1.00 90.97 C +ATOM 337 C GLU A 44 20.910 -11.580 6.846 1.00 91.90 C +ATOM 338 O GLU A 44 20.679 -12.517 6.075 1.00 90.18 O +ATOM 339 CB GLU A 44 22.544 -10.053 5.665 1.00 88.72 C +ATOM 340 CG GLU A 44 21.532 -8.912 5.589 1.00 77.72 C +ATOM 341 CD GLU A 44 21.695 -7.990 4.381 1.00 73.42 C +ATOM 342 OE1 GLU A 44 21.014 -6.946 4.363 1.00 63.35 O +ATOM 343 OE2 GLU A 44 22.468 -8.285 3.443 1.00 59.93 O +ATOM 344 N MET A 45 19.970 -11.046 7.583 1.00 93.84 N +ATOM 345 CA MET A 45 18.564 -11.442 7.471 1.00 94.05 C +ATOM 346 C MET A 45 17.948 -10.837 6.223 1.00 94.51 C +ATOM 347 O MET A 45 17.994 -9.636 5.998 1.00 93.72 O +ATOM 348 CB MET A 45 17.786 -11.022 8.719 1.00 93.07 C +ATOM 349 CG MET A 45 18.282 -11.734 9.976 1.00 89.25 C +ATOM 350 SD MET A 45 18.095 -13.534 9.917 1.00 88.04 S +ATOM 351 CE MET A 45 19.119 -13.972 11.337 1.00 80.79 C +ATOM 352 N VAL A 46 17.306 -11.668 5.420 1.00 94.98 N +ATOM 353 CA VAL A 46 16.636 -11.270 4.194 1.00 95.05 C +ATOM 354 C VAL A 46 15.258 -11.905 4.101 1.00 95.13 C +ATOM 355 O VAL A 46 15.018 -13.009 4.573 1.00 94.83 O +ATOM 356 CB VAL A 46 17.471 -11.593 2.944 1.00 94.93 C +ATOM 357 CG1 VAL A 46 18.768 -10.784 2.929 1.00 94.51 C +ATOM 358 CG2 VAL A 46 17.806 -13.070 2.801 1.00 94.44 C +ATOM 359 N ALA A 47 14.334 -11.217 3.455 1.00 94.88 N +ATOM 360 CA ALA A 47 13.048 -11.776 3.071 1.00 94.75 C +ATOM 361 C ALA A 47 13.147 -12.297 1.639 1.00 94.81 C +ATOM 362 O ALA A 47 13.511 -11.579 0.724 1.00 94.62 O +ATOM 363 CB ALA A 47 11.960 -10.733 3.254 1.00 94.60 C +ATOM 364 N VAL A 48 12.793 -13.535 1.434 1.00 94.61 N +ATOM 365 CA VAL A 48 12.851 -14.180 0.127 1.00 94.57 C +ATOM 366 C VAL A 48 11.441 -14.550 -0.309 1.00 94.37 C +ATOM 367 O VAL A 48 10.781 -15.348 0.346 1.00 94.02 O +ATOM 368 CB VAL A 48 13.764 -15.405 0.143 1.00 94.54 C +ATOM 369 CG1 VAL A 48 15.176 -15.037 0.613 1.00 94.11 C +ATOM 370 CG2 VAL A 48 13.878 -16.022 -1.254 1.00 94.15 C +ATOM 371 N LYS A 49 11.008 -13.990 -1.422 1.00 92.23 N +ATOM 372 CA LYS A 49 9.747 -14.347 -2.061 1.00 92.01 C +ATOM 373 C LYS A 49 9.997 -15.320 -3.194 1.00 91.86 C +ATOM 374 O LYS A 49 10.780 -15.050 -4.106 1.00 91.36 O +ATOM 375 CB LYS A 49 8.993 -13.077 -2.500 1.00 91.55 C +ATOM 376 CG LYS A 49 7.546 -13.344 -2.949 1.00 90.44 C +ATOM 377 CD LYS A 49 6.824 -12.010 -3.231 1.00 89.14 C +ATOM 378 CE LYS A 49 5.357 -12.223 -3.629 1.00 87.08 C +ATOM 379 NZ LYS A 49 4.670 -10.938 -3.954 1.00 83.59 N1+ +ATOM 380 N ALA A 50 9.354 -16.448 -3.144 1.00 91.12 N +ATOM 381 CA ALA A 50 9.449 -17.511 -4.131 1.00 90.83 C +ATOM 382 C ALA A 50 8.100 -17.715 -4.831 1.00 90.65 C +ATOM 383 O ALA A 50 7.059 -17.795 -4.181 1.00 89.20 O +ATOM 384 CB ALA A 50 9.924 -18.781 -3.433 1.00 89.83 C +ATOM 385 N LEU A 51 8.129 -17.849 -6.130 1.00 82.50 N +ATOM 386 CA LEU A 51 6.960 -18.239 -6.916 1.00 82.52 C +ATOM 387 C LEU A 51 6.610 -19.703 -6.616 1.00 81.73 C +ATOM 388 O LEU A 51 7.504 -20.558 -6.497 1.00 80.09 O +ATOM 389 CB LEU A 51 7.273 -18.031 -8.405 1.00 81.26 C +ATOM 390 CG LEU A 51 6.067 -18.244 -9.339 1.00 78.95 C +ATOM 391 CD1 LEU A 51 6.520 -18.192 -10.790 1.00 77.84 C +ATOM 392 CD2 LEU A 51 5.008 -17.160 -9.143 1.00 77.07 C +ATOM 393 N LYS A 52 5.325 -19.998 -6.539 1.00 79.72 N +ATOM 394 CA LYS A 52 4.860 -21.385 -6.368 1.00 78.69 C +ATOM 395 C LYS A 52 5.296 -22.250 -7.551 1.00 78.38 C +ATOM 396 O LYS A 52 5.277 -21.808 -8.687 1.00 76.06 O +ATOM 397 CB LYS A 52 3.335 -21.407 -6.194 1.00 75.70 C +ATOM 398 CG LYS A 52 2.910 -20.697 -4.894 1.00 71.27 C +ATOM 399 CD LYS A 52 1.384 -20.733 -4.703 1.00 67.04 C +ATOM 400 CE LYS A 52 1.035 -20.005 -3.410 1.00 60.21 C +ATOM 401 NZ LYS A 52 -0.425 -20.020 -3.112 1.00 55.14 N1+ +ATOM 402 N ALA A 53 5.689 -23.460 -7.281 1.00 79.58 N +ATOM 403 CA ALA A 53 6.256 -24.359 -8.292 1.00 79.12 C +ATOM 404 C ALA A 53 5.271 -24.736 -9.424 1.00 79.11 C +ATOM 405 O ALA A 53 5.699 -24.894 -10.575 1.00 76.32 O +ATOM 406 CB ALA A 53 6.765 -25.612 -7.565 1.00 77.35 C +ATOM 407 N ASP A 54 4.027 -24.810 -9.108 1.00 78.41 N +ATOM 408 CA ASP A 54 2.915 -25.124 -10.006 1.00 78.55 C +ATOM 409 C ASP A 54 2.331 -23.884 -10.707 1.00 79.46 C +ATOM 410 O ASP A 54 1.333 -23.987 -11.422 1.00 76.32 O +ATOM 411 CB ASP A 54 1.844 -25.864 -9.200 1.00 76.19 C +ATOM 412 CG ASP A 54 1.231 -25.063 -8.043 1.00 75.34 C +ATOM 413 OD1 ASP A 54 1.913 -24.155 -7.512 1.00 67.05 O +ATOM 414 OD2 ASP A 54 0.075 -25.395 -7.651 1.00 67.45 O +ATOM 415 N ALA A 55 2.937 -22.721 -10.537 1.00 78.92 N +ATOM 416 CA ALA A 55 2.479 -21.482 -11.152 1.00 79.93 C +ATOM 417 C ALA A 55 2.513 -21.564 -12.684 1.00 80.64 C +ATOM 418 O ALA A 55 3.547 -21.860 -13.296 1.00 76.79 O +ATOM 419 CB ALA A 55 3.293 -20.313 -10.625 1.00 76.80 C +ATOM 420 N GLY A 56 1.394 -21.249 -13.293 1.00 78.07 N +ATOM 421 CA GLY A 56 1.262 -21.225 -14.742 1.00 78.18 C +ATOM 422 C GLY A 56 2.036 -20.117 -15.429 1.00 79.56 C +ATOM 423 O GLY A 56 2.557 -19.204 -14.753 1.00 78.37 O +ATOM 424 N PRO A 57 2.113 -20.123 -16.751 1.00 82.01 N +ATOM 425 CA PRO A 57 2.886 -19.139 -17.518 1.00 81.97 C +ATOM 426 C PRO A 57 2.510 -17.700 -17.235 1.00 82.97 C +ATOM 427 O PRO A 57 3.373 -16.827 -17.181 1.00 81.90 O +ATOM 428 CB PRO A 57 2.624 -19.485 -18.987 1.00 79.85 C +ATOM 429 CG PRO A 57 2.290 -20.982 -18.954 1.00 79.82 C +ATOM 430 CD PRO A 57 1.572 -21.155 -17.634 1.00 82.46 C +ATOM 431 N GLN A 58 1.248 -17.433 -16.986 1.00 81.25 N +ATOM 432 CA GLN A 58 0.721 -16.100 -16.682 1.00 81.70 C +ATOM 433 C GLN A 58 1.261 -15.568 -15.355 1.00 82.09 C +ATOM 434 O GLN A 58 1.732 -14.432 -15.274 1.00 79.56 O +ATOM 435 CB GLN A 58 -0.788 -16.198 -16.699 1.00 79.18 C +ATOM 436 CG GLN A 58 -1.446 -14.868 -17.036 1.00 74.74 C +ATOM 437 CD GLN A 58 -2.974 -15.051 -17.129 1.00 70.28 C +ATOM 438 OE1 GLN A 58 -3.542 -15.973 -16.588 1.00 59.81 O +ATOM 439 NE2 GLN A 58 -3.638 -14.165 -17.781 1.00 58.15 N +ATOM 440 N HIS A 59 1.312 -16.402 -14.337 1.00 82.68 N +ATOM 441 CA HIS A 59 1.909 -16.069 -13.044 1.00 83.44 C +ATOM 442 C HIS A 59 3.408 -15.891 -13.148 1.00 84.15 C +ATOM 443 O HIS A 59 3.950 -15.001 -12.499 1.00 82.47 O +ATOM 444 CB HIS A 59 1.565 -17.145 -12.027 1.00 81.65 C +ATOM 445 CG HIS A 59 0.121 -17.164 -11.644 1.00 81.57 C +ATOM 446 ND1 HIS A 59 -0.632 -16.078 -11.271 1.00 70.79 N1+ +ATOM 447 CD2 HIS A 59 -0.703 -18.253 -11.591 1.00 71.54 C +ATOM 448 CE1 HIS A 59 -1.876 -16.493 -10.987 1.00 70.72 C +ATOM 449 NE2 HIS A 59 -1.957 -17.818 -11.178 1.00 72.37 N +ATOM 450 N ARG A 60 4.088 -16.628 -13.979 1.00 81.97 N +ATOM 451 CA ARG A 60 5.521 -16.456 -14.240 1.00 82.53 C +ATOM 452 C ARG A 60 5.832 -15.132 -14.920 1.00 83.15 C +ATOM 453 O ARG A 60 6.826 -14.495 -14.560 1.00 83.27 O +ATOM 454 CB ARG A 60 6.056 -17.622 -15.085 1.00 81.89 C +ATOM 455 CG ARG A 60 6.022 -18.936 -14.315 1.00 79.28 C +ATOM 456 CD ARG A 60 6.533 -20.084 -15.200 1.00 80.15 C +ATOM 457 NE ARG A 60 6.491 -21.362 -14.460 1.00 76.16 N +ATOM 458 CZ ARG A 60 7.423 -21.811 -13.637 1.00 71.39 C +ATOM 459 NH1 ARG A 60 8.548 -21.190 -13.446 1.00 67.05 N +ATOM 460 NH2 ARG A 60 7.229 -22.925 -12.994 1.00 68.59 N1+ +ATOM 461 N SER A 61 4.999 -14.718 -15.825 1.00 81.75 N +ATOM 462 CA SER A 61 5.121 -13.392 -16.460 1.00 81.32 C +ATOM 463 C SER A 61 4.884 -12.266 -15.448 1.00 82.08 C +ATOM 464 O SER A 61 5.713 -11.365 -15.332 1.00 79.08 O +ATOM 465 CB SER A 61 4.158 -13.281 -17.628 1.00 78.43 C +ATOM 466 OG SER A 61 4.383 -12.073 -18.334 1.00 70.46 O +ATOM 467 N GLY A 62 3.834 -12.363 -14.681 1.00 84.05 N +ATOM 468 CA GLY A 62 3.555 -11.410 -13.586 1.00 84.40 C +ATOM 469 C GLY A 62 4.670 -11.349 -12.553 1.00 85.74 C +ATOM 470 O GLY A 62 5.043 -10.270 -12.105 1.00 83.76 O +ATOM 471 N TRP A 63 5.263 -12.482 -12.241 1.00 88.07 N +ATOM 472 CA TRP A 63 6.382 -12.577 -11.310 1.00 89.26 C +ATOM 473 C TRP A 63 7.637 -11.858 -11.814 1.00 90.37 C +ATOM 474 O TRP A 63 8.255 -11.106 -11.044 1.00 90.58 O +ATOM 475 CB TRP A 63 6.698 -14.057 -11.075 1.00 88.76 C +ATOM 476 CG TRP A 63 7.842 -14.306 -10.164 1.00 89.39 C +ATOM 477 CD1 TRP A 63 8.910 -15.081 -10.423 1.00 86.57 C +ATOM 478 CD2 TRP A 63 8.039 -13.770 -8.813 1.00 87.88 C +ATOM 479 NE1 TRP A 63 9.771 -15.090 -9.327 1.00 84.80 N +ATOM 480 CE2 TRP A 63 9.267 -14.287 -8.330 1.00 86.33 C +ATOM 481 CE3 TRP A 63 7.300 -12.910 -7.992 1.00 85.38 C +ATOM 482 CZ2 TRP A 63 9.737 -13.948 -7.027 1.00 82.85 C +ATOM 483 CZ3 TRP A 63 7.766 -12.573 -6.729 1.00 77.40 C +ATOM 484 CH2 TRP A 63 8.976 -13.085 -6.243 1.00 77.74 C +ATOM 485 N LYS A 64 7.991 -12.027 -13.062 1.00 87.91 N +ATOM 486 CA LYS A 64 9.098 -11.274 -13.670 1.00 88.03 C +ATOM 487 C LYS A 64 8.840 -9.774 -13.628 1.00 88.72 C +ATOM 488 O LYS A 64 9.734 -9.030 -13.251 1.00 86.88 O +ATOM 489 CB LYS A 64 9.348 -11.716 -15.135 1.00 85.63 C +ATOM 490 CG LYS A 64 10.142 -13.017 -15.188 1.00 76.20 C +ATOM 491 CD LYS A 64 10.488 -13.337 -16.655 1.00 71.46 C +ATOM 492 CE LYS A 64 11.397 -14.550 -16.735 1.00 63.22 C +ATOM 493 NZ LYS A 64 11.787 -14.842 -18.152 1.00 55.46 N1+ +ATOM 494 N GLN A 65 7.631 -9.356 -13.929 1.00 89.51 N +ATOM 495 CA GLN A 65 7.266 -7.939 -13.848 1.00 90.05 C +ATOM 496 C GLN A 65 7.392 -7.395 -12.433 1.00 91.04 C +ATOM 497 O GLN A 65 7.891 -6.293 -12.264 1.00 90.54 O +ATOM 498 CB GLN A 65 5.852 -7.721 -14.372 1.00 88.44 C +ATOM 499 CG GLN A 65 5.749 -7.915 -15.889 1.00 80.93 C +ATOM 500 CD GLN A 65 4.327 -7.698 -16.422 1.00 78.41 C +ATOM 501 OE1 GLN A 65 3.343 -7.665 -15.701 1.00 68.28 O +ATOM 502 NE2 GLN A 65 4.208 -7.530 -17.706 1.00 67.55 N +ATOM 503 N GLU A 66 6.988 -8.136 -11.425 1.00 90.45 N +ATOM 504 CA GLU A 66 7.162 -7.728 -10.024 1.00 90.97 C +ATOM 505 C GLU A 66 8.639 -7.512 -9.681 1.00 91.44 C +ATOM 506 O GLU A 66 8.980 -6.490 -9.085 1.00 89.87 O +ATOM 507 CB GLU A 66 6.515 -8.771 -9.088 1.00 89.04 C +ATOM 508 CG GLU A 66 6.650 -8.388 -7.606 1.00 82.46 C +ATOM 509 CD GLU A 66 5.975 -9.346 -6.621 1.00 82.12 C +ATOM 510 OE1 GLU A 66 6.071 -9.109 -5.410 1.00 67.86 O +ATOM 511 OE2 GLU A 66 5.327 -10.334 -7.039 1.00 65.67 O +ATOM 512 N ILE A 67 9.478 -8.423 -10.077 1.00 93.73 N +ATOM 513 CA ILE A 67 10.927 -8.306 -9.864 1.00 94.00 C +ATOM 514 C ILE A 67 11.498 -7.095 -10.603 1.00 93.98 C +ATOM 515 O ILE A 67 12.242 -6.324 -9.998 1.00 93.65 O +ATOM 516 CB ILE A 67 11.646 -9.604 -10.292 1.00 93.95 C +ATOM 517 CG1 ILE A 67 11.247 -10.755 -9.355 1.00 93.30 C +ATOM 518 CG2 ILE A 67 13.168 -9.415 -10.265 1.00 93.27 C +ATOM 519 CD1 ILE A 67 11.734 -12.138 -9.825 1.00 91.09 C +ATOM 520 N ASP A 68 11.127 -6.916 -11.852 1.00 93.78 N +ATOM 521 CA ASP A 68 11.622 -5.817 -12.675 1.00 93.69 C +ATOM 522 C ASP A 68 11.188 -4.457 -12.123 1.00 93.94 C +ATOM 523 O ASP A 68 12.017 -3.556 -12.022 1.00 93.02 O +ATOM 524 CB ASP A 68 11.162 -5.995 -14.122 1.00 92.90 C +ATOM 525 CG ASP A 68 11.873 -7.146 -14.863 1.00 90.07 C +ATOM 526 OD1 ASP A 68 12.997 -7.510 -14.453 1.00 85.29 O +ATOM 527 OD2 ASP A 68 11.288 -7.624 -15.861 1.00 83.13 O +ATOM 528 N ILE A 69 9.944 -4.339 -11.678 1.00 94.42 N +ATOM 529 CA ILE A 69 9.451 -3.127 -11.025 1.00 94.50 C +ATOM 530 C ILE A 69 10.265 -2.861 -9.764 1.00 94.61 C +ATOM 531 O ILE A 69 10.912 -1.820 -9.668 1.00 94.35 O +ATOM 532 CB ILE A 69 7.937 -3.216 -10.742 1.00 94.55 C +ATOM 533 CG1 ILE A 69 7.160 -3.133 -12.068 1.00 94.03 C +ATOM 534 CG2 ILE A 69 7.474 -2.089 -9.794 1.00 94.15 C +ATOM 535 CD1 ILE A 69 5.680 -3.523 -11.956 1.00 92.07 C +ATOM 536 N LEU A 70 10.299 -3.791 -8.830 1.00 95.53 N +ATOM 537 CA LEU A 70 10.960 -3.573 -7.546 1.00 95.49 C +ATOM 538 C LEU A 70 12.453 -3.262 -7.692 1.00 95.51 C +ATOM 539 O LEU A 70 12.988 -2.442 -6.950 1.00 94.98 O +ATOM 540 CB LEU A 70 10.711 -4.785 -6.632 1.00 95.15 C +ATOM 541 CG LEU A 70 11.165 -4.550 -5.177 1.00 93.96 C +ATOM 542 CD1 LEU A 70 10.983 -5.817 -4.356 1.00 92.70 C +ATOM 543 CD2 LEU A 70 10.359 -3.448 -4.497 1.00 92.05 C +ATOM 544 N ARG A 71 13.103 -3.835 -8.685 1.00 95.14 N +ATOM 545 CA ARG A 71 14.508 -3.549 -9.015 1.00 94.99 C +ATOM 546 C ARG A 71 14.748 -2.074 -9.346 1.00 95.24 C +ATOM 547 O ARG A 71 15.850 -1.589 -9.108 1.00 94.35 O +ATOM 548 CB ARG A 71 14.929 -4.484 -10.162 1.00 93.82 C +ATOM 549 CG ARG A 71 16.375 -4.256 -10.617 1.00 87.34 C +ATOM 550 CD ARG A 71 16.756 -5.200 -11.763 1.00 83.82 C +ATOM 551 NE ARG A 71 17.155 -6.519 -11.247 1.00 78.91 N +ATOM 552 CZ ARG A 71 17.491 -7.574 -11.958 1.00 75.64 C +ATOM 553 NH1 ARG A 71 17.436 -7.562 -13.263 1.00 69.51 N +ATOM 554 NH2 ARG A 71 17.907 -8.661 -11.404 1.00 68.73 N1+ +ATOM 555 N THR A 72 13.775 -1.397 -9.916 1.00 94.16 N +ATOM 556 CA THR A 72 13.906 0.010 -10.326 1.00 93.81 C +ATOM 557 C THR A 72 13.609 1.005 -9.210 1.00 94.03 C +ATOM 558 O THR A 72 13.885 2.194 -9.369 1.00 92.76 O +ATOM 559 CB THR A 72 13.030 0.340 -11.543 1.00 92.31 C +ATOM 560 OG1 THR A 72 11.661 0.309 -11.269 1.00 85.02 O +ATOM 561 CG2 THR A 72 13.307 -0.579 -12.730 1.00 83.58 C +ATOM 562 N LEU A 73 13.045 0.564 -8.101 1.00 95.21 N +ATOM 563 CA LEU A 73 12.547 1.437 -7.057 1.00 95.21 C +ATOM 564 C LEU A 73 13.588 1.647 -5.946 1.00 95.20 C +ATOM 565 O LEU A 73 14.100 0.692 -5.359 1.00 94.80 O +ATOM 566 CB LEU A 73 11.236 0.872 -6.489 1.00 95.25 C +ATOM 567 CG LEU A 73 10.090 0.722 -7.516 1.00 95.05 C +ATOM 568 CD1 LEU A 73 8.870 0.125 -6.823 1.00 94.68 C +ATOM 569 CD2 LEU A 73 9.696 2.048 -8.153 1.00 94.41 C +ATOM 570 N TYR A 74 13.839 2.910 -5.630 1.00 95.65 N +ATOM 571 CA TYR A 74 14.733 3.317 -4.553 1.00 95.22 C +ATOM 572 C TYR A 74 14.119 4.468 -3.760 1.00 95.42 C +ATOM 573 O TYR A 74 14.246 5.630 -4.120 1.00 94.24 O +ATOM 574 CB TYR A 74 16.091 3.736 -5.126 1.00 93.77 C +ATOM 575 CG TYR A 74 16.860 2.597 -5.745 1.00 86.96 C +ATOM 576 CD1 TYR A 74 17.720 1.802 -4.956 1.00 81.06 C +ATOM 577 CD2 TYR A 74 16.741 2.323 -7.120 1.00 77.77 C +ATOM 578 CE1 TYR A 74 18.428 0.736 -5.530 1.00 72.05 C +ATOM 579 CE2 TYR A 74 17.445 1.264 -7.699 1.00 69.00 C +ATOM 580 CZ TYR A 74 18.277 0.476 -6.895 1.00 67.36 C +ATOM 581 OH TYR A 74 18.965 -0.575 -7.468 1.00 65.38 O +ATOM 582 N HIS A 75 13.463 4.127 -2.686 1.00 96.27 N +ATOM 583 CA HIS A 75 12.850 5.103 -1.789 1.00 96.20 C +ATOM 584 C HIS A 75 12.809 4.564 -0.357 1.00 96.28 C +ATOM 585 O HIS A 75 12.617 3.361 -0.165 1.00 95.95 O +ATOM 586 CB HIS A 75 11.458 5.453 -2.313 1.00 96.06 C +ATOM 587 CG HIS A 75 10.860 6.643 -1.626 1.00 95.90 C +ATOM 588 ND1 HIS A 75 10.036 6.613 -0.522 1.00 94.75 N1+ +ATOM 589 CD2 HIS A 75 11.066 7.951 -1.948 1.00 94.59 C +ATOM 590 CE1 HIS A 75 9.761 7.885 -0.190 1.00 94.23 C +ATOM 591 NE2 HIS A 75 10.371 8.723 -1.026 1.00 94.53 N +ATOM 592 N GLU A 76 12.954 5.419 0.632 1.00 96.38 N +ATOM 593 CA GLU A 76 13.019 5.008 2.038 1.00 96.17 C +ATOM 594 C GLU A 76 11.725 4.369 2.544 1.00 96.46 C +ATOM 595 O GLU A 76 11.760 3.541 3.445 1.00 96.01 O +ATOM 596 CB GLU A 76 13.458 6.186 2.909 1.00 95.24 C +ATOM 597 CG GLU A 76 12.465 7.353 2.927 1.00 89.27 C +ATOM 598 CD GLU A 76 12.942 8.536 3.753 1.00 84.76 C +ATOM 599 OE1 GLU A 76 12.660 9.687 3.356 1.00 70.92 O +ATOM 600 OE2 GLU A 76 13.593 8.295 4.800 1.00 67.57 O +ATOM 601 N HIS A 77 10.599 4.690 1.920 1.00 96.60 N +ATOM 602 CA HIS A 77 9.286 4.140 2.242 1.00 96.70 C +ATOM 603 C HIS A 77 8.826 3.028 1.286 1.00 96.85 C +ATOM 604 O HIS A 77 7.654 2.685 1.247 1.00 96.67 O +ATOM 605 CB HIS A 77 8.266 5.273 2.350 1.00 96.57 C +ATOM 606 CG HIS A 77 8.653 6.293 3.375 1.00 96.43 C +ATOM 607 ND1 HIS A 77 9.074 6.008 4.669 1.00 95.66 N1+ +ATOM 608 CD2 HIS A 77 8.712 7.637 3.209 1.00 95.40 C +ATOM 609 CE1 HIS A 77 9.381 7.164 5.255 1.00 94.89 C +ATOM 610 NE2 HIS A 77 9.180 8.186 4.397 1.00 95.13 N +ATOM 611 N ILE A 78 9.727 2.452 0.529 1.00 96.70 N +ATOM 612 CA ILE A 78 9.489 1.259 -0.282 1.00 96.65 C +ATOM 613 C ILE A 78 10.460 0.159 0.151 1.00 96.68 C +ATOM 614 O ILE A 78 11.634 0.415 0.403 1.00 96.38 O +ATOM 615 CB ILE A 78 9.579 1.590 -1.785 1.00 96.48 C +ATOM 616 CG1 ILE A 78 8.407 2.524 -2.162 1.00 95.78 C +ATOM 617 CG2 ILE A 78 9.561 0.324 -2.661 1.00 95.55 C +ATOM 618 CD1 ILE A 78 8.399 2.986 -3.618 1.00 93.65 C +ATOM 619 N ILE A 79 9.972 -1.066 0.219 1.00 96.30 N +ATOM 620 CA ILE A 79 10.821 -2.210 0.547 1.00 96.22 C +ATOM 621 C ILE A 79 11.989 -2.305 -0.436 1.00 96.40 C +ATOM 622 O ILE A 79 11.814 -2.219 -1.649 1.00 95.97 O +ATOM 623 CB ILE A 79 10.001 -3.503 0.632 1.00 95.62 C +ATOM 624 CG1 ILE A 79 10.838 -4.609 1.272 1.00 91.46 C +ATOM 625 CG2 ILE A 79 9.448 -3.942 -0.742 1.00 90.31 C +ATOM 626 CD1 ILE A 79 10.039 -5.856 1.648 1.00 84.52 C +ATOM 627 N LYS A 80 13.175 -2.478 0.083 1.00 95.83 N +ATOM 628 CA LYS A 80 14.393 -2.472 -0.714 1.00 95.62 C +ATOM 629 C LYS A 80 14.592 -3.804 -1.433 1.00 95.94 C +ATOM 630 O LYS A 80 14.678 -4.857 -0.803 1.00 95.51 O +ATOM 631 CB LYS A 80 15.588 -2.101 0.183 1.00 94.68 C +ATOM 632 CG LYS A 80 16.876 -1.940 -0.617 1.00 88.58 C +ATOM 633 CD LYS A 80 18.017 -1.488 0.296 1.00 83.90 C +ATOM 634 CE LYS A 80 19.296 -1.338 -0.514 1.00 76.50 C +ATOM 635 NZ LYS A 80 20.392 -0.823 0.327 1.00 69.29 N1+ +ATOM 636 N TYR A 81 14.742 -3.737 -2.751 1.00 95.35 N +ATOM 637 CA TYR A 81 15.276 -4.841 -3.539 1.00 95.43 C +ATOM 638 C TYR A 81 16.743 -5.080 -3.167 1.00 95.39 C +ATOM 639 O TYR A 81 17.523 -4.139 -3.082 1.00 95.00 O +ATOM 640 CB TYR A 81 15.149 -4.496 -5.018 1.00 95.40 C +ATOM 641 CG TYR A 81 15.783 -5.508 -5.943 1.00 95.46 C +ATOM 642 CD1 TYR A 81 15.081 -6.672 -6.298 1.00 95.03 C +ATOM 643 CD2 TYR A 81 17.077 -5.289 -6.451 1.00 95.08 C +ATOM 644 CE1 TYR A 81 15.652 -7.607 -7.171 1.00 94.56 C +ATOM 645 CE2 TYR A 81 17.660 -6.223 -7.322 1.00 94.55 C +ATOM 646 CZ TYR A 81 16.943 -7.370 -7.691 1.00 94.68 C +ATOM 647 OH TYR A 81 17.501 -8.271 -8.565 1.00 93.92 O +ATOM 648 N LYS A 82 17.098 -6.317 -2.966 1.00 95.47 N +ATOM 649 CA LYS A 82 18.494 -6.724 -2.733 1.00 95.12 C +ATOM 650 C LYS A 82 19.069 -7.531 -3.876 1.00 95.22 C +ATOM 651 O LYS A 82 20.245 -7.389 -4.179 1.00 94.26 O +ATOM 652 CB LYS A 82 18.594 -7.504 -1.422 1.00 94.14 C +ATOM 653 CG LYS A 82 18.382 -6.583 -0.229 1.00 89.63 C +ATOM 654 CD LYS A 82 18.885 -7.234 1.039 1.00 86.76 C +ATOM 655 CE LYS A 82 19.003 -6.180 2.130 1.00 82.20 C +ATOM 656 NZ LYS A 82 20.167 -6.453 3.015 1.00 77.15 N1+ +ATOM 657 N GLY A 83 18.267 -8.333 -4.515 1.00 94.89 N +ATOM 658 CA GLY A 83 18.716 -9.156 -5.623 1.00 94.73 C +ATOM 659 C GLY A 83 17.800 -10.326 -5.913 1.00 94.96 C +ATOM 660 O GLY A 83 16.661 -10.392 -5.478 1.00 94.47 O +ATOM 661 N CYS A 84 18.317 -11.272 -6.648 1.00 92.91 N +ATOM 662 CA CYS A 84 17.655 -12.520 -6.986 1.00 92.82 C +ATOM 663 C CYS A 84 18.517 -13.723 -6.626 1.00 92.77 C +ATOM 664 O CYS A 84 19.752 -13.666 -6.646 1.00 91.55 O +ATOM 665 CB CYS A 84 17.265 -12.512 -8.456 1.00 92.00 C +ATOM 666 SG CYS A 84 15.908 -11.334 -8.742 1.00 89.36 S +ATOM 667 N CYS A 85 17.880 -14.819 -6.384 1.00 91.27 N +ATOM 668 CA CYS A 85 18.510 -16.124 -6.265 1.00 91.03 C +ATOM 669 C CYS A 85 17.912 -17.064 -7.310 1.00 90.79 C +ATOM 670 O CYS A 85 16.700 -17.099 -7.497 1.00 89.06 O +ATOM 671 CB CYS A 85 18.281 -16.651 -4.845 1.00 89.60 C +ATOM 672 SG CYS A 85 19.051 -18.254 -4.616 1.00 85.74 S +ATOM 673 N GLU A 86 18.724 -17.847 -7.962 1.00 88.28 N +ATOM 674 CA GLU A 86 18.249 -18.890 -8.850 1.00 86.96 C +ATOM 675 C GLU A 86 17.509 -19.958 -8.045 1.00 87.08 C +ATOM 676 O GLU A 86 18.035 -20.505 -7.070 1.00 84.02 O +ATOM 677 CB GLU A 86 19.401 -19.523 -9.649 1.00 84.01 C +ATOM 678 CG GLU A 86 19.981 -18.586 -10.670 1.00 77.59 C +ATOM 679 CD GLU A 86 20.987 -19.267 -11.613 1.00 76.30 C +ATOM 680 OE1 GLU A 86 21.346 -18.660 -12.624 1.00 65.23 O +ATOM 681 OE2 GLU A 86 21.394 -20.418 -11.311 1.00 64.35 O +ATOM 682 N ASP A 87 16.323 -20.287 -8.504 1.00 85.28 N +ATOM 683 CA ASP A 87 15.550 -21.391 -7.947 1.00 84.95 C +ATOM 684 C ASP A 87 15.302 -22.448 -9.008 1.00 84.98 C +ATOM 685 O ASP A 87 14.287 -22.455 -9.712 1.00 82.08 O +ATOM 686 CB ASP A 87 14.259 -20.862 -7.335 1.00 82.70 C +ATOM 687 CG ASP A 87 13.485 -21.930 -6.566 1.00 82.72 C +ATOM 688 OD1 ASP A 87 13.919 -23.116 -6.564 1.00 77.38 O +ATOM 689 OD2 ASP A 87 12.453 -21.584 -5.960 1.00 77.63 O +ATOM 690 N ALA A 88 16.257 -23.365 -9.106 1.00 85.62 N +ATOM 691 CA ALA A 88 16.165 -24.489 -10.042 1.00 85.10 C +ATOM 692 C ALA A 88 14.943 -25.381 -9.753 1.00 85.26 C +ATOM 693 O ALA A 88 14.355 -25.935 -10.676 1.00 81.65 O +ATOM 694 CB ALA A 88 17.462 -25.274 -9.963 1.00 83.08 C +ATOM 695 N GLY A 89 14.518 -25.483 -8.508 1.00 83.37 N +ATOM 696 CA GLY A 89 13.380 -26.288 -8.116 1.00 82.78 C +ATOM 697 C GLY A 89 12.051 -25.798 -8.666 1.00 83.75 C +ATOM 698 O GLY A 89 11.213 -26.601 -9.052 1.00 80.74 O +ATOM 699 N ALA A 90 11.899 -24.478 -8.753 1.00 81.98 N +ATOM 700 CA ALA A 90 10.710 -23.851 -9.335 1.00 82.05 C +ATOM 701 C ALA A 90 10.896 -23.404 -10.787 1.00 83.08 C +ATOM 702 O ALA A 90 9.978 -22.825 -11.371 1.00 79.10 O +ATOM 703 CB ALA A 90 10.287 -22.724 -8.432 1.00 78.90 C +ATOM 704 N ALA A 91 12.050 -23.637 -11.388 1.00 82.77 N +ATOM 705 CA ALA A 91 12.426 -23.118 -12.702 1.00 83.20 C +ATOM 706 C ALA A 91 12.178 -21.599 -12.826 1.00 84.85 C +ATOM 707 O ALA A 91 11.676 -21.104 -13.845 1.00 82.49 O +ATOM 708 CB ALA A 91 11.775 -23.951 -13.799 1.00 80.41 C +ATOM 709 N SER A 92 12.498 -20.843 -11.788 1.00 85.68 N +ATOM 710 CA SER A 92 12.272 -19.405 -11.689 1.00 86.13 C +ATOM 711 C SER A 92 13.332 -18.760 -10.805 1.00 87.32 C +ATOM 712 O SER A 92 14.179 -19.409 -10.222 1.00 86.07 O +ATOM 713 CB SER A 92 10.853 -19.149 -11.148 1.00 83.54 C +ATOM 714 OG SER A 92 10.691 -19.581 -9.821 1.00 76.57 O +ATOM 715 N LEU A 93 13.262 -17.445 -10.684 1.00 89.41 N +ATOM 716 CA LEU A 93 14.053 -16.687 -9.718 1.00 90.28 C +ATOM 717 C LEU A 93 13.276 -16.495 -8.414 1.00 90.89 C +ATOM 718 O LEU A 93 12.067 -16.297 -8.426 1.00 89.74 O +ATOM 719 CB LEU A 93 14.462 -15.334 -10.325 1.00 88.69 C +ATOM 720 CG LEU A 93 15.345 -15.451 -11.577 1.00 83.48 C +ATOM 721 CD1 LEU A 93 15.619 -14.052 -12.129 1.00 80.01 C +ATOM 722 CD2 LEU A 93 16.681 -16.123 -11.276 1.00 78.77 C +ATOM 723 N GLN A 94 13.984 -16.501 -7.327 1.00 92.60 N +ATOM 724 CA GLN A 94 13.504 -16.024 -6.033 1.00 92.70 C +ATOM 725 C GLN A 94 13.888 -14.545 -5.882 1.00 93.10 C +ATOM 726 O GLN A 94 15.029 -14.181 -6.139 1.00 92.52 O +ATOM 727 CB GLN A 94 14.090 -16.857 -4.907 1.00 92.14 C +ATOM 728 CG GLN A 94 13.659 -18.322 -5.004 1.00 90.28 C +ATOM 729 CD GLN A 94 14.211 -19.154 -3.846 1.00 89.28 C +ATOM 730 OE1 GLN A 94 15.394 -19.233 -3.620 1.00 83.63 O +ATOM 731 NE2 GLN A 94 13.365 -19.795 -3.079 1.00 81.07 N +ATOM 732 N LEU A 95 12.963 -13.731 -5.439 1.00 94.01 N +ATOM 733 CA LEU A 95 13.202 -12.324 -5.150 1.00 94.21 C +ATOM 734 C LEU A 95 13.729 -12.177 -3.727 1.00 94.34 C +ATOM 735 O LEU A 95 13.059 -12.578 -2.780 1.00 94.04 O +ATOM 736 CB LEU A 95 11.876 -11.573 -5.361 1.00 93.99 C +ATOM 737 CG LEU A 95 11.868 -10.106 -4.886 1.00 93.07 C +ATOM 738 CD1 LEU A 95 10.480 -9.515 -5.131 1.00 92.04 C +ATOM 739 CD2 LEU A 95 12.882 -9.247 -5.628 1.00 91.72 C +ATOM 740 N VAL A 96 14.880 -11.565 -3.566 1.00 95.56 N +ATOM 741 CA VAL A 96 15.488 -11.261 -2.274 1.00 95.62 C +ATOM 742 C VAL A 96 15.290 -9.780 -1.955 1.00 95.61 C +ATOM 743 O VAL A 96 15.681 -8.906 -2.722 1.00 95.26 O +ATOM 744 CB VAL A 96 16.961 -11.652 -2.238 1.00 95.52 C +ATOM 745 CG1 VAL A 96 17.180 -13.108 -2.674 1.00 95.00 C +ATOM 746 CG2 VAL A 96 17.527 -11.504 -0.817 1.00 94.91 C +ATOM 747 N MET A 97 14.691 -9.508 -0.831 1.00 95.75 N +ATOM 748 CA MET A 97 14.380 -8.175 -0.332 1.00 95.64 C +ATOM 749 C MET A 97 14.958 -7.974 1.059 1.00 95.75 C +ATOM 750 O MET A 97 15.296 -8.952 1.743 1.00 95.33 O +ATOM 751 CB MET A 97 12.852 -8.007 -0.270 1.00 94.96 C +ATOM 752 CG MET A 97 12.154 -8.283 -1.602 1.00 91.36 C +ATOM 753 SD MET A 97 10.340 -8.303 -1.517 1.00 89.07 S +ATOM 754 CE MET A 97 10.074 -9.812 -0.585 1.00 78.54 C +ATOM 755 N GLU A 98 15.027 -6.736 1.519 1.00 95.38 N +ATOM 756 CA GLU A 98 15.319 -6.479 2.923 1.00 95.12 C +ATOM 757 C GLU A 98 14.278 -7.140 3.823 1.00 95.22 C +ATOM 758 O GLU A 98 13.091 -7.198 3.492 1.00 94.57 O +ATOM 759 CB GLU A 98 15.467 -4.977 3.200 1.00 94.38 C +ATOM 760 CG GLU A 98 14.132 -4.218 3.162 1.00 91.54 C +ATOM 761 CD GLU A 98 14.297 -2.709 3.410 1.00 90.29 C +ATOM 762 OE1 GLU A 98 13.644 -1.922 2.715 1.00 77.58 O +ATOM 763 OE2 GLU A 98 15.087 -2.300 4.290 1.00 75.52 O +ATOM 764 N TYR A 99 14.720 -7.630 4.947 1.00 95.45 N +ATOM 765 CA TYR A 99 13.827 -8.099 5.987 1.00 95.54 C +ATOM 766 C TYR A 99 13.399 -6.917 6.860 1.00 95.53 C +ATOM 767 O TYR A 99 14.228 -6.247 7.450 1.00 95.16 O +ATOM 768 CB TYR A 99 14.537 -9.173 6.804 1.00 95.46 C +ATOM 769 CG TYR A 99 13.763 -9.575 8.038 1.00 95.59 C +ATOM 770 CD1 TYR A 99 12.492 -10.174 7.922 1.00 95.19 C +ATOM 771 CD2 TYR A 99 14.299 -9.348 9.319 1.00 94.96 C +ATOM 772 CE1 TYR A 99 11.776 -10.547 9.062 1.00 94.44 C +ATOM 773 CE2 TYR A 99 13.600 -9.728 10.478 1.00 94.52 C +ATOM 774 CZ TYR A 99 12.343 -10.327 10.350 1.00 94.57 C +ATOM 775 OH TYR A 99 11.643 -10.709 11.471 1.00 94.00 O +ATOM 776 N VAL A 100 12.109 -6.685 6.955 1.00 95.64 N +ATOM 777 CA VAL A 100 11.533 -5.624 7.790 1.00 95.54 C +ATOM 778 C VAL A 100 11.024 -6.230 9.094 1.00 95.59 C +ATOM 779 O VAL A 100 10.098 -7.045 9.080 1.00 95.30 O +ATOM 780 CB VAL A 100 10.445 -4.861 7.017 1.00 95.27 C +ATOM 781 CG1 VAL A 100 10.967 -4.354 5.676 1.00 94.54 C +ATOM 782 CG2 VAL A 100 10.005 -3.644 7.811 1.00 94.43 C +ATOM 783 N PRO A 101 11.627 -5.898 10.241 1.00 95.63 N +ATOM 784 CA PRO A 101 11.549 -6.755 11.425 1.00 95.40 C +ATOM 785 C PRO A 101 10.221 -6.739 12.177 1.00 95.50 C +ATOM 786 O PRO A 101 9.891 -7.737 12.828 1.00 94.88 O +ATOM 787 CB PRO A 101 12.695 -6.284 12.328 1.00 94.76 C +ATOM 788 CG PRO A 101 12.948 -4.846 11.902 1.00 93.37 C +ATOM 789 CD PRO A 101 12.657 -4.892 10.410 1.00 94.22 C +ATOM 790 N LEU A 102 9.436 -5.671 12.079 1.00 96.00 N +ATOM 791 CA LEU A 102 8.175 -5.556 12.833 1.00 95.97 C +ATOM 792 C LEU A 102 6.944 -6.084 12.081 1.00 96.03 C +ATOM 793 O LEU A 102 5.873 -6.165 12.664 1.00 95.52 O +ATOM 794 CB LEU A 102 7.996 -4.113 13.319 1.00 95.73 C +ATOM 795 CG LEU A 102 9.135 -3.560 14.205 1.00 95.15 C +ATOM 796 CD1 LEU A 102 8.790 -2.154 14.679 1.00 94.56 C +ATOM 797 CD2 LEU A 102 9.377 -4.421 15.438 1.00 94.22 C +ATOM 798 N GLY A 103 7.091 -6.503 10.838 1.00 95.49 N +ATOM 799 CA GLY A 103 6.010 -7.075 10.029 1.00 95.31 C +ATOM 800 C GLY A 103 5.010 -6.038 9.520 1.00 95.58 C +ATOM 801 O GLY A 103 5.283 -4.859 9.498 1.00 95.14 O +ATOM 802 N SER A 104 3.859 -6.496 9.083 1.00 95.36 N +ATOM 803 CA SER A 104 2.837 -5.625 8.500 1.00 95.29 C +ATOM 804 C SER A 104 2.124 -4.780 9.549 1.00 95.53 C +ATOM 805 O SER A 104 1.884 -5.230 10.673 1.00 95.19 O +ATOM 806 CB SER A 104 1.828 -6.434 7.692 1.00 94.69 C +ATOM 807 OG SER A 104 0.992 -7.215 8.530 1.00 92.42 O +ATOM 808 N LEU A 105 1.682 -3.594 9.168 1.00 95.85 N +ATOM 809 CA LEU A 105 0.849 -2.756 10.034 1.00 95.80 C +ATOM 810 C LEU A 105 -0.428 -3.473 10.459 1.00 95.85 C +ATOM 811 O LEU A 105 -0.834 -3.341 11.606 1.00 95.60 O +ATOM 812 CB LEU A 105 0.503 -1.440 9.324 1.00 95.63 C +ATOM 813 CG LEU A 105 1.665 -0.449 9.195 1.00 95.02 C +ATOM 814 CD1 LEU A 105 1.179 0.808 8.467 1.00 94.51 C +ATOM 815 CD2 LEU A 105 2.197 -0.006 10.565 1.00 94.11 C +ATOM 816 N ARG A 106 -1.006 -4.290 9.599 1.00 95.94 N +ATOM 817 CA ARG A 106 -2.203 -5.089 9.920 1.00 95.76 C +ATOM 818 C ARG A 106 -1.987 -6.021 11.105 1.00 95.86 C +ATOM 819 O ARG A 106 -2.904 -6.192 11.898 1.00 95.43 O +ATOM 820 CB ARG A 106 -2.625 -5.900 8.684 1.00 95.19 C +ATOM 821 CG ARG A 106 -3.975 -6.616 8.928 1.00 91.68 C +ATOM 822 CD ARG A 106 -4.302 -7.590 7.795 1.00 88.99 C +ATOM 823 NE ARG A 106 -3.365 -8.713 7.777 1.00 82.87 N +ATOM 824 CZ ARG A 106 -3.301 -9.665 6.858 1.00 81.57 C +ATOM 825 NH1 ARG A 106 -4.138 -9.715 5.870 1.00 77.45 N +ATOM 826 NH2 ARG A 106 -2.374 -10.578 6.927 1.00 78.11 N1+ +ATOM 827 N ASP A 107 -0.806 -6.603 11.211 1.00 95.21 N +ATOM 828 CA ASP A 107 -0.503 -7.554 12.281 1.00 95.09 C +ATOM 829 C ASP A 107 0.098 -6.864 13.511 1.00 95.26 C +ATOM 830 O ASP A 107 -0.003 -7.387 14.628 1.00 94.79 O +ATOM 831 CB ASP A 107 0.447 -8.627 11.742 1.00 94.51 C +ATOM 832 CG ASP A 107 -0.155 -9.450 10.583 1.00 92.43 C +ATOM 833 OD1 ASP A 107 -1.391 -9.670 10.567 1.00 87.88 O +ATOM 834 OD2 ASP A 107 0.635 -9.844 9.696 1.00 84.90 O +ATOM 835 N TYR A 108 0.686 -5.705 13.314 1.00 95.96 N +ATOM 836 CA TYR A 108 1.322 -4.937 14.376 1.00 95.92 C +ATOM 837 C TYR A 108 0.333 -4.103 15.185 1.00 95.95 C +ATOM 838 O TYR A 108 0.343 -4.165 16.413 1.00 95.65 O +ATOM 839 CB TYR A 108 2.408 -4.051 13.745 1.00 95.76 C +ATOM 840 CG TYR A 108 3.256 -3.325 14.770 1.00 95.52 C +ATOM 841 CD1 TYR A 108 4.426 -3.930 15.267 1.00 95.03 C +ATOM 842 CD2 TYR A 108 2.874 -2.055 15.244 1.00 94.82 C +ATOM 843 CE1 TYR A 108 5.203 -3.281 16.223 1.00 94.20 C +ATOM 844 CE2 TYR A 108 3.654 -1.402 16.215 1.00 94.26 C +ATOM 845 CZ TYR A 108 4.813 -2.018 16.706 1.00 94.14 C +ATOM 846 OH TYR A 108 5.582 -1.378 17.661 1.00 93.61 O +ATOM 847 N LEU A 109 -0.508 -3.336 14.532 1.00 95.38 N +ATOM 848 CA LEU A 109 -1.362 -2.334 15.177 1.00 95.33 C +ATOM 849 C LEU A 109 -2.358 -2.917 16.201 1.00 95.25 C +ATOM 850 O LEU A 109 -2.499 -2.321 17.250 1.00 94.92 O +ATOM 851 CB LEU A 109 -2.096 -1.494 14.121 1.00 95.24 C +ATOM 852 CG LEU A 109 -1.200 -0.558 13.300 1.00 94.88 C +ATOM 853 CD1 LEU A 109 -2.054 0.190 12.280 1.00 94.48 C +ATOM 854 CD2 LEU A 109 -0.501 0.481 14.184 1.00 94.16 C +ATOM 855 N PRO A 110 -2.967 -4.090 15.985 1.00 94.85 N +ATOM 856 CA PRO A 110 -3.850 -4.695 16.985 1.00 94.67 C +ATOM 857 C PRO A 110 -3.151 -5.093 18.302 1.00 94.67 C +ATOM 858 O PRO A 110 -3.814 -5.345 19.303 1.00 94.05 O +ATOM 859 CB PRO A 110 -4.460 -5.927 16.317 1.00 94.21 C +ATOM 860 CG PRO A 110 -4.368 -5.609 14.832 1.00 93.49 C +ATOM 861 CD PRO A 110 -3.048 -4.850 14.747 1.00 94.21 C +ATOM 862 N ARG A 111 -1.835 -5.183 18.291 1.00 94.16 N +ATOM 863 CA ARG A 111 -1.011 -5.639 19.408 1.00 93.76 C +ATOM 864 C ARG A 111 -0.248 -4.522 20.108 1.00 93.83 C +ATOM 865 O ARG A 111 0.391 -4.784 21.111 1.00 92.34 O +ATOM 866 CB ARG A 111 -0.049 -6.720 18.925 1.00 92.29 C +ATOM 867 CG ARG A 111 -0.751 -7.901 18.241 1.00 83.37 C +ATOM 868 CD ARG A 111 0.279 -8.906 17.735 1.00 79.43 C +ATOM 869 NE ARG A 111 -0.357 -9.931 16.889 1.00 72.97 N +ATOM 870 CZ ARG A 111 0.266 -10.911 16.260 1.00 67.80 C +ATOM 871 NH1 ARG A 111 1.548 -11.088 16.368 1.00 59.34 N +ATOM 872 NH2 ARG A 111 -0.398 -11.714 15.492 1.00 56.88 N1+ +ATOM 873 N HIS A 112 -0.281 -3.317 19.582 1.00 93.68 N +ATOM 874 CA HIS A 112 0.510 -2.188 20.070 1.00 93.71 C +ATOM 875 C HIS A 112 -0.348 -0.932 20.150 1.00 93.79 C +ATOM 876 O HIS A 112 -0.995 -0.548 19.172 1.00 92.80 O +ATOM 877 CB HIS A 112 1.716 -1.978 19.157 1.00 93.27 C +ATOM 878 CG HIS A 112 2.654 -3.154 19.102 1.00 92.55 C +ATOM 879 ND1 HIS A 112 2.494 -4.264 18.277 1.00 88.61 N1+ +ATOM 880 CD2 HIS A 112 3.782 -3.369 19.845 1.00 87.77 C +ATOM 881 CE1 HIS A 112 3.508 -5.105 18.519 1.00 87.71 C +ATOM 882 NE2 HIS A 112 4.313 -4.610 19.458 1.00 88.74 N +ATOM 883 N SER A 113 -0.300 -0.262 21.265 1.00 92.46 N +ATOM 884 CA SER A 113 -1.044 0.990 21.494 1.00 92.33 C +ATOM 885 C SER A 113 -0.315 2.158 20.824 1.00 92.91 C +ATOM 886 O SER A 113 0.437 2.890 21.484 1.00 91.06 O +ATOM 887 CB SER A 113 -1.238 1.242 22.977 1.00 89.72 C +ATOM 888 OG SER A 113 -1.971 0.183 23.558 1.00 77.65 O +ATOM 889 N ILE A 114 -0.527 2.335 19.540 1.00 93.85 N +ATOM 890 CA ILE A 114 0.048 3.442 18.775 1.00 93.94 C +ATOM 891 C ILE A 114 -0.883 4.652 18.841 1.00 94.25 C +ATOM 892 O ILE A 114 -2.078 4.554 18.586 1.00 93.18 O +ATOM 893 CB ILE A 114 0.330 2.993 17.330 1.00 92.55 C +ATOM 894 CG1 ILE A 114 1.217 1.729 17.270 1.00 85.25 C +ATOM 895 CG2 ILE A 114 0.972 4.116 16.523 1.00 81.31 C +ATOM 896 CD1 ILE A 114 2.570 1.848 17.985 1.00 74.31 C +ATOM 897 N GLY A 115 -0.324 5.796 19.199 1.00 95.11 N +ATOM 898 CA GLY A 115 -1.067 7.055 19.267 1.00 95.03 C +ATOM 899 C GLY A 115 -1.384 7.645 17.896 1.00 95.44 C +ATOM 900 O GLY A 115 -0.726 7.343 16.909 1.00 95.03 O +ATOM 901 N LEU A 116 -2.331 8.547 17.864 1.00 95.33 N +ATOM 902 CA LEU A 116 -2.805 9.191 16.639 1.00 95.43 C +ATOM 903 C LEU A 116 -1.673 9.874 15.857 1.00 95.66 C +ATOM 904 O LEU A 116 -1.581 9.689 14.651 1.00 95.58 O +ATOM 905 CB LEU A 116 -3.899 10.196 17.026 1.00 95.23 C +ATOM 906 CG LEU A 116 -4.435 11.037 15.841 1.00 94.62 C +ATOM 907 CD1 LEU A 116 -5.480 12.010 16.371 1.00 94.01 C +ATOM 908 CD2 LEU A 116 -5.082 10.183 14.758 1.00 93.49 C +ATOM 909 N ALA A 117 -0.798 10.611 16.538 1.00 95.76 N +ATOM 910 CA ALA A 117 0.313 11.273 15.881 1.00 95.77 C +ATOM 911 C ALA A 117 1.202 10.283 15.124 1.00 96.00 C +ATOM 912 O ALA A 117 1.596 10.538 13.988 1.00 95.69 O +ATOM 913 CB ALA A 117 1.114 12.036 16.940 1.00 95.24 C +ATOM 914 N GLN A 118 1.454 9.127 15.699 1.00 96.25 N +ATOM 915 CA GLN A 118 2.266 8.082 15.066 1.00 96.13 C +ATOM 916 C GLN A 118 1.567 7.454 13.860 1.00 96.30 C +ATOM 917 O GLN A 118 2.210 7.207 12.842 1.00 96.05 O +ATOM 918 CB GLN A 118 2.604 7.026 16.121 1.00 95.61 C +ATOM 919 CG GLN A 118 3.752 6.115 15.701 1.00 92.64 C +ATOM 920 CD GLN A 118 5.092 6.848 15.584 1.00 91.16 C +ATOM 921 OE1 GLN A 118 5.309 7.891 16.161 1.00 81.57 O +ATOM 922 NE2 GLN A 118 6.019 6.320 14.844 1.00 78.85 N +ATOM 923 N LEU A 119 0.269 7.236 13.929 1.00 96.27 N +ATOM 924 CA LEU A 119 -0.518 6.745 12.799 1.00 96.37 C +ATOM 925 C LEU A 119 -0.519 7.742 11.637 1.00 96.47 C +ATOM 926 O LEU A 119 -0.397 7.347 10.481 1.00 96.28 O +ATOM 927 CB LEU A 119 -1.957 6.475 13.256 1.00 96.30 C +ATOM 928 CG LEU A 119 -2.118 5.369 14.311 1.00 95.93 C +ATOM 929 CD1 LEU A 119 -3.578 5.300 14.728 1.00 95.49 C +ATOM 930 CD2 LEU A 119 -1.709 3.999 13.778 1.00 95.34 C +ATOM 931 N LEU A 120 -0.612 9.028 11.942 1.00 96.23 N +ATOM 932 CA LEU A 120 -0.538 10.083 10.939 1.00 96.29 C +ATOM 933 C LEU A 120 0.855 10.198 10.313 1.00 96.31 C +ATOM 934 O LEU A 120 0.951 10.449 9.111 1.00 96.08 O +ATOM 935 CB LEU A 120 -0.963 11.407 11.570 1.00 96.22 C +ATOM 936 CG LEU A 120 -2.444 11.451 11.992 1.00 95.91 C +ATOM 937 CD1 LEU A 120 -2.669 12.713 12.808 1.00 95.57 C +ATOM 938 CD2 LEU A 120 -3.397 11.476 10.795 1.00 95.35 C +ATOM 939 N LEU A 121 1.903 9.956 11.082 1.00 96.39 N +ATOM 940 CA LEU A 121 3.255 9.847 10.539 1.00 96.38 C +ATOM 941 C LEU A 121 3.355 8.688 9.541 1.00 96.43 C +ATOM 942 O LEU A 121 3.883 8.862 8.451 1.00 96.22 O +ATOM 943 CB LEU A 121 4.265 9.687 11.685 1.00 96.23 C +ATOM 944 CG LEU A 121 5.724 9.483 11.230 1.00 95.73 C +ATOM 945 CD1 LEU A 121 6.609 9.201 12.448 1.00 95.08 C +ATOM 946 CD2 LEU A 121 6.259 10.717 10.525 1.00 94.45 C +ATOM 947 N PHE A 122 2.814 7.526 9.866 1.00 96.67 N +ATOM 948 CA PHE A 122 2.782 6.395 8.947 1.00 96.71 C +ATOM 949 C PHE A 122 1.984 6.717 7.680 1.00 96.77 C +ATOM 950 O PHE A 122 2.443 6.423 6.581 1.00 96.61 O +ATOM 951 CB PHE A 122 2.200 5.155 9.633 1.00 96.64 C +ATOM 952 CG PHE A 122 2.960 4.647 10.854 1.00 96.62 C +ATOM 953 CD1 PHE A 122 4.324 4.896 11.033 1.00 96.21 C +ATOM 954 CD2 PHE A 122 2.282 3.842 11.791 1.00 96.04 C +ATOM 955 CE1 PHE A 122 5.010 4.377 12.151 1.00 95.55 C +ATOM 956 CE2 PHE A 122 2.955 3.309 12.895 1.00 95.61 C +ATOM 957 CZ PHE A 122 4.316 3.575 13.078 1.00 95.57 C +ATOM 958 N ALA A 123 0.836 7.361 7.830 1.00 96.64 N +ATOM 959 CA ALA A 123 0.034 7.778 6.691 1.00 96.64 C +ATOM 960 C ALA A 123 0.796 8.737 5.769 1.00 96.71 C +ATOM 961 O ALA A 123 0.780 8.557 4.549 1.00 96.53 O +ATOM 962 CB ALA A 123 -1.249 8.408 7.225 1.00 96.49 C +ATOM 963 N GLN A 124 1.506 9.708 6.337 1.00 96.65 N +ATOM 964 CA GLN A 124 2.379 10.612 5.581 1.00 96.61 C +ATOM 965 C GLN A 124 3.449 9.835 4.809 1.00 96.67 C +ATOM 966 O GLN A 124 3.611 10.036 3.608 1.00 96.33 O +ATOM 967 CB GLN A 124 2.996 11.623 6.549 1.00 96.24 C +ATOM 968 CG GLN A 124 3.914 12.611 5.830 1.00 94.73 C +ATOM 969 CD GLN A 124 4.853 13.346 6.791 1.00 93.55 C +ATOM 970 OE1 GLN A 124 4.533 13.632 7.926 1.00 86.78 O +ATOM 971 NE2 GLN A 124 6.034 13.641 6.342 1.00 86.02 N +ATOM 972 N GLN A 125 4.136 8.933 5.456 1.00 96.64 N +ATOM 973 CA GLN A 125 5.199 8.140 4.846 1.00 96.64 C +ATOM 974 C GLN A 125 4.680 7.217 3.731 1.00 96.65 C +ATOM 975 O GLN A 125 5.329 7.060 2.699 1.00 96.42 O +ATOM 976 CB GLN A 125 5.877 7.297 5.922 1.00 96.58 C +ATOM 977 CG GLN A 125 6.715 8.134 6.898 1.00 96.34 C +ATOM 978 CD GLN A 125 7.387 7.288 7.989 1.00 96.13 C +ATOM 979 OE1 GLN A 125 7.297 6.076 8.010 1.00 94.36 O +ATOM 980 NE2 GLN A 125 8.074 7.907 8.895 1.00 93.57 N +ATOM 981 N ILE A 126 3.500 6.651 3.898 1.00 96.63 N +ATOM 982 CA ILE A 126 2.836 5.903 2.829 1.00 96.67 C +ATOM 983 C ILE A 126 2.609 6.809 1.621 1.00 96.65 C +ATOM 984 O ILE A 126 2.944 6.431 0.501 1.00 96.54 O +ATOM 985 CB ILE A 126 1.517 5.266 3.329 1.00 96.76 C +ATOM 986 CG1 ILE A 126 1.792 4.174 4.379 1.00 96.73 C +ATOM 987 CG2 ILE A 126 0.734 4.653 2.154 1.00 96.74 C +ATOM 988 CD1 ILE A 126 0.554 3.789 5.207 1.00 96.44 C +ATOM 989 N CYS A 127 2.125 8.026 1.833 1.00 96.76 N +ATOM 990 CA CYS A 127 1.938 8.986 0.754 1.00 96.71 C +ATOM 991 C CYS A 127 3.248 9.372 0.067 1.00 96.65 C +ATOM 992 O CYS A 127 3.260 9.509 -1.154 1.00 96.39 O +ATOM 993 CB CYS A 127 1.224 10.228 1.280 1.00 96.59 C +ATOM 994 SG CYS A 127 -0.495 9.838 1.654 1.00 96.37 S +ATOM 995 N GLU A 128 4.319 9.522 0.804 1.00 96.88 N +ATOM 996 CA GLU A 128 5.647 9.813 0.244 1.00 96.77 C +ATOM 997 C GLU A 128 6.140 8.675 -0.650 1.00 96.89 C +ATOM 998 O GLU A 128 6.530 8.904 -1.794 1.00 96.55 O +ATOM 999 CB GLU A 128 6.639 10.099 1.387 1.00 96.44 C +ATOM 1000 CG GLU A 128 6.355 11.461 2.041 1.00 94.76 C +ATOM 1001 CD GLU A 128 7.142 11.760 3.336 1.00 93.80 C +ATOM 1002 OE1 GLU A 128 6.977 12.908 3.845 1.00 84.01 O +ATOM 1003 OE2 GLU A 128 7.872 10.898 3.842 1.00 82.10 O +ATOM 1004 N GLY A 129 6.034 7.445 -0.188 1.00 96.79 N +ATOM 1005 CA GLY A 129 6.378 6.273 -0.992 1.00 96.75 C +ATOM 1006 C GLY A 129 5.502 6.103 -2.228 1.00 96.87 C +ATOM 1007 O GLY A 129 5.997 5.787 -3.312 1.00 96.68 O +ATOM 1008 N MET A 130 4.221 6.371 -2.100 1.00 96.50 N +ATOM 1009 CA MET A 130 3.271 6.281 -3.218 1.00 96.56 C +ATOM 1010 C MET A 130 3.440 7.414 -4.238 1.00 96.54 C +ATOM 1011 O MET A 130 3.325 7.165 -5.437 1.00 96.34 O +ATOM 1012 CB MET A 130 1.851 6.268 -2.673 1.00 96.53 C +ATOM 1013 CG MET A 130 1.507 4.938 -1.986 1.00 96.36 C +ATOM 1014 SD MET A 130 1.656 3.428 -2.973 1.00 96.14 S +ATOM 1015 CE MET A 130 0.524 3.790 -4.317 1.00 95.20 C +ATOM 1016 N ALA A 131 3.748 8.632 -3.787 1.00 96.65 N +ATOM 1017 CA ALA A 131 4.069 9.738 -4.674 1.00 96.56 C +ATOM 1018 C ALA A 131 5.305 9.428 -5.520 1.00 96.54 C +ATOM 1019 O ALA A 131 5.296 9.619 -6.732 1.00 96.31 O +ATOM 1020 CB ALA A 131 4.262 11.011 -3.849 1.00 96.45 C +ATOM 1021 N TYR A 132 6.332 8.866 -4.892 1.00 96.57 N +ATOM 1022 CA TYR A 132 7.510 8.385 -5.619 1.00 96.44 C +ATOM 1023 C TYR A 132 7.142 7.300 -6.640 1.00 96.49 C +ATOM 1024 O TYR A 132 7.536 7.395 -7.802 1.00 96.25 O +ATOM 1025 CB TYR A 132 8.541 7.873 -4.620 1.00 96.30 C +ATOM 1026 CG TYR A 132 9.663 7.107 -5.286 1.00 96.12 C +ATOM 1027 CD1 TYR A 132 10.744 7.788 -5.878 1.00 95.69 C +ATOM 1028 CD2 TYR A 132 9.623 5.699 -5.349 1.00 95.50 C +ATOM 1029 CE1 TYR A 132 11.773 7.079 -6.518 1.00 94.91 C +ATOM 1030 CE2 TYR A 132 10.644 4.985 -5.984 1.00 95.10 C +ATOM 1031 CZ TYR A 132 11.713 5.672 -6.569 1.00 95.03 C +ATOM 1032 OH TYR A 132 12.719 4.972 -7.195 1.00 94.15 O +ATOM 1033 N LEU A 133 6.350 6.311 -6.249 1.00 96.37 N +ATOM 1034 CA LEU A 133 5.927 5.224 -7.133 1.00 96.33 C +ATOM 1035 C LEU A 133 5.199 5.754 -8.368 1.00 96.39 C +ATOM 1036 O LEU A 133 5.506 5.351 -9.498 1.00 96.03 O +ATOM 1037 CB LEU A 133 5.048 4.258 -6.332 1.00 96.03 C +ATOM 1038 CG LEU A 133 4.651 3.004 -7.120 1.00 94.87 C +ATOM 1039 CD1 LEU A 133 3.580 2.219 -6.369 1.00 94.07 C +ATOM 1040 CD2 LEU A 133 5.851 2.080 -7.340 1.00 93.23 C +ATOM 1041 N HIS A 134 4.281 6.682 -8.177 1.00 96.14 N +ATOM 1042 CA HIS A 134 3.561 7.325 -9.267 1.00 96.05 C +ATOM 1043 C HIS A 134 4.476 8.172 -10.153 1.00 95.93 C +ATOM 1044 O HIS A 134 4.336 8.135 -11.371 1.00 95.64 O +ATOM 1045 CB HIS A 134 2.432 8.175 -8.680 1.00 95.99 C +ATOM 1046 CG HIS A 134 1.268 7.382 -8.163 1.00 96.04 C +ATOM 1047 ND1 HIS A 134 0.063 7.935 -7.742 1.00 95.26 N1+ +ATOM 1048 CD2 HIS A 134 1.142 6.026 -8.079 1.00 94.99 C +ATOM 1049 CE1 HIS A 134 -0.769 6.939 -7.424 1.00 94.65 C +ATOM 1050 NE2 HIS A 134 -0.148 5.765 -7.618 1.00 94.87 N +ATOM 1051 N ALA A 135 5.453 8.866 -9.572 1.00 96.27 N +ATOM 1052 CA ALA A 135 6.465 9.594 -10.346 1.00 96.08 C +ATOM 1053 C ALA A 135 7.345 8.658 -11.202 1.00 96.15 C +ATOM 1054 O ALA A 135 7.844 9.070 -12.246 1.00 95.72 O +ATOM 1055 CB ALA A 135 7.308 10.417 -9.377 1.00 95.68 C +ATOM 1056 N GLN A 136 7.470 7.406 -10.813 1.00 96.18 N +ATOM 1057 CA GLN A 136 8.110 6.352 -11.627 1.00 96.12 C +ATOM 1058 C GLN A 136 7.147 5.685 -12.627 1.00 96.27 C +ATOM 1059 O GLN A 136 7.498 4.673 -13.247 1.00 95.80 O +ATOM 1060 CB GLN A 136 8.761 5.309 -10.703 1.00 95.66 C +ATOM 1061 CG GLN A 136 9.845 5.885 -9.775 1.00 93.96 C +ATOM 1062 CD GLN A 136 10.935 6.662 -10.505 1.00 92.19 C +ATOM 1063 OE1 GLN A 136 11.617 6.141 -11.344 1.00 85.91 O +ATOM 1064 NE2 GLN A 136 11.097 7.930 -10.186 1.00 84.36 N +ATOM 1065 N HIS A 137 5.957 6.210 -12.784 1.00 95.99 N +ATOM 1066 CA HIS A 137 4.906 5.704 -13.682 1.00 95.93 C +ATOM 1067 C HIS A 137 4.378 4.296 -13.355 1.00 96.22 C +ATOM 1068 O HIS A 137 3.946 3.562 -14.243 1.00 95.79 O +ATOM 1069 CB HIS A 137 5.328 5.860 -15.147 1.00 95.32 C +ATOM 1070 CG HIS A 137 5.730 7.253 -15.511 1.00 94.10 C +ATOM 1071 ND1 HIS A 137 4.893 8.351 -15.514 1.00 90.86 N1+ +ATOM 1072 CD2 HIS A 137 6.974 7.693 -15.871 1.00 87.70 C +ATOM 1073 CE1 HIS A 137 5.619 9.422 -15.865 1.00 86.82 C +ATOM 1074 NE2 HIS A 137 6.899 9.048 -16.091 1.00 89.25 N +ATOM 1075 N TYR A 138 4.349 3.951 -12.107 1.00 95.95 N +ATOM 1076 CA TYR A 138 3.726 2.716 -11.649 1.00 96.01 C +ATOM 1077 C TYR A 138 2.450 2.979 -10.853 1.00 96.12 C +ATOM 1078 O TYR A 138 2.347 3.946 -10.123 1.00 95.83 O +ATOM 1079 CB TYR A 138 4.710 1.898 -10.819 1.00 95.90 C +ATOM 1080 CG TYR A 138 5.947 1.464 -11.588 1.00 95.71 C +ATOM 1081 CD1 TYR A 138 5.861 0.470 -12.591 1.00 95.19 C +ATOM 1082 CD2 TYR A 138 7.185 2.064 -11.309 1.00 95.03 C +ATOM 1083 CE1 TYR A 138 7.003 0.090 -13.312 1.00 94.47 C +ATOM 1084 CE2 TYR A 138 8.329 1.690 -12.027 1.00 94.53 C +ATOM 1085 CZ TYR A 138 8.239 0.705 -13.022 1.00 94.50 C +ATOM 1086 OH TYR A 138 9.354 0.345 -13.737 1.00 93.96 O +ATOM 1087 N ILE A 139 1.510 2.054 -10.952 1.00 95.94 N +ATOM 1088 CA ILE A 139 0.337 1.949 -10.073 1.00 95.91 C +ATOM 1089 C ILE A 139 0.522 0.708 -9.209 1.00 96.05 C +ATOM 1090 O ILE A 139 0.827 -0.362 -9.731 1.00 95.66 O +ATOM 1091 CB ILE A 139 -0.972 1.883 -10.892 1.00 95.31 C +ATOM 1092 CG1 ILE A 139 -1.115 3.097 -11.828 1.00 92.49 C +ATOM 1093 CG2 ILE A 139 -2.176 1.792 -9.951 1.00 91.44 C +ATOM 1094 CD1 ILE A 139 -2.344 2.994 -12.754 1.00 86.12 C +ATOM 1095 N HIS A 140 0.303 0.826 -7.906 1.00 96.05 N +ATOM 1096 CA HIS A 140 0.493 -0.286 -6.964 1.00 96.03 C +ATOM 1097 C HIS A 140 -0.620 -1.325 -7.058 1.00 96.00 C +ATOM 1098 O HIS A 140 -0.355 -2.525 -7.060 1.00 95.56 O +ATOM 1099 CB HIS A 140 0.624 0.288 -5.548 1.00 95.94 C +ATOM 1100 CG HIS A 140 1.013 -0.753 -4.540 1.00 95.91 C +ATOM 1101 ND1 HIS A 140 0.170 -1.641 -3.890 1.00 94.85 N1+ +ATOM 1102 CD2 HIS A 140 2.281 -1.025 -4.108 1.00 94.48 C +ATOM 1103 CE1 HIS A 140 0.918 -2.423 -3.093 1.00 94.12 C +ATOM 1104 NE2 HIS A 140 2.202 -2.069 -3.208 1.00 94.50 N +ATOM 1105 N ARG A 141 -1.861 -0.875 -7.112 1.00 95.98 N +ATOM 1106 CA ARG A 141 -3.094 -1.679 -7.225 1.00 95.84 C +ATOM 1107 C ARG A 141 -3.413 -2.586 -6.019 1.00 95.89 C +ATOM 1108 O ARG A 141 -4.400 -3.315 -6.062 1.00 95.36 O +ATOM 1109 CB ARG A 141 -3.104 -2.483 -8.528 1.00 95.29 C +ATOM 1110 CG ARG A 141 -3.024 -1.625 -9.790 1.00 93.81 C +ATOM 1111 CD ARG A 141 -2.873 -2.498 -11.046 1.00 92.46 C +ATOM 1112 NE ARG A 141 -3.947 -3.486 -11.142 1.00 89.91 N +ATOM 1113 CZ ARG A 141 -3.834 -4.792 -11.357 1.00 88.35 C +ATOM 1114 NH1 ARG A 141 -2.704 -5.373 -11.569 1.00 85.70 N +ATOM 1115 NH2 ARG A 141 -4.889 -5.533 -11.375 1.00 86.30 N1+ +ATOM 1116 N ASN A 142 -2.622 -2.572 -4.984 1.00 95.82 N +ATOM 1117 CA ASN A 142 -2.837 -3.399 -3.802 1.00 95.62 C +ATOM 1118 C ASN A 142 -2.404 -2.699 -2.494 1.00 95.79 C +ATOM 1119 O ASN A 142 -1.966 -3.354 -1.543 1.00 95.39 O +ATOM 1120 CB ASN A 142 -2.133 -4.741 -4.019 1.00 95.04 C +ATOM 1121 CG ASN A 142 -2.555 -5.834 -3.052 1.00 92.83 C +ATOM 1122 OD1 ASN A 142 -3.584 -5.784 -2.398 1.00 87.06 O +ATOM 1123 ND2 ASN A 142 -1.769 -6.878 -2.978 1.00 82.99 N +ATOM 1124 N LEU A 143 -2.514 -1.391 -2.448 1.00 96.13 N +ATOM 1125 CA LEU A 143 -2.201 -0.641 -1.239 1.00 96.12 C +ATOM 1126 C LEU A 143 -3.228 -0.963 -0.143 1.00 96.08 C +ATOM 1127 O LEU A 143 -4.424 -0.777 -0.322 1.00 95.72 O +ATOM 1128 CB LEU A 143 -2.139 0.856 -1.565 1.00 96.13 C +ATOM 1129 CG LEU A 143 -1.733 1.728 -0.361 1.00 95.89 C +ATOM 1130 CD1 LEU A 143 -1.758 3.200 -0.771 1.00 95.61 C +ATOM 1131 CD2 LEU A 143 -0.335 1.393 0.161 1.00 95.47 C +ATOM 1132 N ALA A 144 -2.746 -1.469 0.967 1.00 95.73 N +ATOM 1133 CA ALA A 144 -3.507 -1.863 2.138 1.00 95.61 C +ATOM 1134 C ALA A 144 -2.561 -2.013 3.334 1.00 95.71 C +ATOM 1135 O ALA A 144 -1.373 -2.271 3.137 1.00 95.41 O +ATOM 1136 CB ALA A 144 -4.200 -3.196 1.844 1.00 95.33 C +ATOM 1137 N ALA A 145 -3.060 -1.964 4.562 1.00 95.82 N +ATOM 1138 CA ALA A 145 -2.230 -2.076 5.767 1.00 95.82 C +ATOM 1139 C ALA A 145 -1.434 -3.390 5.848 1.00 95.90 C +ATOM 1140 O ALA A 145 -0.327 -3.411 6.382 1.00 95.62 O +ATOM 1141 CB ALA A 145 -3.139 -1.917 6.986 1.00 95.61 C +ATOM 1142 N ARG A 146 -1.950 -4.471 5.268 1.00 95.46 N +ATOM 1143 CA ARG A 146 -1.231 -5.760 5.152 1.00 95.16 C +ATOM 1144 C ARG A 146 0.028 -5.700 4.294 1.00 95.33 C +ATOM 1145 O ARG A 146 0.886 -6.562 4.447 1.00 94.70 O +ATOM 1146 CB ARG A 146 -2.181 -6.843 4.618 1.00 94.30 C +ATOM 1147 CG ARG A 146 -2.591 -6.600 3.154 1.00 89.78 C +ATOM 1148 CD ARG A 146 -3.489 -7.700 2.602 1.00 87.38 C +ATOM 1149 NE ARG A 146 -3.869 -7.398 1.222 1.00 82.01 N +ATOM 1150 CZ ARG A 146 -4.919 -6.682 0.826 1.00 78.85 C +ATOM 1151 NH1 ARG A 146 -5.810 -6.252 1.667 1.00 71.18 N +ATOM 1152 NH2 ARG A 146 -5.062 -6.386 -0.418 1.00 70.96 N1+ +ATOM 1153 N ASN A 147 0.112 -4.720 3.399 1.00 95.95 N +ATOM 1154 CA ASN A 147 1.219 -4.529 2.467 1.00 95.86 C +ATOM 1155 C ASN A 147 2.118 -3.350 2.855 1.00 95.98 C +ATOM 1156 O ASN A 147 3.014 -2.994 2.096 1.00 95.65 O +ATOM 1157 CB ASN A 147 0.647 -4.380 1.042 1.00 95.63 C +ATOM 1158 CG ASN A 147 -0.058 -5.630 0.538 1.00 95.05 C +ATOM 1159 OD1 ASN A 147 0.100 -6.717 1.063 1.00 93.51 O +ATOM 1160 ND2 ASN A 147 -0.846 -5.511 -0.501 1.00 92.83 N +ATOM 1161 N VAL A 148 1.888 -2.753 3.996 1.00 96.34 N +ATOM 1162 CA VAL A 148 2.766 -1.760 4.592 1.00 96.33 C +ATOM 1163 C VAL A 148 3.493 -2.403 5.774 1.00 96.33 C +ATOM 1164 O VAL A 148 2.861 -2.870 6.722 1.00 96.10 O +ATOM 1165 CB VAL A 148 1.999 -0.499 5.007 1.00 96.29 C +ATOM 1166 CG1 VAL A 148 1.244 0.119 3.821 1.00 96.13 C +ATOM 1167 CG2 VAL A 148 2.976 0.553 5.544 1.00 96.19 C +ATOM 1168 N LEU A 149 4.797 -2.447 5.694 1.00 96.65 N +ATOM 1169 CA LEU A 149 5.669 -3.071 6.678 1.00 96.56 C +ATOM 1170 C LEU A 149 6.292 -2.015 7.576 1.00 96.64 C +ATOM 1171 O LEU A 149 6.602 -0.917 7.141 1.00 96.27 O +ATOM 1172 CB LEU A 149 6.748 -3.893 5.954 1.00 96.19 C +ATOM 1173 CG LEU A 149 6.214 -4.944 4.969 1.00 95.05 C +ATOM 1174 CD1 LEU A 149 7.402 -5.608 4.263 1.00 93.97 C +ATOM 1175 CD2 LEU A 149 5.410 -6.037 5.661 1.00 92.62 C +ATOM 1176 N LEU A 150 6.499 -2.355 8.831 1.00 96.15 N +ATOM 1177 CA LEU A 150 7.071 -1.486 9.842 1.00 96.01 C +ATOM 1178 C LEU A 150 8.510 -1.921 10.155 1.00 96.05 C +ATOM 1179 O LEU A 150 8.737 -3.027 10.659 1.00 95.54 O +ATOM 1180 CB LEU A 150 6.135 -1.527 11.059 1.00 95.42 C +ATOM 1181 CG LEU A 150 6.524 -0.550 12.184 1.00 92.73 C +ATOM 1182 CD1 LEU A 150 5.602 -0.772 13.375 1.00 90.68 C +ATOM 1183 CD2 LEU A 150 6.379 0.904 11.761 1.00 88.58 C +ATOM 1184 N ASP A 151 9.450 -1.036 9.857 1.00 95.09 N +ATOM 1185 CA ASP A 151 10.871 -1.298 10.097 1.00 94.87 C +ATOM 1186 C ASP A 151 11.259 -1.012 11.566 1.00 94.92 C +ATOM 1187 O ASP A 151 11.915 -1.808 12.231 1.00 94.12 O +ATOM 1188 CB ASP A 151 11.677 -0.435 9.122 1.00 93.90 C +ATOM 1189 CG ASP A 151 13.164 -0.790 9.103 1.00 90.79 C +ATOM 1190 OD1 ASP A 151 13.495 -1.999 9.211 1.00 86.10 O +ATOM 1191 OD2 ASP A 151 13.971 0.148 8.909 1.00 82.68 O +ATOM 1192 N ASN A 152 10.776 0.110 12.050 1.00 94.89 N +ATOM 1193 CA ASN A 152 10.894 0.522 13.453 1.00 94.72 C +ATOM 1194 C ASN A 152 9.683 1.395 13.824 1.00 94.80 C +ATOM 1195 O ASN A 152 8.799 1.624 12.994 1.00 94.28 O +ATOM 1196 CB ASN A 152 12.245 1.238 13.657 1.00 94.30 C +ATOM 1197 CG ASN A 152 12.396 2.486 12.803 1.00 93.57 C +ATOM 1198 OD1 ASN A 152 11.673 3.462 12.990 1.00 91.41 O +ATOM 1199 ND2 ASN A 152 13.316 2.497 11.873 1.00 90.36 N +ATOM 1200 N ASP A 153 9.643 1.918 15.008 1.00 93.38 N +ATOM 1201 CA ASP A 153 8.520 2.718 15.527 1.00 93.27 C +ATOM 1202 C ASP A 153 8.232 4.014 14.750 1.00 93.62 C +ATOM 1203 O ASP A 153 7.181 4.621 14.961 1.00 92.31 O +ATOM 1204 CB ASP A 153 8.782 3.017 17.015 1.00 91.65 C +ATOM 1205 CG ASP A 153 9.973 3.944 17.292 1.00 85.75 C +ATOM 1206 OD1 ASP A 153 10.963 3.894 16.543 1.00 77.03 O +ATOM 1207 OD2 ASP A 153 9.885 4.723 18.264 1.00 74.83 O +ATOM 1208 N ARG A 154 9.103 4.403 13.838 1.00 93.32 N +ATOM 1209 CA ARG A 154 8.985 5.644 13.047 1.00 93.04 C +ATOM 1210 C ARG A 154 9.081 5.449 11.540 1.00 93.74 C +ATOM 1211 O ARG A 154 9.003 6.440 10.827 1.00 92.34 O +ATOM 1212 CB ARG A 154 10.030 6.655 13.504 1.00 90.70 C +ATOM 1213 CG ARG A 154 9.840 7.068 14.970 1.00 81.16 C +ATOM 1214 CD ARG A 154 10.812 8.173 15.324 1.00 73.54 C +ATOM 1215 NE ARG A 154 10.660 8.553 16.748 1.00 67.04 N +ATOM 1216 CZ ARG A 154 11.224 9.579 17.336 1.00 59.42 C +ATOM 1217 NH1 ARG A 154 12.009 10.393 16.692 1.00 52.56 N +ATOM 1218 NH2 ARG A 154 11.003 9.807 18.601 1.00 49.60 N1+ +ATOM 1219 N LEU A 155 9.285 4.252 11.039 1.00 96.05 N +ATOM 1220 CA LEU A 155 9.564 4.025 9.626 1.00 96.09 C +ATOM 1221 C LEU A 155 8.725 2.893 9.061 1.00 96.28 C +ATOM 1222 O LEU A 155 8.888 1.732 9.446 1.00 95.87 O +ATOM 1223 CB LEU A 155 11.065 3.772 9.445 1.00 95.68 C +ATOM 1224 CG LEU A 155 11.503 3.600 7.979 1.00 94.30 C +ATOM 1225 CD1 LEU A 155 13.001 3.282 7.913 1.00 93.40 C +ATOM 1226 CD2 LEU A 155 11.261 4.852 7.150 1.00 92.09 C +ATOM 1227 N VAL A 156 7.884 3.214 8.080 1.00 96.47 N +ATOM 1228 CA VAL A 156 7.126 2.244 7.305 1.00 96.51 C +ATOM 1229 C VAL A 156 7.649 2.134 5.880 1.00 96.59 C +ATOM 1230 O VAL A 156 8.196 3.084 5.323 1.00 96.23 O +ATOM 1231 CB VAL A 156 5.616 2.529 7.307 1.00 96.19 C +ATOM 1232 CG1 VAL A 156 5.041 2.412 8.718 1.00 95.11 C +ATOM 1233 CG2 VAL A 156 5.241 3.882 6.715 1.00 94.71 C +ATOM 1234 N LYS A 157 7.435 0.976 5.294 1.00 96.70 N +ATOM 1235 CA LYS A 157 7.810 0.668 3.915 1.00 96.58 C +ATOM 1236 C LYS A 157 6.680 -0.068 3.205 1.00 96.66 C +ATOM 1237 O LYS A 157 6.142 -1.042 3.726 1.00 96.34 O +ATOM 1238 CB LYS A 157 9.094 -0.166 3.888 1.00 96.27 C +ATOM 1239 CG LYS A 157 10.255 0.562 4.566 1.00 95.55 C +ATOM 1240 CD LYS A 157 11.572 -0.176 4.362 1.00 94.81 C +ATOM 1241 CE LYS A 157 12.683 0.595 5.076 1.00 93.38 C +ATOM 1242 NZ LYS A 157 14.021 0.156 4.646 1.00 91.50 N1+ +ATOM 1243 N ILE A 158 6.358 0.375 2.011 1.00 96.47 N +ATOM 1244 CA ILE A 158 5.383 -0.279 1.149 1.00 96.51 C +ATOM 1245 C ILE A 158 6.021 -1.525 0.533 1.00 96.55 C +ATOM 1246 O ILE A 158 7.146 -1.475 0.039 1.00 96.32 O +ATOM 1247 CB ILE A 158 4.859 0.695 0.077 1.00 96.45 C +ATOM 1248 CG1 ILE A 158 4.250 1.951 0.727 1.00 96.13 C +ATOM 1249 CG2 ILE A 158 3.817 0.005 -0.822 1.00 96.09 C +ATOM 1250 CD1 ILE A 158 4.045 3.101 -0.261 1.00 95.48 C +ATOM 1251 N GLY A 159 5.303 -2.628 0.556 1.00 95.61 N +ATOM 1252 CA GLY A 159 5.701 -3.888 -0.049 1.00 95.32 C +ATOM 1253 C GLY A 159 4.621 -4.484 -0.951 1.00 95.46 C +ATOM 1254 O GLY A 159 3.605 -3.854 -1.252 1.00 94.67 O +ATOM 1255 N ASP A 160 4.832 -5.712 -1.368 1.00 94.32 N +ATOM 1256 CA ASP A 160 3.966 -6.518 -2.236 1.00 94.17 C +ATOM 1257 C ASP A 160 3.582 -5.853 -3.565 1.00 94.46 C +ATOM 1258 O ASP A 160 2.421 -5.551 -3.847 1.00 93.34 O +ATOM 1259 CB ASP A 160 2.771 -7.095 -1.480 1.00 92.67 C +ATOM 1260 CG ASP A 160 2.123 -8.254 -2.252 1.00 85.78 C +ATOM 1261 OD1 ASP A 160 2.672 -8.713 -3.273 1.00 73.44 O +ATOM 1262 OD2 ASP A 160 1.072 -8.732 -1.810 1.00 71.51 O +ATOM 1263 N PHE A 161 4.557 -5.717 -4.429 1.00 95.25 N +ATOM 1264 CA PHE A 161 4.381 -5.186 -5.781 1.00 95.24 C +ATOM 1265 C PHE A 161 3.814 -6.213 -6.783 1.00 95.14 C +ATOM 1266 O PHE A 161 3.866 -5.996 -7.990 1.00 93.98 O +ATOM 1267 CB PHE A 161 5.701 -4.573 -6.240 1.00 94.83 C +ATOM 1268 CG PHE A 161 6.051 -3.325 -5.458 1.00 94.86 C +ATOM 1269 CD1 PHE A 161 5.663 -2.066 -5.942 1.00 93.68 C +ATOM 1270 CD2 PHE A 161 6.705 -3.418 -4.221 1.00 93.46 C +ATOM 1271 CE1 PHE A 161 5.909 -0.914 -5.190 1.00 92.39 C +ATOM 1272 CE2 PHE A 161 6.947 -2.268 -3.454 1.00 92.69 C +ATOM 1273 CZ PHE A 161 6.543 -1.018 -3.941 1.00 92.95 C +ATOM 1274 N GLY A 162 3.230 -7.295 -6.301 1.00 94.67 N +ATOM 1275 CA GLY A 162 2.706 -8.372 -7.143 1.00 94.40 C +ATOM 1276 C GLY A 162 1.594 -7.953 -8.113 1.00 94.68 C +ATOM 1277 O GLY A 162 1.481 -8.515 -9.204 1.00 93.87 O +ATOM 1278 N LEU A 163 0.807 -6.956 -7.766 1.00 95.12 N +ATOM 1279 CA LEU A 163 -0.216 -6.370 -8.628 1.00 95.21 C +ATOM 1280 C LEU A 163 0.232 -5.085 -9.322 1.00 95.25 C +ATOM 1281 O LEU A 163 -0.511 -4.579 -10.170 1.00 94.69 O +ATOM 1282 CB LEU A 163 -1.499 -6.146 -7.822 1.00 94.98 C +ATOM 1283 CG LEU A 163 -2.217 -7.437 -7.391 1.00 94.29 C +ATOM 1284 CD1 LEU A 163 -3.506 -7.073 -6.638 1.00 93.60 C +ATOM 1285 CD2 LEU A 163 -2.622 -8.297 -8.592 1.00 92.90 C +ATOM 1286 N ALA A 164 1.394 -4.547 -8.995 1.00 95.72 N +ATOM 1287 CA ALA A 164 1.862 -3.294 -9.553 1.00 95.65 C +ATOM 1288 C ALA A 164 2.015 -3.380 -11.075 1.00 95.72 C +ATOM 1289 O ALA A 164 2.387 -4.405 -11.638 1.00 95.10 O +ATOM 1290 CB ALA A 164 3.162 -2.879 -8.865 1.00 95.24 C +ATOM 1291 N LYS A 165 1.697 -2.286 -11.750 1.00 95.31 N +ATOM 1292 CA LYS A 165 1.786 -2.188 -13.207 1.00 95.07 C +ATOM 1293 C LYS A 165 2.377 -0.856 -13.622 1.00 95.34 C +ATOM 1294 O LYS A 165 2.069 0.172 -13.023 1.00 94.86 O +ATOM 1295 CB LYS A 165 0.400 -2.368 -13.847 1.00 94.22 C +ATOM 1296 CG LYS A 165 -0.184 -3.782 -13.675 1.00 89.98 C +ATOM 1297 CD LYS A 165 0.635 -4.868 -14.374 1.00 85.98 C +ATOM 1298 CE LYS A 165 0.025 -6.239 -14.100 1.00 79.46 C +ATOM 1299 NZ LYS A 165 0.867 -7.322 -14.681 1.00 72.80 N1+ +ATOM 1300 N ALA A 166 3.165 -0.873 -14.678 1.00 94.70 N +ATOM 1301 CA ALA A 166 3.538 0.334 -15.383 1.00 94.62 C +ATOM 1302 C ALA A 166 2.326 0.906 -16.123 1.00 94.60 C +ATOM 1303 O ALA A 166 1.570 0.166 -16.767 1.00 93.78 O +ATOM 1304 CB ALA A 166 4.692 0.020 -16.330 1.00 93.93 C +ATOM 1305 N VAL A 167 2.147 2.205 -16.042 1.00 93.00 N +ATOM 1306 CA VAL A 167 1.175 2.911 -16.870 1.00 92.73 C +ATOM 1307 C VAL A 167 1.831 3.153 -18.240 1.00 92.56 C +ATOM 1308 O VAL A 167 2.888 3.752 -18.285 1.00 91.58 O +ATOM 1309 CB VAL A 167 0.739 4.229 -16.228 1.00 92.07 C +ATOM 1310 CG1 VAL A 167 0.123 3.975 -14.857 1.00 90.72 C +ATOM 1311 CG2 VAL A 167 -0.312 4.930 -17.074 1.00 90.95 C +ATOM 1312 N PRO A 168 1.219 2.689 -19.326 1.00 89.77 N +ATOM 1313 CA PRO A 168 1.785 2.904 -20.650 1.00 89.08 C +ATOM 1314 C PRO A 168 1.912 4.387 -20.964 1.00 89.01 C +ATOM 1315 O PRO A 168 1.031 5.192 -20.614 1.00 87.68 O +ATOM 1316 CB PRO A 168 0.845 2.202 -21.626 1.00 87.65 C +ATOM 1317 CG PRO A 168 0.136 1.173 -20.768 1.00 86.10 C +ATOM 1318 CD PRO A 168 0.029 1.859 -19.407 1.00 87.54 C +ATOM 1319 N GLU A 169 2.960 4.758 -21.644 1.00 86.74 N +ATOM 1320 CA GLU A 169 3.194 6.142 -22.052 1.00 86.27 C +ATOM 1321 C GLU A 169 1.996 6.679 -22.843 1.00 86.37 C +ATOM 1322 O GLU A 169 1.434 5.994 -23.709 1.00 82.39 O +ATOM 1323 CB GLU A 169 4.491 6.243 -22.827 1.00 83.06 C +ATOM 1324 CG GLU A 169 4.944 7.691 -23.010 1.00 76.03 C +ATOM 1325 CD GLU A 169 6.301 7.831 -23.711 1.00 70.41 C +ATOM 1326 OE1 GLU A 169 6.822 8.969 -23.727 1.00 60.88 O +ATOM 1327 OE2 GLU A 169 6.819 6.819 -24.214 1.00 59.22 O +ATOM 1328 N GLY A 170 1.601 7.887 -22.539 1.00 86.74 N +ATOM 1329 CA GLY A 170 0.432 8.522 -23.156 1.00 86.57 C +ATOM 1330 C GLY A 170 -0.929 8.006 -22.654 1.00 87.36 C +ATOM 1331 O GLY A 170 -1.952 8.424 -23.183 1.00 85.51 O +ATOM 1332 N HIS A 171 -0.944 7.142 -21.663 1.00 87.43 N +ATOM 1333 CA HIS A 171 -2.172 6.658 -21.039 1.00 87.54 C +ATOM 1334 C HIS A 171 -2.298 7.198 -19.606 1.00 88.36 C +ATOM 1335 O HIS A 171 -1.307 7.426 -18.924 1.00 86.67 O +ATOM 1336 CB HIS A 171 -2.206 5.129 -21.039 1.00 86.44 C +ATOM 1337 CG HIS A 171 -2.323 4.534 -22.413 1.00 86.32 C +ATOM 1338 ND1 HIS A 171 -1.313 4.479 -23.353 1.00 77.66 N1+ +ATOM 1339 CD2 HIS A 171 -3.428 3.961 -22.976 1.00 77.76 C +ATOM 1340 CE1 HIS A 171 -1.793 3.896 -24.472 1.00 76.91 C +ATOM 1341 NE2 HIS A 171 -3.075 3.566 -24.288 1.00 79.35 N +ATOM 1342 N GLU A 172 -3.527 7.350 -19.164 1.00 89.37 N +ATOM 1343 CA GLU A 172 -3.833 7.773 -17.807 1.00 89.34 C +ATOM 1344 C GLU A 172 -4.146 6.611 -16.880 1.00 90.20 C +ATOM 1345 O GLU A 172 -4.167 6.767 -15.658 1.00 88.02 O +ATOM 1346 CB GLU A 172 -5.005 8.754 -17.828 1.00 86.59 C +ATOM 1347 CG GLU A 172 -4.671 10.032 -18.606 1.00 79.63 C +ATOM 1348 CD GLU A 172 -5.802 11.071 -18.589 1.00 76.74 C +ATOM 1349 OE1 GLU A 172 -5.511 12.248 -18.951 1.00 64.77 O +ATOM 1350 OE2 GLU A 172 -6.948 10.703 -18.225 1.00 62.66 O +ATOM 1351 N TYR A 173 -4.388 5.438 -17.436 1.00 91.46 N +ATOM 1352 CA TYR A 173 -4.784 4.257 -16.678 1.00 92.07 C +ATOM 1353 C TYR A 173 -4.202 2.973 -17.256 1.00 92.29 C +ATOM 1354 O TYR A 173 -3.865 2.870 -18.435 1.00 90.73 O +ATOM 1355 CB TYR A 173 -6.316 4.177 -16.617 1.00 91.07 C +ATOM 1356 CG TYR A 173 -7.019 3.962 -17.961 1.00 91.39 C +ATOM 1357 CD1 TYR A 173 -7.471 5.064 -18.710 1.00 90.24 C +ATOM 1358 CD2 TYR A 173 -7.219 2.664 -18.451 1.00 90.33 C +ATOM 1359 CE1 TYR A 173 -8.111 4.872 -19.938 1.00 89.37 C +ATOM 1360 CE2 TYR A 173 -7.858 2.467 -19.697 1.00 89.64 C +ATOM 1361 CZ TYR A 173 -8.297 3.577 -20.421 1.00 89.94 C +ATOM 1362 OH TYR A 173 -8.921 3.390 -21.640 1.00 87.58 O +ATOM 1363 N TYR A 174 -4.182 1.954 -16.436 1.00 92.38 N +ATOM 1364 CA TYR A 174 -3.973 0.570 -16.843 1.00 92.38 C +ATOM 1365 C TYR A 174 -5.310 -0.174 -16.821 1.00 92.43 C +ATOM 1366 O TYR A 174 -6.128 0.021 -15.932 1.00 91.32 O +ATOM 1367 CB TYR A 174 -2.941 -0.060 -15.902 1.00 91.31 C +ATOM 1368 CG TYR A 174 -2.683 -1.509 -16.218 1.00 89.99 C +ATOM 1369 CD1 TYR A 174 -1.799 -1.861 -17.262 1.00 87.85 C +ATOM 1370 CD2 TYR A 174 -3.343 -2.528 -15.503 1.00 87.01 C +ATOM 1371 CE1 TYR A 174 -1.592 -3.205 -17.587 1.00 85.38 C +ATOM 1372 CE2 TYR A 174 -3.134 -3.874 -15.838 1.00 86.24 C +ATOM 1373 CZ TYR A 174 -2.255 -4.211 -16.875 1.00 85.95 C +ATOM 1374 OH TYR A 174 -2.047 -5.534 -17.219 1.00 83.65 O +ATOM 1375 N ARG A 175 -5.559 -1.041 -17.798 1.00 91.42 N +ATOM 1376 CA ARG A 175 -6.763 -1.880 -17.840 1.00 91.11 C +ATOM 1377 C ARG A 175 -6.389 -3.332 -17.575 1.00 90.98 C +ATOM 1378 O ARG A 175 -5.577 -3.886 -18.312 1.00 89.86 O +ATOM 1379 CB ARG A 175 -7.505 -1.685 -19.158 1.00 90.26 C +ATOM 1380 CG ARG A 175 -8.891 -2.301 -19.092 1.00 86.74 C +ATOM 1381 CD ARG A 175 -9.659 -2.013 -20.403 1.00 86.00 C +ATOM 1382 NE ARG A 175 -11.006 -1.485 -20.121 1.00 82.40 N +ATOM 1383 CZ ARG A 175 -11.892 -1.077 -21.012 1.00 80.67 C +ATOM 1384 NH1 ARG A 175 -11.658 -1.135 -22.294 1.00 74.88 N +ATOM 1385 NH2 ARG A 175 -13.016 -0.588 -20.627 1.00 75.55 N1+ +ATOM 1386 N VAL A 176 -7.056 -3.938 -16.622 1.00 87.72 N +ATOM 1387 CA VAL A 176 -6.909 -5.365 -16.342 1.00 87.30 C +ATOM 1388 C VAL A 176 -7.835 -6.159 -17.269 1.00 86.92 C +ATOM 1389 O VAL A 176 -8.938 -5.739 -17.588 1.00 84.13 O +ATOM 1390 CB VAL A 176 -7.172 -5.666 -14.867 1.00 85.30 C +ATOM 1391 CG1 VAL A 176 -6.181 -4.885 -14.010 1.00 83.42 C +ATOM 1392 CG2 VAL A 176 -6.983 -7.143 -14.516 1.00 82.68 C +ATOM 1393 N ARG A 177 -7.361 -7.297 -17.694 1.00 80.01 N +ATOM 1394 CA ARG A 177 -8.130 -8.223 -18.553 1.00 79.16 C +ATOM 1395 C ARG A 177 -8.370 -9.586 -17.921 1.00 79.50 C +ATOM 1396 O ARG A 177 -9.003 -10.416 -18.529 1.00 73.10 O +ATOM 1397 CB ARG A 177 -7.422 -8.392 -19.899 1.00 74.38 C +ATOM 1398 CG ARG A 177 -7.347 -7.095 -20.707 1.00 67.64 C +ATOM 1399 CD ARG A 177 -6.750 -7.392 -22.076 1.00 62.85 C +ATOM 1400 NE ARG A 177 -6.636 -6.182 -22.905 1.00 57.66 N +ATOM 1401 CZ ARG A 177 -6.209 -6.152 -24.151 1.00 50.05 C +ATOM 1402 NH1 ARG A 177 -5.845 -7.238 -24.761 1.00 48.72 N +ATOM 1403 NH2 ARG A 177 -6.136 -5.019 -24.785 1.00 44.84 N1+ +ATOM 1404 N GLU A 178 -7.807 -9.809 -16.762 1.00 74.99 N +ATOM 1405 CA GLU A 178 -7.800 -11.106 -16.111 1.00 72.99 C +ATOM 1406 C GLU A 178 -8.625 -11.051 -14.836 1.00 73.19 C +ATOM 1407 O GLU A 178 -8.470 -10.147 -14.017 1.00 68.22 O +ATOM 1408 CB GLU A 178 -6.345 -11.494 -15.786 1.00 68.45 C +ATOM 1409 CG GLU A 178 -5.511 -11.620 -17.063 1.00 62.96 C +ATOM 1410 CD GLU A 178 -4.008 -11.790 -16.783 1.00 58.95 C +ATOM 1411 OE1 GLU A 178 -3.214 -11.658 -17.761 1.00 50.72 O +ATOM 1412 OE2 GLU A 178 -3.636 -12.067 -15.629 1.00 48.49 O +ATOM 1413 N ASP A 179 -9.493 -12.036 -14.678 1.00 72.23 N +ATOM 1414 CA ASP A 179 -10.159 -12.305 -13.427 1.00 71.99 C +ATOM 1415 C ASP A 179 -9.166 -12.975 -12.460 1.00 72.58 C +ATOM 1416 O ASP A 179 -8.358 -13.816 -12.861 1.00 67.96 O +ATOM 1417 CB ASP A 179 -11.396 -13.174 -13.647 1.00 67.98 C +ATOM 1418 CG ASP A 179 -12.495 -12.439 -14.420 1.00 65.09 C +ATOM 1419 OD1 ASP A 179 -12.626 -11.212 -14.245 1.00 56.71 O +ATOM 1420 OD2 ASP A 179 -13.210 -13.123 -15.189 1.00 56.64 O +ATOM 1421 N GLY A 180 -9.232 -12.617 -11.209 1.00 74.33 N +ATOM 1422 CA GLY A 180 -8.401 -13.203 -10.175 1.00 73.46 C +ATOM 1423 C GLY A 180 -8.758 -12.660 -8.802 1.00 74.90 C +ATOM 1424 O GLY A 180 -9.584 -11.756 -8.680 1.00 70.62 O +ATOM 1425 N ASP A 181 -8.133 -13.185 -7.787 1.00 79.00 N +ATOM 1426 CA ASP A 181 -8.308 -12.711 -6.414 1.00 79.82 C +ATOM 1427 C ASP A 181 -7.829 -11.265 -6.291 1.00 81.15 C +ATOM 1428 O ASP A 181 -6.649 -10.980 -6.164 1.00 78.31 O +ATOM 1429 CB ASP A 181 -7.604 -13.641 -5.423 1.00 76.55 C +ATOM 1430 CG ASP A 181 -8.363 -14.940 -5.189 1.00 73.20 C +ATOM 1431 OD1 ASP A 181 -9.576 -14.976 -5.421 1.00 67.05 O +ATOM 1432 OD2 ASP A 181 -7.712 -15.914 -4.740 1.00 67.49 O +ATOM 1433 N SER A 182 -8.778 -10.369 -6.353 1.00 88.67 N +ATOM 1434 CA SER A 182 -8.555 -8.938 -6.273 1.00 89.02 C +ATOM 1435 C SER A 182 -9.003 -8.410 -4.901 1.00 89.47 C +ATOM 1436 O SER A 182 -10.056 -8.816 -4.407 1.00 88.38 O +ATOM 1437 CB SER A 182 -9.306 -8.244 -7.397 1.00 87.74 C +ATOM 1438 OG SER A 182 -8.705 -8.556 -8.646 1.00 83.93 O +ATOM 1439 N PRO A 183 -8.287 -7.484 -4.307 1.00 93.09 N +ATOM 1440 CA PRO A 183 -8.653 -6.876 -3.028 1.00 93.09 C +ATOM 1441 C PRO A 183 -9.797 -5.865 -3.216 1.00 93.42 C +ATOM 1442 O PRO A 183 -9.621 -4.672 -3.019 1.00 92.70 O +ATOM 1443 CB PRO A 183 -7.352 -6.278 -2.495 1.00 92.33 C +ATOM 1444 CG PRO A 183 -6.622 -5.851 -3.764 1.00 91.11 C +ATOM 1445 CD PRO A 183 -6.981 -6.972 -4.740 1.00 92.47 C +ATOM 1446 N VAL A 184 -10.969 -6.343 -3.595 1.00 95.16 N +ATOM 1447 CA VAL A 184 -12.114 -5.535 -4.045 1.00 95.17 C +ATOM 1448 C VAL A 184 -12.561 -4.488 -3.024 1.00 95.29 C +ATOM 1449 O VAL A 184 -12.927 -3.388 -3.413 1.00 94.82 O +ATOM 1450 CB VAL A 184 -13.298 -6.417 -4.455 1.00 94.63 C +ATOM 1451 CG1 VAL A 184 -12.937 -7.271 -5.664 1.00 93.24 C +ATOM 1452 CG2 VAL A 184 -13.795 -7.320 -3.333 1.00 92.97 C +ATOM 1453 N PHE A 185 -12.450 -4.763 -1.743 1.00 95.03 N +ATOM 1454 CA PHE A 185 -12.822 -3.817 -0.683 1.00 95.15 C +ATOM 1455 C PHE A 185 -11.880 -2.609 -0.562 1.00 95.19 C +ATOM 1456 O PHE A 185 -12.213 -1.642 0.111 1.00 94.86 O +ATOM 1457 CB PHE A 185 -12.912 -4.567 0.642 1.00 95.06 C +ATOM 1458 CG PHE A 185 -13.927 -5.696 0.619 1.00 95.08 C +ATOM 1459 CD1 PHE A 185 -15.298 -5.420 0.537 1.00 94.55 C +ATOM 1460 CD2 PHE A 185 -13.495 -7.033 0.690 1.00 94.53 C +ATOM 1461 CE1 PHE A 185 -16.223 -6.466 0.540 1.00 93.87 C +ATOM 1462 CE2 PHE A 185 -14.424 -8.079 0.688 1.00 93.82 C +ATOM 1463 CZ PHE A 185 -15.795 -7.798 0.615 1.00 93.86 C +ATOM 1464 N TRP A 186 -10.756 -2.633 -1.223 1.00 94.94 N +ATOM 1465 CA TRP A 186 -9.854 -1.492 -1.370 1.00 94.96 C +ATOM 1466 C TRP A 186 -9.988 -0.794 -2.733 1.00 95.03 C +ATOM 1467 O TRP A 186 -9.289 0.183 -2.974 1.00 94.86 O +ATOM 1468 CB TRP A 186 -8.403 -1.930 -1.131 1.00 95.02 C +ATOM 1469 CG TRP A 186 -8.071 -2.221 0.300 1.00 95.22 C +ATOM 1470 CD1 TRP A 186 -7.395 -1.408 1.136 1.00 95.05 C +ATOM 1471 CD2 TRP A 186 -8.434 -3.420 1.081 1.00 95.20 C +ATOM 1472 NE1 TRP A 186 -7.311 -2.013 2.401 1.00 94.84 N +ATOM 1473 CE2 TRP A 186 -7.952 -3.229 2.400 1.00 94.93 C +ATOM 1474 CE3 TRP A 186 -9.120 -4.623 0.802 1.00 94.88 C +ATOM 1475 CZ2 TRP A 186 -8.160 -4.188 3.436 1.00 94.48 C +ATOM 1476 CZ3 TRP A 186 -9.333 -5.581 1.830 1.00 94.57 C +ATOM 1477 CH2 TRP A 186 -8.839 -5.353 3.130 1.00 94.41 C +ATOM 1478 N TYR A 187 -10.836 -1.299 -3.619 1.00 95.74 N +ATOM 1479 CA TYR A 187 -10.929 -0.801 -4.974 1.00 95.66 C +ATOM 1480 C TYR A 187 -11.957 0.308 -5.130 1.00 95.87 C +ATOM 1481 O TYR A 187 -13.061 0.238 -4.610 1.00 95.49 O +ATOM 1482 CB TYR A 187 -11.180 -1.950 -5.955 1.00 95.27 C +ATOM 1483 CG TYR A 187 -9.975 -2.820 -6.298 1.00 94.40 C +ATOM 1484 CD1 TYR A 187 -8.692 -2.578 -5.779 1.00 93.22 C +ATOM 1485 CD2 TYR A 187 -10.145 -3.870 -7.217 1.00 92.46 C +ATOM 1486 CE1 TYR A 187 -7.598 -3.370 -6.156 1.00 92.09 C +ATOM 1487 CE2 TYR A 187 -9.059 -4.671 -7.605 1.00 91.84 C +ATOM 1488 CZ TYR A 187 -7.786 -4.422 -7.078 1.00 91.96 C +ATOM 1489 OH TYR A 187 -6.717 -5.199 -7.452 1.00 91.54 O +ATOM 1490 N ALA A 188 -11.580 1.304 -5.926 1.00 95.56 N +ATOM 1491 CA ALA A 188 -12.454 2.363 -6.376 1.00 95.51 C +ATOM 1492 C ALA A 188 -13.515 1.861 -7.374 1.00 95.56 C +ATOM 1493 O ALA A 188 -13.317 0.827 -8.022 1.00 95.40 O +ATOM 1494 CB ALA A 188 -11.564 3.448 -6.985 1.00 95.40 C +ATOM 1495 N PRO A 189 -14.609 2.596 -7.579 1.00 95.11 N +ATOM 1496 CA PRO A 189 -15.677 2.198 -8.493 1.00 94.91 C +ATOM 1497 C PRO A 189 -15.209 1.875 -9.913 1.00 94.96 C +ATOM 1498 O PRO A 189 -15.624 0.861 -10.480 1.00 94.66 O +ATOM 1499 CB PRO A 189 -16.648 3.373 -8.486 1.00 94.61 C +ATOM 1500 CG PRO A 189 -16.477 3.960 -7.088 1.00 93.83 C +ATOM 1501 CD PRO A 189 -14.983 3.776 -6.826 1.00 94.60 C +ATOM 1502 N GLU A 190 -14.319 2.663 -10.485 1.00 94.83 N +ATOM 1503 CA GLU A 190 -13.787 2.411 -11.836 1.00 94.78 C +ATOM 1504 C GLU A 190 -12.984 1.111 -11.939 1.00 94.67 C +ATOM 1505 O GLU A 190 -12.919 0.508 -13.005 1.00 94.11 O +ATOM 1506 CB GLU A 190 -12.938 3.620 -12.299 1.00 94.54 C +ATOM 1507 CG GLU A 190 -11.584 3.845 -11.616 1.00 93.74 C +ATOM 1508 CD GLU A 190 -11.622 4.577 -10.269 1.00 93.70 C +ATOM 1509 OE1 GLU A 190 -10.547 4.795 -9.688 1.00 87.23 O +ATOM 1510 OE2 GLU A 190 -12.708 4.956 -9.796 1.00 86.03 O +ATOM 1511 N CYS A 191 -12.386 0.650 -10.843 1.00 95.22 N +ATOM 1512 CA CYS A 191 -11.688 -0.626 -10.799 1.00 95.07 C +ATOM 1513 C CYS A 191 -12.679 -1.794 -10.784 1.00 95.01 C +ATOM 1514 O CYS A 191 -12.456 -2.801 -11.455 1.00 94.53 O +ATOM 1515 CB CYS A 191 -10.781 -0.698 -9.566 1.00 94.90 C +ATOM 1516 SG CYS A 191 -9.639 0.700 -9.448 1.00 94.35 S +ATOM 1517 N LEU A 192 -13.760 -1.639 -10.041 1.00 94.56 N +ATOM 1518 CA LEU A 192 -14.790 -2.668 -9.897 1.00 94.48 C +ATOM 1519 C LEU A 192 -15.633 -2.815 -11.163 1.00 94.42 C +ATOM 1520 O LEU A 192 -15.978 -3.929 -11.555 1.00 94.02 O +ATOM 1521 CB LEU A 192 -15.684 -2.317 -8.705 1.00 94.41 C +ATOM 1522 CG LEU A 192 -14.991 -2.281 -7.339 1.00 93.97 C +ATOM 1523 CD1 LEU A 192 -15.975 -1.808 -6.270 1.00 93.28 C +ATOM 1524 CD2 LEU A 192 -14.473 -3.665 -6.924 1.00 93.11 C +ATOM 1525 N LYS A 193 -15.980 -1.709 -11.766 1.00 94.15 N +ATOM 1526 CA LYS A 193 -16.948 -1.647 -12.875 1.00 93.82 C +ATOM 1527 C LYS A 193 -16.291 -1.715 -14.240 1.00 93.88 C +ATOM 1528 O LYS A 193 -16.826 -2.332 -15.148 1.00 92.91 O +ATOM 1529 CB LYS A 193 -17.767 -0.370 -12.685 1.00 92.90 C +ATOM 1530 CG LYS A 193 -18.991 -0.283 -13.565 1.00 88.29 C +ATOM 1531 CD LYS A 193 -19.783 0.970 -13.214 1.00 85.98 C +ATOM 1532 CE LYS A 193 -21.096 1.052 -13.971 1.00 79.01 C +ATOM 1533 NZ LYS A 193 -21.941 2.136 -13.463 1.00 73.45 N1+ +ATOM 1534 N GLU A 194 -15.165 -1.071 -14.417 1.00 93.72 N +ATOM 1535 CA GLU A 194 -14.525 -0.895 -15.736 1.00 93.48 C +ATOM 1536 C GLU A 194 -13.166 -1.569 -15.859 1.00 93.76 C +ATOM 1537 O GLU A 194 -12.546 -1.536 -16.929 1.00 92.42 O +ATOM 1538 CB GLU A 194 -14.388 0.599 -16.049 1.00 92.17 C +ATOM 1539 CG GLU A 194 -15.705 1.359 -16.018 1.00 85.20 C +ATOM 1540 CD GLU A 194 -15.535 2.823 -16.439 1.00 79.27 C +ATOM 1541 OE1 GLU A 194 -16.518 3.546 -16.464 1.00 67.92 O +ATOM 1542 OE2 GLU A 194 -14.388 3.203 -16.827 1.00 65.15 O +ATOM 1543 N TYR A 195 -12.682 -2.164 -14.804 1.00 93.28 N +ATOM 1544 CA TYR A 195 -11.343 -2.755 -14.708 1.00 93.12 C +ATOM 1545 C TYR A 195 -10.211 -1.782 -15.046 1.00 93.44 C +ATOM 1546 O TYR A 195 -9.127 -2.173 -15.481 1.00 92.28 O +ATOM 1547 CB TYR A 195 -11.273 -4.046 -15.520 1.00 91.88 C +ATOM 1548 CG TYR A 195 -12.347 -5.062 -15.170 1.00 89.17 C +ATOM 1549 CD1 TYR A 195 -12.088 -6.029 -14.180 1.00 85.46 C +ATOM 1550 CD2 TYR A 195 -13.601 -5.049 -15.818 1.00 83.03 C +ATOM 1551 CE1 TYR A 195 -13.056 -6.970 -13.825 1.00 78.43 C +ATOM 1552 CE2 TYR A 195 -14.582 -5.994 -15.471 1.00 79.61 C +ATOM 1553 CZ TYR A 195 -14.307 -6.949 -14.479 1.00 78.68 C +ATOM 1554 OH TYR A 195 -15.259 -7.884 -14.138 1.00 76.99 O +ATOM 1555 N LYS A 196 -10.454 -0.496 -14.819 1.00 93.94 N +ATOM 1556 CA LYS A 196 -9.484 0.575 -15.035 1.00 93.65 C +ATOM 1557 C LYS A 196 -8.823 0.963 -13.732 1.00 93.82 C +ATOM 1558 O LYS A 196 -9.489 1.179 -12.735 1.00 92.95 O +ATOM 1559 CB LYS A 196 -10.168 1.801 -15.654 1.00 92.90 C +ATOM 1560 CG LYS A 196 -10.633 1.589 -17.110 1.00 89.80 C +ATOM 1561 CD LYS A 196 -11.349 2.857 -17.568 1.00 87.10 C +ATOM 1562 CE LYS A 196 -12.029 2.717 -18.933 1.00 82.53 C +ATOM 1563 NZ LYS A 196 -13.055 3.792 -19.108 1.00 77.84 N1+ +ATOM 1564 N PHE A 197 -7.518 1.096 -13.782 1.00 94.08 N +ATOM 1565 CA PHE A 197 -6.701 1.516 -12.639 1.00 94.22 C +ATOM 1566 C PHE A 197 -5.940 2.781 -13.001 1.00 94.17 C +ATOM 1567 O PHE A 197 -5.012 2.739 -13.810 1.00 92.89 O +ATOM 1568 CB PHE A 197 -5.753 0.392 -12.255 1.00 93.30 C +ATOM 1569 CG PHE A 197 -6.452 -0.815 -11.669 1.00 91.20 C +ATOM 1570 CD1 PHE A 197 -6.531 -0.980 -10.279 1.00 87.16 C +ATOM 1571 CD2 PHE A 197 -7.047 -1.759 -12.511 1.00 88.59 C +ATOM 1572 CE1 PHE A 197 -7.232 -2.075 -9.744 1.00 87.72 C +ATOM 1573 CE2 PHE A 197 -7.761 -2.852 -11.987 1.00 87.19 C +ATOM 1574 CZ PHE A 197 -7.845 -3.005 -10.598 1.00 86.99 C +ATOM 1575 N TYR A 198 -6.334 3.861 -12.397 1.00 94.85 N +ATOM 1576 CA TYR A 198 -5.683 5.159 -12.461 1.00 94.68 C +ATOM 1577 C TYR A 198 -4.726 5.320 -11.280 1.00 94.77 C +ATOM 1578 O TYR A 198 -4.833 4.608 -10.281 1.00 94.18 O +ATOM 1579 CB TYR A 198 -6.740 6.266 -12.439 1.00 94.14 C +ATOM 1580 CG TYR A 198 -7.682 6.240 -13.623 1.00 93.48 C +ATOM 1581 CD1 TYR A 198 -7.462 7.088 -14.730 1.00 92.28 C +ATOM 1582 CD2 TYR A 198 -8.799 5.386 -13.637 1.00 91.16 C +ATOM 1583 CE1 TYR A 198 -8.338 7.069 -15.825 1.00 90.44 C +ATOM 1584 CE2 TYR A 198 -9.677 5.351 -14.733 1.00 91.34 C +ATOM 1585 CZ TYR A 198 -9.440 6.207 -15.818 1.00 91.15 C +ATOM 1586 OH TYR A 198 -10.297 6.174 -16.889 1.00 89.26 O +ATOM 1587 N TYR A 199 -3.875 6.334 -11.327 1.00 95.85 N +ATOM 1588 CA TYR A 199 -3.153 6.780 -10.126 1.00 95.77 C +ATOM 1589 C TYR A 199 -4.118 7.132 -8.986 1.00 95.84 C +ATOM 1590 O TYR A 199 -3.925 6.723 -7.847 1.00 95.44 O +ATOM 1591 CB TYR A 199 -2.287 7.990 -10.478 1.00 95.48 C +ATOM 1592 CG TYR A 199 -1.204 7.691 -11.493 1.00 95.10 C +ATOM 1593 CD1 TYR A 199 -0.134 6.838 -11.155 1.00 94.39 C +ATOM 1594 CD2 TYR A 199 -1.243 8.272 -12.774 1.00 94.13 C +ATOM 1595 CE1 TYR A 199 0.890 6.565 -12.083 1.00 93.56 C +ATOM 1596 CE2 TYR A 199 -0.231 8.011 -13.705 1.00 93.51 C +ATOM 1597 CZ TYR A 199 0.822 7.158 -13.351 1.00 93.53 C +ATOM 1598 OH TYR A 199 1.832 6.901 -14.268 1.00 92.38 O +ATOM 1599 N ALA A 200 -5.229 7.761 -9.328 1.00 95.27 N +ATOM 1600 CA ALA A 200 -6.293 8.059 -8.381 1.00 95.17 C +ATOM 1601 C ALA A 200 -6.973 6.821 -7.772 1.00 95.41 C +ATOM 1602 O ALA A 200 -7.628 6.934 -6.736 1.00 95.08 O +ATOM 1603 CB ALA A 200 -7.296 8.945 -9.101 1.00 94.69 C +ATOM 1604 N SER A 201 -6.839 5.645 -8.380 1.00 96.02 N +ATOM 1605 CA SER A 201 -7.344 4.402 -7.796 1.00 95.96 C +ATOM 1606 C SER A 201 -6.481 3.938 -6.615 1.00 96.07 C +ATOM 1607 O SER A 201 -7.021 3.440 -5.635 1.00 95.84 O +ATOM 1608 CB SER A 201 -7.428 3.286 -8.837 1.00 95.77 C +ATOM 1609 OG SER A 201 -8.083 3.737 -10.021 1.00 95.24 O +ATOM 1610 N ASP A 202 -5.185 4.192 -6.661 1.00 96.33 N +ATOM 1611 CA ASP A 202 -4.323 3.988 -5.492 1.00 96.29 C +ATOM 1612 C ASP A 202 -4.634 4.974 -4.369 1.00 96.34 C +ATOM 1613 O ASP A 202 -4.596 4.600 -3.200 1.00 96.04 O +ATOM 1614 CB ASP A 202 -2.852 4.115 -5.883 1.00 96.20 C +ATOM 1615 CG ASP A 202 -2.257 2.898 -6.574 1.00 95.99 C +ATOM 1616 OD1 ASP A 202 -2.820 1.786 -6.483 1.00 95.13 O +ATOM 1617 OD2 ASP A 202 -1.158 3.056 -7.158 1.00 94.64 O +ATOM 1618 N VAL A 203 -5.010 6.198 -4.714 1.00 96.10 N +ATOM 1619 CA VAL A 203 -5.460 7.194 -3.720 1.00 96.17 C +ATOM 1620 C VAL A 203 -6.726 6.727 -3.006 1.00 96.23 C +ATOM 1621 O VAL A 203 -6.833 6.884 -1.790 1.00 96.07 O +ATOM 1622 CB VAL A 203 -5.684 8.566 -4.369 1.00 96.13 C +ATOM 1623 CG1 VAL A 203 -4.375 9.114 -4.935 1.00 95.93 C +ATOM 1624 CG2 VAL A 203 -6.216 9.595 -3.358 1.00 95.99 C +ATOM 1625 N TRP A 204 -7.648 6.110 -3.719 1.00 96.05 N +ATOM 1626 CA TRP A 204 -8.800 5.469 -3.071 1.00 96.03 C +ATOM 1627 C TRP A 204 -8.353 4.391 -2.079 1.00 95.99 C +ATOM 1628 O TRP A 204 -8.768 4.397 -0.916 1.00 95.71 O +ATOM 1629 CB TRP A 204 -9.732 4.872 -4.124 1.00 96.05 C +ATOM 1630 CG TRP A 204 -10.930 4.171 -3.557 1.00 96.14 C +ATOM 1631 CD1 TRP A 204 -10.922 3.004 -2.868 1.00 95.75 C +ATOM 1632 CD2 TRP A 204 -12.318 4.603 -3.613 1.00 95.83 C +ATOM 1633 NE1 TRP A 204 -12.210 2.691 -2.473 1.00 95.51 N +ATOM 1634 CE2 TRP A 204 -13.098 3.653 -2.907 1.00 95.71 C +ATOM 1635 CE3 TRP A 204 -12.970 5.705 -4.198 1.00 95.75 C +ATOM 1636 CZ2 TRP A 204 -14.503 3.795 -2.755 1.00 95.40 C +ATOM 1637 CZ3 TRP A 204 -14.383 5.842 -4.057 1.00 95.45 C +ATOM 1638 CH2 TRP A 204 -15.116 4.892 -3.339 1.00 95.33 C +ATOM 1639 N SER A 205 -7.472 3.511 -2.506 1.00 95.97 N +ATOM 1640 CA SER A 205 -6.925 2.448 -1.646 1.00 95.86 C +ATOM 1641 C SER A 205 -6.188 3.019 -0.438 1.00 95.96 C +ATOM 1642 O SER A 205 -6.292 2.465 0.656 1.00 95.74 O +ATOM 1643 CB SER A 205 -5.978 1.554 -2.437 1.00 95.65 C +ATOM 1644 OG SER A 205 -6.624 1.038 -3.597 1.00 94.62 O +ATOM 1645 N PHE A 206 -5.503 4.138 -0.602 1.00 96.56 N +ATOM 1646 CA PHE A 206 -4.898 4.863 0.507 1.00 96.58 C +ATOM 1647 C PHE A 206 -5.940 5.354 1.509 1.00 96.61 C +ATOM 1648 O PHE A 206 -5.736 5.179 2.710 1.00 96.45 O +ATOM 1649 CB PHE A 206 -4.062 6.030 -0.012 1.00 96.59 C +ATOM 1650 CG PHE A 206 -3.587 6.930 1.103 1.00 96.63 C +ATOM 1651 CD1 PHE A 206 -2.559 6.511 1.958 1.00 96.34 C +ATOM 1652 CD2 PHE A 206 -4.240 8.149 1.361 1.00 96.37 C +ATOM 1653 CE1 PHE A 206 -2.185 7.280 3.073 1.00 96.11 C +ATOM 1654 CE2 PHE A 206 -3.880 8.930 2.474 1.00 96.09 C +ATOM 1655 CZ PHE A 206 -2.848 8.491 3.334 1.00 96.06 C +ATOM 1656 N GLY A 207 -7.053 5.882 1.068 1.00 96.39 N +ATOM 1657 CA GLY A 207 -8.146 6.246 1.970 1.00 96.31 C +ATOM 1658 C GLY A 207 -8.644 5.063 2.802 1.00 96.46 C +ATOM 1659 O GLY A 207 -8.845 5.187 4.007 1.00 96.24 O +ATOM 1660 N VAL A 208 -8.754 3.887 2.181 1.00 96.30 N +ATOM 1661 CA VAL A 208 -9.093 2.640 2.886 1.00 96.28 C +ATOM 1662 C VAL A 208 -7.965 2.203 3.826 1.00 96.25 C +ATOM 1663 O VAL A 208 -8.228 1.779 4.945 1.00 96.08 O +ATOM 1664 CB VAL A 208 -9.447 1.519 1.891 1.00 96.28 C +ATOM 1665 CG1 VAL A 208 -10.589 1.928 0.946 1.00 96.11 C +ATOM 1666 CG2 VAL A 208 -9.924 0.267 2.640 1.00 96.21 C +ATOM 1667 N THR A 209 -6.723 2.368 3.421 1.00 96.32 N +ATOM 1668 CA THR A 209 -5.565 2.095 4.288 1.00 96.31 C +ATOM 1669 C THR A 209 -5.539 3.034 5.489 1.00 96.34 C +ATOM 1670 O THR A 209 -5.330 2.577 6.608 1.00 96.15 O +ATOM 1671 CB THR A 209 -4.253 2.203 3.504 1.00 96.26 C +ATOM 1672 OG1 THR A 209 -4.296 1.368 2.374 1.00 95.76 O +ATOM 1673 CG2 THR A 209 -3.038 1.782 4.325 1.00 95.60 C +ATOM 1674 N LEU A 210 -5.804 4.303 5.285 1.00 96.75 N +ATOM 1675 CA LEU A 210 -5.901 5.280 6.363 1.00 96.66 C +ATOM 1676 C LEU A 210 -7.015 4.914 7.345 1.00 96.69 C +ATOM 1677 O LEU A 210 -6.800 4.973 8.563 1.00 96.57 O +ATOM 1678 CB LEU A 210 -6.090 6.678 5.747 1.00 96.55 C +ATOM 1679 CG LEU A 210 -6.123 7.829 6.759 1.00 95.94 C +ATOM 1680 CD1 LEU A 210 -6.296 9.153 6.014 1.00 95.41 C +ATOM 1681 CD2 LEU A 210 -4.846 7.925 7.597 1.00 94.93 C +ATOM 1682 N TYR A 211 -8.152 4.435 6.845 1.00 96.08 N +ATOM 1683 CA TYR A 211 -9.215 3.879 7.691 1.00 96.08 C +ATOM 1684 C TYR A 211 -8.709 2.687 8.514 1.00 96.02 C +ATOM 1685 O TYR A 211 -8.937 2.642 9.722 1.00 95.77 O +ATOM 1686 CB TYR A 211 -10.419 3.506 6.819 1.00 96.08 C +ATOM 1687 CG TYR A 211 -11.456 2.677 7.536 1.00 96.10 C +ATOM 1688 CD1 TYR A 211 -12.514 3.297 8.215 1.00 95.75 C +ATOM 1689 CD2 TYR A 211 -11.338 1.280 7.566 1.00 95.72 C +ATOM 1690 CE1 TYR A 211 -13.449 2.526 8.932 1.00 95.38 C +ATOM 1691 CE2 TYR A 211 -12.251 0.502 8.284 1.00 95.33 C +ATOM 1692 CZ TYR A 211 -13.308 1.130 8.965 1.00 95.31 C +ATOM 1693 OH TYR A 211 -14.206 0.369 9.689 1.00 94.81 O +ATOM 1694 N GLU A 212 -7.975 1.767 7.907 1.00 96.18 N +ATOM 1695 CA GLU A 212 -7.375 0.650 8.640 1.00 96.16 C +ATOM 1696 C GLU A 212 -6.442 1.116 9.765 1.00 96.17 C +ATOM 1697 O GLU A 212 -6.524 0.602 10.882 1.00 95.91 O +ATOM 1698 CB GLU A 212 -6.589 -0.269 7.692 1.00 95.93 C +ATOM 1699 CG GLU A 212 -7.462 -1.043 6.702 1.00 95.07 C +ATOM 1700 CD GLU A 212 -6.592 -1.948 5.837 1.00 94.73 C +ATOM 1701 OE1 GLU A 212 -6.448 -3.131 6.173 1.00 87.48 O +ATOM 1702 OE2 GLU A 212 -6.012 -1.474 4.844 1.00 86.93 O +ATOM 1703 N LEU A 213 -5.606 2.111 9.506 1.00 96.37 N +ATOM 1704 CA LEU A 213 -4.719 2.677 10.530 1.00 96.20 C +ATOM 1705 C LEU A 213 -5.519 3.242 11.695 1.00 96.25 C +ATOM 1706 O LEU A 213 -5.241 2.923 12.854 1.00 95.96 O +ATOM 1707 CB LEU A 213 -3.808 3.769 9.939 1.00 95.96 C +ATOM 1708 CG LEU A 213 -2.881 3.337 8.787 1.00 95.01 C +ATOM 1709 CD1 LEU A 213 -1.915 4.469 8.453 1.00 94.28 C +ATOM 1710 CD2 LEU A 213 -2.087 2.092 9.109 1.00 93.57 C +ATOM 1711 N LEU A 214 -6.529 4.038 11.408 1.00 96.14 N +ATOM 1712 CA LEU A 214 -7.339 4.697 12.438 1.00 96.04 C +ATOM 1713 C LEU A 214 -8.264 3.744 13.199 1.00 96.06 C +ATOM 1714 O LEU A 214 -8.728 4.101 14.270 1.00 95.62 O +ATOM 1715 CB LEU A 214 -8.110 5.857 11.800 1.00 95.64 C +ATOM 1716 CG LEU A 214 -7.367 7.213 11.746 1.00 94.21 C +ATOM 1717 CD1 LEU A 214 -6.052 7.142 10.992 1.00 93.04 C +ATOM 1718 CD2 LEU A 214 -7.105 7.779 13.137 1.00 91.62 C +ATOM 1719 N THR A 215 -8.497 2.556 12.689 1.00 95.54 N +ATOM 1720 CA THR A 215 -9.152 1.444 13.411 1.00 95.41 C +ATOM 1721 C THR A 215 -8.150 0.518 14.092 1.00 95.38 C +ATOM 1722 O THR A 215 -8.549 -0.513 14.629 1.00 95.10 O +ATOM 1723 CB THR A 215 -10.074 0.650 12.486 1.00 95.26 C +ATOM 1724 OG1 THR A 215 -9.367 0.129 11.384 1.00 94.97 O +ATOM 1725 CG2 THR A 215 -11.234 1.482 11.974 1.00 94.91 C +ATOM 1726 N HIS A 216 -6.881 0.835 14.059 1.00 95.82 N +ATOM 1727 CA HIS A 216 -5.788 -0.026 14.527 1.00 95.63 C +ATOM 1728 C HIS A 216 -5.813 -1.435 13.904 1.00 95.67 C +ATOM 1729 O HIS A 216 -5.418 -2.403 14.536 1.00 95.19 O +ATOM 1730 CB HIS A 216 -5.754 -0.059 16.057 1.00 95.11 C +ATOM 1731 CG HIS A 216 -5.397 1.261 16.682 1.00 93.77 C +ATOM 1732 ND1 HIS A 216 -4.127 1.624 17.109 1.00 89.42 N1+ +ATOM 1733 CD2 HIS A 216 -6.224 2.312 16.948 1.00 86.18 C +ATOM 1734 CE1 HIS A 216 -4.201 2.861 17.611 1.00 86.36 C +ATOM 1735 NE2 HIS A 216 -5.467 3.312 17.540 1.00 88.50 N +ATOM 1736 N CYS A 217 -6.274 -1.546 12.685 1.00 95.29 N +ATOM 1737 CA CYS A 217 -6.492 -2.820 11.997 1.00 95.12 C +ATOM 1738 C CYS A 217 -7.337 -3.828 12.796 1.00 94.97 C +ATOM 1739 O CYS A 217 -7.135 -5.042 12.677 1.00 94.39 O +ATOM 1740 CB CYS A 217 -5.168 -3.407 11.511 1.00 94.78 C +ATOM 1741 SG CYS A 217 -4.339 -2.320 10.335 1.00 94.12 S +ATOM 1742 N ASP A 218 -8.265 -3.350 13.588 1.00 94.88 N +ATOM 1743 CA ASP A 218 -9.236 -4.206 14.270 1.00 94.77 C +ATOM 1744 C ASP A 218 -10.042 -5.000 13.238 1.00 94.90 C +ATOM 1745 O ASP A 218 -10.719 -4.440 12.378 1.00 94.39 O +ATOM 1746 CB ASP A 218 -10.129 -3.357 15.164 1.00 94.23 C +ATOM 1747 CG ASP A 218 -11.206 -4.148 15.919 1.00 92.66 C +ATOM 1748 OD1 ASP A 218 -11.355 -5.364 15.665 1.00 89.25 O +ATOM 1749 OD2 ASP A 218 -11.942 -3.526 16.692 1.00 87.31 O +ATOM 1750 N SER A 219 -9.974 -6.325 13.336 1.00 93.77 N +ATOM 1751 CA SER A 219 -10.635 -7.229 12.390 1.00 93.75 C +ATOM 1752 C SER A 219 -12.165 -7.068 12.375 1.00 94.00 C +ATOM 1753 O SER A 219 -12.778 -7.236 11.323 1.00 92.88 O +ATOM 1754 CB SER A 219 -10.261 -8.671 12.726 1.00 92.62 C +ATOM 1755 OG SER A 219 -10.669 -9.019 14.030 1.00 88.65 O +ATOM 1756 N SER A 220 -12.758 -6.683 13.501 1.00 94.46 N +ATOM 1757 CA SER A 220 -14.197 -6.413 13.576 1.00 94.28 C +ATOM 1758 C SER A 220 -14.601 -5.147 12.817 1.00 94.44 C +ATOM 1759 O SER A 220 -15.764 -4.990 12.440 1.00 93.77 O +ATOM 1760 CB SER A 220 -14.633 -6.322 15.044 1.00 93.52 C +ATOM 1761 OG SER A 220 -14.202 -5.130 15.662 1.00 90.62 O +ATOM 1762 N GLN A 221 -13.672 -4.272 12.580 1.00 94.10 N +ATOM 1763 CA GLN A 221 -13.858 -3.005 11.857 1.00 94.23 C +ATOM 1764 C GLN A 221 -13.194 -2.981 10.486 1.00 94.58 C +ATOM 1765 O GLN A 221 -13.226 -1.955 9.820 1.00 93.78 O +ATOM 1766 CB GLN A 221 -13.357 -1.851 12.734 1.00 93.39 C +ATOM 1767 CG GLN A 221 -14.101 -1.740 14.050 1.00 90.00 C +ATOM 1768 CD GLN A 221 -13.686 -0.493 14.838 1.00 87.87 C +ATOM 1769 OE1 GLN A 221 -13.885 0.623 14.391 1.00 80.68 O +ATOM 1770 NE2 GLN A 221 -13.094 -0.663 15.983 1.00 77.52 N +ATOM 1771 N SER A 222 -12.611 -4.077 10.050 1.00 94.80 N +ATOM 1772 CA SER A 222 -11.908 -4.148 8.775 1.00 94.82 C +ATOM 1773 C SER A 222 -12.811 -3.776 7.590 1.00 94.98 C +ATOM 1774 O SER A 222 -14.017 -3.981 7.658 1.00 94.61 O +ATOM 1775 CB SER A 222 -11.301 -5.542 8.569 1.00 94.31 C +ATOM 1776 OG SER A 222 -12.319 -6.505 8.321 1.00 92.75 O +ATOM 1777 N PRO A 223 -12.257 -3.281 6.486 1.00 94.99 N +ATOM 1778 CA PRO A 223 -13.052 -2.952 5.302 1.00 95.09 C +ATOM 1779 C PRO A 223 -13.931 -4.110 4.810 1.00 95.18 C +ATOM 1780 O PRO A 223 -15.129 -3.886 4.620 1.00 95.01 O +ATOM 1781 CB PRO A 223 -12.043 -2.485 4.248 1.00 94.94 C +ATOM 1782 CG PRO A 223 -10.884 -1.957 5.091 1.00 94.52 C +ATOM 1783 CD PRO A 223 -10.884 -2.870 6.317 1.00 95.25 C +ATOM 1784 N PRO A 224 -13.457 -5.363 4.708 1.00 94.27 N +ATOM 1785 CA PRO A 224 -14.324 -6.484 4.347 1.00 94.11 C +ATOM 1786 C PRO A 224 -15.488 -6.677 5.319 1.00 94.17 C +ATOM 1787 O PRO A 224 -16.625 -6.840 4.879 1.00 93.83 O +ATOM 1788 CB PRO A 224 -13.427 -7.725 4.334 1.00 93.72 C +ATOM 1789 CG PRO A 224 -12.037 -7.167 4.066 1.00 93.03 C +ATOM 1790 CD PRO A 224 -12.065 -5.829 4.789 1.00 94.00 C +ATOM 1791 N THR A 225 -15.216 -6.617 6.616 1.00 94.77 N +ATOM 1792 CA THR A 225 -16.260 -6.791 7.641 1.00 94.52 C +ATOM 1793 C THR A 225 -17.335 -5.713 7.522 1.00 94.75 C +ATOM 1794 O THR A 225 -18.509 -6.036 7.407 1.00 94.32 O +ATOM 1795 CB THR A 225 -15.650 -6.790 9.052 1.00 93.94 C +ATOM 1796 OG1 THR A 225 -14.709 -7.834 9.164 1.00 90.93 O +ATOM 1797 CG2 THR A 225 -16.688 -6.995 10.153 1.00 89.76 C +ATOM 1798 N LYS A 226 -16.936 -4.459 7.452 1.00 94.13 N +ATOM 1799 CA LYS A 226 -17.863 -3.334 7.364 1.00 94.05 C +ATOM 1800 C LYS A 226 -18.662 -3.299 6.069 1.00 94.20 C +ATOM 1801 O LYS A 226 -19.852 -3.060 6.095 1.00 93.62 O +ATOM 1802 CB LYS A 226 -17.096 -2.014 7.568 1.00 93.46 C +ATOM 1803 CG LYS A 226 -16.652 -1.822 9.042 1.00 90.92 C +ATOM 1804 CD LYS A 226 -17.847 -1.718 9.969 1.00 88.60 C +ATOM 1805 CE LYS A 226 -17.457 -1.711 11.439 1.00 85.22 C +ATOM 1806 NZ LYS A 226 -18.582 -2.257 12.275 1.00 80.85 N1+ +ATOM 1807 N PHE A 227 -18.032 -3.582 4.947 1.00 93.91 N +ATOM 1808 CA PHE A 227 -18.756 -3.644 3.685 1.00 93.98 C +ATOM 1809 C PHE A 227 -19.718 -4.841 3.622 1.00 93.94 C +ATOM 1810 O PHE A 227 -20.829 -4.675 3.165 1.00 93.79 O +ATOM 1811 CB PHE A 227 -17.781 -3.654 2.521 1.00 94.08 C +ATOM 1812 CG PHE A 227 -17.178 -2.294 2.181 1.00 94.42 C +ATOM 1813 CD1 PHE A 227 -18.015 -1.201 1.920 1.00 93.98 C +ATOM 1814 CD2 PHE A 227 -15.785 -2.134 2.075 1.00 94.04 C +ATOM 1815 CE1 PHE A 227 -17.473 0.043 1.551 1.00 93.59 C +ATOM 1816 CE2 PHE A 227 -15.240 -0.893 1.705 1.00 93.61 C +ATOM 1817 CZ PHE A 227 -16.082 0.196 1.451 1.00 93.64 C +ATOM 1818 N LEU A 228 -19.319 -6.005 4.128 1.00 93.28 N +ATOM 1819 CA LEU A 228 -20.214 -7.154 4.170 1.00 93.30 C +ATOM 1820 C LEU A 228 -21.411 -6.943 5.120 1.00 93.21 C +ATOM 1821 O LEU A 228 -22.509 -7.371 4.776 1.00 92.76 O +ATOM 1822 CB LEU A 228 -19.435 -8.419 4.550 1.00 93.11 C +ATOM 1823 CG LEU A 228 -18.508 -8.936 3.437 1.00 92.16 C +ATOM 1824 CD1 LEU A 228 -17.633 -10.067 3.983 1.00 91.08 C +ATOM 1825 CD2 LEU A 228 -19.300 -9.502 2.226 1.00 90.33 C +ATOM 1826 N GLU A 229 -21.245 -6.216 6.206 1.00 92.95 N +ATOM 1827 CA GLU A 229 -22.369 -5.779 7.045 1.00 92.69 C +ATOM 1828 C GLU A 229 -23.359 -4.905 6.281 1.00 92.73 C +ATOM 1829 O GLU A 229 -24.568 -5.043 6.467 1.00 91.77 O +ATOM 1830 CB GLU A 229 -21.830 -4.997 8.269 1.00 91.90 C +ATOM 1831 CG GLU A 229 -21.200 -5.877 9.359 1.00 88.26 C +ATOM 1832 CD GLU A 229 -20.449 -5.067 10.449 1.00 87.01 C +ATOM 1833 OE1 GLU A 229 -19.696 -5.681 11.224 1.00 79.71 O +ATOM 1834 OE2 GLU A 229 -20.606 -3.822 10.527 1.00 76.37 O +ATOM 1835 N LEU A 230 -22.875 -4.066 5.380 1.00 90.61 N +ATOM 1836 CA LEU A 230 -23.717 -3.157 4.596 1.00 90.43 C +ATOM 1837 C LEU A 230 -24.408 -3.833 3.395 1.00 90.59 C +ATOM 1838 O LEU A 230 -25.507 -3.466 3.039 1.00 89.46 O +ATOM 1839 CB LEU A 230 -22.835 -1.986 4.122 1.00 89.49 C +ATOM 1840 CG LEU A 230 -22.364 -1.026 5.236 1.00 86.63 C +ATOM 1841 CD1 LEU A 230 -21.374 -0.023 4.654 1.00 84.91 C +ATOM 1842 CD2 LEU A 230 -23.523 -0.244 5.848 1.00 84.46 C +ATOM 1843 N ILE A 231 -23.747 -4.779 2.752 1.00 90.27 N +ATOM 1844 CA ILE A 231 -24.270 -5.428 1.533 1.00 89.90 C +ATOM 1845 C ILE A 231 -24.940 -6.769 1.814 1.00 89.54 C +ATOM 1846 O ILE A 231 -25.618 -7.319 0.940 1.00 87.56 O +ATOM 1847 CB ILE A 231 -23.179 -5.557 0.445 1.00 89.13 C +ATOM 1848 CG1 ILE A 231 -22.103 -6.589 0.799 1.00 88.08 C +ATOM 1849 CG2 ILE A 231 -22.601 -4.183 0.110 1.00 87.52 C +ATOM 1850 CD1 ILE A 231 -20.986 -6.755 -0.264 1.00 83.11 C +ATOM 1851 N GLY A 232 -24.778 -7.298 3.013 1.00 83.85 N +ATOM 1852 CA GLY A 232 -25.190 -8.648 3.390 1.00 83.28 C +ATOM 1853 C GLY A 232 -24.224 -9.718 2.848 1.00 83.89 C +ATOM 1854 O GLY A 232 -23.361 -9.470 2.021 1.00 81.39 O +ATOM 1855 N ILE A 233 -24.408 -10.925 3.326 1.00 77.52 N +ATOM 1856 CA ILE A 233 -23.545 -12.046 2.923 1.00 76.80 C +ATOM 1857 C ILE A 233 -23.719 -12.310 1.413 1.00 77.52 C +ATOM 1858 O ILE A 233 -24.807 -12.581 0.926 1.00 73.90 O +ATOM 1859 CB ILE A 233 -23.885 -13.326 3.739 1.00 72.88 C +ATOM 1860 CG1 ILE A 233 -23.666 -13.080 5.226 1.00 70.35 C +ATOM 1861 CG2 ILE A 233 -23.010 -14.511 3.248 1.00 69.01 C +ATOM 1862 CD1 ILE A 233 -24.077 -14.260 6.134 1.00 64.81 C +ATOM 1863 N ALA A 234 -22.605 -12.188 0.698 1.00 72.05 N +ATOM 1864 CA ALA A 234 -22.538 -12.446 -0.724 1.00 70.31 C +ATOM 1865 C ALA A 234 -21.206 -13.120 -1.044 1.00 71.72 C +ATOM 1866 O ALA A 234 -20.244 -13.056 -0.300 1.00 67.81 O +ATOM 1867 CB ALA A 234 -22.742 -11.135 -1.470 1.00 64.72 C +ATOM 1868 N GLN A 235 -21.149 -13.770 -2.190 1.00 69.42 N +ATOM 1869 CA GLN A 235 -19.969 -14.496 -2.657 1.00 69.42 C +ATOM 1870 C GLN A 235 -19.650 -14.107 -4.106 1.00 70.04 C +ATOM 1871 O GLN A 235 -20.550 -13.817 -4.894 1.00 65.46 O +ATOM 1872 CB GLN A 235 -20.226 -16.013 -2.552 1.00 64.23 C +ATOM 1873 CG GLN A 235 -20.295 -16.512 -1.101 1.00 59.30 C +ATOM 1874 CD GLN A 235 -18.925 -16.706 -0.438 1.00 54.58 C +ATOM 1875 OE1 GLN A 235 -17.952 -16.951 -1.093 1.00 46.05 O +ATOM 1876 NE2 GLN A 235 -18.854 -16.636 0.858 1.00 46.93 N +ATOM 1877 N GLY A 236 -18.357 -14.108 -4.429 1.00 74.00 N +ATOM 1878 CA GLY A 236 -17.880 -13.929 -5.798 1.00 74.45 C +ATOM 1879 C GLY A 236 -18.384 -12.652 -6.468 1.00 76.98 C +ATOM 1880 O GLY A 236 -18.345 -11.578 -5.877 1.00 73.87 O +ATOM 1881 N GLN A 237 -18.911 -12.768 -7.669 1.00 82.64 N +ATOM 1882 CA GLN A 237 -19.396 -11.631 -8.469 1.00 83.31 C +ATOM 1883 C GLN A 237 -20.532 -10.869 -7.797 1.00 84.63 C +ATOM 1884 O GLN A 237 -20.637 -9.658 -7.979 1.00 82.07 O +ATOM 1885 CB GLN A 237 -19.841 -12.108 -9.838 1.00 79.28 C +ATOM 1886 CG GLN A 237 -18.676 -12.569 -10.721 1.00 72.03 C +ATOM 1887 CD GLN A 237 -19.120 -12.916 -12.142 1.00 67.88 C +ATOM 1888 OE1 GLN A 237 -20.304 -13.048 -12.427 1.00 58.71 O +ATOM 1889 NE2 GLN A 237 -18.203 -13.072 -13.047 1.00 57.06 N +ATOM 1890 N MET A 238 -21.358 -11.523 -7.008 1.00 88.14 N +ATOM 1891 CA MET A 238 -22.456 -10.873 -6.300 1.00 89.04 C +ATOM 1892 C MET A 238 -21.938 -9.888 -5.248 1.00 89.90 C +ATOM 1893 O MET A 238 -22.555 -8.838 -5.053 1.00 88.37 O +ATOM 1894 CB MET A 238 -23.358 -11.913 -5.660 1.00 87.36 C +ATOM 1895 CG MET A 238 -24.720 -11.328 -5.298 1.00 81.19 C +ATOM 1896 SD MET A 238 -25.674 -10.778 -6.729 1.00 77.89 S +ATOM 1897 CE MET A 238 -27.163 -10.253 -5.892 1.00 69.01 C +ATOM 1898 N THR A 239 -20.807 -10.161 -4.623 1.00 91.19 N +ATOM 1899 CA THR A 239 -20.136 -9.223 -3.706 1.00 91.62 C +ATOM 1900 C THR A 239 -19.684 -7.981 -4.450 1.00 92.03 C +ATOM 1901 O THR A 239 -19.957 -6.872 -3.994 1.00 91.45 O +ATOM 1902 CB THR A 239 -18.940 -9.881 -3.025 1.00 91.12 C +ATOM 1903 OG1 THR A 239 -19.378 -11.025 -2.331 1.00 89.99 O +ATOM 1904 CG2 THR A 239 -18.239 -8.980 -2.010 1.00 89.70 C +ATOM 1905 N VAL A 240 -19.059 -8.146 -5.595 1.00 93.05 N +ATOM 1906 CA VAL A 240 -18.578 -7.017 -6.406 1.00 93.07 C +ATOM 1907 C VAL A 240 -19.729 -6.162 -6.904 1.00 93.29 C +ATOM 1908 O VAL A 240 -19.671 -4.939 -6.800 1.00 92.90 O +ATOM 1909 CB VAL A 240 -17.730 -7.525 -7.583 1.00 92.53 C +ATOM 1910 CG1 VAL A 240 -16.513 -8.283 -7.074 1.00 90.90 C +ATOM 1911 CG2 VAL A 240 -17.238 -6.376 -8.453 1.00 90.46 C +ATOM 1912 N LEU A 241 -20.822 -6.782 -7.367 1.00 92.96 N +ATOM 1913 CA LEU A 241 -21.999 -6.069 -7.810 1.00 92.97 C +ATOM 1914 C LEU A 241 -22.618 -5.221 -6.705 1.00 93.38 C +ATOM 1915 O LEU A 241 -22.768 -4.004 -6.856 1.00 92.64 O +ATOM 1916 CB LEU A 241 -23.011 -7.097 -8.351 1.00 91.93 C +ATOM 1917 CG LEU A 241 -24.289 -6.476 -8.962 1.00 85.73 C +ATOM 1918 CD1 LEU A 241 -25.349 -7.538 -9.172 1.00 82.22 C +ATOM 1919 CD2 LEU A 241 -23.995 -5.793 -10.277 1.00 79.13 C +ATOM 1920 N ARG A 242 -22.868 -5.809 -5.559 1.00 92.36 N +ATOM 1921 CA ARG A 242 -23.453 -5.101 -4.411 1.00 92.30 C +ATOM 1922 C ARG A 242 -22.534 -4.033 -3.845 1.00 92.92 C +ATOM 1923 O ARG A 242 -22.999 -2.972 -3.443 1.00 92.62 O +ATOM 1924 CB ARG A 242 -23.817 -6.101 -3.319 1.00 91.60 C +ATOM 1925 CG ARG A 242 -24.989 -6.969 -3.662 1.00 87.47 C +ATOM 1926 CD ARG A 242 -25.251 -7.898 -2.474 1.00 85.26 C +ATOM 1927 NE ARG A 242 -26.355 -8.820 -2.720 1.00 79.72 N +ATOM 1928 CZ ARG A 242 -26.899 -9.621 -1.816 1.00 74.98 C +ATOM 1929 NH1 ARG A 242 -26.478 -9.646 -0.592 1.00 71.13 N +ATOM 1930 NH2 ARG A 242 -27.874 -10.410 -2.164 1.00 70.84 N1+ +ATOM 1931 N LEU A 243 -21.240 -4.279 -3.809 1.00 94.32 N +ATOM 1932 CA LEU A 243 -20.258 -3.277 -3.401 1.00 94.27 C +ATOM 1933 C LEU A 243 -20.272 -2.096 -4.366 1.00 94.24 C +ATOM 1934 O LEU A 243 -20.299 -0.949 -3.912 1.00 94.16 O +ATOM 1935 CB LEU A 243 -18.877 -3.946 -3.321 1.00 94.33 C +ATOM 1936 CG LEU A 243 -17.744 -2.998 -2.924 1.00 93.98 C +ATOM 1937 CD1 LEU A 243 -16.432 -3.786 -2.885 1.00 93.47 C +ATOM 1938 CD2 LEU A 243 -17.960 -2.366 -1.556 1.00 93.22 C +ATOM 1939 N THR A 244 -20.309 -2.348 -5.660 1.00 94.16 N +ATOM 1940 CA THR A 244 -20.394 -1.287 -6.686 1.00 94.12 C +ATOM 1941 C THR A 244 -21.649 -0.450 -6.504 1.00 94.08 C +ATOM 1942 O THR A 244 -21.572 0.769 -6.415 1.00 93.58 O +ATOM 1943 CB THR A 244 -20.351 -1.883 -8.102 1.00 93.81 C +ATOM 1944 OG1 THR A 244 -19.195 -2.653 -8.272 1.00 92.70 O +ATOM 1945 CG2 THR A 244 -20.319 -0.803 -9.175 1.00 92.08 C +ATOM 1946 N GLU A 245 -22.801 -1.077 -6.351 1.00 94.26 N +ATOM 1947 CA GLU A 245 -24.083 -0.389 -6.105 1.00 93.90 C +ATOM 1948 C GLU A 245 -24.065 0.436 -4.814 1.00 93.87 C +ATOM 1949 O GLU A 245 -24.611 1.548 -4.770 1.00 93.02 O +ATOM 1950 CB GLU A 245 -25.196 -1.429 -6.015 1.00 93.08 C +ATOM 1951 CG GLU A 245 -25.560 -2.071 -7.342 1.00 87.91 C +ATOM 1952 CD GLU A 245 -26.541 -3.259 -7.178 1.00 85.36 C +ATOM 1953 OE1 GLU A 245 -26.828 -3.919 -8.216 1.00 76.72 O +ATOM 1954 OE2 GLU A 245 -27.016 -3.506 -6.059 1.00 75.06 O +ATOM 1955 N LEU A 246 -23.429 -0.074 -3.773 1.00 94.48 N +ATOM 1956 CA LEU A 246 -23.287 0.622 -2.494 1.00 94.39 C +ATOM 1957 C LEU A 246 -22.450 1.890 -2.651 1.00 94.48 C +ATOM 1958 O LEU A 246 -22.855 2.955 -2.193 1.00 93.86 O +ATOM 1959 CB LEU A 246 -22.706 -0.367 -1.469 1.00 93.72 C +ATOM 1960 CG LEU A 246 -22.536 0.218 -0.060 1.00 91.13 C +ATOM 1961 CD1 LEU A 246 -21.129 0.725 0.191 1.00 88.99 C +ATOM 1962 CD2 LEU A 246 -22.838 -0.844 0.980 1.00 87.39 C +ATOM 1963 N LEU A 247 -21.307 1.781 -3.317 1.00 94.60 N +ATOM 1964 CA LEU A 247 -20.429 2.917 -3.566 1.00 94.57 C +ATOM 1965 C LEU A 247 -21.069 3.952 -4.502 1.00 94.34 C +ATOM 1966 O LEU A 247 -20.918 5.146 -4.244 1.00 93.99 O +ATOM 1967 CB LEU A 247 -19.100 2.412 -4.143 1.00 94.78 C +ATOM 1968 CG LEU A 247 -18.258 1.570 -3.178 1.00 94.92 C +ATOM 1969 CD1 LEU A 247 -16.991 1.110 -3.884 1.00 94.51 C +ATOM 1970 CD2 LEU A 247 -17.859 2.312 -1.902 1.00 94.45 C +ATOM 1971 N GLU A 248 -21.817 3.532 -5.511 1.00 94.30 N +ATOM 1972 CA GLU A 248 -22.576 4.417 -6.403 1.00 93.99 C +ATOM 1973 C GLU A 248 -23.698 5.188 -5.680 1.00 93.75 C +ATOM 1974 O GLU A 248 -23.962 6.330 -6.044 1.00 92.42 O +ATOM 1975 CB GLU A 248 -23.154 3.625 -7.590 1.00 93.08 C +ATOM 1976 CG GLU A 248 -22.071 3.269 -8.600 1.00 88.27 C +ATOM 1977 CD GLU A 248 -22.593 2.542 -9.861 1.00 85.47 C +ATOM 1978 OE1 GLU A 248 -21.787 2.479 -10.840 1.00 74.06 O +ATOM 1979 OE2 GLU A 248 -23.731 2.058 -9.891 1.00 72.12 O +ATOM 1980 N ARG A 249 -24.291 4.634 -4.658 1.00 94.69 N +ATOM 1981 CA ARG A 249 -25.222 5.360 -3.781 1.00 94.21 C +ATOM 1982 C ARG A 249 -24.538 6.364 -2.846 1.00 94.11 C +ATOM 1983 O ARG A 249 -25.201 7.063 -2.103 1.00 93.17 O +ATOM 1984 CB ARG A 249 -26.059 4.375 -2.979 1.00 93.40 C +ATOM 1985 CG ARG A 249 -27.074 3.611 -3.823 1.00 89.64 C +ATOM 1986 CD ARG A 249 -28.024 2.797 -2.971 1.00 87.04 C +ATOM 1987 NE ARG A 249 -27.369 1.881 -1.999 1.00 82.97 N +ATOM 1988 CZ ARG A 249 -27.057 0.613 -2.165 1.00 80.07 C +ATOM 1989 NH1 ARG A 249 -27.288 -0.008 -3.290 1.00 75.96 N +ATOM 1990 NH2 ARG A 249 -26.552 -0.064 -1.201 1.00 76.39 N1+ +ATOM 1991 N GLY A 250 -23.228 6.439 -2.865 1.00 94.34 N +ATOM 1992 CA GLY A 250 -22.436 7.344 -2.027 1.00 94.24 C +ATOM 1993 C GLY A 250 -22.130 6.818 -0.629 1.00 94.52 C +ATOM 1994 O GLY A 250 -21.576 7.563 0.187 1.00 93.95 O +ATOM 1995 N GLU A 251 -22.472 5.577 -0.327 1.00 94.68 N +ATOM 1996 CA GLU A 251 -22.129 4.971 0.952 1.00 94.59 C +ATOM 1997 C GLU A 251 -20.625 4.730 1.046 1.00 94.87 C +ATOM 1998 O GLU A 251 -19.950 4.422 0.066 1.00 94.37 O +ATOM 1999 CB GLU A 251 -22.910 3.675 1.182 1.00 93.89 C +ATOM 2000 CG GLU A 251 -24.427 3.953 1.379 1.00 90.68 C +ATOM 2001 CD GLU A 251 -25.198 2.671 1.715 1.00 88.50 C +ATOM 2002 OE1 GLU A 251 -26.135 2.323 0.969 1.00 78.54 O +ATOM 2003 OE2 GLU A 251 -24.826 2.011 2.718 1.00 75.90 O +ATOM 2004 N ARG A 252 -20.077 4.885 2.236 1.00 93.97 N +ATOM 2005 CA ARG A 252 -18.632 4.750 2.520 1.00 94.08 C +ATOM 2006 C ARG A 252 -18.415 4.050 3.850 1.00 94.03 C +ATOM 2007 O ARG A 252 -19.329 3.907 4.651 1.00 93.61 O +ATOM 2008 CB ARG A 252 -17.987 6.160 2.535 1.00 94.09 C +ATOM 2009 CG ARG A 252 -18.038 6.913 1.193 1.00 94.15 C +ATOM 2010 CD ARG A 252 -17.273 6.200 0.084 1.00 94.02 C +ATOM 2011 NE ARG A 252 -17.273 6.961 -1.156 1.00 93.75 N +ATOM 2012 CZ ARG A 252 -18.100 6.838 -2.183 1.00 93.61 C +ATOM 2013 NH1 ARG A 252 -19.108 6.011 -2.153 1.00 93.16 N +ATOM 2014 NH2 ARG A 252 -17.954 7.573 -3.236 1.00 93.16 N1+ +ATOM 2015 N LEU A 253 -17.161 3.650 4.099 1.00 94.90 N +ATOM 2016 CA LEU A 253 -16.741 3.188 5.410 1.00 94.93 C +ATOM 2017 C LEU A 253 -17.071 4.271 6.478 1.00 94.91 C +ATOM 2018 O LEU A 253 -16.896 5.453 6.197 1.00 94.62 O +ATOM 2019 CB LEU A 253 -15.250 2.861 5.409 1.00 94.90 C +ATOM 2020 CG LEU A 253 -14.882 1.607 4.605 1.00 94.67 C +ATOM 2021 CD1 LEU A 253 -13.365 1.499 4.486 1.00 94.25 C +ATOM 2022 CD2 LEU A 253 -15.380 0.328 5.302 1.00 94.11 C +ATOM 2023 N PRO A 254 -17.520 3.879 7.684 1.00 95.60 N +ATOM 2024 CA PRO A 254 -17.860 4.822 8.736 1.00 95.44 C +ATOM 2025 C PRO A 254 -16.612 5.504 9.291 1.00 95.57 C +ATOM 2026 O PRO A 254 -15.503 5.009 9.160 1.00 95.18 O +ATOM 2027 CB PRO A 254 -18.575 3.985 9.799 1.00 94.99 C +ATOM 2028 CG PRO A 254 -17.917 2.615 9.662 1.00 94.04 C +ATOM 2029 CD PRO A 254 -17.663 2.510 8.155 1.00 94.66 C +ATOM 2030 N ARG A 255 -16.804 6.607 9.979 1.00 95.14 N +ATOM 2031 CA ARG A 255 -15.720 7.261 10.725 1.00 95.01 C +ATOM 2032 C ARG A 255 -15.254 6.339 11.861 1.00 94.88 C +ATOM 2033 O ARG A 255 -16.073 5.967 12.680 1.00 94.48 O +ATOM 2034 CB ARG A 255 -16.210 8.603 11.237 1.00 94.65 C +ATOM 2035 CG ARG A 255 -15.142 9.347 12.042 1.00 93.40 C +ATOM 2036 CD ARG A 255 -15.649 10.708 12.466 1.00 92.05 C +ATOM 2037 NE ARG A 255 -14.766 11.338 13.454 1.00 89.90 N +ATOM 2038 CZ ARG A 255 -15.005 12.433 14.159 1.00 88.53 C +ATOM 2039 NH1 ARG A 255 -16.107 13.103 14.007 1.00 86.67 N +ATOM 2040 NH2 ARG A 255 -14.158 12.861 15.045 1.00 87.35 N1+ +ATOM 2041 N PRO A 256 -13.948 5.991 11.939 1.00 94.60 N +ATOM 2042 CA PRO A 256 -13.408 5.236 13.054 1.00 94.58 C +ATOM 2043 C PRO A 256 -13.564 5.978 14.386 1.00 94.61 C +ATOM 2044 O PRO A 256 -13.511 7.208 14.421 1.00 94.19 O +ATOM 2045 CB PRO A 256 -11.937 5.008 12.734 1.00 94.41 C +ATOM 2046 CG PRO A 256 -11.896 5.114 11.213 1.00 93.91 C +ATOM 2047 CD PRO A 256 -12.925 6.182 10.916 1.00 94.73 C +ATOM 2048 N ASP A 257 -13.670 5.231 15.460 1.00 92.99 N +ATOM 2049 CA ASP A 257 -13.621 5.808 16.804 1.00 92.63 C +ATOM 2050 C ASP A 257 -12.327 6.583 17.018 1.00 92.86 C +ATOM 2051 O ASP A 257 -11.261 6.146 16.629 1.00 91.80 O +ATOM 2052 CB ASP A 257 -13.753 4.721 17.868 1.00 91.16 C +ATOM 2053 CG ASP A 257 -15.195 4.290 18.147 1.00 84.43 C +ATOM 2054 OD1 ASP A 257 -16.127 4.989 17.692 1.00 77.52 O +ATOM 2055 OD2 ASP A 257 -15.335 3.305 18.906 1.00 76.50 O +ATOM 2056 N LYS A 258 -12.408 7.702 17.643 1.00 91.49 N +ATOM 2057 CA LYS A 258 -11.300 8.624 17.894 1.00 91.25 C +ATOM 2058 C LYS A 258 -10.615 9.188 16.637 1.00 91.79 C +ATOM 2059 O LYS A 258 -9.675 9.966 16.783 1.00 90.38 O +ATOM 2060 CB LYS A 258 -10.261 7.992 18.849 1.00 89.51 C +ATOM 2061 CG LYS A 258 -10.876 7.368 20.110 1.00 83.03 C +ATOM 2062 CD LYS A 258 -9.801 6.606 20.885 1.00 77.48 C +ATOM 2063 CE LYS A 258 -10.433 5.892 22.077 1.00 70.53 C +ATOM 2064 NZ LYS A 258 -9.443 5.053 22.795 1.00 63.38 N1+ +ATOM 2065 N CYS A 259 -11.063 8.863 15.455 1.00 94.43 N +ATOM 2066 CA CYS A 259 -10.616 9.552 14.263 1.00 94.56 C +ATOM 2067 C CYS A 259 -11.094 11.007 14.258 1.00 94.68 C +ATOM 2068 O CYS A 259 -12.304 11.231 14.303 1.00 94.26 O +ATOM 2069 CB CYS A 259 -11.119 8.804 13.035 1.00 94.27 C +ATOM 2070 SG CYS A 259 -10.598 9.601 11.504 1.00 93.50 S +ATOM 2071 N PRO A 260 -10.197 12.003 14.184 1.00 94.86 N +ATOM 2072 CA PRO A 260 -10.597 13.399 14.073 1.00 94.73 C +ATOM 2073 C PRO A 260 -11.472 13.648 12.847 1.00 94.91 C +ATOM 2074 O PRO A 260 -11.273 13.007 11.805 1.00 94.50 O +ATOM 2075 CB PRO A 260 -9.295 14.201 14.017 1.00 94.17 C +ATOM 2076 CG PRO A 260 -8.282 13.276 14.685 1.00 92.88 C +ATOM 2077 CD PRO A 260 -8.747 11.894 14.263 1.00 93.60 C +ATOM 2078 N ALA A 261 -12.366 14.586 12.926 1.00 95.33 N +ATOM 2079 CA ALA A 261 -13.269 14.885 11.819 1.00 95.24 C +ATOM 2080 C ALA A 261 -12.511 15.306 10.538 1.00 95.39 C +ATOM 2081 O ALA A 261 -12.890 14.870 9.457 1.00 95.05 O +ATOM 2082 CB ALA A 261 -14.238 15.968 12.268 1.00 94.74 C +ATOM 2083 N GLU A 262 -11.446 16.080 10.673 1.00 95.00 N +ATOM 2084 CA GLU A 262 -10.605 16.507 9.566 1.00 94.80 C +ATOM 2085 C GLU A 262 -9.921 15.324 8.872 1.00 95.17 C +ATOM 2086 O GLU A 262 -9.854 15.294 7.652 1.00 94.53 O +ATOM 2087 CB GLU A 262 -9.622 17.576 10.052 1.00 93.89 C +ATOM 2088 CG GLU A 262 -8.576 17.096 11.061 1.00 86.94 C +ATOM 2089 CD GLU A 262 -7.800 18.224 11.767 1.00 83.75 C +ATOM 2090 OE1 GLU A 262 -7.348 17.984 12.902 1.00 71.74 O +ATOM 2091 OE2 GLU A 262 -7.699 19.351 11.222 1.00 68.60 O +ATOM 2092 N VAL A 263 -9.473 14.335 9.619 1.00 95.68 N +ATOM 2093 CA VAL A 263 -8.853 13.123 9.064 1.00 95.75 C +ATOM 2094 C VAL A 263 -9.890 12.266 8.355 1.00 95.85 C +ATOM 2095 O VAL A 263 -9.624 11.742 7.276 1.00 95.73 O +ATOM 2096 CB VAL A 263 -8.126 12.321 10.160 1.00 95.60 C +ATOM 2097 CG1 VAL A 263 -7.044 13.160 10.848 1.00 95.13 C +ATOM 2098 CG2 VAL A 263 -7.437 11.079 9.575 1.00 95.09 C +ATOM 2099 N TYR A 264 -11.084 12.152 8.899 1.00 95.95 N +ATOM 2100 CA TYR A 264 -12.163 11.465 8.193 1.00 95.92 C +ATOM 2101 C TYR A 264 -12.591 12.184 6.919 1.00 95.85 C +ATOM 2102 O TYR A 264 -12.880 11.560 5.904 1.00 95.56 O +ATOM 2103 CB TYR A 264 -13.342 11.269 9.136 1.00 95.86 C +ATOM 2104 CG TYR A 264 -14.443 10.429 8.508 1.00 95.78 C +ATOM 2105 CD1 TYR A 264 -14.162 9.107 8.095 1.00 95.41 C +ATOM 2106 CD2 TYR A 264 -15.733 10.941 8.322 1.00 95.23 C +ATOM 2107 CE1 TYR A 264 -15.157 8.309 7.509 1.00 94.80 C +ATOM 2108 CE2 TYR A 264 -16.741 10.158 7.747 1.00 94.85 C +ATOM 2109 CZ TYR A 264 -16.450 8.832 7.342 1.00 94.90 C +ATOM 2110 OH TYR A 264 -17.434 8.064 6.771 1.00 94.41 O +ATOM 2111 N HIS A 265 -12.568 13.514 6.924 1.00 95.42 N +ATOM 2112 CA HIS A 265 -12.800 14.299 5.712 1.00 95.15 C +ATOM 2113 C HIS A 265 -11.754 13.996 4.640 1.00 95.40 C +ATOM 2114 O HIS A 265 -12.099 13.831 3.479 1.00 94.92 O +ATOM 2115 CB HIS A 265 -12.834 15.799 6.062 1.00 94.53 C +ATOM 2116 CG HIS A 265 -14.031 16.481 5.500 1.00 91.75 C +ATOM 2117 ND1 HIS A 265 -15.250 16.643 6.154 1.00 85.38 N1+ +ATOM 2118 CD2 HIS A 265 -14.153 17.074 4.264 1.00 82.47 C +ATOM 2119 CE1 HIS A 265 -16.078 17.314 5.345 1.00 79.76 C +ATOM 2120 NE2 HIS A 265 -15.431 17.586 4.187 1.00 80.60 N +ATOM 2121 N LEU A 266 -10.510 13.853 5.049 1.00 95.72 N +ATOM 2122 CA LEU A 266 -9.418 13.466 4.156 1.00 95.64 C +ATOM 2123 C LEU A 266 -9.631 12.076 3.557 1.00 95.93 C +ATOM 2124 O LEU A 266 -9.454 11.890 2.356 1.00 95.62 O +ATOM 2125 CB LEU A 266 -8.109 13.545 4.946 1.00 95.07 C +ATOM 2126 CG LEU A 266 -6.864 13.441 4.062 1.00 92.11 C +ATOM 2127 CD1 LEU A 266 -5.629 13.245 4.956 1.00 89.46 C +ATOM 2128 CD2 LEU A 266 -6.668 14.701 3.239 1.00 85.97 C +ATOM 2129 N MET A 267 -10.096 11.109 4.363 1.00 95.96 N +ATOM 2130 CA MET A 267 -10.480 9.790 3.824 1.00 95.82 C +ATOM 2131 C MET A 267 -11.586 9.920 2.770 1.00 95.82 C +ATOM 2132 O MET A 267 -11.479 9.310 1.707 1.00 95.43 O +ATOM 2133 CB MET A 267 -10.987 8.853 4.928 1.00 95.49 C +ATOM 2134 CG MET A 267 -9.967 8.519 6.011 1.00 93.76 C +ATOM 2135 SD MET A 267 -10.676 7.447 7.288 1.00 92.41 S +ATOM 2136 CE MET A 267 -9.439 7.621 8.559 1.00 88.68 C +ATOM 2137 N LYS A 268 -12.600 10.704 3.053 1.00 95.88 N +ATOM 2138 CA LYS A 268 -13.713 10.921 2.116 1.00 95.70 C +ATOM 2139 C LYS A 268 -13.264 11.568 0.822 1.00 95.82 C +ATOM 2140 O LYS A 268 -13.756 11.167 -0.230 1.00 95.31 O +ATOM 2141 CB LYS A 268 -14.828 11.738 2.769 1.00 95.21 C +ATOM 2142 CG LYS A 268 -15.574 10.917 3.825 1.00 93.16 C +ATOM 2143 CD LYS A 268 -16.792 11.664 4.369 1.00 90.81 C +ATOM 2144 CE LYS A 268 -17.925 11.707 3.324 1.00 86.74 C +ATOM 2145 NZ LYS A 268 -19.146 12.366 3.848 1.00 81.84 N1+ +ATOM 2146 N ASN A 269 -12.332 12.491 0.874 1.00 95.99 N +ATOM 2147 CA ASN A 269 -11.753 13.094 -0.333 1.00 95.84 C +ATOM 2148 C ASN A 269 -11.010 12.045 -1.182 1.00 96.03 C +ATOM 2149 O ASN A 269 -11.084 12.093 -2.412 1.00 95.73 O +ATOM 2150 CB ASN A 269 -10.820 14.235 0.066 1.00 95.45 C +ATOM 2151 CG ASN A 269 -11.513 15.421 0.704 1.00 93.86 C +ATOM 2152 OD1 ASN A 269 -12.736 15.562 0.681 1.00 90.07 O +ATOM 2153 ND2 ASN A 269 -10.762 16.334 1.270 1.00 85.37 N +ATOM 2154 N CYS A 270 -10.337 11.073 -0.539 1.00 96.05 N +ATOM 2155 CA CYS A 270 -9.741 9.932 -1.245 1.00 96.06 C +ATOM 2156 C CYS A 270 -10.795 8.985 -1.849 1.00 96.02 C +ATOM 2157 O CYS A 270 -10.467 8.194 -2.734 1.00 95.76 O +ATOM 2158 CB CYS A 270 -8.835 9.168 -0.286 1.00 96.12 C +ATOM 2159 SG CYS A 270 -7.474 10.170 0.339 1.00 96.18 S +ATOM 2160 N TRP A 271 -12.045 9.060 -1.390 1.00 95.80 N +ATOM 2161 CA TRP A 271 -13.165 8.234 -1.846 1.00 95.77 C +ATOM 2162 C TRP A 271 -14.200 9.012 -2.683 1.00 95.59 C +ATOM 2163 O TRP A 271 -15.354 8.600 -2.748 1.00 95.20 O +ATOM 2164 CB TRP A 271 -13.834 7.575 -0.637 1.00 95.83 C +ATOM 2165 CG TRP A 271 -12.958 6.737 0.225 1.00 96.10 C +ATOM 2166 CD1 TRP A 271 -11.880 6.021 -0.158 1.00 95.85 C +ATOM 2167 CD2 TRP A 271 -13.114 6.502 1.667 1.00 96.00 C +ATOM 2168 NE1 TRP A 271 -11.347 5.364 0.956 1.00 95.63 N +ATOM 2169 CE2 TRP A 271 -12.089 5.635 2.083 1.00 95.79 C +ATOM 2170 CE3 TRP A 271 -14.035 6.952 2.628 1.00 95.83 C +ATOM 2171 CZ2 TRP A 271 -11.960 5.197 3.429 1.00 95.60 C +ATOM 2172 CZ3 TRP A 271 -13.913 6.511 3.967 1.00 95.55 C +ATOM 2173 CH2 TRP A 271 -12.886 5.641 4.363 1.00 95.40 C +ATOM 2174 N GLU A 272 -13.779 10.071 -3.309 1.00 96.26 N +ATOM 2175 CA GLU A 272 -14.595 10.722 -4.322 1.00 96.07 C +ATOM 2176 C GLU A 272 -14.923 9.739 -5.454 1.00 96.08 C +ATOM 2177 O GLU A 272 -14.053 8.990 -5.925 1.00 95.53 O +ATOM 2178 CB GLU A 272 -13.880 11.945 -4.887 1.00 95.55 C +ATOM 2179 CG GLU A 272 -13.880 13.149 -3.919 1.00 93.43 C +ATOM 2180 CD GLU A 272 -15.290 13.727 -3.667 1.00 91.46 C +ATOM 2181 OE1 GLU A 272 -15.467 14.425 -2.651 1.00 79.79 O +ATOM 2182 OE2 GLU A 272 -16.197 13.460 -4.491 1.00 78.10 O +ATOM 2183 N THR A 273 -16.161 9.740 -5.885 1.00 94.97 N +ATOM 2184 CA THR A 273 -16.618 8.838 -6.951 1.00 94.85 C +ATOM 2185 C THR A 273 -15.888 9.124 -8.261 1.00 94.85 C +ATOM 2186 O THR A 273 -15.379 8.198 -8.887 1.00 94.29 O +ATOM 2187 CB THR A 273 -18.129 8.934 -7.151 1.00 94.30 C +ATOM 2188 OG1 THR A 273 -18.792 8.628 -5.944 1.00 92.39 O +ATOM 2189 CG2 THR A 273 -18.646 7.969 -8.213 1.00 91.29 C +ATOM 2190 N GLU A 274 -15.811 10.380 -8.623 1.00 94.85 N +ATOM 2191 CA GLU A 274 -15.011 10.824 -9.756 1.00 94.62 C +ATOM 2192 C GLU A 274 -13.531 10.811 -9.388 1.00 94.92 C +ATOM 2193 O GLU A 274 -13.090 11.507 -8.476 1.00 94.23 O +ATOM 2194 CB GLU A 274 -15.427 12.225 -10.191 1.00 93.50 C +ATOM 2195 CG GLU A 274 -16.609 12.221 -11.166 1.00 86.88 C +ATOM 2196 CD GLU A 274 -16.269 11.547 -12.506 1.00 82.72 C +ATOM 2197 OE1 GLU A 274 -17.186 10.932 -13.093 1.00 71.17 O +ATOM 2198 OE2 GLU A 274 -15.081 11.610 -12.900 1.00 68.77 O +ATOM 2199 N ALA A 275 -12.748 10.021 -10.124 1.00 95.05 N +ATOM 2200 CA ALA A 275 -11.326 9.864 -9.876 1.00 94.99 C +ATOM 2201 C ALA A 275 -10.555 11.196 -9.918 1.00 95.06 C +ATOM 2202 O ALA A 275 -9.651 11.409 -9.112 1.00 94.32 O +ATOM 2203 CB ALA A 275 -10.780 8.875 -10.909 1.00 94.42 C +ATOM 2204 N SER A 276 -10.954 12.100 -10.814 1.00 94.72 N +ATOM 2205 CA SER A 276 -10.343 13.429 -10.967 1.00 94.56 C +ATOM 2206 C SER A 276 -10.540 14.356 -9.766 1.00 94.91 C +ATOM 2207 O SER A 276 -9.792 15.329 -9.642 1.00 94.01 O +ATOM 2208 CB SER A 276 -10.946 14.102 -12.209 1.00 93.34 C +ATOM 2209 OG SER A 276 -12.364 14.118 -12.132 1.00 86.28 O +ATOM 2210 N PHE A 277 -11.484 14.085 -8.903 1.00 95.07 N +ATOM 2211 CA PHE A 277 -11.718 14.888 -7.698 1.00 94.97 C +ATOM 2212 C PHE A 277 -10.931 14.416 -6.490 1.00 95.13 C +ATOM 2213 O PHE A 277 -10.870 15.108 -5.473 1.00 94.67 O +ATOM 2214 CB PHE A 277 -13.213 14.902 -7.381 1.00 94.66 C +ATOM 2215 CG PHE A 277 -14.113 15.522 -8.443 1.00 94.09 C +ATOM 2216 CD1 PHE A 277 -13.608 16.321 -9.485 1.00 92.88 C +ATOM 2217 CD2 PHE A 277 -15.509 15.317 -8.352 1.00 92.11 C +ATOM 2218 CE1 PHE A 277 -14.458 16.892 -10.441 1.00 90.54 C +ATOM 2219 CE2 PHE A 277 -16.368 15.870 -9.313 1.00 90.99 C +ATOM 2220 CZ PHE A 277 -15.845 16.657 -10.355 1.00 91.06 C +ATOM 2221 N ARG A 278 -10.295 13.263 -6.567 1.00 95.65 N +ATOM 2222 CA ARG A 278 -9.440 12.764 -5.494 1.00 95.68 C +ATOM 2223 C ARG A 278 -8.126 13.548 -5.453 1.00 95.59 C +ATOM 2224 O ARG A 278 -7.585 13.897 -6.502 1.00 95.25 O +ATOM 2225 CB ARG A 278 -9.175 11.268 -5.651 1.00 95.70 C +ATOM 2226 CG ARG A 278 -10.464 10.454 -5.710 1.00 95.72 C +ATOM 2227 CD ARG A 278 -10.197 8.977 -5.974 1.00 95.47 C +ATOM 2228 NE ARG A 278 -11.398 8.323 -6.452 1.00 95.35 N +ATOM 2229 CZ ARG A 278 -11.490 7.305 -7.299 1.00 95.43 C +ATOM 2230 NH1 ARG A 278 -10.439 6.668 -7.712 1.00 94.77 N +ATOM 2231 NH2 ARG A 278 -12.639 6.921 -7.727 1.00 94.85 N1+ +ATOM 2232 N PRO A 279 -7.570 13.817 -4.268 1.00 95.95 N +ATOM 2233 CA PRO A 279 -6.244 14.417 -4.175 1.00 95.91 C +ATOM 2234 C PRO A 279 -5.181 13.481 -4.751 1.00 96.03 C +ATOM 2235 O PRO A 279 -5.360 12.268 -4.785 1.00 95.64 O +ATOM 2236 CB PRO A 279 -6.030 14.667 -2.680 1.00 95.60 C +ATOM 2237 CG PRO A 279 -6.885 13.595 -2.007 1.00 94.98 C +ATOM 2238 CD PRO A 279 -8.072 13.435 -2.945 1.00 95.66 C +ATOM 2239 N THR A 280 -4.069 14.011 -5.167 1.00 96.21 N +ATOM 2240 CA THR A 280 -2.880 13.221 -5.472 1.00 96.16 C +ATOM 2241 C THR A 280 -2.101 12.910 -4.193 1.00 96.26 C +ATOM 2242 O THR A 280 -2.290 13.559 -3.165 1.00 95.99 O +ATOM 2243 CB THR A 280 -1.965 13.913 -6.494 1.00 95.91 C +ATOM 2244 OG1 THR A 280 -1.365 15.054 -5.919 1.00 95.42 O +ATOM 2245 CG2 THR A 280 -2.704 14.335 -7.757 1.00 95.34 C +ATOM 2246 N PHE A 281 -1.179 11.961 -4.246 1.00 96.27 N +ATOM 2247 CA PHE A 281 -0.277 11.724 -3.113 1.00 96.29 C +ATOM 2248 C PHE A 281 0.593 12.936 -2.800 1.00 96.26 C +ATOM 2249 O PHE A 281 0.781 13.245 -1.629 1.00 96.01 O +ATOM 2250 CB PHE A 281 0.565 10.483 -3.375 1.00 96.33 C +ATOM 2251 CG PHE A 281 -0.224 9.199 -3.236 1.00 96.50 C +ATOM 2252 CD1 PHE A 281 -0.746 8.830 -1.983 1.00 96.24 C +ATOM 2253 CD2 PHE A 281 -0.446 8.354 -4.340 1.00 96.27 C +ATOM 2254 CE1 PHE A 281 -1.491 7.640 -1.836 1.00 96.01 C +ATOM 2255 CE2 PHE A 281 -1.180 7.166 -4.201 1.00 96.03 C +ATOM 2256 CZ PHE A 281 -1.705 6.812 -2.950 1.00 96.03 C +ATOM 2257 N GLU A 282 1.033 13.683 -3.815 1.00 96.35 N +ATOM 2258 CA GLU A 282 1.746 14.953 -3.602 1.00 96.10 C +ATOM 2259 C GLU A 282 0.914 15.983 -2.847 1.00 96.29 C +ATOM 2260 O GLU A 282 1.445 16.703 -1.994 1.00 95.65 O +ATOM 2261 CB GLU A 282 2.184 15.564 -4.938 1.00 95.29 C +ATOM 2262 CG GLU A 282 3.429 14.880 -5.523 1.00 88.19 C +ATOM 2263 CD GLU A 282 4.016 15.640 -6.708 1.00 84.41 C +ATOM 2264 OE1 GLU A 282 5.251 15.553 -6.916 1.00 70.94 O +ATOM 2265 OE2 GLU A 282 3.243 16.329 -7.417 1.00 68.88 O +ATOM 2266 N ASN A 283 -0.381 16.045 -3.094 1.00 95.90 N +ATOM 2267 CA ASN A 283 -1.258 16.919 -2.337 1.00 95.85 C +ATOM 2268 C ASN A 283 -1.477 16.444 -0.904 1.00 96.01 C +ATOM 2269 O ASN A 283 -1.641 17.252 -0.009 1.00 95.60 O +ATOM 2270 CB ASN A 283 -2.619 17.054 -3.042 1.00 95.42 C +ATOM 2271 CG ASN A 283 -2.548 17.541 -4.475 1.00 93.82 C +ATOM 2272 OD1 ASN A 283 -3.220 16.982 -5.326 1.00 91.02 O +ATOM 2273 ND2 ASN A 283 -1.775 18.551 -4.781 1.00 87.73 N +ATOM 2274 N LEU A 284 -1.480 15.143 -0.691 1.00 96.13 N +ATOM 2275 CA LEU A 284 -1.735 14.537 0.614 1.00 96.16 C +ATOM 2276 C LEU A 284 -0.563 14.723 1.577 1.00 96.19 C +ATOM 2277 O LEU A 284 -0.798 14.919 2.767 1.00 95.94 O +ATOM 2278 CB LEU A 284 -2.059 13.057 0.434 1.00 96.21 C +ATOM 2279 CG LEU A 284 -3.445 12.775 -0.178 1.00 96.05 C +ATOM 2280 CD1 LEU A 284 -3.560 11.312 -0.557 1.00 95.70 C +ATOM 2281 CD2 LEU A 284 -4.556 13.090 0.831 1.00 95.52 C +ATOM 2282 N ILE A 285 0.668 14.697 1.094 1.00 96.09 N +ATOM 2283 CA ILE A 285 1.880 14.832 1.916 1.00 96.10 C +ATOM 2284 C ILE A 285 1.857 16.097 2.798 1.00 96.10 C +ATOM 2285 O ILE A 285 1.931 15.949 4.027 1.00 95.89 O +ATOM 2286 CB ILE A 285 3.152 14.746 1.047 1.00 95.97 C +ATOM 2287 CG1 ILE A 285 3.338 13.322 0.483 1.00 95.61 C +ATOM 2288 CG2 ILE A 285 4.407 15.143 1.854 1.00 95.50 C +ATOM 2289 CD1 ILE A 285 4.253 13.291 -0.747 1.00 94.54 C +ATOM 2290 N PRO A 286 1.740 17.321 2.265 1.00 95.78 N +ATOM 2291 CA PRO A 286 1.759 18.508 3.103 1.00 95.61 C +ATOM 2292 C PRO A 286 0.564 18.587 4.051 1.00 95.68 C +ATOM 2293 O PRO A 286 0.694 19.070 5.180 1.00 95.19 O +ATOM 2294 CB PRO A 286 1.803 19.696 2.116 1.00 95.23 C +ATOM 2295 CG PRO A 286 1.181 19.116 0.844 1.00 94.39 C +ATOM 2296 CD PRO A 286 1.644 17.677 0.869 1.00 95.14 C +ATOM 2297 N ILE A 287 -0.594 18.061 3.632 1.00 95.81 N +ATOM 2298 CA ILE A 287 -1.789 18.021 4.477 1.00 95.70 C +ATOM 2299 C ILE A 287 -1.540 17.123 5.681 1.00 95.79 C +ATOM 2300 O ILE A 287 -1.704 17.541 6.831 1.00 95.45 O +ATOM 2301 CB ILE A 287 -3.026 17.562 3.665 1.00 95.38 C +ATOM 2302 CG1 ILE A 287 -3.344 18.575 2.549 1.00 94.20 C +ATOM 2303 CG2 ILE A 287 -4.252 17.399 4.587 1.00 93.74 C +ATOM 2304 CD1 ILE A 287 -4.377 18.073 1.527 1.00 91.34 C +ATOM 2305 N LEU A 288 -1.058 15.901 5.446 1.00 95.66 N +ATOM 2306 CA LEU A 288 -0.757 14.949 6.513 1.00 95.60 C +ATOM 2307 C LEU A 288 0.379 15.433 7.409 1.00 95.60 C +ATOM 2308 O LEU A 288 0.301 15.228 8.618 1.00 95.28 O +ATOM 2309 CB LEU A 288 -0.419 13.593 5.906 1.00 95.51 C +ATOM 2310 CG LEU A 288 -1.660 12.847 5.382 1.00 95.09 C +ATOM 2311 CD1 LEU A 288 -1.208 11.681 4.524 1.00 94.44 C +ATOM 2312 CD2 LEU A 288 -2.501 12.275 6.538 1.00 94.24 C +ATOM 2313 N LYS A 289 1.369 16.120 6.864 1.00 95.09 N +ATOM 2314 CA LYS A 289 2.442 16.756 7.647 1.00 94.97 C +ATOM 2315 C LYS A 289 1.885 17.767 8.646 1.00 95.10 C +ATOM 2316 O LYS A 289 2.189 17.697 9.827 1.00 94.52 O +ATOM 2317 CB LYS A 289 3.428 17.426 6.691 1.00 94.17 C +ATOM 2318 CG LYS A 289 4.859 17.062 7.039 1.00 89.94 C +ATOM 2319 CD LYS A 289 5.816 17.563 5.962 1.00 86.01 C +ATOM 2320 CE LYS A 289 7.248 17.112 6.278 1.00 79.54 C +ATOM 2321 NZ LYS A 289 8.145 17.304 5.121 1.00 73.06 N1+ +ATOM 2322 N THR A 290 1.010 18.626 8.179 1.00 94.97 N +ATOM 2323 CA THR A 290 0.363 19.636 9.021 1.00 94.85 C +ATOM 2324 C THR A 290 -0.510 19.015 10.104 1.00 94.95 C +ATOM 2325 O THR A 290 -0.451 19.407 11.268 1.00 94.27 O +ATOM 2326 CB THR A 290 -0.503 20.582 8.165 1.00 94.30 C +ATOM 2327 OG1 THR A 290 0.292 21.184 7.177 1.00 91.71 O +ATOM 2328 CG2 THR A 290 -1.125 21.706 8.982 1.00 90.48 C +ATOM 2329 N VAL A 291 -1.291 18.004 9.743 1.00 94.68 N +ATOM 2330 CA VAL A 291 -2.156 17.299 10.705 1.00 94.58 C +ATOM 2331 C VAL A 291 -1.313 16.530 11.714 1.00 94.59 C +ATOM 2332 O VAL A 291 -1.576 16.605 12.916 1.00 93.99 O +ATOM 2333 CB VAL A 291 -3.161 16.401 9.963 1.00 94.09 C +ATOM 2334 CG1 VAL A 291 -4.100 17.210 9.073 1.00 92.21 C +ATOM 2335 CG2 VAL A 291 -4.063 15.667 10.954 1.00 91.90 C +ATOM 2336 N HIS A 292 -0.276 15.860 11.282 1.00 94.76 N +ATOM 2337 CA HIS A 292 0.663 15.158 12.169 1.00 94.60 C +ATOM 2338 C HIS A 292 1.309 16.088 13.189 1.00 94.44 C +ATOM 2339 O HIS A 292 1.307 15.783 14.386 1.00 93.69 O +ATOM 2340 CB HIS A 292 1.708 14.439 11.318 1.00 94.27 C +ATOM 2341 CG HIS A 292 2.860 13.912 12.126 1.00 93.36 C +ATOM 2342 ND1 HIS A 292 2.763 13.036 13.193 1.00 89.35 N1+ +ATOM 2343 CD2 HIS A 292 4.175 14.275 12.028 1.00 88.57 C +ATOM 2344 CE1 HIS A 292 3.994 12.879 13.716 1.00 88.54 C +ATOM 2345 NE2 HIS A 292 4.871 13.610 13.026 1.00 90.22 N +ATOM 2346 N GLU A 293 1.834 17.234 12.756 1.00 93.08 N +ATOM 2347 CA GLU A 293 2.426 18.236 13.671 1.00 92.76 C +ATOM 2348 C GLU A 293 1.409 18.747 14.693 1.00 92.77 C +ATOM 2349 O GLU A 293 1.740 18.790 15.901 1.00 91.94 O +ATOM 2350 CB GLU A 293 2.974 19.420 12.870 1.00 91.35 C +ATOM 2351 CG GLU A 293 4.291 19.027 12.169 1.00 82.09 C +ATOM 2352 CD GLU A 293 4.907 20.178 11.361 1.00 77.64 C +ATOM 2353 OE1 GLU A 293 6.048 19.983 10.886 1.00 66.83 O +ATOM 2354 OE2 GLU A 293 4.234 21.216 11.220 1.00 63.34 O +ATOM 2355 N LYS A 294 0.202 18.997 14.274 1.00 93.06 N +ATOM 2356 CA LYS A 294 -0.884 19.434 15.165 1.00 93.00 C +ATOM 2357 C LYS A 294 -1.157 18.425 16.269 1.00 93.08 C +ATOM 2358 O LYS A 294 -1.270 18.839 17.430 1.00 92.15 O +ATOM 2359 CB LYS A 294 -2.137 19.667 14.308 1.00 92.35 C +ATOM 2360 CG LYS A 294 -3.370 20.116 15.108 1.00 89.28 C +ATOM 2361 CD LYS A 294 -4.560 20.230 14.157 1.00 86.60 C +ATOM 2362 CE LYS A 294 -5.840 20.524 14.886 1.00 81.41 C +ATOM 2363 NZ LYS A 294 -7.008 20.437 13.967 1.00 72.75 N1+ +ATOM 2364 N TYR A 295 -1.204 17.149 15.994 1.00 92.99 N +ATOM 2365 CA TYR A 295 -1.483 16.117 16.993 1.00 93.14 C +ATOM 2366 C TYR A 295 -0.244 15.694 17.775 1.00 92.93 C +ATOM 2367 O TYR A 295 -0.379 15.223 18.907 1.00 91.78 O +ATOM 2368 CB TYR A 295 -2.172 14.934 16.369 1.00 92.96 C +ATOM 2369 CG TYR A 295 -3.615 15.241 15.994 1.00 93.10 C +ATOM 2370 CD1 TYR A 295 -4.596 15.333 16.991 1.00 92.24 C +ATOM 2371 CD2 TYR A 295 -3.963 15.488 14.649 1.00 91.94 C +ATOM 2372 CE1 TYR A 295 -5.895 15.723 16.658 1.00 91.08 C +ATOM 2373 CE2 TYR A 295 -5.264 15.853 14.308 1.00 91.60 C +ATOM 2374 CZ TYR A 295 -6.222 15.988 15.300 1.00 91.83 C +ATOM 2375 OH TYR A 295 -7.490 16.377 14.964 1.00 90.25 O +ATOM 2376 N ARG A 296 0.945 15.898 17.268 1.00 89.25 N +ATOM 2377 CA ARG A 296 2.195 15.638 17.980 1.00 88.07 C +ATOM 2378 C ARG A 296 2.386 16.582 19.179 1.00 87.34 C +ATOM 2379 O ARG A 296 2.835 16.137 20.226 1.00 85.15 O +ATOM 2380 CB ARG A 296 3.377 15.763 17.011 1.00 86.48 C +ATOM 2381 CG ARG A 296 4.602 15.019 17.550 1.00 80.70 C +ATOM 2382 CD ARG A 296 5.797 15.143 16.595 1.00 79.88 C +ATOM 2383 NE ARG A 296 6.554 16.374 16.887 1.00 76.04 N +ATOM 2384 CZ ARG A 296 7.691 16.732 16.320 1.00 71.00 C +ATOM 2385 NH1 ARG A 296 8.223 16.018 15.371 1.00 65.85 N +ATOM 2386 NH2 ARG A 296 8.341 17.778 16.715 1.00 63.99 N1+ +ATOM 2387 N HIS A 297 2.032 17.843 19.038 1.00 80.12 N +ATOM 2388 CA HIS A 297 2.164 18.830 20.103 1.00 79.74 C +ATOM 2389 C HIS A 297 1.172 18.638 21.256 1.00 79.54 C +ATOM 2390 O HIS A 297 1.506 18.972 22.407 1.00 75.80 O +ATOM 2391 CB HIS A 297 2.074 20.239 19.519 1.00 76.46 C +ATOM 2392 CG HIS A 297 3.298 20.610 18.743 1.00 73.37 C +ATOM 2393 ND1 HIS A 297 4.613 20.656 19.270 1.00 63.86 N1+ +ATOM 2394 CD2 HIS A 297 3.409 20.931 17.412 1.00 64.57 C +ATOM 2395 CE1 HIS A 297 5.447 20.989 18.284 1.00 63.29 C +ATOM 2396 NE2 HIS A 297 4.745 21.165 17.133 1.00 63.25 N +ATOM 2397 N HIS A 298 0.036 18.023 21.018 1.00 71.69 N +ATOM 2398 CA HIS A 298 -0.933 17.753 22.076 1.00 70.71 C +ATOM 2399 C HIS A 298 -0.499 16.673 23.071 1.00 70.81 C +ATOM 2400 O HIS A 298 -0.966 16.704 24.217 1.00 66.89 O +ATOM 2401 CB HIS A 298 -2.278 17.404 21.458 1.00 66.18 C +ATOM 2402 CG HIS A 298 -3.022 18.604 20.945 1.00 64.51 C +ATOM 2403 ND1 HIS A 298 -3.413 19.677 21.713 1.00 53.78 N1+ +ATOM 2404 CD2 HIS A 298 -3.458 18.852 19.665 1.00 54.17 C +ATOM 2405 CE1 HIS A 298 -4.063 20.543 20.930 1.00 51.69 C +ATOM 2406 NE2 HIS A 298 -4.105 20.075 19.684 1.00 54.76 N +ATOM 2407 N HIS A 299 0.424 15.812 22.726 1.00 63.13 N +ATOM 2408 CA HIS A 299 0.948 14.773 23.627 1.00 62.56 C +ATOM 2409 C HIS A 299 2.071 15.253 24.556 1.00 62.85 C +ATOM 2410 O HIS A 299 2.447 14.519 25.478 1.00 58.14 O +ATOM 2411 CB HIS A 299 1.361 13.547 22.837 1.00 58.05 C +ATOM 2412 CG HIS A 299 0.207 12.615 22.592 1.00 55.45 C +ATOM 2413 ND1 HIS A 299 -0.499 11.946 23.586 1.00 47.59 N1+ +ATOM 2414 CD2 HIS A 299 -0.358 12.239 21.379 1.00 47.82 C +ATOM 2415 CE1 HIS A 299 -1.446 11.204 23.021 1.00 45.80 C +ATOM 2416 NE2 HIS A 299 -1.396 11.369 21.679 1.00 48.17 N +ATOM 2417 N HIS A 300 2.605 16.451 24.383 1.00 56.27 N +ATOM 2418 CA HIS A 300 3.638 17.000 25.276 1.00 54.23 C +ATOM 2419 C HIS A 300 3.088 17.924 26.351 1.00 55.27 C +ATOM 2420 O HIS A 300 3.862 18.456 27.150 1.00 51.86 O +ATOM 2421 CB HIS A 300 4.723 17.676 24.429 1.00 49.97 C +ATOM 2422 CG HIS A 300 5.657 16.697 23.760 1.00 46.74 C +ATOM 2423 ND1 HIS A 300 6.210 15.568 24.367 1.00 41.21 N1+ +ATOM 2424 CD2 HIS A 300 6.185 16.781 22.511 1.00 40.43 C +ATOM 2425 CE1 HIS A 300 7.036 14.982 23.500 1.00 37.34 C +ATOM 2426 NE2 HIS A 300 7.064 15.700 22.340 1.00 41.24 N +ATOM 2427 N HIS A 301 1.781 18.111 26.412 1.00 58.87 N +ATOM 2428 CA HIS A 301 1.120 19.002 27.380 1.00 56.99 C +ATOM 2429 C HIS A 301 0.187 18.281 28.351 1.00 57.07 C +ATOM 2430 O HIS A 301 -0.588 18.941 29.034 1.00 52.55 O +ATOM 2431 CB HIS A 301 0.426 20.121 26.637 1.00 52.58 C +ATOM 2432 CG HIS A 301 1.377 21.138 26.074 1.00 49.71 C +ATOM 2433 ND1 HIS A 301 2.298 21.855 26.842 1.00 43.48 N1+ +ATOM 2434 CD2 HIS A 301 1.537 21.594 24.795 1.00 42.49 C +ATOM 2435 CE1 HIS A 301 2.961 22.691 26.037 1.00 39.62 C +ATOM 2436 NE2 HIS A 301 2.515 22.564 24.786 1.00 41.77 N +ATOM 2437 N HIS A 302 0.262 16.957 28.434 1.00 51.37 N +ATOM 2438 CA HIS A 302 -0.470 16.162 29.435 1.00 48.75 C +ATOM 2439 C HIS A 302 0.455 15.210 30.167 1.00 48.46 C +ATOM 2440 O HIS A 302 1.365 14.637 29.547 1.00 43.50 O +ATOM 2441 CB HIS A 302 -1.638 15.435 28.776 1.00 44.42 C +ATOM 2442 CG HIS A 302 -2.816 16.319 28.506 1.00 41.78 C +ATOM 2443 ND1 HIS A 302 -3.420 17.119 29.440 1.00 36.80 N1+ +ATOM 2444 CD2 HIS A 302 -3.498 16.463 27.331 1.00 35.18 C +ATOM 2445 CE1 HIS A 302 -4.445 17.721 28.851 1.00 33.03 C +ATOM 2446 NE2 HIS A 302 -4.528 17.352 27.579 1.00 35.65 N +HETATM 2447 O1 LIG Z 1 6.621 -9.087 2.125 1.00 89.28 O +HETATM 2448 C1 LIG Z 1 5.866 -9.422 3.048 1.00 91.29 C +HETATM 2449 N1 LIG Z 1 6.297 -9.574 4.321 1.00 90.94 N +HETATM 2450 C2 LIG Z 1 7.554 -9.252 4.830 1.00 93.35 C +HETATM 2451 C3 LIG Z 1 8.628 -8.763 4.091 1.00 93.54 C +HETATM 2452 C4 LIG Z 1 9.812 -8.415 4.777 1.00 94.30 C +HETATM 2453 N2 LIG Z 1 9.900 -8.547 6.111 1.00 94.58 N +HETATM 2454 C5 LIG Z 1 8.834 -9.051 6.808 1.00 94.20 C +HETATM 2455 N3 LIG Z 1 8.952 -9.137 8.177 1.00 93.50 N +HETATM 2456 C6 LIG Z 1 8.132 -9.815 9.099 1.00 92.30 C +HETATM 2457 O2 LIG Z 1 7.096 -10.462 8.789 1.00 90.49 O +HETATM 2458 C7 LIG Z 1 8.584 -9.729 10.597 1.00 90.98 C +HETATM 2459 C8 LIG Z 1 7.545 -9.868 11.661 1.00 84.92 C +HETATM 2460 C9 LIG Z 1 8.483 -10.986 11.401 1.00 84.72 C +HETATM 2461 C10 LIG Z 1 7.649 -9.393 6.195 1.00 93.67 C +HETATM 2462 C11 LIG Z 1 4.466 -9.702 2.763 1.00 90.10 C +HETATM 2463 C12 LIG Z 1 3.642 -8.695 2.254 1.00 87.18 C +HETATM 2464 CL1 LIG Z 1 4.266 -7.111 1.999 1.00 86.46 CL +HETATM 2465 C13 LIG Z 1 2.295 -8.947 1.964 1.00 86.68 C +HETATM 2466 C14 LIG Z 1 1.735 -10.199 2.172 1.00 86.51 C +HETATM 2467 C15 LIG Z 1 2.533 -11.204 2.694 1.00 84.65 C +HETATM 2468 C16 LIG Z 1 3.879 -10.953 2.988 1.00 87.06 C +HETATM 2469 CL2 LIG Z 1 4.791 -12.232 3.682 1.00 84.85 CL +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2462 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 2461 +CONECT 2451 2450 2452 +CONECT 2452 2451 2453 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2461 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2460 +CONECT 2459 2458 2460 +CONECT 2460 2459 2458 +CONECT 2461 2454 2450 +CONECT 2462 2448 2463 2468 +CONECT 2463 2462 2464 2465 +CONECT 2464 2463 +CONECT 2465 2463 2466 +CONECT 2466 2465 2467 +CONECT 2467 2466 2468 +CONECT 2468 2467 2469 2462 +CONECT 2469 2468 diff --git a/cookbook/assets/of3_output/lig_ejm_47_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_47_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..d3975f5 --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_47_seed_42_sample_1_model.pdb @@ -0,0 +1,3096 @@ +ATOM 1 N MET A 1 44.986 -10.404 -12.540 1.00 35.48 N +ATOM 2 CA MET A 1 43.562 -10.358 -13.010 1.00 31.64 C +ATOM 3 C MET A 1 42.732 -10.105 -11.801 1.00 32.66 C +ATOM 4 O MET A 1 42.715 -10.938 -10.897 1.00 30.15 O +ATOM 5 CB MET A 1 43.220 -11.691 -13.675 1.00 29.49 C +ATOM 6 CG MET A 1 43.868 -11.796 -15.071 1.00 27.73 C +ATOM 7 SD MET A 1 43.679 -13.430 -15.821 1.00 24.36 S +ATOM 8 CE MET A 1 44.344 -13.166 -17.456 1.00 22.05 C +ATOM 9 N GLY A 2 42.081 -8.935 -11.744 1.00 34.03 N +ATOM 10 CA GLY A 2 41.094 -8.692 -10.674 1.00 31.84 C +ATOM 11 C GLY A 2 39.984 -9.665 -10.855 1.00 34.24 C +ATOM 12 O GLY A 2 39.522 -9.905 -11.958 1.00 32.89 O +ATOM 13 N SER A 3 39.489 -10.232 -9.763 1.00 42.42 N +ATOM 14 CA SER A 3 38.214 -10.974 -9.793 1.00 41.76 C +ATOM 15 C SER A 3 37.182 -10.040 -10.361 1.00 43.02 C +ATOM 16 O SER A 3 37.137 -8.912 -9.906 1.00 41.02 O +ATOM 17 CB SER A 3 37.856 -11.435 -8.389 1.00 37.55 C +ATOM 18 OG SER A 3 38.863 -12.288 -7.887 1.00 35.38 O +ATOM 19 N PRO A 4 36.375 -10.471 -11.345 1.00 47.70 N +ATOM 20 CA PRO A 4 35.292 -9.648 -11.792 1.00 45.92 C +ATOM 21 C PRO A 4 34.463 -9.319 -10.559 1.00 48.25 C +ATOM 22 O PRO A 4 34.146 -10.232 -9.783 1.00 44.73 O +ATOM 23 CB PRO A 4 34.515 -10.482 -12.820 1.00 40.76 C +ATOM 24 CG PRO A 4 34.887 -11.924 -12.460 1.00 40.01 C +ATOM 25 CD PRO A 4 36.305 -11.815 -11.896 1.00 40.93 C +ATOM 26 N ALA A 5 34.202 -8.030 -10.338 1.00 55.06 N +ATOM 27 CA ALA A 5 33.427 -7.606 -9.200 1.00 54.83 C +ATOM 28 C ALA A 5 32.090 -8.360 -9.230 1.00 57.01 C +ATOM 29 O ALA A 5 31.357 -8.245 -10.228 1.00 53.45 O +ATOM 30 CB ALA A 5 33.238 -6.085 -9.254 1.00 48.41 C +ATOM 31 N SER A 6 31.842 -9.151 -8.249 1.00 67.13 N +ATOM 32 CA SER A 6 30.616 -9.915 -8.174 1.00 67.88 C +ATOM 33 C SER A 6 29.457 -8.939 -8.158 1.00 69.55 C +ATOM 34 O SER A 6 29.448 -8.053 -7.303 1.00 65.12 O +ATOM 35 CB SER A 6 30.619 -10.778 -6.916 1.00 62.07 C +ATOM 36 OG SER A 6 29.409 -11.497 -6.799 1.00 55.43 O +ATOM 37 N ASP A 7 28.541 -9.096 -9.076 1.00 77.97 N +ATOM 38 CA ASP A 7 27.337 -8.256 -9.099 1.00 79.49 C +ATOM 39 C ASP A 7 26.606 -8.437 -7.767 1.00 81.33 C +ATOM 40 O ASP A 7 26.125 -9.542 -7.472 1.00 80.22 O +ATOM 41 CB ASP A 7 26.471 -8.637 -10.308 1.00 76.35 C +ATOM 42 CG ASP A 7 25.178 -7.838 -10.405 1.00 73.54 C +ATOM 43 OD1 ASP A 7 24.835 -7.073 -9.467 1.00 65.79 O +ATOM 44 OD2 ASP A 7 24.462 -8.022 -11.411 1.00 67.99 O +ATOM 45 N PRO A 8 26.485 -7.374 -6.958 1.00 85.21 N +ATOM 46 CA PRO A 8 25.894 -7.467 -5.630 1.00 85.74 C +ATOM 47 C PRO A 8 24.396 -7.803 -5.666 1.00 86.74 C +ATOM 48 O PRO A 8 23.845 -8.150 -4.638 1.00 84.10 O +ATOM 49 CB PRO A 8 26.172 -6.110 -4.985 1.00 82.25 C +ATOM 50 CG PRO A 8 26.223 -5.158 -6.173 1.00 79.34 C +ATOM 51 CD PRO A 8 26.870 -5.996 -7.247 1.00 82.53 C +ATOM 52 N THR A 9 23.779 -7.726 -6.843 1.00 89.31 N +ATOM 53 CA THR A 9 22.370 -8.105 -7.041 1.00 89.84 C +ATOM 54 C THR A 9 22.186 -9.601 -7.356 1.00 90.28 C +ATOM 55 O THR A 9 21.035 -10.060 -7.437 1.00 88.41 O +ATOM 56 CB THR A 9 21.712 -7.241 -8.116 1.00 88.37 C +ATOM 57 OG1 THR A 9 22.172 -7.573 -9.411 1.00 85.93 O +ATOM 58 CG2 THR A 9 21.935 -5.753 -7.898 1.00 85.78 C +ATOM 59 N VAL A 10 23.242 -10.353 -7.521 1.00 91.31 N +ATOM 60 CA VAL A 10 23.180 -11.791 -7.762 1.00 91.50 C +ATOM 61 C VAL A 10 23.387 -12.534 -6.436 1.00 92.03 C +ATOM 62 O VAL A 10 24.486 -12.608 -5.914 1.00 91.02 O +ATOM 63 CB VAL A 10 24.168 -12.247 -8.828 1.00 90.04 C +ATOM 64 CG1 VAL A 10 23.858 -11.578 -10.163 1.00 84.95 C +ATOM 65 CG2 VAL A 10 24.082 -13.765 -9.035 1.00 84.99 C +ATOM 66 N PHE A 11 22.343 -13.134 -5.957 1.00 92.37 N +ATOM 67 CA PHE A 11 22.380 -13.958 -4.753 1.00 92.69 C +ATOM 68 C PHE A 11 22.545 -15.433 -5.123 1.00 92.71 C +ATOM 69 O PHE A 11 21.844 -15.981 -5.973 1.00 92.05 O +ATOM 70 CB PHE A 11 21.112 -13.725 -3.927 1.00 92.77 C +ATOM 71 CG PHE A 11 21.128 -12.392 -3.200 1.00 93.58 C +ATOM 72 CD1 PHE A 11 21.360 -12.364 -1.809 1.00 92.68 C +ATOM 73 CD2 PHE A 11 20.960 -11.200 -3.887 1.00 92.46 C +ATOM 74 CE1 PHE A 11 21.425 -11.140 -1.120 1.00 91.89 C +ATOM 75 CE2 PHE A 11 21.011 -9.958 -3.204 1.00 92.37 C +ATOM 76 CZ PHE A 11 21.270 -9.941 -1.829 1.00 92.47 C +ATOM 77 N HIS A 12 23.455 -16.096 -4.457 1.00 91.38 N +ATOM 78 CA HIS A 12 23.729 -17.502 -4.696 1.00 91.31 C +ATOM 79 C HIS A 12 22.955 -18.376 -3.702 1.00 91.60 C +ATOM 80 O HIS A 12 23.170 -18.280 -2.491 1.00 90.50 O +ATOM 81 CB HIS A 12 25.229 -17.795 -4.634 1.00 90.00 C +ATOM 82 CG HIS A 12 25.964 -17.086 -5.734 1.00 88.13 C +ATOM 83 ND1 HIS A 12 25.953 -17.449 -7.065 1.00 80.01 N1+ +ATOM 84 CD2 HIS A 12 26.788 -16.009 -5.601 1.00 79.16 C +ATOM 85 CE1 HIS A 12 26.761 -16.597 -7.718 1.00 78.58 C +ATOM 86 NE2 HIS A 12 27.292 -15.712 -6.868 1.00 79.74 N +ATOM 87 N LYS A 13 22.161 -19.288 -4.212 1.00 90.25 N +ATOM 88 CA LYS A 13 21.302 -20.156 -3.407 1.00 90.48 C +ATOM 89 C LYS A 13 22.066 -20.955 -2.347 1.00 91.09 C +ATOM 90 O LYS A 13 21.520 -21.185 -1.263 1.00 89.58 O +ATOM 91 CB LYS A 13 20.514 -21.073 -4.357 1.00 88.25 C +ATOM 92 CG LYS A 13 19.341 -21.792 -3.667 1.00 77.39 C +ATOM 93 CD LYS A 13 18.435 -22.479 -4.710 1.00 73.14 C +ATOM 94 CE LYS A 13 17.197 -23.091 -4.062 1.00 66.77 C +ATOM 95 NZ LYS A 13 16.148 -23.448 -5.077 1.00 60.23 N1+ +ATOM 96 N ARG A 14 23.299 -21.301 -2.612 1.00 89.66 N +ATOM 97 CA ARG A 14 24.158 -22.034 -1.657 1.00 89.39 C +ATOM 98 C ARG A 14 24.479 -21.258 -0.367 1.00 89.86 C +ATOM 99 O ARG A 14 24.786 -21.888 0.632 1.00 88.15 O +ATOM 100 CB ARG A 14 25.479 -22.471 -2.343 1.00 87.79 C +ATOM 101 CG ARG A 14 26.359 -21.277 -2.752 1.00 81.80 C +ATOM 102 CD ARG A 14 27.645 -21.773 -3.438 1.00 78.36 C +ATOM 103 NE ARG A 14 28.502 -20.646 -3.828 1.00 73.10 N +ATOM 104 CZ ARG A 14 28.520 -20.038 -5.008 1.00 67.78 C +ATOM 105 NH1 ARG A 14 27.707 -20.361 -5.969 1.00 62.09 N +ATOM 106 NH2 ARG A 14 29.315 -19.035 -5.197 1.00 61.35 N1+ +ATOM 107 N TYR A 15 24.381 -19.932 -0.407 1.00 91.02 N +ATOM 108 CA TYR A 15 24.603 -19.078 0.751 1.00 91.26 C +ATOM 109 C TYR A 15 23.319 -18.613 1.435 1.00 91.62 C +ATOM 110 O TYR A 15 23.371 -17.941 2.458 1.00 90.61 O +ATOM 111 CB TYR A 15 25.435 -17.866 0.315 1.00 90.76 C +ATOM 112 CG TYR A 15 26.759 -18.196 -0.319 1.00 90.51 C +ATOM 113 CD1 TYR A 15 27.647 -19.102 0.307 1.00 87.95 C +ATOM 114 CD2 TYR A 15 27.143 -17.574 -1.532 1.00 87.38 C +ATOM 115 CE1 TYR A 15 28.898 -19.386 -0.261 1.00 86.11 C +ATOM 116 CE2 TYR A 15 28.391 -17.844 -2.104 1.00 86.85 C +ATOM 117 CZ TYR A 15 29.268 -18.749 -1.467 1.00 87.16 C +ATOM 118 OH TYR A 15 30.511 -19.002 -2.020 1.00 85.03 O +ATOM 119 N LEU A 16 22.180 -18.963 0.887 1.00 91.73 N +ATOM 120 CA LEU A 16 20.872 -18.676 1.461 1.00 92.10 C +ATOM 121 C LEU A 16 20.449 -19.802 2.406 1.00 92.01 C +ATOM 122 O LEU A 16 20.144 -20.910 1.973 1.00 90.81 O +ATOM 123 CB LEU A 16 19.826 -18.460 0.351 1.00 91.65 C +ATOM 124 CG LEU A 16 19.912 -17.085 -0.334 1.00 90.02 C +ATOM 125 CD1 LEU A 16 18.996 -17.090 -1.563 1.00 88.97 C +ATOM 126 CD2 LEU A 16 19.434 -15.970 0.586 1.00 88.38 C +ATOM 127 N LYS A 17 20.387 -19.500 3.676 1.00 92.41 N +ATOM 128 CA LYS A 17 19.937 -20.433 4.715 1.00 92.12 C +ATOM 129 C LYS A 17 18.537 -20.011 5.172 1.00 92.28 C +ATOM 130 O LYS A 17 18.370 -18.963 5.789 1.00 91.16 O +ATOM 131 CB LYS A 17 20.934 -20.422 5.879 1.00 90.71 C +ATOM 132 CG LYS A 17 22.307 -20.961 5.451 1.00 84.37 C +ATOM 133 CD LYS A 17 23.367 -20.813 6.558 1.00 80.66 C +ATOM 134 CE LYS A 17 24.736 -21.210 6.031 1.00 75.46 C +ATOM 135 NZ LYS A 17 25.852 -20.756 6.881 1.00 66.80 N1+ +ATOM 136 N LYS A 18 17.550 -20.816 4.863 1.00 91.66 N +ATOM 137 CA LYS A 18 16.167 -20.533 5.260 1.00 91.69 C +ATOM 138 C LYS A 18 16.036 -20.607 6.782 1.00 91.65 C +ATOM 139 O LYS A 18 16.463 -21.578 7.390 1.00 90.65 O +ATOM 140 CB LYS A 18 15.191 -21.494 4.571 1.00 90.96 C +ATOM 141 CG LYS A 18 13.735 -21.128 4.883 1.00 87.93 C +ATOM 142 CD LYS A 18 12.725 -22.013 4.120 1.00 85.90 C +ATOM 143 CE LYS A 18 11.330 -21.548 4.536 1.00 81.84 C +ATOM 144 NZ LYS A 18 10.226 -22.292 3.856 1.00 76.84 N1+ +ATOM 145 N ILE A 19 15.366 -19.592 7.350 1.00 91.91 N +ATOM 146 CA ILE A 19 15.087 -19.509 8.778 1.00 91.97 C +ATOM 147 C ILE A 19 13.630 -19.871 9.052 1.00 92.03 C +ATOM 148 O ILE A 19 13.346 -20.784 9.831 1.00 91.31 O +ATOM 149 CB ILE A 19 15.459 -18.100 9.332 1.00 91.41 C +ATOM 150 CG1 ILE A 19 16.969 -17.842 9.109 1.00 89.49 C +ATOM 151 CG2 ILE A 19 15.107 -18.004 10.819 1.00 88.59 C +ATOM 152 CD1 ILE A 19 17.402 -16.417 9.506 1.00 84.57 C +ATOM 153 N ARG A 20 12.693 -19.180 8.394 1.00 89.96 N +ATOM 154 CA ARG A 20 11.255 -19.408 8.580 1.00 89.51 C +ATOM 155 C ARG A 20 10.445 -18.817 7.426 1.00 89.92 C +ATOM 156 O ARG A 20 10.923 -17.958 6.716 1.00 88.85 O +ATOM 157 CB ARG A 20 10.791 -18.813 9.924 1.00 88.24 C +ATOM 158 CG ARG A 20 10.936 -17.288 10.012 1.00 84.03 C +ATOM 159 CD ARG A 20 10.508 -16.774 11.395 1.00 81.21 C +ATOM 160 NE ARG A 20 10.548 -15.299 11.441 1.00 77.98 N +ATOM 161 CZ ARG A 20 10.454 -14.537 12.510 1.00 75.36 C +ATOM 162 NH1 ARG A 20 10.339 -15.052 13.694 1.00 71.20 N +ATOM 163 NH2 ARG A 20 10.478 -13.253 12.400 1.00 70.36 N1+ +ATOM 164 N ASP A 21 9.189 -19.203 7.337 1.00 90.23 N +ATOM 165 CA ASP A 21 8.240 -18.542 6.456 1.00 90.59 C +ATOM 166 C ASP A 21 7.734 -17.244 7.103 1.00 90.84 C +ATOM 167 O ASP A 21 7.522 -17.188 8.311 1.00 89.76 O +ATOM 168 CB ASP A 21 7.112 -19.519 6.123 1.00 89.57 C +ATOM 169 CG ASP A 21 7.629 -20.742 5.343 1.00 86.77 C +ATOM 170 OD1 ASP A 21 8.534 -20.591 4.509 1.00 82.07 O +ATOM 171 OD2 ASP A 21 7.111 -21.857 5.558 1.00 80.36 O +ATOM 172 N LEU A 22 7.568 -16.218 6.288 1.00 90.72 N +ATOM 173 CA LEU A 22 7.025 -14.933 6.706 1.00 90.81 C +ATOM 174 C LEU A 22 5.567 -14.768 6.294 1.00 90.54 C +ATOM 175 O LEU A 22 4.817 -14.092 6.983 1.00 89.65 O +ATOM 176 CB LEU A 22 7.878 -13.805 6.108 1.00 91.22 C +ATOM 177 CG LEU A 22 9.333 -13.746 6.582 1.00 91.94 C +ATOM 178 CD1 LEU A 22 10.065 -12.619 5.879 1.00 91.35 C +ATOM 179 CD2 LEU A 22 9.426 -13.507 8.091 1.00 90.86 C +ATOM 180 N GLY A 23 5.159 -15.384 5.208 1.00 84.96 N +ATOM 181 CA GLY A 23 3.787 -15.352 4.724 1.00 84.15 C +ATOM 182 C GLY A 23 3.680 -15.601 3.227 1.00 84.60 C +ATOM 183 O GLY A 23 4.643 -15.980 2.572 1.00 83.55 O +ATOM 184 N GLU A 24 2.503 -15.406 2.709 1.00 80.51 N +ATOM 185 CA GLU A 24 2.236 -15.482 1.286 1.00 80.63 C +ATOM 186 C GLU A 24 1.800 -14.120 0.757 1.00 80.76 C +ATOM 187 O GLU A 24 0.939 -13.452 1.338 1.00 77.61 O +ATOM 188 CB GLU A 24 1.199 -16.558 0.955 1.00 77.96 C +ATOM 189 CG GLU A 24 1.679 -17.956 1.330 1.00 73.13 C +ATOM 190 CD GLU A 24 0.855 -19.088 0.708 1.00 70.33 C +ATOM 191 OE1 GLU A 24 1.304 -20.268 0.809 1.00 59.99 O +ATOM 192 OE2 GLU A 24 -0.202 -18.808 0.093 1.00 59.73 O +ATOM 193 N GLY A 25 2.397 -13.683 -0.331 1.00 79.33 N +ATOM 194 CA GLY A 25 1.995 -12.528 -1.114 1.00 79.36 C +ATOM 195 C GLY A 25 1.369 -12.957 -2.435 1.00 81.18 C +ATOM 196 O GLY A 25 1.123 -14.152 -2.682 1.00 78.24 O +ATOM 197 N HIS A 26 1.125 -11.987 -3.315 1.00 77.44 N +ATOM 198 CA HIS A 26 0.681 -12.311 -4.665 1.00 76.93 C +ATOM 199 C HIS A 26 1.740 -13.148 -5.393 1.00 77.83 C +ATOM 200 O HIS A 26 2.934 -12.879 -5.282 1.00 74.50 O +ATOM 201 CB HIS A 26 0.329 -11.040 -5.422 1.00 73.66 C +ATOM 202 CG HIS A 26 -1.022 -11.132 -6.058 1.00 73.26 C +ATOM 203 ND1 HIS A 26 -1.273 -11.668 -7.310 1.00 60.70 N1+ +ATOM 204 CD2 HIS A 26 -2.224 -10.762 -5.514 1.00 62.77 C +ATOM 205 CE1 HIS A 26 -2.615 -11.617 -7.519 1.00 61.54 C +ATOM 206 NE2 HIS A 26 -3.206 -11.073 -6.450 1.00 62.03 N +ATOM 207 N PHE A 27 1.326 -14.144 -6.111 1.00 77.31 N +ATOM 208 CA PHE A 27 2.139 -15.089 -6.917 1.00 78.19 C +ATOM 209 C PHE A 27 3.126 -15.997 -6.180 1.00 78.59 C +ATOM 210 O PHE A 27 3.669 -16.905 -6.796 1.00 72.16 O +ATOM 211 CB PHE A 27 2.866 -14.331 -8.028 1.00 73.24 C +ATOM 212 CG PHE A 27 1.993 -13.396 -8.819 1.00 74.80 C +ATOM 213 CD1 PHE A 27 0.871 -13.885 -9.508 1.00 68.25 C +ATOM 214 CD2 PHE A 27 2.288 -12.025 -8.865 1.00 69.76 C +ATOM 215 CE1 PHE A 27 0.042 -13.017 -10.233 1.00 64.28 C +ATOM 216 CE2 PHE A 27 1.459 -11.147 -9.595 1.00 67.64 C +ATOM 217 CZ PHE A 27 0.349 -11.646 -10.270 1.00 67.33 C +ATOM 218 N GLY A 28 3.350 -15.801 -4.876 1.00 80.72 N +ATOM 219 CA GLY A 28 4.395 -16.572 -4.219 1.00 81.29 C +ATOM 220 C GLY A 28 4.405 -16.525 -2.713 1.00 82.73 C +ATOM 221 O GLY A 28 3.537 -15.960 -2.066 1.00 80.64 O +ATOM 222 N LYS A 29 5.427 -17.147 -2.175 1.00 87.66 N +ATOM 223 CA LYS A 29 5.678 -17.255 -0.751 1.00 88.22 C +ATOM 224 C LYS A 29 6.893 -16.419 -0.368 1.00 88.94 C +ATOM 225 O LYS A 29 7.901 -16.478 -1.064 1.00 87.10 O +ATOM 226 CB LYS A 29 5.872 -18.735 -0.412 1.00 85.91 C +ATOM 227 CG LYS A 29 5.868 -18.980 1.091 1.00 78.31 C +ATOM 228 CD LYS A 29 6.010 -20.475 1.388 1.00 73.18 C +ATOM 229 CE LYS A 29 5.707 -20.702 2.851 1.00 67.32 C +ATOM 230 NZ LYS A 29 5.918 -22.104 3.279 1.00 61.73 N1+ +ATOM 231 N VAL A 30 6.824 -15.702 0.735 1.00 91.53 N +ATOM 232 CA VAL A 30 7.935 -14.932 1.294 1.00 91.75 C +ATOM 233 C VAL A 30 8.488 -15.665 2.502 1.00 91.82 C +ATOM 234 O VAL A 30 7.751 -16.066 3.395 1.00 91.21 O +ATOM 235 CB VAL A 30 7.536 -13.488 1.631 1.00 91.24 C +ATOM 236 CG1 VAL A 30 6.917 -12.778 0.433 1.00 90.27 C +ATOM 237 CG2 VAL A 30 8.766 -12.673 2.058 1.00 90.07 C +ATOM 238 N SER A 31 9.795 -15.841 2.530 1.00 93.34 N +ATOM 239 CA SER A 31 10.500 -16.478 3.631 1.00 93.33 C +ATOM 240 C SER A 31 11.678 -15.644 4.090 1.00 93.54 C +ATOM 241 O SER A 31 12.327 -14.973 3.297 1.00 92.80 O +ATOM 242 CB SER A 31 10.970 -17.867 3.228 1.00 92.63 C +ATOM 243 OG SER A 31 9.889 -18.674 2.782 1.00 89.82 O +ATOM 244 N LEU A 32 11.983 -15.694 5.370 1.00 93.36 N +ATOM 245 CA LEU A 32 13.205 -15.126 5.935 1.00 93.53 C +ATOM 246 C LEU A 32 14.382 -16.086 5.671 1.00 93.55 C +ATOM 247 O LEU A 32 14.282 -17.278 5.974 1.00 93.06 O +ATOM 248 CB LEU A 32 13.001 -14.908 7.439 1.00 93.36 C +ATOM 249 CG LEU A 32 14.229 -14.353 8.172 1.00 92.61 C +ATOM 250 CD1 LEU A 32 13.923 -14.229 9.671 1.00 91.92 C +ATOM 251 CD2 LEU A 32 14.649 -12.967 7.675 1.00 91.76 C +ATOM 252 N TYR A 33 15.454 -15.534 5.167 1.00 93.80 N +ATOM 253 CA TYR A 33 16.723 -16.215 4.984 1.00 93.78 C +ATOM 254 C TYR A 33 17.849 -15.408 5.616 1.00 93.86 C +ATOM 255 O TYR A 33 17.806 -14.196 5.668 1.00 93.41 O +ATOM 256 CB TYR A 33 16.994 -16.442 3.500 1.00 93.41 C +ATOM 257 CG TYR A 33 16.165 -17.527 2.835 1.00 93.07 C +ATOM 258 CD1 TYR A 33 16.779 -18.750 2.517 1.00 91.84 C +ATOM 259 CD2 TYR A 33 14.820 -17.338 2.526 1.00 91.65 C +ATOM 260 CE1 TYR A 33 16.039 -19.773 1.883 1.00 90.74 C +ATOM 261 CE2 TYR A 33 14.065 -18.334 1.889 1.00 90.72 C +ATOM 262 CZ TYR A 33 14.681 -19.543 1.565 1.00 90.96 C +ATOM 263 OH TYR A 33 13.946 -20.532 0.937 1.00 89.92 O +ATOM 264 N CYS A 34 18.886 -16.093 6.023 1.00 93.31 N +ATOM 265 CA CYS A 34 20.209 -15.521 6.222 1.00 93.34 C +ATOM 266 C CYS A 34 21.022 -15.726 4.944 1.00 93.45 C +ATOM 267 O CYS A 34 21.156 -16.876 4.505 1.00 92.45 O +ATOM 268 CB CYS A 34 20.836 -16.177 7.439 1.00 92.16 C +ATOM 269 SG CYS A 34 22.476 -15.483 7.790 1.00 88.00 S +ATOM 270 N TYR A 35 21.569 -14.655 4.390 1.00 92.00 N +ATOM 271 CA TYR A 35 22.522 -14.727 3.279 1.00 91.97 C +ATOM 272 C TYR A 35 23.942 -14.572 3.814 1.00 91.58 C +ATOM 273 O TYR A 35 24.337 -13.482 4.219 1.00 90.80 O +ATOM 274 CB TYR A 35 22.180 -13.676 2.221 1.00 92.14 C +ATOM 275 CG TYR A 35 23.043 -13.828 0.981 1.00 93.04 C +ATOM 276 CD1 TYR A 35 22.857 -14.967 0.160 1.00 92.35 C +ATOM 277 CD2 TYR A 35 24.027 -12.892 0.626 1.00 92.44 C +ATOM 278 CE1 TYR A 35 23.640 -15.152 -0.985 1.00 91.98 C +ATOM 279 CE2 TYR A 35 24.816 -13.075 -0.524 1.00 92.05 C +ATOM 280 CZ TYR A 35 24.623 -14.199 -1.337 1.00 92.21 C +ATOM 281 OH TYR A 35 25.365 -14.375 -2.471 1.00 91.12 O +ATOM 282 N ASP A 36 24.676 -15.640 3.809 1.00 88.86 N +ATOM 283 CA ASP A 36 26.012 -15.717 4.432 1.00 89.08 C +ATOM 284 C ASP A 36 27.061 -16.204 3.432 1.00 88.81 C +ATOM 285 O ASP A 36 27.415 -17.398 3.414 1.00 87.56 O +ATOM 286 CB ASP A 36 25.886 -16.583 5.683 1.00 88.35 C +ATOM 287 CG ASP A 36 27.157 -16.614 6.530 1.00 89.14 C +ATOM 288 OD1 ASP A 36 28.059 -15.797 6.261 1.00 85.14 O +ATOM 289 OD2 ASP A 36 27.183 -17.423 7.464 1.00 84.34 O +ATOM 290 N PRO A 37 27.575 -15.337 2.546 1.00 87.79 N +ATOM 291 CA PRO A 37 28.515 -15.724 1.523 1.00 87.25 C +ATOM 292 C PRO A 37 29.912 -16.061 2.081 1.00 87.10 C +ATOM 293 O PRO A 37 30.659 -16.795 1.431 1.00 84.26 O +ATOM 294 CB PRO A 37 28.585 -14.554 0.562 1.00 85.47 C +ATOM 295 CG PRO A 37 28.202 -13.363 1.418 1.00 84.21 C +ATOM 296 CD PRO A 37 27.211 -13.964 2.401 1.00 86.64 C +ATOM 297 N THR A 38 30.260 -15.552 3.237 1.00 85.50 N +ATOM 298 CA THR A 38 31.512 -15.838 3.913 1.00 84.89 C +ATOM 299 C THR A 38 31.460 -17.101 4.775 1.00 84.71 C +ATOM 300 O THR A 38 32.495 -17.694 5.070 1.00 81.82 O +ATOM 301 CB THR A 38 31.978 -14.656 4.759 1.00 82.61 C +ATOM 302 OG1 THR A 38 30.948 -14.230 5.608 1.00 77.55 O +ATOM 303 CG2 THR A 38 32.354 -13.459 3.903 1.00 78.00 C +ATOM 304 N ASN A 39 30.291 -17.548 5.101 1.00 81.92 N +ATOM 305 CA ASN A 39 29.967 -18.736 5.872 1.00 81.49 C +ATOM 306 C ASN A 39 30.578 -18.696 7.311 1.00 81.70 C +ATOM 307 O ASN A 39 30.921 -19.713 7.881 1.00 78.51 O +ATOM 308 CB ASN A 39 30.343 -19.984 5.054 1.00 78.64 C +ATOM 309 CG ASN A 39 29.328 -21.099 5.124 1.00 76.54 C +ATOM 310 OD1 ASN A 39 28.259 -21.029 5.705 1.00 68.44 O +ATOM 311 ND2 ASN A 39 29.654 -22.192 4.495 1.00 67.96 N +ATOM 312 N ASP A 40 30.665 -17.488 7.849 1.00 80.94 N +ATOM 313 CA ASP A 40 31.245 -17.191 9.149 1.00 80.35 C +ATOM 314 C ASP A 40 30.185 -16.840 10.226 1.00 80.85 C +ATOM 315 O ASP A 40 30.515 -16.549 11.380 1.00 77.12 O +ATOM 316 CB ASP A 40 32.278 -16.080 9.033 1.00 78.20 C +ATOM 317 CG ASP A 40 31.689 -14.729 8.563 1.00 78.19 C +ATOM 318 OD1 ASP A 40 30.465 -14.604 8.447 1.00 71.67 O +ATOM 319 OD2 ASP A 40 32.505 -13.809 8.325 1.00 72.59 O +ATOM 320 N GLY A 41 28.913 -16.889 9.877 1.00 79.35 N +ATOM 321 CA GLY A 41 27.785 -16.550 10.739 1.00 79.33 C +ATOM 322 C GLY A 41 27.428 -15.083 10.798 1.00 81.07 C +ATOM 323 O GLY A 41 26.508 -14.720 11.533 1.00 78.25 O +ATOM 324 N THR A 42 28.090 -14.208 10.041 1.00 83.10 N +ATOM 325 CA THR A 42 27.823 -12.765 9.966 1.00 83.16 C +ATOM 326 C THR A 42 26.832 -12.389 8.856 1.00 83.81 C +ATOM 327 O THR A 42 26.734 -11.246 8.455 1.00 80.27 O +ATOM 328 CB THR A 42 29.108 -11.955 9.843 1.00 80.91 C +ATOM 329 OG1 THR A 42 29.749 -12.192 8.607 1.00 76.55 O +ATOM 330 CG2 THR A 42 30.076 -12.234 10.978 1.00 76.27 C +ATOM 331 N GLY A 43 26.149 -13.361 8.327 1.00 87.11 N +ATOM 332 CA GLY A 43 25.232 -13.185 7.193 1.00 87.39 C +ATOM 333 C GLY A 43 24.110 -12.170 7.407 1.00 88.40 C +ATOM 334 O GLY A 43 23.649 -11.932 8.508 1.00 86.45 O +ATOM 335 N GLU A 44 23.673 -11.609 6.302 1.00 90.51 N +ATOM 336 CA GLU A 44 22.601 -10.619 6.288 1.00 91.03 C +ATOM 337 C GLU A 44 21.236 -11.287 6.272 1.00 91.95 C +ATOM 338 O GLU A 44 20.984 -12.225 5.520 1.00 90.23 O +ATOM 339 CB GLU A 44 22.798 -9.716 5.070 1.00 88.76 C +ATOM 340 CG GLU A 44 21.761 -8.590 5.034 1.00 77.68 C +ATOM 341 CD GLU A 44 21.880 -7.656 3.816 1.00 73.35 C +ATOM 342 OE1 GLU A 44 21.140 -6.649 3.810 1.00 63.27 O +ATOM 343 OE2 GLU A 44 22.631 -7.924 2.874 1.00 59.85 O +ATOM 344 N MET A 45 20.285 -10.775 7.039 1.00 93.89 N +ATOM 345 CA MET A 45 18.890 -11.201 6.960 1.00 94.10 C +ATOM 346 C MET A 45 18.231 -10.582 5.724 1.00 94.56 C +ATOM 347 O MET A 45 18.276 -9.386 5.511 1.00 93.77 O +ATOM 348 CB MET A 45 18.127 -10.808 8.229 1.00 93.11 C +ATOM 349 CG MET A 45 18.691 -11.522 9.469 1.00 89.26 C +ATOM 350 SD MET A 45 18.547 -13.317 9.383 1.00 88.00 S +ATOM 351 CE MET A 45 19.926 -13.739 10.456 1.00 80.67 C +ATOM 352 N VAL A 46 17.583 -11.418 4.937 1.00 95.00 N +ATOM 353 CA VAL A 46 16.879 -11.019 3.720 1.00 95.08 C +ATOM 354 C VAL A 46 15.519 -11.683 3.664 1.00 95.15 C +ATOM 355 O VAL A 46 15.309 -12.797 4.128 1.00 94.86 O +ATOM 356 CB VAL A 46 17.693 -11.326 2.448 1.00 94.95 C +ATOM 357 CG1 VAL A 46 18.993 -10.506 2.404 1.00 94.52 C +ATOM 358 CG2 VAL A 46 18.049 -12.796 2.273 1.00 94.45 C +ATOM 359 N ALA A 47 14.562 -11.005 3.051 1.00 94.83 N +ATOM 360 CA ALA A 47 13.276 -11.598 2.693 1.00 94.69 C +ATOM 361 C ALA A 47 13.350 -12.096 1.247 1.00 94.76 C +ATOM 362 O ALA A 47 13.681 -11.362 0.332 1.00 94.57 O +ATOM 363 CB ALA A 47 12.169 -10.564 2.907 1.00 94.54 C +ATOM 364 N VAL A 48 13.016 -13.338 1.040 1.00 94.62 N +ATOM 365 CA VAL A 48 13.049 -13.973 -0.273 1.00 94.58 C +ATOM 366 C VAL A 48 11.643 -14.363 -0.685 1.00 94.37 C +ATOM 367 O VAL A 48 11.017 -15.184 -0.023 1.00 94.02 O +ATOM 368 CB VAL A 48 13.993 -15.176 -0.299 1.00 94.55 C +ATOM 369 CG1 VAL A 48 15.414 -14.795 0.135 1.00 94.09 C +ATOM 370 CG2 VAL A 48 14.069 -15.769 -1.693 1.00 94.13 C +ATOM 371 N LYS A 49 11.168 -13.794 -1.781 1.00 92.31 N +ATOM 372 CA LYS A 49 9.896 -14.173 -2.393 1.00 92.09 C +ATOM 373 C LYS A 49 10.142 -15.133 -3.546 1.00 91.95 C +ATOM 374 O LYS A 49 10.909 -14.836 -4.463 1.00 91.46 O +ATOM 375 CB LYS A 49 9.123 -12.917 -2.800 1.00 91.63 C +ATOM 376 CG LYS A 49 7.669 -13.203 -3.217 1.00 90.47 C +ATOM 377 CD LYS A 49 6.914 -11.879 -3.462 1.00 89.16 C +ATOM 378 CE LYS A 49 5.440 -12.102 -3.822 1.00 87.10 C +ATOM 379 NZ LYS A 49 4.743 -10.825 -4.134 1.00 83.57 N1+ +ATOM 380 N ALA A 50 9.517 -16.279 -3.484 1.00 91.20 N +ATOM 381 CA ALA A 50 9.607 -17.329 -4.481 1.00 90.91 C +ATOM 382 C ALA A 50 8.244 -17.545 -5.145 1.00 90.74 C +ATOM 383 O ALA A 50 7.218 -17.627 -4.473 1.00 89.29 O +ATOM 384 CB ALA A 50 10.117 -18.597 -3.814 1.00 89.91 C +ATOM 385 N LEU A 51 8.242 -17.664 -6.448 1.00 83.05 N +ATOM 386 CA LEU A 51 7.057 -18.075 -7.206 1.00 83.07 C +ATOM 387 C LEU A 51 6.729 -19.535 -6.906 1.00 82.30 C +ATOM 388 O LEU A 51 7.634 -20.375 -6.808 1.00 80.68 O +ATOM 389 CB LEU A 51 7.321 -17.841 -8.703 1.00 81.82 C +ATOM 390 CG LEU A 51 6.097 -18.068 -9.599 1.00 79.43 C +ATOM 391 CD1 LEU A 51 6.523 -18.020 -11.078 1.00 78.34 C +ATOM 392 CD2 LEU A 51 5.036 -17.004 -9.382 1.00 77.61 C +ATOM 393 N LYS A 52 5.458 -19.851 -6.790 1.00 79.80 N +ATOM 394 CA LYS A 52 5.002 -21.236 -6.616 1.00 78.77 C +ATOM 395 C LYS A 52 5.425 -22.091 -7.813 1.00 78.47 C +ATOM 396 O LYS A 52 5.382 -21.638 -8.945 1.00 76.10 O +ATOM 397 CB LYS A 52 3.484 -21.282 -6.406 1.00 75.72 C +ATOM 398 CG LYS A 52 3.085 -20.596 -5.097 1.00 71.25 C +ATOM 399 CD LYS A 52 1.564 -20.638 -4.855 1.00 66.96 C +ATOM 400 CE LYS A 52 1.246 -19.931 -3.542 1.00 60.11 C +ATOM 401 NZ LYS A 52 -0.200 -19.952 -3.206 1.00 54.98 N1+ +ATOM 402 N ALA A 53 5.834 -23.315 -7.560 1.00 79.79 N +ATOM 403 CA ALA A 53 6.406 -24.183 -8.580 1.00 79.36 C +ATOM 404 C ALA A 53 5.408 -24.561 -9.690 1.00 79.34 C +ATOM 405 O ALA A 53 5.803 -24.740 -10.836 1.00 76.55 O +ATOM 406 CB ALA A 53 6.955 -25.429 -7.868 1.00 77.59 C +ATOM 407 N ASP A 54 4.162 -24.662 -9.351 1.00 78.51 N +ATOM 408 CA ASP A 54 3.030 -24.981 -10.238 1.00 78.66 C +ATOM 409 C ASP A 54 2.423 -23.753 -10.906 1.00 79.58 C +ATOM 410 O ASP A 54 1.411 -23.858 -11.607 1.00 76.40 O +ATOM 411 CB ASP A 54 1.996 -25.771 -9.422 1.00 76.26 C +ATOM 412 CG ASP A 54 1.403 -24.978 -8.238 1.00 75.30 C +ATOM 413 OD1 ASP A 54 2.085 -24.088 -7.719 1.00 66.96 O +ATOM 414 OD2 ASP A 54 0.261 -25.318 -7.822 1.00 67.36 O +ATOM 415 N ALA A 55 3.010 -22.599 -10.757 1.00 79.06 N +ATOM 416 CA ALA A 55 2.526 -21.363 -11.350 1.00 80.08 C +ATOM 417 C ALA A 55 2.538 -21.448 -12.882 1.00 80.78 C +ATOM 418 O ALA A 55 3.552 -21.706 -13.515 1.00 76.92 O +ATOM 419 CB ALA A 55 3.339 -20.188 -10.835 1.00 76.95 C +ATOM 420 N GLY A 56 1.401 -21.134 -13.464 1.00 78.35 N +ATOM 421 CA GLY A 56 1.223 -21.103 -14.908 1.00 78.46 C +ATOM 422 C GLY A 56 1.976 -19.970 -15.602 1.00 79.81 C +ATOM 423 O GLY A 56 2.486 -19.064 -14.951 1.00 78.64 O +ATOM 424 N PRO A 57 2.013 -19.967 -16.922 1.00 82.17 N +ATOM 425 CA PRO A 57 2.748 -18.965 -17.707 1.00 82.14 C +ATOM 426 C PRO A 57 2.359 -17.523 -17.394 1.00 83.14 C +ATOM 427 O PRO A 57 3.214 -16.641 -17.368 1.00 82.06 O +ATOM 428 CB PRO A 57 2.445 -19.327 -19.176 1.00 80.00 C +ATOM 429 CG PRO A 57 2.153 -20.815 -19.141 1.00 79.96 C +ATOM 430 CD PRO A 57 1.467 -20.983 -17.787 1.00 82.61 C +ATOM 431 N GLN A 58 1.105 -17.292 -17.136 1.00 81.42 N +ATOM 432 CA GLN A 58 0.575 -15.975 -16.823 1.00 81.85 C +ATOM 433 C GLN A 58 1.127 -15.439 -15.496 1.00 82.23 C +ATOM 434 O GLN A 58 1.576 -14.288 -15.426 1.00 79.69 O +ATOM 435 CB GLN A 58 -0.942 -16.085 -16.806 1.00 79.38 C +ATOM 436 CG GLN A 58 -1.632 -14.753 -17.094 1.00 74.95 C +ATOM 437 CD GLN A 58 -3.147 -14.951 -17.152 1.00 70.43 C +ATOM 438 OE1 GLN A 58 -3.699 -15.885 -16.616 1.00 59.95 O +ATOM 439 NE2 GLN A 58 -3.850 -14.104 -17.837 1.00 58.29 N +ATOM 440 N HIS A 59 1.215 -16.283 -14.485 1.00 82.68 N +ATOM 441 CA HIS A 59 1.829 -15.947 -13.206 1.00 83.45 C +ATOM 442 C HIS A 59 3.329 -15.726 -13.331 1.00 84.16 C +ATOM 443 O HIS A 59 3.862 -14.824 -12.691 1.00 82.49 O +ATOM 444 CB HIS A 59 1.529 -17.021 -12.177 1.00 81.66 C +ATOM 445 CG HIS A 59 0.083 -17.077 -11.775 1.00 81.55 C +ATOM 446 ND1 HIS A 59 -0.681 -15.998 -11.391 1.00 70.77 N1+ +ATOM 447 CD2 HIS A 59 -0.708 -18.183 -11.690 1.00 71.54 C +ATOM 448 CE1 HIS A 59 -1.906 -16.442 -11.069 1.00 70.71 C +ATOM 449 NE2 HIS A 59 -1.971 -17.771 -11.250 1.00 72.40 N +ATOM 450 N ARG A 60 3.988 -16.464 -14.185 1.00 82.46 N +ATOM 451 CA ARG A 60 5.422 -16.255 -14.465 1.00 83.01 C +ATOM 452 C ARG A 60 5.689 -14.927 -15.160 1.00 83.61 C +ATOM 453 O ARG A 60 6.689 -14.286 -14.828 1.00 83.66 O +ATOM 454 CB ARG A 60 5.955 -17.402 -15.336 1.00 82.35 C +ATOM 455 CG ARG A 60 5.953 -18.727 -14.578 1.00 79.66 C +ATOM 456 CD ARG A 60 6.469 -19.868 -15.480 1.00 80.46 C +ATOM 457 NE ARG A 60 6.472 -21.166 -14.772 1.00 76.53 N +ATOM 458 CZ ARG A 60 7.431 -21.627 -13.966 1.00 71.81 C +ATOM 459 NH1 ARG A 60 8.543 -20.960 -13.764 1.00 67.50 N +ATOM 460 NH2 ARG A 60 7.272 -22.739 -13.344 1.00 69.06 N1+ +ATOM 461 N SER A 61 4.837 -14.515 -16.048 1.00 82.07 N +ATOM 462 CA SER A 61 4.913 -13.186 -16.658 1.00 81.64 C +ATOM 463 C SER A 61 4.692 -12.078 -15.649 1.00 82.40 C +ATOM 464 O SER A 61 5.521 -11.175 -15.545 1.00 79.43 O +ATOM 465 CB SER A 61 3.912 -13.084 -17.819 1.00 78.79 C +ATOM 466 OG SER A 61 4.120 -11.859 -18.519 1.00 70.79 O +ATOM 467 N GLY A 62 3.657 -12.179 -14.831 1.00 84.49 N +ATOM 468 CA GLY A 62 3.400 -11.243 -13.736 1.00 84.83 C +ATOM 469 C GLY A 62 4.528 -11.183 -12.724 1.00 86.12 C +ATOM 470 O GLY A 62 4.892 -10.095 -12.273 1.00 84.21 O +ATOM 471 N TRP A 63 5.142 -12.304 -12.435 1.00 88.31 N +ATOM 472 CA TRP A 63 6.293 -12.389 -11.537 1.00 89.48 C +ATOM 473 C TRP A 63 7.513 -11.641 -12.056 1.00 90.56 C +ATOM 474 O TRP A 63 8.142 -10.882 -11.307 1.00 90.78 O +ATOM 475 CB TRP A 63 6.636 -13.867 -11.320 1.00 89.00 C +ATOM 476 CG TRP A 63 7.802 -14.098 -10.430 1.00 89.61 C +ATOM 477 CD1 TRP A 63 8.893 -14.859 -10.730 1.00 86.80 C +ATOM 478 CD2 TRP A 63 8.033 -13.574 -9.098 1.00 88.07 C +ATOM 479 NE1 TRP A 63 9.770 -14.850 -9.640 1.00 85.04 N +ATOM 480 CE2 TRP A 63 9.271 -14.067 -8.628 1.00 86.56 C +ATOM 481 CE3 TRP A 63 7.288 -12.727 -8.250 1.00 85.63 C +ATOM 482 CZ2 TRP A 63 9.765 -13.732 -7.333 1.00 83.07 C +ATOM 483 CZ3 TRP A 63 7.778 -12.383 -6.984 1.00 77.72 C +ATOM 484 CH2 TRP A 63 9.005 -12.883 -6.537 1.00 78.01 C +ATOM 485 N LYS A 64 7.845 -11.795 -13.327 1.00 88.02 N +ATOM 486 CA LYS A 64 8.926 -11.015 -13.949 1.00 88.13 C +ATOM 487 C LYS A 64 8.642 -9.521 -13.890 1.00 88.83 C +ATOM 488 O LYS A 64 9.539 -8.761 -13.533 1.00 86.97 O +ATOM 489 CB LYS A 64 9.160 -11.446 -15.399 1.00 85.69 C +ATOM 490 CG LYS A 64 9.917 -12.771 -15.493 1.00 76.13 C +ATOM 491 CD LYS A 64 10.214 -13.097 -16.970 1.00 71.31 C +ATOM 492 CE LYS A 64 11.035 -14.362 -17.081 1.00 63.01 C +ATOM 493 NZ LYS A 64 11.414 -14.659 -18.509 1.00 55.19 N1+ +ATOM 494 N GLN A 65 7.423 -9.120 -14.158 1.00 89.59 N +ATOM 495 CA GLN A 65 7.032 -7.711 -14.047 1.00 90.12 C +ATOM 496 C GLN A 65 7.179 -7.176 -12.634 1.00 91.11 C +ATOM 497 O GLN A 65 7.671 -6.072 -12.472 1.00 90.60 O +ATOM 498 CB GLN A 65 5.597 -7.516 -14.537 1.00 88.53 C +ATOM 499 CG GLN A 65 5.458 -7.705 -16.047 1.00 81.08 C +ATOM 500 CD GLN A 65 4.018 -7.510 -16.544 1.00 78.54 C +ATOM 501 OE1 GLN A 65 3.055 -7.499 -15.801 1.00 68.41 O +ATOM 502 NE2 GLN A 65 3.859 -7.345 -17.825 1.00 67.71 N +ATOM 503 N GLU A 66 6.821 -7.936 -11.621 1.00 90.71 N +ATOM 504 CA GLU A 66 7.016 -7.529 -10.221 1.00 91.21 C +ATOM 505 C GLU A 66 8.494 -7.290 -9.911 1.00 91.65 C +ATOM 506 O GLU A 66 8.836 -6.269 -9.323 1.00 90.14 O +ATOM 507 CB GLU A 66 6.412 -8.589 -9.284 1.00 89.35 C +ATOM 508 CG GLU A 66 6.585 -8.219 -7.807 1.00 82.90 C +ATOM 509 CD GLU A 66 5.944 -9.199 -6.810 1.00 82.50 C +ATOM 510 OE1 GLU A 66 6.087 -8.988 -5.606 1.00 68.25 O +ATOM 511 OE2 GLU A 66 5.286 -10.182 -7.216 1.00 66.08 O +ATOM 512 N ILE A 67 9.343 -8.185 -10.340 1.00 93.80 N +ATOM 513 CA ILE A 67 10.796 -8.044 -10.158 1.00 94.07 C +ATOM 514 C ILE A 67 11.320 -6.820 -10.902 1.00 94.05 C +ATOM 515 O ILE A 67 12.078 -6.036 -10.324 1.00 93.74 O +ATOM 516 CB ILE A 67 11.531 -9.334 -10.613 1.00 94.03 C +ATOM 517 CG1 ILE A 67 11.172 -10.502 -9.679 1.00 93.42 C +ATOM 518 CG2 ILE A 67 13.054 -9.117 -10.629 1.00 93.38 C +ATOM 519 CD1 ILE A 67 11.662 -11.874 -10.181 1.00 91.31 C +ATOM 520 N ASP A 68 10.916 -6.639 -12.139 1.00 93.82 N +ATOM 521 CA ASP A 68 11.382 -5.524 -12.968 1.00 93.73 C +ATOM 522 C ASP A 68 10.928 -4.176 -12.394 1.00 93.98 C +ATOM 523 O ASP A 68 11.742 -3.264 -12.308 1.00 93.07 O +ATOM 524 CB ASP A 68 10.908 -5.708 -14.408 1.00 92.96 C +ATOM 525 CG ASP A 68 11.620 -6.835 -15.150 1.00 90.21 C +ATOM 526 OD1 ASP A 68 12.759 -7.184 -14.767 1.00 85.56 O +ATOM 527 OD2 ASP A 68 11.039 -7.318 -16.163 1.00 83.43 O +ATOM 528 N ILE A 69 9.706 -4.089 -11.925 1.00 94.51 N +ATOM 529 CA ILE A 69 9.208 -2.888 -11.245 1.00 94.60 C +ATOM 530 C ILE A 69 10.043 -2.620 -10.007 1.00 94.70 C +ATOM 531 O ILE A 69 10.678 -1.577 -9.913 1.00 94.46 O +ATOM 532 CB ILE A 69 7.702 -3.002 -10.932 1.00 94.65 C +ATOM 533 CG1 ILE A 69 6.887 -2.923 -12.241 1.00 94.13 C +ATOM 534 CG2 ILE A 69 7.242 -1.895 -9.969 1.00 94.25 C +ATOM 535 CD1 ILE A 69 5.416 -3.343 -12.087 1.00 92.23 C +ATOM 536 N LEU A 70 10.111 -3.558 -9.072 1.00 95.57 N +ATOM 537 CA LEU A 70 10.801 -3.336 -7.800 1.00 95.54 C +ATOM 538 C LEU A 70 12.282 -2.998 -7.982 1.00 95.55 C +ATOM 539 O LEU A 70 12.814 -2.173 -7.244 1.00 95.02 O +ATOM 540 CB LEU A 70 10.596 -4.561 -6.896 1.00 95.20 C +ATOM 541 CG LEU A 70 11.084 -4.337 -5.450 1.00 94.03 C +ATOM 542 CD1 LEU A 70 10.932 -5.619 -4.635 1.00 92.79 C +ATOM 543 CD2 LEU A 70 10.269 -3.255 -4.736 1.00 92.14 C +ATOM 544 N ARG A 71 12.916 -3.542 -8.991 1.00 95.17 N +ATOM 545 CA ARG A 71 14.308 -3.235 -9.357 1.00 95.02 C +ATOM 546 C ARG A 71 14.522 -1.762 -9.692 1.00 95.27 C +ATOM 547 O ARG A 71 15.614 -1.261 -9.467 1.00 94.38 O +ATOM 548 CB ARG A 71 14.697 -4.148 -10.518 1.00 93.85 C +ATOM 549 CG ARG A 71 16.167 -3.948 -10.968 1.00 87.37 C +ATOM 550 CD ARG A 71 16.531 -4.853 -12.153 1.00 83.83 C +ATOM 551 NE ARG A 71 16.726 -6.247 -11.709 1.00 78.92 N +ATOM 552 CZ ARG A 71 16.998 -7.294 -12.488 1.00 75.66 C +ATOM 553 NH1 ARG A 71 17.053 -7.176 -13.781 1.00 69.52 N +ATOM 554 NH2 ARG A 71 17.197 -8.459 -11.975 1.00 68.75 N1+ +ATOM 555 N THR A 72 13.515 -1.100 -10.233 1.00 94.27 N +ATOM 556 CA THR A 72 13.615 0.311 -10.630 1.00 93.92 C +ATOM 557 C THR A 72 13.327 1.297 -9.506 1.00 94.15 C +ATOM 558 O THR A 72 13.591 2.488 -9.654 1.00 92.89 O +ATOM 559 CB THR A 72 12.712 0.635 -11.830 1.00 92.42 C +ATOM 560 OG1 THR A 72 11.342 0.567 -11.514 1.00 85.06 O +ATOM 561 CG2 THR A 72 12.979 -0.266 -13.029 1.00 83.59 C +ATOM 562 N LEU A 73 12.802 0.840 -8.389 1.00 95.24 N +ATOM 563 CA LEU A 73 12.314 1.694 -7.313 1.00 95.24 C +ATOM 564 C LEU A 73 13.381 1.917 -6.228 1.00 95.24 C +ATOM 565 O LEU A 73 13.934 0.974 -5.666 1.00 94.84 O +ATOM 566 CB LEU A 73 11.038 1.099 -6.718 1.00 95.29 C +ATOM 567 CG LEU A 73 9.867 0.941 -7.715 1.00 95.08 C +ATOM 568 CD1 LEU A 73 8.679 0.310 -7.000 1.00 94.72 C +ATOM 569 CD2 LEU A 73 9.439 2.263 -8.332 1.00 94.45 C +ATOM 570 N TYR A 74 13.603 3.176 -5.900 1.00 95.73 N +ATOM 571 CA TYR A 74 14.521 3.599 -4.841 1.00 95.30 C +ATOM 572 C TYR A 74 13.910 4.727 -4.034 1.00 95.50 C +ATOM 573 O TYR A 74 14.016 5.898 -4.382 1.00 94.34 O +ATOM 574 CB TYR A 74 15.869 4.046 -5.445 1.00 93.87 C +ATOM 575 CG TYR A 74 16.638 2.921 -6.089 1.00 87.04 C +ATOM 576 CD1 TYR A 74 17.510 2.134 -5.309 1.00 81.14 C +ATOM 577 CD2 TYR A 74 16.513 2.662 -7.467 1.00 77.85 C +ATOM 578 CE1 TYR A 74 18.239 1.086 -5.905 1.00 72.10 C +ATOM 579 CE2 TYR A 74 17.207 1.607 -8.059 1.00 69.02 C +ATOM 580 CZ TYR A 74 18.060 0.824 -7.279 1.00 67.36 C +ATOM 581 OH TYR A 74 18.770 -0.206 -7.871 1.00 65.34 O +ATOM 582 N HIS A 75 13.275 4.368 -2.940 1.00 96.32 N +ATOM 583 CA HIS A 75 12.681 5.333 -2.029 1.00 96.25 C +ATOM 584 C HIS A 75 12.682 4.774 -0.601 1.00 96.32 C +ATOM 585 O HIS A 75 12.525 3.567 -0.407 1.00 96.00 O +ATOM 586 CB HIS A 75 11.262 5.654 -2.506 1.00 96.11 C +ATOM 587 CG HIS A 75 10.662 6.824 -1.799 1.00 95.95 C +ATOM 588 ND1 HIS A 75 9.874 6.773 -0.674 1.00 94.81 N1+ +ATOM 589 CD2 HIS A 75 10.824 8.140 -2.123 1.00 94.65 C +ATOM 590 CE1 HIS A 75 9.575 8.027 -0.324 1.00 94.29 C +ATOM 591 NE2 HIS A 75 10.143 8.884 -1.175 1.00 94.59 N +ATOM 592 N GLU A 76 12.827 5.624 0.398 1.00 96.40 N +ATOM 593 CA GLU A 76 12.938 5.192 1.796 1.00 96.19 C +ATOM 594 C GLU A 76 11.669 4.534 2.330 1.00 96.48 C +ATOM 595 O GLU A 76 11.735 3.691 3.222 1.00 96.02 O +ATOM 596 CB GLU A 76 13.381 6.374 2.672 1.00 95.25 C +ATOM 597 CG GLU A 76 12.366 7.509 2.734 1.00 89.28 C +ATOM 598 CD GLU A 76 12.853 8.710 3.542 1.00 84.76 C +ATOM 599 OE1 GLU A 76 12.528 9.854 3.143 1.00 70.96 O +ATOM 600 OE2 GLU A 76 13.531 8.471 4.567 1.00 67.61 O +ATOM 601 N HIS A 77 10.531 4.844 1.732 1.00 96.66 N +ATOM 602 CA HIS A 77 9.232 4.267 2.085 1.00 96.76 C +ATOM 603 C HIS A 77 8.766 3.154 1.130 1.00 96.91 C +ATOM 604 O HIS A 77 7.591 2.790 1.119 1.00 96.73 O +ATOM 605 CB HIS A 77 8.197 5.387 2.223 1.00 96.63 C +ATOM 606 CG HIS A 77 8.589 6.400 3.247 1.00 96.49 C +ATOM 607 ND1 HIS A 77 9.054 6.130 4.529 1.00 95.73 N1+ +ATOM 608 CD2 HIS A 77 8.615 7.749 3.085 1.00 95.48 C +ATOM 609 CE1 HIS A 77 9.347 7.279 5.109 1.00 94.98 C +ATOM 610 NE2 HIS A 77 9.099 8.297 4.270 1.00 95.20 N +ATOM 611 N ILE A 78 9.661 2.600 0.348 1.00 96.76 N +ATOM 612 CA ILE A 78 9.416 1.407 -0.472 1.00 96.71 C +ATOM 613 C ILE A 78 10.421 0.323 -0.070 1.00 96.73 C +ATOM 614 O ILE A 78 11.601 0.601 0.151 1.00 96.44 O +ATOM 615 CB ILE A 78 9.473 1.758 -1.973 1.00 96.54 C +ATOM 616 CG1 ILE A 78 8.281 2.679 -2.316 1.00 95.84 C +ATOM 617 CG2 ILE A 78 9.459 0.503 -2.857 1.00 95.61 C +ATOM 618 CD1 ILE A 78 8.227 3.147 -3.765 1.00 93.73 C +ATOM 619 N ILE A 79 9.956 -0.908 0.001 1.00 96.34 N +ATOM 620 CA ILE A 79 10.831 -2.037 0.301 1.00 96.26 C +ATOM 621 C ILE A 79 11.976 -2.108 -0.706 1.00 96.43 C +ATOM 622 O ILE A 79 11.779 -2.011 -1.920 1.00 96.01 O +ATOM 623 CB ILE A 79 10.031 -3.345 0.390 1.00 95.66 C +ATOM 624 CG1 ILE A 79 10.902 -4.443 1.003 1.00 91.56 C +ATOM 625 CG2 ILE A 79 9.454 -3.779 -0.971 1.00 90.42 C +ATOM 626 CD1 ILE A 79 10.130 -5.700 1.392 1.00 84.63 C +ATOM 627 N LYS A 80 13.181 -2.269 -0.213 1.00 95.85 N +ATOM 628 CA LYS A 80 14.377 -2.238 -1.044 1.00 95.65 C +ATOM 629 C LYS A 80 14.587 -3.556 -1.784 1.00 95.96 C +ATOM 630 O LYS A 80 14.694 -4.612 -1.155 1.00 95.53 O +ATOM 631 CB LYS A 80 15.579 -1.863 -0.174 1.00 94.71 C +ATOM 632 CG LYS A 80 16.851 -1.662 -1.001 1.00 88.62 C +ATOM 633 CD LYS A 80 17.997 -1.204 -0.105 1.00 83.95 C +ATOM 634 CE LYS A 80 19.266 -1.009 -0.947 1.00 76.54 C +ATOM 635 NZ LYS A 80 20.383 -0.488 -0.127 1.00 69.35 N1+ +ATOM 636 N TYR A 81 14.689 -3.478 -3.097 1.00 95.37 N +ATOM 637 CA TYR A 81 15.229 -4.558 -3.911 1.00 95.44 C +ATOM 638 C TYR A 81 16.705 -4.777 -3.576 1.00 95.41 C +ATOM 639 O TYR A 81 17.470 -3.822 -3.506 1.00 95.00 O +ATOM 640 CB TYR A 81 15.054 -4.199 -5.385 1.00 95.41 C +ATOM 641 CG TYR A 81 15.681 -5.196 -6.330 1.00 95.45 C +ATOM 642 CD1 TYR A 81 14.995 -6.368 -6.679 1.00 95.02 C +ATOM 643 CD2 TYR A 81 16.968 -4.953 -6.877 1.00 95.06 C +ATOM 644 CE1 TYR A 81 15.573 -7.289 -7.578 1.00 94.54 C +ATOM 645 CE2 TYR A 81 17.547 -5.857 -7.773 1.00 94.53 C +ATOM 646 CZ TYR A 81 16.838 -7.017 -8.114 1.00 94.67 C +ATOM 647 OH TYR A 81 17.407 -7.897 -9.019 1.00 93.90 O +ATOM 648 N LYS A 82 17.087 -6.005 -3.401 1.00 95.47 N +ATOM 649 CA LYS A 82 18.496 -6.395 -3.188 1.00 95.13 C +ATOM 650 C LYS A 82 19.067 -7.177 -4.358 1.00 95.23 C +ATOM 651 O LYS A 82 20.233 -7.017 -4.683 1.00 94.27 O +ATOM 652 CB LYS A 82 18.640 -7.178 -1.897 1.00 94.12 C +ATOM 653 CG LYS A 82 18.432 -6.270 -0.691 1.00 89.50 C +ATOM 654 CD LYS A 82 18.993 -6.926 0.560 1.00 86.59 C +ATOM 655 CE LYS A 82 19.141 -5.879 1.660 1.00 82.00 C +ATOM 656 NZ LYS A 82 20.333 -6.111 2.474 1.00 76.91 N1+ +ATOM 657 N GLY A 83 18.250 -7.988 -4.980 1.00 94.85 N +ATOM 658 CA GLY A 83 18.701 -8.797 -6.107 1.00 94.69 C +ATOM 659 C GLY A 83 17.788 -9.967 -6.394 1.00 94.92 C +ATOM 660 O GLY A 83 16.656 -10.049 -5.930 1.00 94.43 O +ATOM 661 N CYS A 84 18.315 -10.907 -7.162 1.00 92.90 N +ATOM 662 CA CYS A 84 17.647 -12.155 -7.487 1.00 92.80 C +ATOM 663 C CYS A 84 18.556 -13.353 -7.164 1.00 92.76 C +ATOM 664 O CYS A 84 19.795 -13.271 -7.226 1.00 91.56 O +ATOM 665 CB CYS A 84 17.240 -12.158 -8.952 1.00 91.98 C +ATOM 666 SG CYS A 84 15.847 -11.016 -9.210 1.00 89.30 S +ATOM 667 N CYS A 85 17.927 -14.450 -6.893 1.00 91.45 N +ATOM 668 CA CYS A 85 18.572 -15.742 -6.803 1.00 91.21 C +ATOM 669 C CYS A 85 17.965 -16.696 -7.835 1.00 90.99 C +ATOM 670 O CYS A 85 16.749 -16.729 -8.003 1.00 89.30 O +ATOM 671 CB CYS A 85 18.393 -16.288 -5.376 1.00 89.78 C +ATOM 672 SG CYS A 85 19.198 -17.892 -5.201 1.00 85.83 S +ATOM 673 N GLU A 86 18.794 -17.452 -8.535 1.00 88.31 N +ATOM 674 CA GLU A 86 18.296 -18.487 -9.427 1.00 86.99 C +ATOM 675 C GLU A 86 17.608 -19.587 -8.610 1.00 87.13 C +ATOM 676 O GLU A 86 18.164 -20.114 -7.649 1.00 84.08 O +ATOM 677 CB GLU A 86 19.429 -19.095 -10.246 1.00 84.03 C +ATOM 678 CG GLU A 86 19.965 -18.156 -11.292 1.00 77.51 C +ATOM 679 CD GLU A 86 20.990 -18.819 -12.256 1.00 76.24 C +ATOM 680 OE1 GLU A 86 21.299 -18.175 -13.255 1.00 65.13 O +ATOM 681 OE2 GLU A 86 21.427 -19.935 -11.967 1.00 64.25 O +ATOM 682 N ASP A 87 16.415 -19.942 -9.034 1.00 85.35 N +ATOM 683 CA ASP A 87 15.676 -21.042 -8.473 1.00 85.02 C +ATOM 684 C ASP A 87 15.427 -22.126 -9.527 1.00 85.06 C +ATOM 685 O ASP A 87 14.414 -22.131 -10.215 1.00 82.14 O +ATOM 686 CB ASP A 87 14.389 -20.551 -7.825 1.00 82.75 C +ATOM 687 CG ASP A 87 13.664 -21.654 -7.050 1.00 82.74 C +ATOM 688 OD1 ASP A 87 14.136 -22.819 -7.063 1.00 77.32 O +ATOM 689 OD2 ASP A 87 12.644 -21.334 -6.420 1.00 77.59 O +ATOM 690 N ALA A 88 16.377 -23.003 -9.651 1.00 85.68 N +ATOM 691 CA ALA A 88 16.304 -24.121 -10.589 1.00 85.15 C +ATOM 692 C ALA A 88 15.117 -25.056 -10.299 1.00 85.32 C +ATOM 693 O ALA A 88 14.554 -25.636 -11.229 1.00 81.69 O +ATOM 694 CB ALA A 88 17.635 -24.859 -10.561 1.00 83.12 C +ATOM 695 N GLY A 89 14.733 -25.161 -9.042 1.00 83.35 N +ATOM 696 CA GLY A 89 13.616 -26.004 -8.631 1.00 82.75 C +ATOM 697 C GLY A 89 12.276 -25.533 -9.169 1.00 83.73 C +ATOM 698 O GLY A 89 11.459 -26.362 -9.547 1.00 80.71 O +ATOM 699 N ALA A 90 12.076 -24.235 -9.231 1.00 81.89 N +ATOM 700 CA ALA A 90 10.866 -23.625 -9.788 1.00 81.98 C +ATOM 701 C ALA A 90 11.011 -23.170 -11.240 1.00 83.04 C +ATOM 702 O ALA A 90 10.062 -22.609 -11.791 1.00 79.06 O +ATOM 703 CB ALA A 90 10.424 -22.513 -8.852 1.00 78.80 C +ATOM 704 N ALA A 91 12.149 -23.346 -11.856 1.00 82.68 N +ATOM 705 CA ALA A 91 12.492 -22.803 -13.170 1.00 83.13 C +ATOM 706 C ALA A 91 12.209 -21.305 -13.284 1.00 84.80 C +ATOM 707 O ALA A 91 11.685 -20.795 -14.282 1.00 82.42 O +ATOM 708 CB ALA A 91 11.845 -23.650 -14.263 1.00 80.32 C +ATOM 709 N SER A 92 12.531 -20.546 -12.234 1.00 85.87 N +ATOM 710 CA SER A 92 12.280 -19.111 -12.118 1.00 86.31 C +ATOM 711 C SER A 92 13.351 -18.438 -11.256 1.00 87.49 C +ATOM 712 O SER A 92 14.247 -19.097 -10.722 1.00 86.24 O +ATOM 713 CB SER A 92 10.882 -18.874 -11.529 1.00 83.74 C +ATOM 714 OG SER A 92 10.767 -19.310 -10.198 1.00 76.75 O +ATOM 715 N LEU A 93 13.232 -17.127 -11.106 1.00 89.47 N +ATOM 716 CA LEU A 93 14.046 -16.375 -10.161 1.00 90.35 C +ATOM 717 C LEU A 93 13.294 -16.198 -8.841 1.00 90.96 C +ATOM 718 O LEU A 93 12.085 -16.002 -8.819 1.00 89.82 O +ATOM 719 CB LEU A 93 14.408 -15.016 -10.764 1.00 88.76 C +ATOM 720 CG LEU A 93 15.268 -15.101 -12.038 1.00 83.52 C +ATOM 721 CD1 LEU A 93 15.502 -13.680 -12.585 1.00 80.05 C +ATOM 722 CD2 LEU A 93 16.634 -15.741 -11.772 1.00 78.80 C +ATOM 723 N GLN A 94 14.038 -16.221 -7.762 1.00 92.67 N +ATOM 724 CA GLN A 94 13.580 -15.733 -6.466 1.00 92.76 C +ATOM 725 C GLN A 94 13.956 -14.262 -6.313 1.00 93.17 C +ATOM 726 O GLN A 94 15.082 -13.877 -6.609 1.00 92.58 O +ATOM 727 CB GLN A 94 14.201 -16.573 -5.350 1.00 92.21 C +ATOM 728 CG GLN A 94 13.799 -18.046 -5.439 1.00 90.35 C +ATOM 729 CD GLN A 94 14.397 -18.874 -4.310 1.00 89.35 C +ATOM 730 OE1 GLN A 94 15.595 -18.940 -4.124 1.00 83.70 O +ATOM 731 NE2 GLN A 94 13.572 -19.524 -3.533 1.00 81.11 N +ATOM 732 N LEU A 95 13.017 -13.455 -5.840 1.00 94.03 N +ATOM 733 CA LEU A 95 13.238 -12.056 -5.538 1.00 94.23 C +ATOM 734 C LEU A 95 13.800 -11.913 -4.133 1.00 94.36 C +ATOM 735 O LEU A 95 13.160 -12.337 -3.177 1.00 94.06 O +ATOM 736 CB LEU A 95 11.904 -11.326 -5.721 1.00 94.01 C +ATOM 737 CG LEU A 95 11.875 -9.869 -5.225 1.00 93.08 C +ATOM 738 CD1 LEU A 95 10.472 -9.298 -5.430 1.00 92.04 C +ATOM 739 CD2 LEU A 95 12.859 -8.985 -5.975 1.00 91.72 C +ATOM 740 N VAL A 96 14.950 -11.297 -3.997 1.00 95.62 N +ATOM 741 CA VAL A 96 15.572 -10.985 -2.713 1.00 95.68 C +ATOM 742 C VAL A 96 15.365 -9.518 -2.379 1.00 95.67 C +ATOM 743 O VAL A 96 15.721 -8.629 -3.151 1.00 95.33 O +ATOM 744 CB VAL A 96 17.064 -11.360 -2.711 1.00 95.58 C +ATOM 745 CG1 VAL A 96 17.305 -12.800 -3.168 1.00 95.06 C +ATOM 746 CG2 VAL A 96 17.635 -11.213 -1.298 1.00 94.97 C +ATOM 747 N MET A 97 14.787 -9.253 -1.234 1.00 95.79 N +ATOM 748 CA MET A 97 14.458 -7.930 -0.720 1.00 95.68 C +ATOM 749 C MET A 97 15.064 -7.739 0.666 1.00 95.79 C +ATOM 750 O MET A 97 15.438 -8.720 1.331 1.00 95.38 O +ATOM 751 CB MET A 97 12.938 -7.778 -0.627 1.00 95.01 C +ATOM 752 CG MET A 97 12.215 -8.073 -1.940 1.00 91.49 C +ATOM 753 SD MET A 97 10.402 -8.116 -1.804 1.00 89.20 S +ATOM 754 CE MET A 97 10.178 -9.641 -0.879 1.00 78.73 C +ATOM 755 N GLU A 98 15.132 -6.500 1.137 1.00 95.43 N +ATOM 756 CA GLU A 98 15.454 -6.250 2.529 1.00 95.17 C +ATOM 757 C GLU A 98 14.435 -6.938 3.454 1.00 95.27 C +ATOM 758 O GLU A 98 13.253 -7.024 3.140 1.00 94.63 O +ATOM 759 CB GLU A 98 15.569 -4.748 2.824 1.00 94.43 C +ATOM 760 CG GLU A 98 14.228 -4.008 2.821 1.00 91.56 C +ATOM 761 CD GLU A 98 14.354 -2.501 3.071 1.00 90.31 C +ATOM 762 OE1 GLU A 98 13.676 -1.722 2.401 1.00 77.54 O +ATOM 763 OE2 GLU A 98 15.172 -2.093 3.948 1.00 75.49 O +ATOM 764 N TYR A 99 14.910 -7.414 4.566 1.00 95.46 N +ATOM 765 CA TYR A 99 14.058 -7.911 5.624 1.00 95.55 C +ATOM 766 C TYR A 99 13.621 -6.766 6.521 1.00 95.54 C +ATOM 767 O TYR A 99 14.447 -6.084 7.097 1.00 95.17 O +ATOM 768 CB TYR A 99 14.816 -8.980 6.408 1.00 95.47 C +ATOM 769 CG TYR A 99 14.101 -9.429 7.653 1.00 95.59 C +ATOM 770 CD1 TYR A 99 12.854 -10.076 7.558 1.00 95.18 C +ATOM 771 CD2 TYR A 99 14.661 -9.192 8.920 1.00 94.95 C +ATOM 772 CE1 TYR A 99 12.189 -10.500 8.717 1.00 94.42 C +ATOM 773 CE2 TYR A 99 14.007 -9.619 10.082 1.00 94.50 C +ATOM 774 CZ TYR A 99 12.777 -10.280 9.979 1.00 94.56 C +ATOM 775 OH TYR A 99 12.147 -10.728 11.128 1.00 93.99 O +ATOM 776 N VAL A 100 12.329 -6.569 6.652 1.00 95.67 N +ATOM 777 CA VAL A 100 11.754 -5.525 7.504 1.00 95.57 C +ATOM 778 C VAL A 100 11.301 -6.151 8.821 1.00 95.62 C +ATOM 779 O VAL A 100 10.399 -6.982 8.827 1.00 95.33 O +ATOM 780 CB VAL A 100 10.629 -4.778 6.779 1.00 95.29 C +ATOM 781 CG1 VAL A 100 11.085 -4.264 5.408 1.00 94.54 C +ATOM 782 CG2 VAL A 100 10.206 -3.565 7.593 1.00 94.43 C +ATOM 783 N PRO A 101 11.921 -5.786 9.951 1.00 95.66 N +ATOM 784 CA PRO A 101 11.899 -6.630 11.136 1.00 95.43 C +ATOM 785 C PRO A 101 10.604 -6.637 11.935 1.00 95.52 C +ATOM 786 O PRO A 101 10.335 -7.619 12.633 1.00 94.90 O +ATOM 787 CB PRO A 101 13.079 -6.151 11.994 1.00 94.78 C +ATOM 788 CG PRO A 101 13.289 -4.706 11.571 1.00 93.38 C +ATOM 789 CD PRO A 101 12.935 -4.756 10.093 1.00 94.22 C +ATOM 790 N LEU A 102 9.780 -5.602 11.839 1.00 96.01 N +ATOM 791 CA LEU A 102 8.550 -5.505 12.638 1.00 95.98 C +ATOM 792 C LEU A 102 7.304 -6.054 11.920 1.00 96.04 C +ATOM 793 O LEU A 102 6.248 -6.153 12.539 1.00 95.53 O +ATOM 794 CB LEU A 102 8.361 -4.065 13.135 1.00 95.72 C +ATOM 795 CG LEU A 102 9.518 -3.502 13.990 1.00 95.12 C +ATOM 796 CD1 LEU A 102 9.169 -2.108 14.493 1.00 94.51 C +ATOM 797 CD2 LEU A 102 9.805 -4.367 15.208 1.00 94.16 C +ATOM 798 N GLY A 103 7.416 -6.465 10.671 1.00 95.48 N +ATOM 799 CA GLY A 103 6.321 -7.050 9.900 1.00 95.30 C +ATOM 800 C GLY A 103 5.298 -6.036 9.401 1.00 95.58 C +ATOM 801 O GLY A 103 5.558 -4.850 9.375 1.00 95.14 O +ATOM 802 N SER A 104 4.144 -6.501 8.979 1.00 95.38 N +ATOM 803 CA SER A 104 3.099 -5.643 8.427 1.00 95.32 C +ATOM 804 C SER A 104 2.397 -4.815 9.499 1.00 95.56 C +ATOM 805 O SER A 104 2.199 -5.275 10.619 1.00 95.22 O +ATOM 806 CB SER A 104 2.082 -6.462 7.634 1.00 94.72 C +ATOM 807 OG SER A 104 1.280 -7.256 8.486 1.00 92.46 O +ATOM 808 N LEU A 105 1.926 -3.641 9.122 1.00 95.87 N +ATOM 809 CA LEU A 105 1.099 -2.821 10.022 1.00 95.82 C +ATOM 810 C LEU A 105 -0.156 -3.561 10.471 1.00 95.87 C +ATOM 811 O LEU A 105 -0.539 -3.440 11.634 1.00 95.62 O +ATOM 812 CB LEU A 105 0.709 -1.512 9.326 1.00 95.64 C +ATOM 813 CG LEU A 105 1.854 -0.497 9.179 1.00 95.02 C +ATOM 814 CD1 LEU A 105 1.337 0.750 8.457 1.00 94.52 C +ATOM 815 CD2 LEU A 105 2.410 -0.045 10.537 1.00 94.11 C +ATOM 816 N ARG A 106 -0.741 -4.385 9.630 1.00 95.97 N +ATOM 817 CA ARG A 106 -1.909 -5.204 9.971 1.00 95.80 C +ATOM 818 C ARG A 106 -1.657 -6.138 11.148 1.00 95.89 C +ATOM 819 O ARG A 106 -2.545 -6.330 11.962 1.00 95.47 O +ATOM 820 CB ARG A 106 -2.347 -6.018 8.741 1.00 95.22 C +ATOM 821 CG ARG A 106 -3.676 -6.762 9.005 1.00 91.75 C +ATOM 822 CD ARG A 106 -4.019 -7.726 7.879 1.00 89.07 C +ATOM 823 NE ARG A 106 -3.062 -8.839 7.826 1.00 83.03 N +ATOM 824 CZ ARG A 106 -3.007 -9.782 6.897 1.00 81.76 C +ATOM 825 NH1 ARG A 106 -3.874 -9.843 5.934 1.00 77.66 N +ATOM 826 NH2 ARG A 106 -2.061 -10.673 6.930 1.00 78.34 N1+ +ATOM 827 N ASP A 107 -0.465 -6.705 11.211 1.00 95.20 N +ATOM 828 CA ASP A 107 -0.113 -7.655 12.265 1.00 95.08 C +ATOM 829 C ASP A 107 0.503 -6.963 13.487 1.00 95.25 C +ATOM 830 O ASP A 107 0.440 -7.491 14.600 1.00 94.78 O +ATOM 831 CB ASP A 107 0.841 -8.712 11.696 1.00 94.49 C +ATOM 832 CG ASP A 107 0.224 -9.542 10.567 1.00 92.36 C +ATOM 833 OD1 ASP A 107 -1.012 -9.768 10.562 1.00 87.73 O +ATOM 834 OD2 ASP A 107 0.989 -9.930 9.657 1.00 84.67 O +ATOM 835 N TYR A 108 1.075 -5.797 13.285 1.00 95.98 N +ATOM 836 CA TYR A 108 1.726 -5.021 14.331 1.00 95.94 C +ATOM 837 C TYR A 108 0.742 -4.211 15.177 1.00 95.98 C +ATOM 838 O TYR A 108 0.773 -4.288 16.404 1.00 95.67 O +ATOM 839 CB TYR A 108 2.782 -4.114 13.695 1.00 95.78 C +ATOM 840 CG TYR A 108 3.639 -3.378 14.697 1.00 95.53 C +ATOM 841 CD1 TYR A 108 4.830 -3.970 15.171 1.00 95.04 C +ATOM 842 CD2 TYR A 108 3.255 -2.115 15.186 1.00 94.83 C +ATOM 843 CE1 TYR A 108 5.623 -3.306 16.117 1.00 94.20 C +ATOM 844 CE2 TYR A 108 4.040 -1.451 16.139 1.00 94.27 C +ATOM 845 CZ TYR A 108 5.216 -2.049 16.597 1.00 94.15 C +ATOM 846 OH TYR A 108 5.996 -1.406 17.531 1.00 93.62 O +ATOM 847 N LEU A 109 -0.134 -3.445 14.544 1.00 95.39 N +ATOM 848 CA LEU A 109 -0.992 -2.473 15.217 1.00 95.33 C +ATOM 849 C LEU A 109 -1.944 -3.081 16.256 1.00 95.26 C +ATOM 850 O LEU A 109 -2.071 -2.496 17.329 1.00 94.93 O +ATOM 851 CB LEU A 109 -1.767 -1.638 14.186 1.00 95.24 C +ATOM 852 CG LEU A 109 -0.904 -0.683 13.353 1.00 94.87 C +ATOM 853 CD1 LEU A 109 -1.796 0.047 12.359 1.00 94.46 C +ATOM 854 CD2 LEU A 109 -0.208 0.356 14.220 1.00 94.13 C +ATOM 855 N PRO A 110 -2.545 -4.264 16.057 1.00 94.82 N +ATOM 856 CA PRO A 110 -3.390 -4.889 17.075 1.00 94.64 C +ATOM 857 C PRO A 110 -2.649 -5.288 18.358 1.00 94.64 C +ATOM 858 O PRO A 110 -3.275 -5.557 19.376 1.00 94.02 O +ATOM 859 CB PRO A 110 -3.994 -6.122 16.403 1.00 94.19 C +ATOM 860 CG PRO A 110 -3.941 -5.804 14.921 1.00 93.47 C +ATOM 861 CD PRO A 110 -2.641 -5.017 14.814 1.00 94.18 C +ATOM 862 N ARG A 111 -1.340 -5.344 18.318 1.00 94.13 N +ATOM 863 CA ARG A 111 -0.485 -5.804 19.420 1.00 93.73 C +ATOM 864 C ARG A 111 0.282 -4.683 20.115 1.00 93.81 C +ATOM 865 O ARG A 111 0.943 -4.944 21.118 1.00 92.33 O +ATOM 866 CB ARG A 111 0.494 -6.858 18.890 1.00 92.26 C +ATOM 867 CG ARG A 111 -0.206 -8.050 18.230 1.00 83.23 C +ATOM 868 CD ARG A 111 0.834 -9.026 17.692 1.00 79.30 C +ATOM 869 NE ARG A 111 0.194 -10.081 16.862 1.00 72.79 N +ATOM 870 CZ ARG A 111 0.821 -11.026 16.204 1.00 67.56 C +ATOM 871 NH1 ARG A 111 2.113 -11.167 16.268 1.00 59.16 N +ATOM 872 NH2 ARG A 111 0.150 -11.838 15.440 1.00 56.68 N1+ +ATOM 873 N HIS A 112 0.217 -3.469 19.590 1.00 93.66 N +ATOM 874 CA HIS A 112 0.997 -2.335 20.076 1.00 93.69 C +ATOM 875 C HIS A 112 0.128 -1.093 20.191 1.00 93.77 C +ATOM 876 O HIS A 112 -0.563 -0.713 19.233 1.00 92.78 O +ATOM 877 CB HIS A 112 2.174 -2.097 19.133 1.00 93.25 C +ATOM 878 CG HIS A 112 3.126 -3.255 19.048 1.00 92.53 C +ATOM 879 ND1 HIS A 112 2.973 -4.372 18.220 1.00 88.55 N1+ +ATOM 880 CD2 HIS A 112 4.283 -3.445 19.757 1.00 87.69 C +ATOM 881 CE1 HIS A 112 4.005 -5.190 18.436 1.00 87.63 C +ATOM 882 NE2 HIS A 112 4.817 -4.674 19.371 1.00 88.68 N +ATOM 883 N SER A 113 0.182 -0.425 21.322 1.00 92.42 N +ATOM 884 CA SER A 113 -0.573 0.804 21.553 1.00 92.29 C +ATOM 885 C SER A 113 0.112 1.994 20.889 1.00 92.88 C +ATOM 886 O SER A 113 0.873 2.734 21.516 1.00 90.97 O +ATOM 887 CB SER A 113 -0.746 1.041 23.065 1.00 89.61 C +ATOM 888 OG SER A 113 -1.463 -0.020 23.643 1.00 77.20 O +ATOM 889 N ILE A 114 -0.132 2.178 19.597 1.00 93.79 N +ATOM 890 CA ILE A 114 0.401 3.300 18.831 1.00 93.88 C +ATOM 891 C ILE A 114 -0.542 4.496 18.942 1.00 94.20 C +ATOM 892 O ILE A 114 -1.743 4.378 18.714 1.00 93.10 O +ATOM 893 CB ILE A 114 0.665 2.874 17.380 1.00 92.46 C +ATOM 894 CG1 ILE A 114 1.572 1.628 17.285 1.00 85.05 C +ATOM 895 CG2 ILE A 114 1.273 4.020 16.571 1.00 81.06 C +ATOM 896 CD1 ILE A 114 2.924 1.757 17.964 1.00 74.10 C +ATOM 897 N GLY A 115 -0.009 5.643 19.271 1.00 95.10 N +ATOM 898 CA GLY A 115 -0.766 6.882 19.369 1.00 95.02 C +ATOM 899 C GLY A 115 -1.126 7.479 18.021 1.00 95.43 C +ATOM 900 O GLY A 115 -0.489 7.195 17.011 1.00 95.02 O +ATOM 901 N LEU A 116 -2.093 8.367 18.023 1.00 95.34 N +ATOM 902 CA LEU A 116 -2.594 9.020 16.806 1.00 95.45 C +ATOM 903 C LEU A 116 -1.499 9.724 16.005 1.00 95.68 C +ATOM 904 O LEU A 116 -1.438 9.547 14.791 1.00 95.61 O +ATOM 905 CB LEU A 116 -3.695 10.007 17.229 1.00 95.24 C +ATOM 906 CG LEU A 116 -4.284 10.831 16.064 1.00 94.61 C +ATOM 907 CD1 LEU A 116 -5.324 11.778 16.623 1.00 94.00 C +ATOM 908 CD2 LEU A 116 -4.951 9.961 15.006 1.00 93.47 C +ATOM 909 N ALA A 117 -0.619 10.467 16.669 1.00 95.77 N +ATOM 910 CA ALA A 117 0.472 11.144 15.980 1.00 95.79 C +ATOM 911 C ALA A 117 1.357 10.172 15.197 1.00 96.01 C +ATOM 912 O ALA A 117 1.722 10.452 14.064 1.00 95.70 O +ATOM 913 CB ALA A 117 1.292 11.923 17.026 1.00 95.25 C +ATOM 914 N GLN A 118 1.639 9.018 15.746 1.00 96.26 N +ATOM 915 CA GLN A 118 2.452 7.993 15.092 1.00 96.14 C +ATOM 916 C GLN A 118 1.732 7.361 13.898 1.00 96.31 C +ATOM 917 O GLN A 118 2.358 7.134 12.873 1.00 96.06 O +ATOM 918 CB GLN A 118 2.830 6.939 16.133 1.00 95.61 C +ATOM 919 CG GLN A 118 3.981 6.045 15.683 1.00 92.62 C +ATOM 920 CD GLN A 118 5.314 6.784 15.547 1.00 91.12 C +ATOM 921 OE1 GLN A 118 5.531 7.830 16.123 1.00 81.43 O +ATOM 922 NE2 GLN A 118 6.229 6.274 14.789 1.00 78.69 N +ATOM 923 N LEU A 119 0.447 7.125 14.003 1.00 96.26 N +ATOM 924 CA LEU A 119 -0.362 6.627 12.884 1.00 96.36 C +ATOM 925 C LEU A 119 -0.411 7.633 11.738 1.00 96.46 C +ATOM 926 O LEU A 119 -0.311 7.251 10.576 1.00 96.27 O +ATOM 927 CB LEU A 119 -1.787 6.322 13.366 1.00 96.29 C +ATOM 928 CG LEU A 119 -1.903 5.218 14.424 1.00 95.91 C +ATOM 929 CD1 LEU A 119 -3.351 5.120 14.886 1.00 95.47 C +ATOM 930 CD2 LEU A 119 -1.478 3.857 13.874 1.00 95.34 C +ATOM 931 N LEU A 120 -0.513 8.909 12.045 1.00 96.26 N +ATOM 932 CA LEU A 120 -0.483 9.980 11.053 1.00 96.32 C +ATOM 933 C LEU A 120 0.897 10.128 10.402 1.00 96.34 C +ATOM 934 O LEU A 120 0.953 10.393 9.198 1.00 96.12 O +ATOM 935 CB LEU A 120 -0.914 11.298 11.711 1.00 96.25 C +ATOM 936 CG LEU A 120 -2.383 11.312 12.167 1.00 95.94 C +ATOM 937 CD1 LEU A 120 -2.625 12.555 12.987 1.00 95.61 C +ATOM 938 CD2 LEU A 120 -3.362 11.326 10.988 1.00 95.38 C +ATOM 939 N LEU A 121 1.964 9.885 11.145 1.00 96.41 N +ATOM 940 CA LEU A 121 3.309 9.807 10.563 1.00 96.40 C +ATOM 941 C LEU A 121 3.399 8.659 9.567 1.00 96.46 C +ATOM 942 O LEU A 121 3.885 8.854 8.452 1.00 96.25 O +ATOM 943 CB LEU A 121 4.346 9.650 11.685 1.00 96.25 C +ATOM 944 CG LEU A 121 5.793 9.484 11.192 1.00 95.74 C +ATOM 945 CD1 LEU A 121 6.717 9.201 12.377 1.00 95.09 C +ATOM 946 CD2 LEU A 121 6.293 10.733 10.477 1.00 94.45 C +ATOM 947 N PHE A 122 2.891 7.488 9.889 1.00 96.68 N +ATOM 948 CA PHE A 122 2.845 6.362 8.951 1.00 96.72 C +ATOM 949 C PHE A 122 2.014 6.675 7.715 1.00 96.78 C +ATOM 950 O PHE A 122 2.449 6.400 6.606 1.00 96.63 O +ATOM 951 CB PHE A 122 2.309 5.111 9.652 1.00 96.65 C +ATOM 952 CG PHE A 122 3.102 4.606 10.846 1.00 96.62 C +ATOM 953 CD1 PHE A 122 4.466 4.879 11.002 1.00 96.21 C +ATOM 954 CD2 PHE A 122 2.457 3.788 11.801 1.00 96.04 C +ATOM 955 CE1 PHE A 122 5.185 4.351 12.087 1.00 95.55 C +ATOM 956 CE2 PHE A 122 3.160 3.257 12.891 1.00 95.61 C +ATOM 957 CZ PHE A 122 4.532 3.537 13.035 1.00 95.57 C +ATOM 958 N ALA A 123 0.867 7.305 7.901 1.00 96.66 N +ATOM 959 CA ALA A 123 0.024 7.721 6.792 1.00 96.65 C +ATOM 960 C ALA A 123 0.745 8.701 5.854 1.00 96.72 C +ATOM 961 O ALA A 123 0.701 8.530 4.633 1.00 96.55 O +ATOM 962 CB ALA A 123 -1.255 8.320 7.364 1.00 96.51 C +ATOM 963 N GLN A 124 1.453 9.676 6.407 1.00 96.69 N +ATOM 964 CA GLN A 124 2.286 10.592 5.629 1.00 96.65 C +ATOM 965 C GLN A 124 3.355 9.849 4.831 1.00 96.71 C +ATOM 966 O GLN A 124 3.484 10.066 3.625 1.00 96.37 O +ATOM 967 CB GLN A 124 2.924 11.607 6.596 1.00 96.28 C +ATOM 968 CG GLN A 124 3.803 12.634 5.873 1.00 94.83 C +ATOM 969 CD GLN A 124 4.732 13.402 6.809 1.00 93.68 C +ATOM 970 OE1 GLN A 124 4.441 13.665 7.958 1.00 87.05 O +ATOM 971 NE2 GLN A 124 5.888 13.750 6.327 1.00 86.31 N +ATOM 972 N GLN A 125 4.077 8.951 5.456 1.00 96.70 N +ATOM 973 CA GLN A 125 5.132 8.173 4.805 1.00 96.70 C +ATOM 974 C GLN A 125 4.605 7.258 3.698 1.00 96.71 C +ATOM 975 O GLN A 125 5.231 7.109 2.655 1.00 96.48 O +ATOM 976 CB GLN A 125 5.852 7.333 5.864 1.00 96.64 C +ATOM 977 CG GLN A 125 6.698 8.193 6.824 1.00 96.41 C +ATOM 978 CD GLN A 125 7.411 7.354 7.899 1.00 96.20 C +ATOM 979 OE1 GLN A 125 7.337 6.146 7.924 1.00 94.47 O +ATOM 980 NE2 GLN A 125 8.120 7.982 8.782 1.00 93.71 N +ATOM 981 N ILE A 126 3.443 6.674 3.901 1.00 96.66 N +ATOM 982 CA ILE A 126 2.764 5.916 2.838 1.00 96.69 C +ATOM 983 C ILE A 126 2.493 6.826 1.644 1.00 96.67 C +ATOM 984 O ILE A 126 2.806 6.457 0.513 1.00 96.56 O +ATOM 985 CB ILE A 126 1.472 5.254 3.363 1.00 96.78 C +ATOM 986 CG1 ILE A 126 1.787 4.160 4.399 1.00 96.76 C +ATOM 987 CG2 ILE A 126 0.673 4.627 2.201 1.00 96.77 C +ATOM 988 CD1 ILE A 126 0.577 3.746 5.253 1.00 96.48 C +ATOM 989 N CYS A 127 1.999 8.038 1.882 1.00 96.76 N +ATOM 990 CA CYS A 127 1.764 8.996 0.809 1.00 96.70 C +ATOM 991 C CYS A 127 3.052 9.419 0.095 1.00 96.65 C +ATOM 992 O CYS A 127 3.037 9.552 -1.125 1.00 96.39 O +ATOM 993 CB CYS A 127 1.039 10.222 1.356 1.00 96.59 C +ATOM 994 SG CYS A 127 -0.663 9.789 1.774 1.00 96.37 S +ATOM 995 N GLU A 128 4.137 9.576 0.804 1.00 96.89 N +ATOM 996 CA GLU A 128 5.446 9.898 0.215 1.00 96.77 C +ATOM 997 C GLU A 128 5.935 8.764 -0.703 1.00 96.90 C +ATOM 998 O GLU A 128 6.293 9.008 -1.852 1.00 96.56 O +ATOM 999 CB GLU A 128 6.455 10.192 1.337 1.00 96.44 C +ATOM 1000 CG GLU A 128 6.184 11.553 2.011 1.00 94.76 C +ATOM 1001 CD GLU A 128 6.983 11.844 3.298 1.00 93.78 C +ATOM 1002 OE1 GLU A 128 6.783 12.951 3.845 1.00 83.92 O +ATOM 1003 OE2 GLU A 128 7.750 10.984 3.762 1.00 82.01 O +ATOM 1004 N GLY A 129 5.860 7.536 -0.241 1.00 96.85 N +ATOM 1005 CA GLY A 129 6.206 6.381 -1.060 1.00 96.81 C +ATOM 1006 C GLY A 129 5.306 6.209 -2.281 1.00 96.93 C +ATOM 1007 O GLY A 129 5.782 5.911 -3.379 1.00 96.75 O +ATOM 1008 N MET A 130 4.023 6.454 -2.121 1.00 96.56 N +ATOM 1009 CA MET A 130 3.047 6.354 -3.218 1.00 96.63 C +ATOM 1010 C MET A 130 3.173 7.497 -4.232 1.00 96.60 C +ATOM 1011 O MET A 130 3.035 7.245 -5.428 1.00 96.42 O +ATOM 1012 CB MET A 130 1.641 6.313 -2.641 1.00 96.60 C +ATOM 1013 CG MET A 130 1.338 4.973 -1.954 1.00 96.44 C +ATOM 1014 SD MET A 130 1.488 3.465 -2.953 1.00 96.23 S +ATOM 1015 CE MET A 130 0.313 3.807 -4.265 1.00 95.34 C +ATOM 1016 N ALA A 131 3.470 8.707 -3.776 1.00 96.69 N +ATOM 1017 CA ALA A 131 3.753 9.834 -4.668 1.00 96.60 C +ATOM 1018 C ALA A 131 4.974 9.548 -5.541 1.00 96.58 C +ATOM 1019 O ALA A 131 4.924 9.746 -6.752 1.00 96.36 O +ATOM 1020 CB ALA A 131 3.953 11.103 -3.830 1.00 96.49 C +ATOM 1021 N TYR A 132 6.026 9.002 -4.949 1.00 96.60 N +ATOM 1022 CA TYR A 132 7.194 8.545 -5.704 1.00 96.48 C +ATOM 1023 C TYR A 132 6.822 7.454 -6.718 1.00 96.53 C +ATOM 1024 O TYR A 132 7.184 7.571 -7.889 1.00 96.29 O +ATOM 1025 CB TYR A 132 8.261 8.045 -4.733 1.00 96.35 C +ATOM 1026 CG TYR A 132 9.385 7.307 -5.429 1.00 96.17 C +ATOM 1027 CD1 TYR A 132 10.431 8.022 -6.048 1.00 95.74 C +ATOM 1028 CD2 TYR A 132 9.362 5.905 -5.498 1.00 95.56 C +ATOM 1029 CE1 TYR A 132 11.455 7.324 -6.715 1.00 94.98 C +ATOM 1030 CE2 TYR A 132 10.384 5.206 -6.165 1.00 95.16 C +ATOM 1031 CZ TYR A 132 11.431 5.920 -6.772 1.00 95.09 C +ATOM 1032 OH TYR A 132 12.429 5.239 -7.420 1.00 94.23 O +ATOM 1033 N LEU A 133 6.052 6.455 -6.315 1.00 96.41 N +ATOM 1034 CA LEU A 133 5.632 5.372 -7.205 1.00 96.37 C +ATOM 1035 C LEU A 133 4.862 5.892 -8.418 1.00 96.43 C +ATOM 1036 O LEU A 133 5.139 5.494 -9.547 1.00 96.07 O +ATOM 1037 CB LEU A 133 4.785 4.380 -6.389 1.00 96.07 C +ATOM 1038 CG LEU A 133 4.390 3.122 -7.176 1.00 94.94 C +ATOM 1039 CD1 LEU A 133 3.350 2.320 -6.407 1.00 94.16 C +ATOM 1040 CD2 LEU A 133 5.597 2.216 -7.415 1.00 93.34 C +ATOM 1041 N HIS A 134 3.932 6.800 -8.196 1.00 96.22 N +ATOM 1042 CA HIS A 134 3.178 7.445 -9.263 1.00 96.14 C +ATOM 1043 C HIS A 134 4.056 8.307 -10.158 1.00 96.01 C +ATOM 1044 O HIS A 134 3.886 8.271 -11.374 1.00 95.73 O +ATOM 1045 CB HIS A 134 2.045 8.269 -8.643 1.00 96.07 C +ATOM 1046 CG HIS A 134 0.907 7.452 -8.110 1.00 96.13 C +ATOM 1047 ND1 HIS A 134 -0.295 7.980 -7.658 1.00 95.35 N1+ +ATOM 1048 CD2 HIS A 134 0.810 6.088 -8.024 1.00 95.10 C +ATOM 1049 CE1 HIS A 134 -1.105 6.983 -7.329 1.00 94.76 C +ATOM 1050 NE2 HIS A 134 -0.464 5.805 -7.528 1.00 94.97 N +ATOM 1051 N ALA A 135 5.041 9.015 -9.600 1.00 96.30 N +ATOM 1052 CA ALA A 135 6.016 9.765 -10.391 1.00 96.11 C +ATOM 1053 C ALA A 135 6.888 8.858 -11.288 1.00 96.18 C +ATOM 1054 O ALA A 135 7.353 9.294 -12.333 1.00 95.75 O +ATOM 1055 CB ALA A 135 6.871 10.601 -9.441 1.00 95.70 C +ATOM 1056 N GLN A 136 7.051 7.604 -10.915 1.00 96.21 N +ATOM 1057 CA GLN A 136 7.685 6.569 -11.746 1.00 96.15 C +ATOM 1058 C GLN A 136 6.712 5.889 -12.724 1.00 96.30 C +ATOM 1059 O GLN A 136 7.064 4.898 -13.353 1.00 95.83 O +ATOM 1060 CB GLN A 136 8.376 5.526 -10.837 1.00 95.69 C +ATOM 1061 CG GLN A 136 9.475 6.115 -9.938 1.00 93.99 C +ATOM 1062 CD GLN A 136 10.527 6.917 -10.686 1.00 92.22 C +ATOM 1063 OE1 GLN A 136 11.208 6.414 -11.558 1.00 85.94 O +ATOM 1064 NE2 GLN A 136 10.687 8.180 -10.368 1.00 84.42 N +ATOM 1065 N HIS A 137 5.509 6.400 -12.849 1.00 96.03 N +ATOM 1066 CA HIS A 137 4.443 5.878 -13.729 1.00 95.97 C +ATOM 1067 C HIS A 137 3.944 4.457 -13.395 1.00 96.25 C +ATOM 1068 O HIS A 137 3.509 3.721 -14.276 1.00 95.83 O +ATOM 1069 CB HIS A 137 4.826 6.042 -15.192 1.00 95.36 C +ATOM 1070 CG HIS A 137 5.196 7.458 -15.554 1.00 94.16 C +ATOM 1071 ND1 HIS A 137 4.351 8.549 -15.542 1.00 90.91 N1+ +ATOM 1072 CD2 HIS A 137 6.430 7.910 -15.936 1.00 87.74 C +ATOM 1073 CE1 HIS A 137 5.047 9.622 -15.893 1.00 86.88 C +ATOM 1074 NE2 HIS A 137 6.326 9.276 -16.142 1.00 89.30 N +ATOM 1075 N TYR A 138 3.950 4.105 -12.144 1.00 96.06 N +ATOM 1076 CA TYR A 138 3.361 2.850 -11.684 1.00 96.12 C +ATOM 1077 C TYR A 138 2.102 3.086 -10.859 1.00 96.22 C +ATOM 1078 O TYR A 138 1.996 4.051 -10.115 1.00 95.94 O +ATOM 1079 CB TYR A 138 4.383 2.044 -10.881 1.00 96.01 C +ATOM 1080 CG TYR A 138 5.613 1.642 -11.690 1.00 95.82 C +ATOM 1081 CD1 TYR A 138 5.511 0.657 -12.689 1.00 95.31 C +ATOM 1082 CD2 TYR A 138 6.850 2.257 -11.435 1.00 95.15 C +ATOM 1083 CE1 TYR A 138 6.647 0.306 -13.449 1.00 94.60 C +ATOM 1084 CE2 TYR A 138 7.985 1.911 -12.185 1.00 94.65 C +ATOM 1085 CZ TYR A 138 7.881 0.935 -13.194 1.00 94.62 C +ATOM 1086 OH TYR A 138 8.980 0.598 -13.939 1.00 94.09 O +ATOM 1087 N ILE A 139 1.182 2.150 -10.930 1.00 95.98 N +ATOM 1088 CA ILE A 139 0.035 2.019 -10.030 1.00 95.95 C +ATOM 1089 C ILE A 139 0.252 0.771 -9.179 1.00 96.08 C +ATOM 1090 O ILE A 139 0.567 -0.292 -9.712 1.00 95.70 O +ATOM 1091 CB ILE A 139 -1.297 1.933 -10.824 1.00 95.36 C +ATOM 1092 CG1 ILE A 139 -1.482 3.160 -11.741 1.00 92.63 C +ATOM 1093 CG2 ILE A 139 -2.472 1.828 -9.845 1.00 91.62 C +ATOM 1094 CD1 ILE A 139 -2.715 3.048 -12.649 1.00 86.41 C +ATOM 1095 N HIS A 140 0.064 0.878 -7.871 1.00 96.09 N +ATOM 1096 CA HIS A 140 0.296 -0.233 -6.945 1.00 96.07 C +ATOM 1097 C HIS A 140 -0.804 -1.295 -7.019 1.00 96.04 C +ATOM 1098 O HIS A 140 -0.512 -2.486 -7.031 1.00 95.61 O +ATOM 1099 CB HIS A 140 0.452 0.328 -5.529 1.00 95.99 C +ATOM 1100 CG HIS A 140 0.881 -0.714 -4.539 1.00 95.95 C +ATOM 1101 ND1 HIS A 140 0.067 -1.617 -3.870 1.00 94.92 N1+ +ATOM 1102 CD2 HIS A 140 2.165 -0.973 -4.140 1.00 94.58 C +ATOM 1103 CE1 HIS A 140 0.846 -2.396 -3.099 1.00 94.22 C +ATOM 1104 NE2 HIS A 140 2.124 -2.025 -3.245 1.00 94.57 N +ATOM 1105 N ARG A 141 -2.050 -0.868 -7.044 1.00 96.02 N +ATOM 1106 CA ARG A 141 -3.273 -1.695 -7.129 1.00 95.89 C +ATOM 1107 C ARG A 141 -3.546 -2.617 -5.929 1.00 95.93 C +ATOM 1108 O ARG A 141 -4.527 -3.361 -5.954 1.00 95.40 O +ATOM 1109 CB ARG A 141 -3.305 -2.490 -8.448 1.00 95.33 C +ATOM 1110 CG ARG A 141 -3.270 -1.616 -9.689 1.00 93.86 C +ATOM 1111 CD ARG A 141 -3.132 -2.480 -10.959 1.00 92.51 C +ATOM 1112 NE ARG A 141 -4.187 -3.486 -11.052 1.00 89.96 N +ATOM 1113 CZ ARG A 141 -4.060 -4.784 -11.272 1.00 88.38 C +ATOM 1114 NH1 ARG A 141 -2.920 -5.349 -11.511 1.00 85.71 N +ATOM 1115 NH2 ARG A 141 -5.093 -5.541 -11.260 1.00 86.34 N1+ +ATOM 1116 N ASN A 142 -2.732 -2.592 -4.908 1.00 95.84 N +ATOM 1117 CA ASN A 142 -2.905 -3.433 -3.724 1.00 95.64 C +ATOM 1118 C ASN A 142 -2.454 -2.735 -2.425 1.00 95.81 C +ATOM 1119 O ASN A 142 -1.980 -3.388 -1.485 1.00 95.41 O +ATOM 1120 CB ASN A 142 -2.186 -4.763 -3.969 1.00 95.05 C +ATOM 1121 CG ASN A 142 -2.571 -5.867 -2.998 1.00 92.80 C +ATOM 1122 OD1 ASN A 142 -3.584 -5.840 -2.321 1.00 86.92 O +ATOM 1123 ND2 ASN A 142 -1.772 -6.905 -2.954 1.00 82.88 N +ATOM 1124 N LEU A 143 -2.583 -1.428 -2.365 1.00 96.21 N +ATOM 1125 CA LEU A 143 -2.255 -0.681 -1.160 1.00 96.20 C +ATOM 1126 C LEU A 143 -3.247 -1.029 -0.043 1.00 96.16 C +ATOM 1127 O LEU A 143 -4.453 -0.867 -0.193 1.00 95.81 O +ATOM 1128 CB LEU A 143 -2.228 0.821 -1.476 1.00 96.21 C +ATOM 1129 CG LEU A 143 -1.809 1.690 -0.274 1.00 95.98 C +ATOM 1130 CD1 LEU A 143 -1.869 3.164 -0.673 1.00 95.70 C +ATOM 1131 CD2 LEU A 143 -0.389 1.375 0.209 1.00 95.56 C +ATOM 1132 N ALA A 144 -2.732 -1.534 1.055 1.00 95.70 N +ATOM 1133 CA ALA A 144 -3.458 -1.951 2.239 1.00 95.58 C +ATOM 1134 C ALA A 144 -2.478 -2.090 3.409 1.00 95.68 C +ATOM 1135 O ALA A 144 -1.291 -2.328 3.183 1.00 95.38 O +ATOM 1136 CB ALA A 144 -4.129 -3.296 1.952 1.00 95.30 C +ATOM 1137 N ALA A 145 -2.950 -2.059 4.650 1.00 95.84 N +ATOM 1138 CA ALA A 145 -2.093 -2.167 5.837 1.00 95.83 C +ATOM 1139 C ALA A 145 -1.271 -3.468 5.885 1.00 95.92 C +ATOM 1140 O ALA A 145 -0.151 -3.474 6.392 1.00 95.64 O +ATOM 1141 CB ALA A 145 -2.969 -2.034 7.075 1.00 95.63 C +ATOM 1142 N ARG A 146 -1.782 -4.553 5.315 1.00 95.46 N +ATOM 1143 CA ARG A 146 -1.038 -5.828 5.170 1.00 95.16 C +ATOM 1144 C ARG A 146 0.198 -5.742 4.285 1.00 95.34 C +ATOM 1145 O ARG A 146 1.071 -6.591 4.406 1.00 94.72 O +ATOM 1146 CB ARG A 146 -1.982 -6.923 4.654 1.00 94.31 C +ATOM 1147 CG ARG A 146 -2.431 -6.675 3.199 1.00 89.82 C +ATOM 1148 CD ARG A 146 -3.330 -7.793 2.662 1.00 87.45 C +ATOM 1149 NE ARG A 146 -3.748 -7.485 1.293 1.00 82.12 N +ATOM 1150 CZ ARG A 146 -4.818 -6.783 0.926 1.00 78.94 C +ATOM 1151 NH1 ARG A 146 -5.697 -6.373 1.797 1.00 71.32 N +ATOM 1152 NH2 ARG A 146 -4.990 -6.476 -0.309 1.00 71.09 N1+ +ATOM 1153 N ASN A 147 0.242 -4.754 3.398 1.00 96.00 N +ATOM 1154 CA ASN A 147 1.322 -4.537 2.437 1.00 95.92 C +ATOM 1155 C ASN A 147 2.209 -3.345 2.810 1.00 96.03 C +ATOM 1156 O ASN A 147 3.085 -2.971 2.033 1.00 95.71 O +ATOM 1157 CB ASN A 147 0.711 -4.386 1.027 1.00 95.68 C +ATOM 1158 CG ASN A 147 0.015 -5.644 0.532 1.00 95.10 C +ATOM 1159 OD1 ASN A 147 0.205 -6.733 1.039 1.00 93.59 O +ATOM 1160 ND2 ASN A 147 -0.804 -5.529 -0.485 1.00 92.93 N +ATOM 1161 N VAL A 148 1.996 -2.759 3.961 1.00 96.41 N +ATOM 1162 CA VAL A 148 2.873 -1.755 4.545 1.00 96.40 C +ATOM 1163 C VAL A 148 3.633 -2.396 5.698 1.00 96.40 C +ATOM 1164 O VAL A 148 3.038 -2.877 6.658 1.00 96.17 O +ATOM 1165 CB VAL A 148 2.093 -0.511 4.985 1.00 96.37 C +ATOM 1166 CG1 VAL A 148 1.302 0.104 3.823 1.00 96.20 C +ATOM 1167 CG2 VAL A 148 3.067 0.554 5.508 1.00 96.27 C +ATOM 1168 N LEU A 149 4.938 -2.418 5.587 1.00 96.68 N +ATOM 1169 CA LEU A 149 5.836 -3.038 6.539 1.00 96.59 C +ATOM 1170 C LEU A 149 6.470 -1.973 7.436 1.00 96.68 C +ATOM 1171 O LEU A 149 6.752 -0.869 7.002 1.00 96.31 O +ATOM 1172 CB LEU A 149 6.912 -3.840 5.790 1.00 96.21 C +ATOM 1173 CG LEU A 149 6.375 -4.895 4.815 1.00 95.05 C +ATOM 1174 CD1 LEU A 149 7.552 -5.542 4.080 1.00 93.95 C +ATOM 1175 CD2 LEU A 149 5.603 -6.005 5.524 1.00 92.56 C +ATOM 1176 N LEU A 150 6.707 -2.319 8.679 1.00 96.17 N +ATOM 1177 CA LEU A 150 7.291 -1.448 9.680 1.00 96.02 C +ATOM 1178 C LEU A 150 8.747 -1.862 9.949 1.00 96.06 C +ATOM 1179 O LEU A 150 9.011 -2.958 10.447 1.00 95.55 O +ATOM 1180 CB LEU A 150 6.395 -1.515 10.926 1.00 95.43 C +ATOM 1181 CG LEU A 150 6.794 -0.537 12.043 1.00 92.69 C +ATOM 1182 CD1 LEU A 150 5.902 -0.780 13.259 1.00 90.61 C +ATOM 1183 CD2 LEU A 150 6.618 0.924 11.643 1.00 88.49 C +ATOM 1184 N ASP A 151 9.663 -0.964 9.633 1.00 95.09 N +ATOM 1185 CA ASP A 151 11.102 -1.197 9.833 1.00 94.87 C +ATOM 1186 C ASP A 151 11.520 -0.914 11.280 1.00 94.92 C +ATOM 1187 O ASP A 151 12.205 -1.709 11.918 1.00 94.12 O +ATOM 1188 CB ASP A 151 11.861 -0.310 8.836 1.00 93.89 C +ATOM 1189 CG ASP A 151 13.357 -0.631 8.773 1.00 90.81 C +ATOM 1190 OD1 ASP A 151 13.707 -1.832 8.862 1.00 86.14 O +ATOM 1191 OD2 ASP A 151 14.136 0.323 8.566 1.00 82.74 O +ATOM 1192 N ASN A 152 11.040 0.201 11.805 1.00 94.93 N +ATOM 1193 CA ASN A 152 11.179 0.599 13.197 1.00 94.76 C +ATOM 1194 C ASN A 152 9.973 1.448 13.615 1.00 94.84 C +ATOM 1195 O ASN A 152 9.049 1.662 12.816 1.00 94.33 O +ATOM 1196 CB ASN A 152 12.522 1.338 13.377 1.00 94.34 C +ATOM 1197 CG ASN A 152 12.632 2.599 12.553 1.00 93.62 C +ATOM 1198 OD1 ASN A 152 11.906 3.563 12.769 1.00 91.47 O +ATOM 1199 ND2 ASN A 152 13.526 2.638 11.590 1.00 90.41 N +ATOM 1200 N ASP A 153 9.959 1.952 14.828 1.00 93.43 N +ATOM 1201 CA ASP A 153 8.835 2.725 15.380 1.00 93.32 C +ATOM 1202 C ASP A 153 8.493 4.017 14.611 1.00 93.67 C +ATOM 1203 O ASP A 153 7.446 4.615 14.864 1.00 92.37 O +ATOM 1204 CB ASP A 153 9.120 3.012 16.854 1.00 91.71 C +ATOM 1205 CG ASP A 153 10.301 3.953 17.113 1.00 85.81 C +ATOM 1206 OD1 ASP A 153 11.266 3.928 16.332 1.00 77.09 O +ATOM 1207 OD2 ASP A 153 10.229 4.731 18.093 1.00 74.86 O +ATOM 1208 N ARG A 154 9.326 4.436 13.675 1.00 93.33 N +ATOM 1209 CA ARG A 154 9.164 5.676 12.900 1.00 93.03 C +ATOM 1210 C ARG A 154 9.222 5.499 11.387 1.00 93.75 C +ATOM 1211 O ARG A 154 9.110 6.492 10.691 1.00 92.35 O +ATOM 1212 CB ARG A 154 10.198 6.706 13.337 1.00 90.68 C +ATOM 1213 CG ARG A 154 10.041 7.093 14.808 1.00 81.02 C +ATOM 1214 CD ARG A 154 10.997 8.222 15.143 1.00 73.34 C +ATOM 1215 NE ARG A 154 10.875 8.579 16.574 1.00 66.84 N +ATOM 1216 CZ ARG A 154 11.461 9.601 17.184 1.00 59.13 C +ATOM 1217 NH1 ARG A 154 12.231 10.426 16.529 1.00 52.36 N +ATOM 1218 NH2 ARG A 154 11.249 9.794 18.439 1.00 49.35 N1+ +ATOM 1219 N LEU A 155 9.436 4.307 10.875 1.00 96.04 N +ATOM 1220 CA LEU A 155 9.685 4.099 9.448 1.00 96.08 C +ATOM 1221 C LEU A 155 8.849 2.960 8.893 1.00 96.27 C +ATOM 1222 O LEU A 155 9.040 1.800 9.265 1.00 95.86 O +ATOM 1223 CB LEU A 155 11.188 3.882 9.228 1.00 95.66 C +ATOM 1224 CG LEU A 155 11.580 3.728 7.751 1.00 94.23 C +ATOM 1225 CD1 LEU A 155 13.078 3.433 7.635 1.00 93.30 C +ATOM 1226 CD2 LEU A 155 11.295 4.978 6.939 1.00 91.94 C +ATOM 1227 N VAL A 156 7.979 3.273 7.941 1.00 96.48 N +ATOM 1228 CA VAL A 156 7.214 2.293 7.177 1.00 96.53 C +ATOM 1229 C VAL A 156 7.704 2.206 5.738 1.00 96.61 C +ATOM 1230 O VAL A 156 8.217 3.172 5.182 1.00 96.25 O +ATOM 1231 CB VAL A 156 5.701 2.554 7.224 1.00 96.20 C +ATOM 1232 CG1 VAL A 156 5.172 2.411 8.648 1.00 95.11 C +ATOM 1233 CG2 VAL A 156 5.298 3.916 6.662 1.00 94.69 C +ATOM 1234 N LYS A 157 7.500 1.048 5.154 1.00 96.72 N +ATOM 1235 CA LYS A 157 7.849 0.756 3.765 1.00 96.61 C +ATOM 1236 C LYS A 157 6.713 0.008 3.074 1.00 96.69 C +ATOM 1237 O LYS A 157 6.209 -0.979 3.599 1.00 96.37 O +ATOM 1238 CB LYS A 157 9.142 -0.054 3.694 1.00 96.29 C +ATOM 1239 CG LYS A 157 10.316 0.692 4.352 1.00 95.55 C +ATOM 1240 CD LYS A 157 11.644 -0.022 4.119 1.00 94.79 C +ATOM 1241 CE LYS A 157 12.759 0.769 4.810 1.00 93.32 C +ATOM 1242 NZ LYS A 157 14.095 0.344 4.355 1.00 91.40 N1+ +ATOM 1243 N ILE A 158 6.359 0.454 1.892 1.00 96.53 N +ATOM 1244 CA ILE A 158 5.369 -0.210 1.047 1.00 96.58 C +ATOM 1245 C ILE A 158 6.019 -1.436 0.408 1.00 96.61 C +ATOM 1246 O ILE A 158 7.135 -1.361 -0.112 1.00 96.39 O +ATOM 1247 CB ILE A 158 4.809 0.764 -0.003 1.00 96.51 C +ATOM 1248 CG1 ILE A 158 4.187 2.002 0.669 1.00 96.19 C +ATOM 1249 CG2 ILE A 158 3.757 0.064 -0.885 1.00 96.15 C +ATOM 1250 CD1 ILE A 158 3.946 3.159 -0.301 1.00 95.55 C +ATOM 1251 N GLY A 159 5.326 -2.551 0.440 1.00 95.66 N +ATOM 1252 CA GLY A 159 5.730 -3.803 -0.186 1.00 95.37 C +ATOM 1253 C GLY A 159 4.634 -4.408 -1.064 1.00 95.51 C +ATOM 1254 O GLY A 159 3.605 -3.796 -1.333 1.00 94.74 O +ATOM 1255 N ASP A 160 4.861 -5.627 -1.493 1.00 94.43 N +ATOM 1256 CA ASP A 160 3.989 -6.445 -2.349 1.00 94.29 C +ATOM 1257 C ASP A 160 3.554 -5.772 -3.661 1.00 94.57 C +ATOM 1258 O ASP A 160 2.384 -5.485 -3.911 1.00 93.47 O +ATOM 1259 CB ASP A 160 2.817 -7.048 -1.569 1.00 92.80 C +ATOM 1260 CG ASP A 160 2.172 -8.206 -2.335 1.00 85.86 C +ATOM 1261 OD1 ASP A 160 2.706 -8.648 -3.380 1.00 73.43 O +ATOM 1262 OD2 ASP A 160 1.146 -8.717 -1.869 1.00 71.47 O +ATOM 1263 N PHE A 161 4.505 -5.622 -4.546 1.00 95.34 N +ATOM 1264 CA PHE A 161 4.293 -5.086 -5.896 1.00 95.34 C +ATOM 1265 C PHE A 161 3.714 -6.112 -6.894 1.00 95.23 C +ATOM 1266 O PHE A 161 3.740 -5.881 -8.095 1.00 94.09 O +ATOM 1267 CB PHE A 161 5.590 -4.440 -6.384 1.00 94.93 C +ATOM 1268 CG PHE A 161 5.937 -3.192 -5.600 1.00 94.97 C +ATOM 1269 CD1 PHE A 161 5.523 -1.938 -6.072 1.00 93.80 C +ATOM 1270 CD2 PHE A 161 6.620 -3.279 -4.376 1.00 93.59 C +ATOM 1271 CE1 PHE A 161 5.763 -0.781 -5.315 1.00 92.53 C +ATOM 1272 CE2 PHE A 161 6.854 -2.130 -3.602 1.00 92.82 C +ATOM 1273 CZ PHE A 161 6.425 -0.883 -4.076 1.00 93.08 C +ATOM 1274 N GLY A 162 3.163 -7.203 -6.394 1.00 94.73 N +ATOM 1275 CA GLY A 162 2.640 -8.288 -7.240 1.00 94.47 C +ATOM 1276 C GLY A 162 1.501 -7.878 -8.177 1.00 94.75 C +ATOM 1277 O GLY A 162 1.368 -8.438 -9.277 1.00 93.95 O +ATOM 1278 N LEU A 163 0.704 -6.894 -7.800 1.00 95.17 N +ATOM 1279 CA LEU A 163 -0.350 -6.326 -8.646 1.00 95.28 C +ATOM 1280 C LEU A 163 0.063 -5.022 -9.341 1.00 95.31 C +ATOM 1281 O LEU A 163 -0.710 -4.524 -10.160 1.00 94.76 O +ATOM 1282 CB LEU A 163 -1.618 -6.124 -7.804 1.00 95.04 C +ATOM 1283 CG LEU A 163 -2.301 -7.426 -7.355 1.00 94.35 C +ATOM 1284 CD1 LEU A 163 -3.580 -7.091 -6.577 1.00 93.67 C +ATOM 1285 CD2 LEU A 163 -2.728 -8.285 -8.559 1.00 92.99 C +ATOM 1286 N ALA A 164 1.214 -4.469 -9.027 1.00 95.77 N +ATOM 1287 CA ALA A 164 1.655 -3.202 -9.585 1.00 95.70 C +ATOM 1288 C ALA A 164 1.771 -3.273 -11.117 1.00 95.76 C +ATOM 1289 O ALA A 164 2.140 -4.295 -11.705 1.00 95.15 O +ATOM 1290 CB ALA A 164 2.961 -2.772 -8.924 1.00 95.29 C +ATOM 1291 N LYS A 165 1.422 -2.184 -11.770 1.00 95.36 N +ATOM 1292 CA LYS A 165 1.472 -2.068 -13.232 1.00 95.11 C +ATOM 1293 C LYS A 165 2.024 -0.717 -13.644 1.00 95.39 C +ATOM 1294 O LYS A 165 1.714 0.285 -13.037 1.00 94.91 O +ATOM 1295 CB LYS A 165 0.079 -2.273 -13.835 1.00 94.26 C +ATOM 1296 CG LYS A 165 -0.476 -3.687 -13.655 1.00 89.92 C +ATOM 1297 CD LYS A 165 0.345 -4.756 -14.374 1.00 85.85 C +ATOM 1298 CE LYS A 165 -0.243 -6.144 -14.112 1.00 79.24 C +ATOM 1299 NZ LYS A 165 0.611 -7.203 -14.724 1.00 72.56 N1+ +ATOM 1300 N ALA A 166 2.782 -0.718 -14.721 1.00 94.84 N +ATOM 1301 CA ALA A 166 3.126 0.505 -15.421 1.00 94.76 C +ATOM 1302 C ALA A 166 1.884 1.061 -16.138 1.00 94.74 C +ATOM 1303 O ALA A 166 1.136 0.312 -16.785 1.00 93.94 O +ATOM 1304 CB ALA A 166 4.255 0.210 -16.407 1.00 94.09 C +ATOM 1305 N VAL A 167 1.689 2.351 -16.028 1.00 93.09 N +ATOM 1306 CA VAL A 167 0.688 3.050 -16.829 1.00 92.84 C +ATOM 1307 C VAL A 167 1.302 3.307 -18.192 1.00 92.66 C +ATOM 1308 O VAL A 167 2.356 3.935 -18.278 1.00 91.69 O +ATOM 1309 CB VAL A 167 0.242 4.359 -16.164 1.00 92.19 C +ATOM 1310 CG1 VAL A 167 -0.348 4.071 -14.790 1.00 90.84 C +ATOM 1311 CG2 VAL A 167 -0.842 5.055 -16.990 1.00 91.07 C +ATOM 1312 N PRO A 168 0.696 2.839 -19.281 1.00 90.06 N +ATOM 1313 CA PRO A 168 1.226 3.086 -20.619 1.00 89.39 C +ATOM 1314 C PRO A 168 1.318 4.569 -20.933 1.00 89.30 C +ATOM 1315 O PRO A 168 0.433 5.341 -20.545 1.00 87.98 O +ATOM 1316 CB PRO A 168 0.282 2.378 -21.598 1.00 87.97 C +ATOM 1317 CG PRO A 168 -0.389 1.313 -20.747 1.00 86.40 C +ATOM 1318 CD PRO A 168 -0.477 1.986 -19.366 1.00 87.85 C +ATOM 1319 N GLU A 169 2.324 4.975 -21.635 1.00 86.90 N +ATOM 1320 CA GLU A 169 2.512 6.366 -22.027 1.00 86.44 C +ATOM 1321 C GLU A 169 1.313 6.892 -22.794 1.00 86.54 C +ATOM 1322 O GLU A 169 0.739 6.190 -23.652 1.00 82.57 O +ATOM 1323 CB GLU A 169 3.815 6.501 -22.813 1.00 83.22 C +ATOM 1324 CG GLU A 169 4.228 7.959 -23.017 1.00 76.12 C +ATOM 1325 CD GLU A 169 5.575 8.120 -23.729 1.00 70.48 C +ATOM 1326 OE1 GLU A 169 6.064 9.275 -23.779 1.00 60.93 O +ATOM 1327 OE2 GLU A 169 6.118 7.121 -24.226 1.00 59.25 O +ATOM 1328 N GLY A 170 0.886 8.099 -22.492 1.00 86.92 N +ATOM 1329 CA GLY A 170 -0.311 8.701 -23.082 1.00 86.75 C +ATOM 1330 C GLY A 170 -1.637 8.151 -22.544 1.00 87.54 C +ATOM 1331 O GLY A 170 -2.692 8.536 -23.041 1.00 85.71 O +ATOM 1332 N HIS A 171 -1.617 7.265 -21.552 1.00 87.69 N +ATOM 1333 CA HIS A 171 -2.819 6.761 -20.890 1.00 87.80 C +ATOM 1334 C HIS A 171 -2.918 7.283 -19.460 1.00 88.61 C +ATOM 1335 O HIS A 171 -1.927 7.537 -18.801 1.00 86.91 O +ATOM 1336 CB HIS A 171 -2.829 5.232 -20.919 1.00 86.70 C +ATOM 1337 CG HIS A 171 -2.961 4.648 -22.296 1.00 86.58 C +ATOM 1338 ND1 HIS A 171 -1.969 4.604 -23.246 1.00 77.98 N1+ +ATOM 1339 CD2 HIS A 171 -4.073 4.056 -22.824 1.00 78.05 C +ATOM 1340 CE1 HIS A 171 -2.456 4.016 -24.338 1.00 77.25 C +ATOM 1341 NE2 HIS A 171 -3.738 3.664 -24.143 1.00 79.69 N +ATOM 1342 N GLU A 172 -4.133 7.418 -18.992 1.00 89.54 N +ATOM 1343 CA GLU A 172 -4.432 7.835 -17.628 1.00 89.50 C +ATOM 1344 C GLU A 172 -4.710 6.650 -16.699 1.00 90.36 C +ATOM 1345 O GLU A 172 -4.707 6.787 -15.481 1.00 88.20 O +ATOM 1346 CB GLU A 172 -5.627 8.790 -17.629 1.00 86.77 C +ATOM 1347 CG GLU A 172 -5.339 10.074 -18.401 1.00 79.77 C +ATOM 1348 CD GLU A 172 -6.488 11.084 -18.347 1.00 76.85 C +ATOM 1349 OE1 GLU A 172 -6.239 12.250 -18.721 1.00 64.87 O +ATOM 1350 OE2 GLU A 172 -7.617 10.693 -17.955 1.00 62.77 O +ATOM 1351 N TYR A 173 -4.940 5.484 -17.270 1.00 91.60 N +ATOM 1352 CA TYR A 173 -5.299 4.288 -16.514 1.00 92.20 C +ATOM 1353 C TYR A 173 -4.697 3.013 -17.113 1.00 92.42 C +ATOM 1354 O TYR A 173 -4.383 2.915 -18.286 1.00 90.90 O +ATOM 1355 CB TYR A 173 -6.823 4.169 -16.410 1.00 91.23 C +ATOM 1356 CG TYR A 173 -7.541 3.957 -17.725 1.00 91.55 C +ATOM 1357 CD1 TYR A 173 -8.037 5.052 -18.453 1.00 90.42 C +ATOM 1358 CD2 TYR A 173 -7.734 2.666 -18.224 1.00 90.51 C +ATOM 1359 CE1 TYR A 173 -8.708 4.868 -19.679 1.00 89.55 C +ATOM 1360 CE2 TYR A 173 -8.401 2.457 -19.461 1.00 89.83 C +ATOM 1361 CZ TYR A 173 -8.873 3.561 -20.174 1.00 90.13 C +ATOM 1362 OH TYR A 173 -9.543 3.375 -21.375 1.00 87.81 O +ATOM 1363 N TYR A 174 -4.629 1.988 -16.300 1.00 92.52 N +ATOM 1364 CA TYR A 174 -4.406 0.615 -16.703 1.00 92.51 C +ATOM 1365 C TYR A 174 -5.728 -0.154 -16.661 1.00 92.58 C +ATOM 1366 O TYR A 174 -6.521 0.021 -15.743 1.00 91.49 O +ATOM 1367 CB TYR A 174 -3.346 -0.008 -15.789 1.00 91.46 C +ATOM 1368 CG TYR A 174 -3.064 -1.453 -16.117 1.00 90.13 C +ATOM 1369 CD1 TYR A 174 -2.216 -1.777 -17.195 1.00 88.00 C +ATOM 1370 CD2 TYR A 174 -3.694 -2.485 -15.389 1.00 87.15 C +ATOM 1371 CE1 TYR A 174 -1.981 -3.119 -17.544 1.00 85.52 C +ATOM 1372 CE2 TYR A 174 -3.472 -3.827 -15.738 1.00 86.37 C +ATOM 1373 CZ TYR A 174 -2.616 -4.142 -16.815 1.00 86.09 C +ATOM 1374 OH TYR A 174 -2.385 -5.446 -17.146 1.00 83.83 O +ATOM 1375 N ARG A 175 -5.979 -1.029 -17.634 1.00 91.42 N +ATOM 1376 CA ARG A 175 -7.170 -1.889 -17.658 1.00 91.11 C +ATOM 1377 C ARG A 175 -6.793 -3.339 -17.436 1.00 90.98 C +ATOM 1378 O ARG A 175 -5.980 -3.878 -18.183 1.00 89.87 O +ATOM 1379 CB ARG A 175 -7.936 -1.684 -18.959 1.00 90.26 C +ATOM 1380 CG ARG A 175 -9.362 -2.216 -18.827 1.00 86.72 C +ATOM 1381 CD ARG A 175 -10.147 -1.929 -20.122 1.00 85.97 C +ATOM 1382 NE ARG A 175 -11.561 -1.711 -19.830 1.00 82.38 N +ATOM 1383 CZ ARG A 175 -12.483 -1.295 -20.692 1.00 80.62 C +ATOM 1384 NH1 ARG A 175 -12.226 -1.161 -21.963 1.00 74.83 N +ATOM 1385 NH2 ARG A 175 -13.660 -0.993 -20.272 1.00 75.49 N1+ +ATOM 1386 N VAL A 176 -7.415 -3.953 -16.456 1.00 87.77 N +ATOM 1387 CA VAL A 176 -7.245 -5.377 -16.196 1.00 87.35 C +ATOM 1388 C VAL A 176 -8.174 -6.179 -17.098 1.00 86.97 C +ATOM 1389 O VAL A 176 -9.294 -5.770 -17.375 1.00 84.20 O +ATOM 1390 CB VAL A 176 -7.461 -5.699 -14.711 1.00 85.36 C +ATOM 1391 CG1 VAL A 176 -6.470 -4.905 -13.870 1.00 83.50 C +ATOM 1392 CG2 VAL A 176 -7.237 -7.176 -14.370 1.00 82.74 C +ATOM 1393 N ARG A 177 -7.700 -7.315 -17.564 1.00 80.11 N +ATOM 1394 CA ARG A 177 -8.462 -8.237 -18.391 1.00 79.26 C +ATOM 1395 C ARG A 177 -8.671 -9.617 -17.757 1.00 79.57 C +ATOM 1396 O ARG A 177 -9.306 -10.468 -18.373 1.00 73.16 O +ATOM 1397 CB ARG A 177 -7.805 -8.384 -19.764 1.00 74.49 C +ATOM 1398 CG ARG A 177 -7.758 -7.075 -20.554 1.00 67.78 C +ATOM 1399 CD ARG A 177 -7.210 -7.353 -21.953 1.00 63.09 C +ATOM 1400 NE ARG A 177 -7.128 -6.131 -22.738 1.00 57.91 N +ATOM 1401 CZ ARG A 177 -6.728 -6.081 -24.011 1.00 50.30 C +ATOM 1402 NH1 ARG A 177 -6.368 -7.148 -24.647 1.00 48.93 N +ATOM 1403 NH2 ARG A 177 -6.681 -4.938 -24.626 1.00 45.04 N1+ +ATOM 1404 N GLU A 178 -8.076 -9.829 -16.608 1.00 74.98 N +ATOM 1405 CA GLU A 178 -8.010 -11.131 -15.964 1.00 72.96 C +ATOM 1406 C GLU A 178 -8.829 -11.110 -14.678 1.00 73.15 C +ATOM 1407 O GLU A 178 -8.671 -10.222 -13.855 1.00 68.17 O +ATOM 1408 CB GLU A 178 -6.553 -11.463 -15.683 1.00 68.44 C +ATOM 1409 CG GLU A 178 -5.734 -11.590 -16.970 1.00 63.03 C +ATOM 1410 CD GLU A 178 -4.223 -11.721 -16.731 1.00 59.06 C +ATOM 1411 OE1 GLU A 178 -3.463 -11.558 -17.717 1.00 50.78 O +ATOM 1412 OE2 GLU A 178 -3.802 -11.994 -15.580 1.00 48.59 O +ATOM 1413 N ASP A 179 -9.680 -12.119 -14.524 1.00 72.15 N +ATOM 1414 CA ASP A 179 -10.299 -12.401 -13.247 1.00 71.91 C +ATOM 1415 C ASP A 179 -9.280 -13.069 -12.321 1.00 72.51 C +ATOM 1416 O ASP A 179 -8.473 -13.904 -12.726 1.00 67.87 O +ATOM 1417 CB ASP A 179 -11.526 -13.296 -13.463 1.00 67.90 C +ATOM 1418 CG ASP A 179 -12.644 -12.573 -14.195 1.00 65.07 C +ATOM 1419 OD1 ASP A 179 -12.810 -11.362 -14.002 1.00 56.70 O +ATOM 1420 OD2 ASP A 179 -13.358 -13.254 -14.965 1.00 56.66 O +ATOM 1421 N GLY A 180 -9.323 -12.717 -11.066 1.00 74.26 N +ATOM 1422 CA GLY A 180 -8.448 -13.292 -10.034 1.00 73.37 C +ATOM 1423 C GLY A 180 -8.797 -12.765 -8.661 1.00 74.82 C +ATOM 1424 O GLY A 180 -9.632 -11.870 -8.516 1.00 70.54 O +ATOM 1425 N ASP A 181 -8.141 -13.282 -7.665 1.00 78.93 N +ATOM 1426 CA ASP A 181 -8.298 -12.823 -6.290 1.00 79.77 C +ATOM 1427 C ASP A 181 -7.837 -11.373 -6.164 1.00 81.09 C +ATOM 1428 O ASP A 181 -6.653 -11.064 -6.062 1.00 78.24 O +ATOM 1429 CB ASP A 181 -7.561 -13.749 -5.319 1.00 76.47 C +ATOM 1430 CG ASP A 181 -8.293 -15.074 -5.086 1.00 73.11 C +ATOM 1431 OD1 ASP A 181 -9.510 -15.124 -5.299 1.00 66.91 O +ATOM 1432 OD2 ASP A 181 -7.611 -16.030 -4.661 1.00 67.35 O +ATOM 1433 N SER A 182 -8.805 -10.499 -6.190 1.00 88.74 N +ATOM 1434 CA SER A 182 -8.596 -9.057 -6.104 1.00 89.10 C +ATOM 1435 C SER A 182 -9.022 -8.545 -4.721 1.00 89.56 C +ATOM 1436 O SER A 182 -10.051 -8.963 -4.201 1.00 88.47 O +ATOM 1437 CB SER A 182 -9.391 -8.366 -7.208 1.00 87.81 C +ATOM 1438 OG SER A 182 -8.829 -8.676 -8.479 1.00 83.94 O +ATOM 1439 N PRO A 183 -8.295 -7.609 -4.131 1.00 93.10 N +ATOM 1440 CA PRO A 183 -8.643 -7.016 -2.839 1.00 93.11 C +ATOM 1441 C PRO A 183 -9.814 -6.026 -2.994 1.00 93.44 C +ATOM 1442 O PRO A 183 -9.644 -4.827 -2.786 1.00 92.72 O +ATOM 1443 CB PRO A 183 -7.344 -6.395 -2.336 1.00 92.35 C +ATOM 1444 CG PRO A 183 -6.647 -5.943 -3.619 1.00 91.11 C +ATOM 1445 CD PRO A 183 -7.022 -7.074 -4.597 1.00 92.47 C +ATOM 1446 N VAL A 184 -10.980 -6.513 -3.343 1.00 95.20 N +ATOM 1447 CA VAL A 184 -12.142 -5.722 -3.761 1.00 95.20 C +ATOM 1448 C VAL A 184 -12.587 -4.690 -2.726 1.00 95.33 C +ATOM 1449 O VAL A 184 -12.996 -3.596 -3.106 1.00 94.86 O +ATOM 1450 CB VAL A 184 -13.327 -6.617 -4.145 1.00 94.66 C +ATOM 1451 CG1 VAL A 184 -12.976 -7.472 -5.374 1.00 93.24 C +ATOM 1452 CG2 VAL A 184 -13.792 -7.543 -3.018 1.00 92.95 C +ATOM 1453 N PHE A 185 -12.443 -4.976 -1.446 1.00 95.08 N +ATOM 1454 CA PHE A 185 -12.807 -4.040 -0.378 1.00 95.19 C +ATOM 1455 C PHE A 185 -11.885 -2.818 -0.267 1.00 95.24 C +ATOM 1456 O PHE A 185 -12.208 -1.862 0.419 1.00 94.91 O +ATOM 1457 CB PHE A 185 -12.862 -4.796 0.941 1.00 95.10 C +ATOM 1458 CG PHE A 185 -13.844 -5.947 0.940 1.00 95.11 C +ATOM 1459 CD1 PHE A 185 -15.231 -5.699 0.896 1.00 94.57 C +ATOM 1460 CD2 PHE A 185 -13.386 -7.271 0.994 1.00 94.55 C +ATOM 1461 CE1 PHE A 185 -16.123 -6.768 0.912 1.00 93.90 C +ATOM 1462 CE2 PHE A 185 -14.287 -8.339 1.000 1.00 93.85 C +ATOM 1463 CZ PHE A 185 -15.663 -8.090 0.965 1.00 93.88 C +ATOM 1464 N TRP A 186 -10.769 -2.823 -0.951 1.00 95.00 N +ATOM 1465 CA TRP A 186 -9.897 -1.659 -1.114 1.00 95.02 C +ATOM 1466 C TRP A 186 -10.075 -0.959 -2.471 1.00 95.08 C +ATOM 1467 O TRP A 186 -9.402 0.037 -2.724 1.00 94.92 O +ATOM 1468 CB TRP A 186 -8.433 -2.077 -0.916 1.00 95.07 C +ATOM 1469 CG TRP A 186 -8.059 -2.380 0.507 1.00 95.27 C +ATOM 1470 CD1 TRP A 186 -7.374 -1.560 1.336 1.00 95.09 C +ATOM 1471 CD2 TRP A 186 -8.381 -3.586 1.287 1.00 95.25 C +ATOM 1472 NE1 TRP A 186 -7.248 -2.166 2.590 1.00 94.89 N +ATOM 1473 CE2 TRP A 186 -7.870 -3.395 2.597 1.00 94.97 C +ATOM 1474 CE3 TRP A 186 -9.057 -4.797 1.023 1.00 94.92 C +ATOM 1475 CZ2 TRP A 186 -8.032 -4.362 3.626 1.00 94.53 C +ATOM 1476 CZ3 TRP A 186 -9.218 -5.761 2.041 1.00 94.62 C +ATOM 1477 CH2 TRP A 186 -8.708 -5.535 3.334 1.00 94.46 C +ATOM 1478 N TYR A 187 -10.919 -1.466 -3.330 1.00 95.80 N +ATOM 1479 CA TYR A 187 -11.060 -0.964 -4.686 1.00 95.72 C +ATOM 1480 C TYR A 187 -12.117 0.131 -4.811 1.00 95.92 C +ATOM 1481 O TYR A 187 -13.207 0.045 -4.265 1.00 95.55 O +ATOM 1482 CB TYR A 187 -11.311 -2.111 -5.668 1.00 95.32 C +ATOM 1483 CG TYR A 187 -10.102 -2.955 -6.047 1.00 94.46 C +ATOM 1484 CD1 TYR A 187 -8.808 -2.700 -5.553 1.00 93.27 C +ATOM 1485 CD2 TYR A 187 -10.288 -4.002 -6.973 1.00 92.50 C +ATOM 1486 CE1 TYR A 187 -7.716 -3.468 -5.960 1.00 92.13 C +ATOM 1487 CE2 TYR A 187 -9.194 -4.777 -7.391 1.00 91.86 C +ATOM 1488 CZ TYR A 187 -7.915 -4.513 -6.887 1.00 91.99 C +ATOM 1489 OH TYR A 187 -6.841 -5.271 -7.294 1.00 91.58 O +ATOM 1490 N ALA A 188 -11.779 1.138 -5.610 1.00 95.60 N +ATOM 1491 CA ALA A 188 -12.673 2.190 -6.030 1.00 95.55 C +ATOM 1492 C ALA A 188 -13.740 1.668 -7.005 1.00 95.60 C +ATOM 1493 O ALA A 188 -13.539 0.650 -7.671 1.00 95.44 O +ATOM 1494 CB ALA A 188 -11.816 3.288 -6.658 1.00 95.43 C +ATOM 1495 N PRO A 189 -14.861 2.385 -7.177 1.00 95.13 N +ATOM 1496 CA PRO A 189 -15.947 1.979 -8.072 1.00 94.93 C +ATOM 1497 C PRO A 189 -15.510 1.670 -9.503 1.00 94.98 C +ATOM 1498 O PRO A 189 -15.909 0.653 -10.063 1.00 94.69 O +ATOM 1499 CB PRO A 189 -16.945 3.143 -8.038 1.00 94.63 C +ATOM 1500 CG PRO A 189 -16.762 3.718 -6.634 1.00 93.84 C +ATOM 1501 CD PRO A 189 -15.249 3.571 -6.415 1.00 94.61 C +ATOM 1502 N GLU A 190 -14.640 2.467 -10.095 1.00 94.83 N +ATOM 1503 CA GLU A 190 -14.128 2.242 -11.452 1.00 94.78 C +ATOM 1504 C GLU A 190 -13.318 0.957 -11.607 1.00 94.67 C +ATOM 1505 O GLU A 190 -13.283 0.363 -12.674 1.00 94.12 O +ATOM 1506 CB GLU A 190 -13.313 3.463 -11.933 1.00 94.55 C +ATOM 1507 CG GLU A 190 -11.956 3.709 -11.270 1.00 93.77 C +ATOM 1508 CD GLU A 190 -11.970 4.440 -9.913 1.00 93.73 C +ATOM 1509 OE1 GLU A 190 -10.892 4.672 -9.351 1.00 87.41 O +ATOM 1510 OE2 GLU A 190 -13.056 4.792 -9.417 1.00 86.21 O +ATOM 1511 N CYS A 191 -12.676 0.502 -10.510 1.00 95.26 N +ATOM 1512 CA CYS A 191 -11.963 -0.770 -10.492 1.00 95.12 C +ATOM 1513 C CYS A 191 -12.940 -1.948 -10.473 1.00 95.06 C +ATOM 1514 O CYS A 191 -12.714 -2.943 -11.153 1.00 94.59 O +ATOM 1515 CB CYS A 191 -11.029 -0.832 -9.276 1.00 94.96 C +ATOM 1516 SG CYS A 191 -9.899 0.578 -9.195 1.00 94.43 S +ATOM 1517 N LEU A 192 -13.989 -1.824 -9.682 1.00 94.61 N +ATOM 1518 CA LEU A 192 -15.013 -2.874 -9.533 1.00 94.53 C +ATOM 1519 C LEU A 192 -15.886 -3.020 -10.775 1.00 94.47 C +ATOM 1520 O LEU A 192 -16.233 -4.136 -11.163 1.00 94.08 O +ATOM 1521 CB LEU A 192 -15.894 -2.527 -8.328 1.00 94.46 C +ATOM 1522 CG LEU A 192 -15.152 -2.500 -6.971 1.00 94.03 C +ATOM 1523 CD1 LEU A 192 -16.123 -2.062 -5.866 1.00 93.34 C +ATOM 1524 CD2 LEU A 192 -14.604 -3.874 -6.586 1.00 93.17 C +ATOM 1525 N LYS A 193 -16.268 -1.909 -11.370 1.00 94.20 N +ATOM 1526 CA LYS A 193 -17.261 -1.845 -12.459 1.00 93.88 C +ATOM 1527 C LYS A 193 -16.652 -1.898 -13.852 1.00 93.94 C +ATOM 1528 O LYS A 193 -17.219 -2.512 -14.754 1.00 92.97 O +ATOM 1529 CB LYS A 193 -18.104 -0.577 -12.244 1.00 92.96 C +ATOM 1530 CG LYS A 193 -19.357 -0.529 -13.082 1.00 88.40 C +ATOM 1531 CD LYS A 193 -20.157 0.705 -12.696 1.00 86.08 C +ATOM 1532 CE LYS A 193 -21.499 0.762 -13.416 1.00 79.19 C +ATOM 1533 NZ LYS A 193 -22.339 1.838 -12.868 1.00 73.66 N1+ +ATOM 1534 N GLU A 194 -15.538 -1.254 -14.040 1.00 93.78 N +ATOM 1535 CA GLU A 194 -14.921 -1.053 -15.352 1.00 93.54 C +ATOM 1536 C GLU A 194 -13.564 -1.705 -15.524 1.00 93.82 C +ATOM 1537 O GLU A 194 -12.978 -1.648 -16.617 1.00 92.50 O +ATOM 1538 CB GLU A 194 -14.813 0.442 -15.661 1.00 92.23 C +ATOM 1539 CG GLU A 194 -16.147 1.186 -15.610 1.00 85.29 C +ATOM 1540 CD GLU A 194 -16.019 2.650 -16.053 1.00 79.33 C +ATOM 1541 OE1 GLU A 194 -16.996 3.356 -16.016 1.00 67.98 O +ATOM 1542 OE2 GLU A 194 -14.876 3.064 -16.436 1.00 65.19 O +ATOM 1543 N TYR A 195 -13.036 -2.289 -14.489 1.00 93.39 N +ATOM 1544 CA TYR A 195 -11.678 -2.850 -14.424 1.00 93.23 C +ATOM 1545 C TYR A 195 -10.565 -1.852 -14.777 1.00 93.55 C +ATOM 1546 O TYR A 195 -9.503 -2.224 -15.263 1.00 92.40 O +ATOM 1547 CB TYR A 195 -11.607 -4.141 -15.255 1.00 92.00 C +ATOM 1548 CG TYR A 195 -12.647 -5.180 -14.864 1.00 89.29 C +ATOM 1549 CD1 TYR A 195 -12.333 -6.140 -13.880 1.00 85.60 C +ATOM 1550 CD2 TYR A 195 -13.914 -5.198 -15.487 1.00 83.16 C +ATOM 1551 CE1 TYR A 195 -13.284 -7.103 -13.509 1.00 78.57 C +ATOM 1552 CE2 TYR A 195 -14.872 -6.146 -15.115 1.00 79.74 C +ATOM 1553 CZ TYR A 195 -14.556 -7.105 -14.134 1.00 78.80 C +ATOM 1554 OH TYR A 195 -15.478 -8.062 -13.768 1.00 77.13 O +ATOM 1555 N LYS A 196 -10.836 -0.581 -14.539 1.00 94.01 N +ATOM 1556 CA LYS A 196 -9.889 0.510 -14.766 1.00 93.72 C +ATOM 1557 C LYS A 196 -9.195 0.902 -13.483 1.00 93.89 C +ATOM 1558 O LYS A 196 -9.843 1.112 -12.476 1.00 93.03 O +ATOM 1559 CB LYS A 196 -10.594 1.724 -15.362 1.00 92.96 C +ATOM 1560 CG LYS A 196 -11.109 1.508 -16.815 1.00 89.84 C +ATOM 1561 CD LYS A 196 -11.845 2.766 -17.252 1.00 87.11 C +ATOM 1562 CE LYS A 196 -12.551 2.603 -18.587 1.00 82.52 C +ATOM 1563 NZ LYS A 196 -13.586 3.677 -18.754 1.00 77.82 N1+ +ATOM 1564 N PHE A 197 -7.907 1.058 -13.558 1.00 94.16 N +ATOM 1565 CA PHE A 197 -7.062 1.476 -12.439 1.00 94.30 C +ATOM 1566 C PHE A 197 -6.330 2.759 -12.806 1.00 94.24 C +ATOM 1567 O PHE A 197 -5.423 2.746 -13.641 1.00 93.00 O +ATOM 1568 CB PHE A 197 -6.086 0.364 -12.075 1.00 93.41 C +ATOM 1569 CG PHE A 197 -6.750 -0.859 -11.490 1.00 91.35 C +ATOM 1570 CD1 PHE A 197 -6.804 -1.036 -10.105 1.00 87.39 C +ATOM 1571 CD2 PHE A 197 -7.359 -1.808 -12.338 1.00 88.79 C +ATOM 1572 CE1 PHE A 197 -7.462 -2.151 -9.558 1.00 87.91 C +ATOM 1573 CE2 PHE A 197 -8.031 -2.914 -11.794 1.00 87.41 C +ATOM 1574 CZ PHE A 197 -8.081 -3.083 -10.405 1.00 87.19 C +ATOM 1575 N TYR A 198 -6.734 3.832 -12.179 1.00 94.95 N +ATOM 1576 CA TYR A 198 -6.101 5.140 -12.254 1.00 94.78 C +ATOM 1577 C TYR A 198 -5.125 5.310 -11.092 1.00 94.88 C +ATOM 1578 O TYR A 198 -5.202 4.596 -10.097 1.00 94.30 O +ATOM 1579 CB TYR A 198 -7.179 6.225 -12.194 1.00 94.25 C +ATOM 1580 CG TYR A 198 -8.153 6.195 -13.358 1.00 93.57 C +ATOM 1581 CD1 TYR A 198 -7.970 7.051 -14.459 1.00 92.38 C +ATOM 1582 CD2 TYR A 198 -9.254 5.325 -13.348 1.00 91.27 C +ATOM 1583 CE1 TYR A 198 -8.874 7.022 -15.536 1.00 90.54 C +ATOM 1584 CE2 TYR A 198 -10.158 5.280 -14.417 1.00 91.42 C +ATOM 1585 CZ TYR A 198 -9.957 6.130 -15.502 1.00 91.24 C +ATOM 1586 OH TYR A 198 -10.826 6.104 -16.555 1.00 89.37 O +ATOM 1587 N TYR A 199 -4.282 6.322 -11.144 1.00 95.90 N +ATOM 1588 CA TYR A 199 -3.551 6.774 -9.957 1.00 95.82 C +ATOM 1589 C TYR A 199 -4.488 7.098 -8.792 1.00 95.89 C +ATOM 1590 O TYR A 199 -4.263 6.695 -7.661 1.00 95.49 O +ATOM 1591 CB TYR A 199 -2.703 7.996 -10.315 1.00 95.53 C +ATOM 1592 CG TYR A 199 -1.642 7.725 -11.365 1.00 95.13 C +ATOM 1593 CD1 TYR A 199 -0.540 6.906 -11.058 1.00 94.42 C +ATOM 1594 CD2 TYR A 199 -1.736 8.310 -12.643 1.00 94.15 C +ATOM 1595 CE1 TYR A 199 0.455 6.668 -12.023 1.00 93.57 C +ATOM 1596 CE2 TYR A 199 -0.745 8.079 -13.607 1.00 93.53 C +ATOM 1597 CZ TYR A 199 0.347 7.260 -13.289 1.00 93.55 C +ATOM 1598 OH TYR A 199 1.348 7.030 -14.225 1.00 92.40 O +ATOM 1599 N ALA A 200 -5.612 7.722 -9.101 1.00 95.30 N +ATOM 1600 CA ALA A 200 -6.663 8.003 -8.130 1.00 95.20 C +ATOM 1601 C ALA A 200 -7.313 6.748 -7.522 1.00 95.44 C +ATOM 1602 O ALA A 200 -7.946 6.844 -6.473 1.00 95.12 O +ATOM 1603 CB ALA A 200 -7.701 8.883 -8.831 1.00 94.73 C +ATOM 1604 N SER A 201 -7.168 5.574 -8.132 1.00 96.04 N +ATOM 1605 CA SER A 201 -7.645 4.322 -7.546 1.00 95.99 C +ATOM 1606 C SER A 201 -6.744 3.860 -6.399 1.00 96.09 C +ATOM 1607 O SER A 201 -7.254 3.345 -5.416 1.00 95.87 O +ATOM 1608 CB SER A 201 -7.744 3.221 -8.612 1.00 95.80 C +ATOM 1609 OG SER A 201 -8.435 3.668 -9.774 1.00 95.29 O +ATOM 1610 N ASP A 202 -5.461 4.146 -6.474 1.00 96.35 N +ATOM 1611 CA ASP A 202 -4.566 3.941 -5.327 1.00 96.32 C +ATOM 1612 C ASP A 202 -4.862 4.920 -4.194 1.00 96.36 C +ATOM 1613 O ASP A 202 -4.790 4.538 -3.029 1.00 96.07 O +ATOM 1614 CB ASP A 202 -3.103 4.096 -5.751 1.00 96.23 C +ATOM 1615 CG ASP A 202 -2.507 2.894 -6.474 1.00 96.03 C +ATOM 1616 OD1 ASP A 202 -3.043 1.770 -6.376 1.00 95.20 O +ATOM 1617 OD2 ASP A 202 -1.421 3.079 -7.074 1.00 94.73 O +ATOM 1618 N VAL A 203 -5.268 6.134 -4.519 1.00 96.15 N +ATOM 1619 CA VAL A 203 -5.710 7.111 -3.506 1.00 96.22 C +ATOM 1620 C VAL A 203 -6.955 6.628 -2.766 1.00 96.28 C +ATOM 1621 O VAL A 203 -7.029 6.770 -1.548 1.00 96.12 O +ATOM 1622 CB VAL A 203 -5.964 8.486 -4.143 1.00 96.18 C +ATOM 1623 CG1 VAL A 203 -4.669 9.059 -4.725 1.00 95.98 C +ATOM 1624 CG2 VAL A 203 -6.488 9.503 -3.120 1.00 96.04 C +ATOM 1625 N TRP A 204 -7.875 5.993 -3.453 1.00 96.10 N +ATOM 1626 CA TRP A 204 -8.995 5.332 -2.783 1.00 96.08 C +ATOM 1627 C TRP A 204 -8.503 4.251 -1.816 1.00 96.05 C +ATOM 1628 O TRP A 204 -8.899 4.238 -0.646 1.00 95.77 O +ATOM 1629 CB TRP A 204 -9.940 4.719 -3.822 1.00 96.10 C +ATOM 1630 CG TRP A 204 -11.112 3.997 -3.221 1.00 96.19 C +ATOM 1631 CD1 TRP A 204 -11.075 2.822 -2.548 1.00 95.80 C +ATOM 1632 CD2 TRP A 204 -12.520 4.405 -3.249 1.00 95.89 C +ATOM 1633 NE1 TRP A 204 -12.357 2.491 -2.124 1.00 95.57 N +ATOM 1634 CE2 TRP A 204 -13.265 3.433 -2.533 1.00 95.76 C +ATOM 1635 CE3 TRP A 204 -13.209 5.503 -3.811 1.00 95.80 C +ATOM 1636 CZ2 TRP A 204 -14.669 3.549 -2.348 1.00 95.45 C +ATOM 1637 CZ3 TRP A 204 -14.605 5.609 -3.641 1.00 95.51 C +ATOM 1638 CH2 TRP A 204 -15.323 4.648 -2.909 1.00 95.38 C +ATOM 1639 N SER A 205 -7.624 3.387 -2.269 1.00 96.03 N +ATOM 1640 CA SER A 205 -7.036 2.332 -1.432 1.00 95.93 C +ATOM 1641 C SER A 205 -6.280 2.903 -0.232 1.00 96.03 C +ATOM 1642 O SER A 205 -6.345 2.341 0.858 1.00 95.80 O +ATOM 1643 CB SER A 205 -6.095 1.459 -2.254 1.00 95.72 C +ATOM 1644 OG SER A 205 -6.764 0.937 -3.397 1.00 94.71 O +ATOM 1645 N PHE A 206 -5.622 4.034 -0.405 1.00 96.61 N +ATOM 1646 CA PHE A 206 -5.002 4.761 0.694 1.00 96.63 C +ATOM 1647 C PHE A 206 -6.034 5.226 1.723 1.00 96.66 C +ATOM 1648 O PHE A 206 -5.799 5.045 2.917 1.00 96.51 O +ATOM 1649 CB PHE A 206 -4.209 5.955 0.164 1.00 96.63 C +ATOM 1650 CG PHE A 206 -3.716 6.851 1.276 1.00 96.68 C +ATOM 1651 CD1 PHE A 206 -2.656 6.434 2.095 1.00 96.39 C +ATOM 1652 CD2 PHE A 206 -4.386 8.048 1.565 1.00 96.42 C +ATOM 1653 CE1 PHE A 206 -2.265 7.205 3.208 1.00 96.17 C +ATOM 1654 CE2 PHE A 206 -4.007 8.831 2.671 1.00 96.15 C +ATOM 1655 CZ PHE A 206 -2.945 8.401 3.496 1.00 96.12 C +ATOM 1656 N GLY A 207 -7.165 5.741 1.318 1.00 96.39 N +ATOM 1657 CA GLY A 207 -8.239 6.081 2.243 1.00 96.31 C +ATOM 1658 C GLY A 207 -8.693 4.877 3.075 1.00 96.46 C +ATOM 1659 O GLY A 207 -8.868 4.991 4.285 1.00 96.24 O +ATOM 1660 N VAL A 208 -8.805 3.708 2.452 1.00 96.32 N +ATOM 1661 CA VAL A 208 -9.104 2.453 3.154 1.00 96.30 C +ATOM 1662 C VAL A 208 -7.945 2.032 4.059 1.00 96.27 C +ATOM 1663 O VAL A 208 -8.169 1.591 5.185 1.00 96.11 O +ATOM 1664 CB VAL A 208 -9.471 1.330 2.166 1.00 96.29 C +ATOM 1665 CG1 VAL A 208 -10.643 1.727 1.258 1.00 96.13 C +ATOM 1666 CG2 VAL A 208 -9.889 0.061 2.911 1.00 96.23 C +ATOM 1667 N THR A 209 -6.714 2.219 3.631 1.00 96.32 N +ATOM 1668 CA THR A 209 -5.528 1.955 4.466 1.00 96.31 C +ATOM 1669 C THR A 209 -5.484 2.887 5.671 1.00 96.34 C +ATOM 1670 O THR A 209 -5.246 2.427 6.785 1.00 96.15 O +ATOM 1671 CB THR A 209 -4.242 2.091 3.650 1.00 96.25 C +ATOM 1672 OG1 THR A 209 -4.300 1.268 2.515 1.00 95.77 O +ATOM 1673 CG2 THR A 209 -3.002 1.691 4.441 1.00 95.62 C +ATOM 1674 N LEU A 210 -5.786 4.153 5.494 1.00 96.75 N +ATOM 1675 CA LEU A 210 -5.871 5.127 6.575 1.00 96.66 C +ATOM 1676 C LEU A 210 -6.956 4.731 7.586 1.00 96.70 C +ATOM 1677 O LEU A 210 -6.711 4.782 8.791 1.00 96.58 O +ATOM 1678 CB LEU A 210 -6.100 6.516 5.971 1.00 96.55 C +ATOM 1679 CG LEU A 210 -6.137 7.668 7.001 1.00 95.95 C +ATOM 1680 CD1 LEU A 210 -6.345 8.994 6.264 1.00 95.43 C +ATOM 1681 CD2 LEU A 210 -4.843 7.778 7.801 1.00 94.96 C +ATOM 1682 N TYR A 211 -8.096 4.242 7.105 1.00 96.08 N +ATOM 1683 CA TYR A 211 -9.121 3.654 7.969 1.00 96.08 C +ATOM 1684 C TYR A 211 -8.580 2.471 8.773 1.00 96.02 C +ATOM 1685 O TYR A 211 -8.780 2.417 9.988 1.00 95.78 O +ATOM 1686 CB TYR A 211 -10.334 3.258 7.120 1.00 96.08 C +ATOM 1687 CG TYR A 211 -11.344 2.411 7.853 1.00 96.11 C +ATOM 1688 CD1 TYR A 211 -12.399 3.008 8.557 1.00 95.76 C +ATOM 1689 CD2 TYR A 211 -11.201 1.014 7.876 1.00 95.73 C +ATOM 1690 CE1 TYR A 211 -13.299 2.221 9.291 1.00 95.39 C +ATOM 1691 CE2 TYR A 211 -12.089 0.217 8.610 1.00 95.34 C +ATOM 1692 CZ TYR A 211 -13.137 0.829 9.323 1.00 95.31 C +ATOM 1693 OH TYR A 211 -14.014 0.059 10.069 1.00 94.82 O +ATOM 1694 N GLU A 212 -7.854 1.562 8.144 1.00 96.22 N +ATOM 1695 CA GLU A 212 -7.213 0.449 8.852 1.00 96.20 C +ATOM 1696 C GLU A 212 -6.258 0.925 9.958 1.00 96.21 C +ATOM 1697 O GLU A 212 -6.318 0.406 11.075 1.00 95.95 O +ATOM 1698 CB GLU A 212 -6.428 -0.445 7.871 1.00 95.97 C +ATOM 1699 CG GLU A 212 -7.313 -1.230 6.903 1.00 95.13 C +ATOM 1700 CD GLU A 212 -6.444 -2.115 6.004 1.00 94.80 C +ATOM 1701 OE1 GLU A 212 -6.279 -3.296 6.327 1.00 87.76 O +ATOM 1702 OE2 GLU A 212 -5.908 -1.625 5.007 1.00 87.23 O +ATOM 1703 N LEU A 213 -5.452 1.941 9.690 1.00 96.42 N +ATOM 1704 CA LEU A 213 -4.551 2.512 10.695 1.00 96.25 C +ATOM 1705 C LEU A 213 -5.330 3.058 11.892 1.00 96.30 C +ATOM 1706 O LEU A 213 -5.022 2.736 13.038 1.00 96.01 O +ATOM 1707 CB LEU A 213 -3.669 3.619 10.085 1.00 96.00 C +ATOM 1708 CG LEU A 213 -2.766 3.211 8.917 1.00 95.05 C +ATOM 1709 CD1 LEU A 213 -1.829 4.367 8.560 1.00 94.31 C +ATOM 1710 CD2 LEU A 213 -1.928 1.986 9.209 1.00 93.59 C +ATOM 1711 N LEU A 214 -6.365 3.832 11.636 1.00 96.14 N +ATOM 1712 CA LEU A 214 -7.160 4.481 12.683 1.00 96.03 C +ATOM 1713 C LEU A 214 -8.057 3.506 13.461 1.00 96.06 C +ATOM 1714 O LEU A 214 -8.506 3.842 14.546 1.00 95.62 O +ATOM 1715 CB LEU A 214 -7.959 5.628 12.070 1.00 95.63 C +ATOM 1716 CG LEU A 214 -7.231 7.000 12.000 1.00 94.21 C +ATOM 1717 CD1 LEU A 214 -5.930 6.945 11.210 1.00 93.06 C +ATOM 1718 CD2 LEU A 214 -6.945 7.555 13.382 1.00 91.66 C +ATOM 1719 N THR A 215 -8.267 2.308 12.941 1.00 95.55 N +ATOM 1720 CA THR A 215 -8.886 1.187 13.668 1.00 95.42 C +ATOM 1721 C THR A 215 -7.856 0.269 14.322 1.00 95.39 C +ATOM 1722 O THR A 215 -8.232 -0.759 14.872 1.00 95.11 O +ATOM 1723 CB THR A 215 -9.826 0.379 12.766 1.00 95.27 C +ATOM 1724 OG1 THR A 215 -9.132 -0.127 11.641 1.00 94.97 O +ATOM 1725 CG2 THR A 215 -11.017 1.208 12.290 1.00 94.91 C +ATOM 1726 N HIS A 216 -6.591 0.611 14.262 1.00 95.82 N +ATOM 1727 CA HIS A 216 -5.475 -0.239 14.699 1.00 95.63 C +ATOM 1728 C HIS A 216 -5.489 -1.641 14.065 1.00 95.67 C +ATOM 1729 O HIS A 216 -5.063 -2.606 14.683 1.00 95.19 O +ATOM 1730 CB HIS A 216 -5.405 -0.278 16.232 1.00 95.11 C +ATOM 1731 CG HIS A 216 -5.067 1.048 16.850 1.00 93.77 C +ATOM 1732 ND1 HIS A 216 -3.799 1.431 17.240 1.00 89.42 N1+ +ATOM 1733 CD2 HIS A 216 -5.915 2.070 17.157 1.00 86.18 C +ATOM 1734 CE1 HIS A 216 -3.878 2.659 17.781 1.00 86.36 C +ATOM 1735 NE2 HIS A 216 -5.157 3.089 17.730 1.00 88.48 N +ATOM 1736 N CYS A 217 -5.975 -1.756 12.853 1.00 95.31 N +ATOM 1737 CA CYS A 217 -6.195 -3.031 12.161 1.00 95.14 C +ATOM 1738 C CYS A 217 -7.001 -4.057 12.968 1.00 94.99 C +ATOM 1739 O CYS A 217 -6.782 -5.264 12.834 1.00 94.41 O +ATOM 1740 CB CYS A 217 -4.869 -3.589 11.634 1.00 94.80 C +ATOM 1741 SG CYS A 217 -4.082 -2.490 10.446 1.00 94.14 S +ATOM 1742 N ASP A 218 -7.927 -3.596 13.784 1.00 94.90 N +ATOM 1743 CA ASP A 218 -8.857 -4.478 14.488 1.00 94.79 C +ATOM 1744 C ASP A 218 -9.680 -5.284 13.482 1.00 94.91 C +ATOM 1745 O ASP A 218 -10.399 -4.727 12.646 1.00 94.40 O +ATOM 1746 CB ASP A 218 -9.741 -3.651 15.414 1.00 94.24 C +ATOM 1747 CG ASP A 218 -10.784 -4.465 16.183 1.00 92.71 C +ATOM 1748 OD1 ASP A 218 -10.922 -5.691 15.961 1.00 89.34 O +ATOM 1749 OD2 ASP A 218 -11.529 -3.839 16.966 1.00 87.39 O +ATOM 1750 N SER A 219 -9.576 -6.592 13.553 1.00 93.73 N +ATOM 1751 CA SER A 219 -10.252 -7.510 12.633 1.00 93.72 C +ATOM 1752 C SER A 219 -11.773 -7.368 12.652 1.00 93.96 C +ATOM 1753 O SER A 219 -12.407 -7.533 11.602 1.00 92.85 O +ATOM 1754 CB SER A 219 -9.839 -8.943 12.946 1.00 92.58 C +ATOM 1755 OG SER A 219 -10.215 -9.318 14.258 1.00 88.68 O +ATOM 1756 N SER A 220 -12.353 -7.002 13.792 1.00 94.43 N +ATOM 1757 CA SER A 220 -13.800 -6.752 13.902 1.00 94.25 C +ATOM 1758 C SER A 220 -14.241 -5.490 13.171 1.00 94.41 C +ATOM 1759 O SER A 220 -15.410 -5.352 12.812 1.00 93.74 O +ATOM 1760 CB SER A 220 -14.208 -6.676 15.377 1.00 93.49 C +ATOM 1761 OG SER A 220 -13.769 -5.494 16.004 1.00 90.59 O +ATOM 1762 N GLN A 221 -13.311 -4.587 12.895 1.00 94.11 N +ATOM 1763 CA GLN A 221 -13.561 -3.332 12.210 1.00 94.23 C +ATOM 1764 C GLN A 221 -12.920 -3.289 10.818 1.00 94.59 C +ATOM 1765 O GLN A 221 -12.967 -2.261 10.159 1.00 93.79 O +ATOM 1766 CB GLN A 221 -13.055 -2.173 13.073 1.00 93.39 C +ATOM 1767 CG GLN A 221 -13.770 -2.090 14.418 1.00 90.00 C +ATOM 1768 CD GLN A 221 -13.356 -0.848 15.205 1.00 87.90 C +ATOM 1769 OE1 GLN A 221 -13.574 0.270 14.761 1.00 80.76 O +ATOM 1770 NE2 GLN A 221 -12.738 -1.008 16.334 1.00 77.62 N +ATOM 1771 N SER A 222 -12.340 -4.378 10.355 1.00 94.77 N +ATOM 1772 CA SER A 222 -11.655 -4.425 9.063 1.00 94.79 C +ATOM 1773 C SER A 222 -12.594 -4.062 7.907 1.00 94.95 C +ATOM 1774 O SER A 222 -13.808 -4.291 8.009 1.00 94.59 O +ATOM 1775 CB SER A 222 -11.044 -5.809 8.837 1.00 94.28 C +ATOM 1776 OG SER A 222 -12.045 -6.782 8.596 1.00 92.72 O +ATOM 1777 N PRO A 223 -12.080 -3.547 6.793 1.00 95.03 N +ATOM 1778 CA PRO A 223 -12.899 -3.225 5.630 1.00 95.13 C +ATOM 1779 C PRO A 223 -13.782 -4.387 5.154 1.00 95.24 C +ATOM 1780 O PRO A 223 -14.983 -4.179 4.986 1.00 95.06 O +ATOM 1781 CB PRO A 223 -11.922 -2.727 4.555 1.00 94.99 C +ATOM 1782 CG PRO A 223 -10.768 -2.184 5.381 1.00 94.57 C +ATOM 1783 CD PRO A 223 -10.717 -3.106 6.592 1.00 95.30 C +ATOM 1784 N PRO A 224 -13.279 -5.629 5.018 1.00 94.26 N +ATOM 1785 CA PRO A 224 -14.137 -6.766 4.677 1.00 94.11 C +ATOM 1786 C PRO A 224 -15.285 -6.985 5.675 1.00 94.17 C +ATOM 1787 O PRO A 224 -16.425 -7.158 5.268 1.00 93.82 O +ATOM 1788 CB PRO A 224 -13.219 -7.992 4.630 1.00 93.72 C +ATOM 1789 CG PRO A 224 -11.853 -7.413 4.336 1.00 93.03 C +ATOM 1790 CD PRO A 224 -11.880 -6.072 5.062 1.00 94.01 C +ATOM 1791 N THR A 225 -14.985 -6.932 6.967 1.00 94.75 N +ATOM 1792 CA THR A 225 -15.989 -7.124 8.015 1.00 94.50 C +ATOM 1793 C THR A 225 -17.079 -6.067 7.926 1.00 94.74 C +ATOM 1794 O THR A 225 -18.245 -6.410 7.842 1.00 94.31 O +ATOM 1795 CB THR A 225 -15.352 -7.119 9.409 1.00 93.92 C +ATOM 1796 OG1 THR A 225 -14.396 -8.148 9.491 1.00 90.88 O +ATOM 1797 CG2 THR A 225 -16.346 -7.349 10.536 1.00 89.70 C +ATOM 1798 N LYS A 226 -16.704 -4.805 7.852 1.00 94.14 N +ATOM 1799 CA LYS A 226 -17.656 -3.700 7.804 1.00 94.05 C +ATOM 1800 C LYS A 226 -18.482 -3.676 6.526 1.00 94.21 C +ATOM 1801 O LYS A 226 -19.668 -3.453 6.580 1.00 93.63 O +ATOM 1802 CB LYS A 226 -16.920 -2.368 7.997 1.00 93.46 C +ATOM 1803 CG LYS A 226 -16.434 -2.176 9.450 1.00 90.92 C +ATOM 1804 CD LYS A 226 -17.620 -2.108 10.428 1.00 88.60 C +ATOM 1805 CE LYS A 226 -17.172 -2.104 11.872 1.00 85.23 C +ATOM 1806 NZ LYS A 226 -18.247 -2.672 12.738 1.00 80.89 N1+ +ATOM 1807 N PHE A 227 -17.878 -3.931 5.377 1.00 93.90 N +ATOM 1808 CA PHE A 227 -18.635 -3.995 4.145 1.00 93.98 C +ATOM 1809 C PHE A 227 -19.568 -5.204 4.093 1.00 93.94 C +ATOM 1810 O PHE A 227 -20.695 -5.049 3.665 1.00 93.79 O +ATOM 1811 CB PHE A 227 -17.682 -3.986 2.949 1.00 94.08 C +ATOM 1812 CG PHE A 227 -17.099 -2.621 2.612 1.00 94.42 C +ATOM 1813 CD1 PHE A 227 -17.974 -1.529 2.387 1.00 93.98 C +ATOM 1814 CD2 PHE A 227 -15.725 -2.438 2.471 1.00 94.05 C +ATOM 1815 CE1 PHE A 227 -17.447 -0.277 2.014 1.00 93.61 C +ATOM 1816 CE2 PHE A 227 -15.194 -1.191 2.089 1.00 93.61 C +ATOM 1817 CZ PHE A 227 -16.063 -0.108 1.861 1.00 93.65 C +ATOM 1818 N LEU A 228 -19.158 -6.364 4.587 1.00 93.34 N +ATOM 1819 CA LEU A 228 -20.040 -7.534 4.640 1.00 93.36 C +ATOM 1820 C LEU A 228 -21.196 -7.346 5.615 1.00 93.27 C +ATOM 1821 O LEU A 228 -22.299 -7.801 5.308 1.00 92.82 O +ATOM 1822 CB LEU A 228 -19.219 -8.788 4.978 1.00 93.17 C +ATOM 1823 CG LEU A 228 -18.308 -9.278 3.847 1.00 92.23 C +ATOM 1824 CD1 LEU A 228 -17.415 -10.409 4.366 1.00 91.18 C +ATOM 1825 CD2 LEU A 228 -19.094 -9.832 2.645 1.00 90.46 C +ATOM 1826 N GLU A 229 -21.026 -6.625 6.702 1.00 92.99 N +ATOM 1827 CA GLU A 229 -22.123 -6.222 7.572 1.00 92.73 C +ATOM 1828 C GLU A 229 -23.167 -5.369 6.815 1.00 92.77 C +ATOM 1829 O GLU A 229 -24.361 -5.537 7.039 1.00 91.81 O +ATOM 1830 CB GLU A 229 -21.594 -5.433 8.784 1.00 91.94 C +ATOM 1831 CG GLU A 229 -20.911 -6.312 9.863 1.00 88.32 C +ATOM 1832 CD GLU A 229 -20.148 -5.501 10.943 1.00 87.08 C +ATOM 1833 OE1 GLU A 229 -19.385 -6.105 11.706 1.00 79.79 O +ATOM 1834 OE2 GLU A 229 -20.300 -4.254 11.027 1.00 76.43 O +ATOM 1835 N LEU A 230 -22.721 -4.500 5.943 1.00 90.61 N +ATOM 1836 CA LEU A 230 -23.585 -3.601 5.181 1.00 90.44 C +ATOM 1837 C LEU A 230 -24.274 -4.272 3.985 1.00 90.59 C +ATOM 1838 O LEU A 230 -25.417 -3.926 3.668 1.00 89.46 O +ATOM 1839 CB LEU A 230 -22.742 -2.405 4.688 1.00 89.48 C +ATOM 1840 CG LEU A 230 -22.273 -1.454 5.799 1.00 86.58 C +ATOM 1841 CD1 LEU A 230 -21.273 -0.437 5.209 1.00 84.86 C +ATOM 1842 CD2 LEU A 230 -23.419 -0.690 6.425 1.00 84.43 C +ATOM 1843 N ILE A 231 -23.619 -5.211 3.313 1.00 90.26 N +ATOM 1844 CA ILE A 231 -24.169 -5.867 2.109 1.00 89.89 C +ATOM 1845 C ILE A 231 -24.825 -7.213 2.403 1.00 89.53 C +ATOM 1846 O ILE A 231 -25.515 -7.783 1.538 1.00 87.55 O +ATOM 1847 CB ILE A 231 -23.127 -5.966 0.989 1.00 89.12 C +ATOM 1848 CG1 ILE A 231 -22.023 -6.994 1.305 1.00 88.05 C +ATOM 1849 CG2 ILE A 231 -22.567 -4.574 0.661 1.00 87.50 C +ATOM 1850 CD1 ILE A 231 -20.935 -7.132 0.212 1.00 83.10 C +ATOM 1851 N GLY A 232 -24.608 -7.753 3.592 1.00 83.75 N +ATOM 1852 CA GLY A 232 -24.973 -9.116 3.954 1.00 83.17 C +ATOM 1853 C GLY A 232 -24.011 -10.156 3.403 1.00 83.79 C +ATOM 1854 O GLY A 232 -23.156 -9.879 2.551 1.00 81.28 O +ATOM 1855 N ILE A 233 -24.153 -11.381 3.863 1.00 77.48 N +ATOM 1856 CA ILE A 233 -23.309 -12.493 3.434 1.00 76.74 C +ATOM 1857 C ILE A 233 -23.480 -12.728 1.934 1.00 77.43 C +ATOM 1858 O ILE A 233 -24.589 -13.043 1.466 1.00 73.84 O +ATOM 1859 CB ILE A 233 -23.576 -13.784 4.242 1.00 72.87 C +ATOM 1860 CG1 ILE A 233 -23.339 -13.521 5.747 1.00 70.41 C +ATOM 1861 CG2 ILE A 233 -22.683 -14.924 3.727 1.00 69.13 C +ATOM 1862 CD1 ILE A 233 -23.710 -14.703 6.655 1.00 64.95 C +ATOM 1863 N ALA A 234 -22.420 -12.600 1.203 1.00 72.08 N +ATOM 1864 CA ALA A 234 -22.370 -12.837 -0.235 1.00 70.38 C +ATOM 1865 C ALA A 234 -21.040 -13.487 -0.603 1.00 71.77 C +ATOM 1866 O ALA A 234 -20.057 -13.401 0.131 1.00 67.88 O +ATOM 1867 CB ALA A 234 -22.590 -11.515 -0.951 1.00 64.83 C +ATOM 1868 N GLN A 235 -20.997 -14.136 -1.741 1.00 69.24 N +ATOM 1869 CA GLN A 235 -19.800 -14.815 -2.243 1.00 69.27 C +ATOM 1870 C GLN A 235 -19.537 -14.401 -3.696 1.00 69.86 C +ATOM 1871 O GLN A 235 -20.463 -14.127 -4.455 1.00 65.32 O +ATOM 1872 CB GLN A 235 -20.019 -16.341 -2.144 1.00 64.15 C +ATOM 1873 CG GLN A 235 -20.030 -16.847 -0.677 1.00 59.27 C +ATOM 1874 CD GLN A 235 -18.649 -16.877 -0.022 1.00 54.61 C +ATOM 1875 OE1 GLN A 235 -17.637 -16.986 -0.660 1.00 46.04 O +ATOM 1876 NE2 GLN A 235 -18.618 -16.805 1.285 1.00 46.95 N +ATOM 1877 N GLY A 236 -18.252 -14.383 -4.062 1.00 74.04 N +ATOM 1878 CA GLY A 236 -17.813 -14.187 -5.448 1.00 74.52 C +ATOM 1879 C GLY A 236 -18.359 -12.906 -6.084 1.00 77.04 C +ATOM 1880 O GLY A 236 -18.320 -11.837 -5.491 1.00 73.93 O +ATOM 1881 N GLN A 237 -18.908 -13.031 -7.284 1.00 82.66 N +ATOM 1882 CA GLN A 237 -19.440 -11.906 -8.058 1.00 83.34 C +ATOM 1883 C GLN A 237 -20.558 -11.160 -7.353 1.00 84.67 C +ATOM 1884 O GLN A 237 -20.692 -9.954 -7.510 1.00 82.13 O +ATOM 1885 CB GLN A 237 -19.910 -12.379 -9.429 1.00 79.28 C +ATOM 1886 CG GLN A 237 -18.747 -12.802 -10.328 1.00 72.01 C +ATOM 1887 CD GLN A 237 -19.243 -13.159 -11.741 1.00 67.85 C +ATOM 1888 OE1 GLN A 237 -20.415 -13.305 -11.989 1.00 58.63 O +ATOM 1889 NE2 GLN A 237 -18.335 -13.293 -12.670 1.00 56.97 N +ATOM 1890 N MET A 238 -21.355 -11.842 -6.536 1.00 88.10 N +ATOM 1891 CA MET A 238 -22.432 -11.202 -5.800 1.00 89.00 C +ATOM 1892 C MET A 238 -21.925 -10.224 -4.754 1.00 89.86 C +ATOM 1893 O MET A 238 -22.556 -9.193 -4.539 1.00 88.36 O +ATOM 1894 CB MET A 238 -23.302 -12.272 -5.152 1.00 87.33 C +ATOM 1895 CG MET A 238 -24.661 -11.711 -4.720 1.00 81.16 C +ATOM 1896 SD MET A 238 -25.683 -11.163 -6.132 1.00 77.89 S +ATOM 1897 CE MET A 238 -27.174 -10.682 -5.232 1.00 69.00 C +ATOM 1898 N THR A 239 -20.764 -10.484 -4.162 1.00 91.22 N +ATOM 1899 CA THR A 239 -20.100 -9.550 -3.256 1.00 91.66 C +ATOM 1900 C THR A 239 -19.693 -8.294 -3.991 1.00 92.07 C +ATOM 1901 O THR A 239 -19.974 -7.202 -3.521 1.00 91.48 O +ATOM 1902 CB THR A 239 -18.870 -10.189 -2.594 1.00 91.16 C +ATOM 1903 OG1 THR A 239 -19.274 -11.332 -1.907 1.00 90.03 O +ATOM 1904 CG2 THR A 239 -18.159 -9.279 -1.600 1.00 89.73 C +ATOM 1905 N VAL A 240 -19.078 -8.443 -5.156 1.00 93.11 N +ATOM 1906 CA VAL A 240 -18.644 -7.302 -5.973 1.00 93.13 C +ATOM 1907 C VAL A 240 -19.827 -6.459 -6.437 1.00 93.35 C +ATOM 1908 O VAL A 240 -19.776 -5.236 -6.329 1.00 92.95 O +ATOM 1909 CB VAL A 240 -17.818 -7.788 -7.183 1.00 92.58 C +ATOM 1910 CG1 VAL A 240 -16.567 -8.516 -6.717 1.00 90.92 C +ATOM 1911 CG2 VAL A 240 -17.377 -6.618 -8.062 1.00 90.49 C +ATOM 1912 N LEU A 241 -20.900 -7.086 -6.875 1.00 93.01 N +ATOM 1913 CA LEU A 241 -22.122 -6.407 -7.302 1.00 93.02 C +ATOM 1914 C LEU A 241 -22.714 -5.572 -6.157 1.00 93.43 C +ATOM 1915 O LEU A 241 -22.899 -4.369 -6.312 1.00 92.69 O +ATOM 1916 CB LEU A 241 -23.124 -7.440 -7.810 1.00 91.96 C +ATOM 1917 CG LEU A 241 -24.421 -6.823 -8.385 1.00 85.69 C +ATOM 1918 CD1 LEU A 241 -25.466 -7.919 -8.591 1.00 82.14 C +ATOM 1919 CD2 LEU A 241 -24.170 -6.143 -9.722 1.00 79.02 C +ATOM 1920 N ARG A 242 -22.943 -6.168 -5.023 1.00 92.38 N +ATOM 1921 CA ARG A 242 -23.515 -5.487 -3.853 1.00 92.32 C +ATOM 1922 C ARG A 242 -22.591 -4.402 -3.301 1.00 92.94 C +ATOM 1923 O ARG A 242 -23.086 -3.353 -2.888 1.00 92.66 O +ATOM 1924 CB ARG A 242 -23.804 -6.482 -2.745 1.00 91.63 C +ATOM 1925 CG ARG A 242 -24.982 -7.375 -3.073 1.00 87.50 C +ATOM 1926 CD ARG A 242 -25.215 -8.317 -1.900 1.00 85.30 C +ATOM 1927 NE ARG A 242 -26.307 -9.249 -2.111 1.00 79.73 N +ATOM 1928 CZ ARG A 242 -26.793 -10.061 -1.209 1.00 74.98 C +ATOM 1929 NH1 ARG A 242 -26.341 -10.069 0.023 1.00 71.12 N +ATOM 1930 NH2 ARG A 242 -27.750 -10.879 -1.519 1.00 70.77 N1+ +ATOM 1931 N LEU A 243 -21.311 -4.619 -3.305 1.00 94.35 N +ATOM 1932 CA LEU A 243 -20.327 -3.608 -2.914 1.00 94.30 C +ATOM 1933 C LEU A 243 -20.373 -2.416 -3.867 1.00 94.27 C +ATOM 1934 O LEU A 243 -20.403 -1.279 -3.406 1.00 94.19 O +ATOM 1935 CB LEU A 243 -18.931 -4.261 -2.864 1.00 94.36 C +ATOM 1936 CG LEU A 243 -17.800 -3.301 -2.492 1.00 94.01 C +ATOM 1937 CD1 LEU A 243 -16.466 -4.063 -2.495 1.00 93.51 C +ATOM 1938 CD2 LEU A 243 -17.981 -2.677 -1.109 1.00 93.27 C +ATOM 1939 N THR A 244 -20.435 -2.657 -5.164 1.00 94.18 N +ATOM 1940 CA THR A 244 -20.557 -1.591 -6.164 1.00 94.15 C +ATOM 1941 C THR A 244 -21.829 -0.781 -5.953 1.00 94.11 C +ATOM 1942 O THR A 244 -21.756 0.444 -5.844 1.00 93.61 O +ATOM 1943 CB THR A 244 -20.534 -2.174 -7.589 1.00 93.83 C +ATOM 1944 OG1 THR A 244 -19.359 -2.923 -7.783 1.00 92.70 O +ATOM 1945 CG2 THR A 244 -20.559 -1.090 -8.656 1.00 92.08 C +ATOM 1946 N GLU A 245 -22.961 -1.427 -5.769 1.00 94.32 N +ATOM 1947 CA GLU A 245 -24.247 -0.771 -5.504 1.00 93.96 C +ATOM 1948 C GLU A 245 -24.213 0.054 -4.207 1.00 93.93 C +ATOM 1949 O GLU A 245 -24.785 1.156 -4.137 1.00 93.08 O +ATOM 1950 CB GLU A 245 -25.361 -1.823 -5.386 1.00 93.13 C +ATOM 1951 CG GLU A 245 -25.737 -2.473 -6.701 1.00 87.90 C +ATOM 1952 CD GLU A 245 -26.682 -3.671 -6.520 1.00 85.31 C +ATOM 1953 OE1 GLU A 245 -26.958 -4.334 -7.547 1.00 76.63 O +ATOM 1954 OE2 GLU A 245 -27.118 -3.941 -5.383 1.00 75.00 O +ATOM 1955 N LEU A 246 -23.564 -0.454 -3.177 1.00 94.49 N +ATOM 1956 CA LEU A 246 -23.401 0.246 -1.897 1.00 94.40 C +ATOM 1957 C LEU A 246 -22.577 1.524 -2.068 1.00 94.49 C +ATOM 1958 O LEU A 246 -22.977 2.588 -1.582 1.00 93.87 O +ATOM 1959 CB LEU A 246 -22.795 -0.745 -0.892 1.00 93.72 C +ATOM 1960 CG LEU A 246 -22.568 -0.160 0.511 1.00 91.14 C +ATOM 1961 CD1 LEU A 246 -21.152 0.338 0.724 1.00 89.03 C +ATOM 1962 CD2 LEU A 246 -22.824 -1.250 1.554 1.00 87.43 C +ATOM 1963 N LEU A 247 -21.460 1.435 -2.773 1.00 94.61 N +ATOM 1964 CA LEU A 247 -20.607 2.585 -3.038 1.00 94.59 C +ATOM 1965 C LEU A 247 -21.287 3.616 -3.949 1.00 94.35 C +ATOM 1966 O LEU A 247 -21.136 4.805 -3.679 1.00 94.01 O +ATOM 1967 CB LEU A 247 -19.278 2.106 -3.648 1.00 94.79 C +ATOM 1968 CG LEU A 247 -18.382 1.274 -2.703 1.00 94.93 C +ATOM 1969 CD1 LEU A 247 -17.123 0.833 -3.452 1.00 94.53 C +ATOM 1970 CD2 LEU A 247 -17.959 2.019 -1.437 1.00 94.47 C +ATOM 1971 N GLU A 248 -22.057 3.189 -4.925 1.00 94.34 N +ATOM 1972 CA GLU A 248 -22.851 4.075 -5.808 1.00 94.04 C +ATOM 1973 C GLU A 248 -23.961 4.814 -5.060 1.00 93.80 C +ATOM 1974 O GLU A 248 -24.252 5.964 -5.386 1.00 92.46 O +ATOM 1975 CB GLU A 248 -23.439 3.275 -6.984 1.00 93.11 C +ATOM 1976 CG GLU A 248 -22.366 2.937 -8.015 1.00 88.23 C +ATOM 1977 CD GLU A 248 -22.888 2.199 -9.252 1.00 85.37 C +ATOM 1978 OE1 GLU A 248 -22.121 2.148 -10.242 1.00 73.91 O +ATOM 1979 OE2 GLU A 248 -24.016 1.696 -9.260 1.00 71.96 O +ATOM 1980 N ARG A 249 -24.525 4.253 -4.019 1.00 94.74 N +ATOM 1981 CA ARG A 249 -25.426 4.962 -3.097 1.00 94.26 C +ATOM 1982 C ARG A 249 -24.733 5.958 -2.177 1.00 94.17 C +ATOM 1983 O ARG A 249 -25.409 6.643 -1.405 1.00 93.23 O +ATOM 1984 CB ARG A 249 -26.234 3.951 -2.267 1.00 93.46 C +ATOM 1985 CG ARG A 249 -27.254 3.167 -3.117 1.00 89.74 C +ATOM 1986 CD ARG A 249 -28.175 2.318 -2.235 1.00 87.16 C +ATOM 1987 NE ARG A 249 -27.489 1.425 -1.297 1.00 83.16 N +ATOM 1988 CZ ARG A 249 -27.157 0.163 -1.464 1.00 80.34 C +ATOM 1989 NH1 ARG A 249 -27.412 -0.449 -2.592 1.00 76.21 N +ATOM 1990 NH2 ARG A 249 -26.607 -0.511 -0.519 1.00 76.68 N1+ +ATOM 1991 N GLY A 250 -23.423 6.060 -2.229 1.00 94.33 N +ATOM 1992 CA GLY A 250 -22.639 6.977 -1.400 1.00 94.23 C +ATOM 1993 C GLY A 250 -22.298 6.444 0.001 1.00 94.51 C +ATOM 1994 O GLY A 250 -21.761 7.198 0.799 1.00 93.95 O +ATOM 1995 N GLU A 251 -22.613 5.197 0.286 1.00 94.69 N +ATOM 1996 CA GLU A 251 -22.214 4.572 1.556 1.00 94.60 C +ATOM 1997 C GLU A 251 -20.693 4.357 1.602 1.00 94.89 C +ATOM 1998 O GLU A 251 -20.051 4.077 0.597 1.00 94.39 O +ATOM 1999 CB GLU A 251 -22.969 3.265 1.789 1.00 93.90 C +ATOM 2000 CG GLU A 251 -24.474 3.508 2.000 1.00 90.73 C +ATOM 2001 CD GLU A 251 -25.214 2.212 2.347 1.00 88.56 C +ATOM 2002 OE1 GLU A 251 -26.168 1.847 1.625 1.00 78.65 O +ATOM 2003 OE2 GLU A 251 -24.848 1.564 3.342 1.00 76.02 O +ATOM 2004 N ARG A 252 -20.117 4.516 2.776 1.00 93.93 N +ATOM 2005 CA ARG A 252 -18.680 4.403 3.018 1.00 94.04 C +ATOM 2006 C ARG A 252 -18.414 3.707 4.345 1.00 93.99 C +ATOM 2007 O ARG A 252 -19.324 3.552 5.169 1.00 93.57 O +ATOM 2008 CB ARG A 252 -18.062 5.818 3.047 1.00 94.05 C +ATOM 2009 CG ARG A 252 -18.143 6.581 1.710 1.00 94.11 C +ATOM 2010 CD ARG A 252 -17.406 5.874 0.580 1.00 93.97 C +ATOM 2011 NE ARG A 252 -17.428 6.651 -0.669 1.00 93.70 N +ATOM 2012 CZ ARG A 252 -18.295 6.531 -1.672 1.00 93.56 C +ATOM 2013 NH1 ARG A 252 -19.309 5.700 -1.614 1.00 93.11 N +ATOM 2014 NH2 ARG A 252 -18.180 7.276 -2.724 1.00 93.12 N1+ +ATOM 2015 N LEU A 253 -17.167 3.322 4.563 1.00 94.91 N +ATOM 2016 CA LEU A 253 -16.703 2.858 5.873 1.00 94.95 C +ATOM 2017 C LEU A 253 -17.012 3.920 6.943 1.00 94.93 C +ATOM 2018 O LEU A 253 -16.879 5.119 6.684 1.00 94.64 O +ATOM 2019 CB LEU A 253 -15.197 2.554 5.823 1.00 94.92 C +ATOM 2020 CG LEU A 253 -14.825 1.310 5.001 1.00 94.69 C +ATOM 2021 CD1 LEU A 253 -13.314 1.238 4.841 1.00 94.27 C +ATOM 2022 CD2 LEU A 253 -15.268 0.016 5.699 1.00 94.13 C +ATOM 2023 N PRO A 254 -17.432 3.519 8.157 1.00 95.61 N +ATOM 2024 CA PRO A 254 -17.749 4.448 9.232 1.00 95.45 C +ATOM 2025 C PRO A 254 -16.503 5.148 9.763 1.00 95.58 C +ATOM 2026 O PRO A 254 -15.390 4.663 9.591 1.00 95.19 O +ATOM 2027 CB PRO A 254 -18.419 3.593 10.300 1.00 95.00 C +ATOM 2028 CG PRO A 254 -17.743 2.235 10.136 1.00 94.06 C +ATOM 2029 CD PRO A 254 -17.549 2.137 8.630 1.00 94.68 C +ATOM 2030 N ARG A 255 -16.694 6.252 10.453 1.00 95.13 N +ATOM 2031 CA ARG A 255 -15.615 6.906 11.192 1.00 95.01 C +ATOM 2032 C ARG A 255 -15.098 5.987 12.295 1.00 94.88 C +ATOM 2033 O ARG A 255 -15.894 5.585 13.134 1.00 94.49 O +ATOM 2034 CB ARG A 255 -16.125 8.245 11.729 1.00 94.66 C +ATOM 2035 CG ARG A 255 -15.046 8.990 12.522 1.00 93.43 C +ATOM 2036 CD ARG A 255 -15.565 10.342 12.956 1.00 92.09 C +ATOM 2037 NE ARG A 255 -14.641 10.982 13.898 1.00 89.98 N +ATOM 2038 CZ ARG A 255 -14.879 12.057 14.624 1.00 88.63 C +ATOM 2039 NH1 ARG A 255 -15.995 12.720 14.504 1.00 86.82 N +ATOM 2040 NH2 ARG A 255 -14.001 12.478 15.476 1.00 87.51 N1+ +ATOM 2041 N PRO A 256 -13.804 5.657 12.356 1.00 94.63 N +ATOM 2042 CA PRO A 256 -13.218 4.905 13.450 1.00 94.61 C +ATOM 2043 C PRO A 256 -13.343 5.634 14.776 1.00 94.65 C +ATOM 2044 O PRO A 256 -13.313 6.862 14.829 1.00 94.22 O +ATOM 2045 CB PRO A 256 -11.738 4.706 13.078 1.00 94.43 C +ATOM 2046 CG PRO A 256 -11.732 4.818 11.564 1.00 93.94 C +ATOM 2047 CD PRO A 256 -12.808 5.870 11.305 1.00 94.75 C +ATOM 2048 N ASP A 257 -13.420 4.879 15.856 1.00 92.99 N +ATOM 2049 CA ASP A 257 -13.347 5.461 17.203 1.00 92.63 C +ATOM 2050 C ASP A 257 -12.070 6.249 17.396 1.00 92.85 C +ATOM 2051 O ASP A 257 -10.984 5.834 16.943 1.00 91.79 O +ATOM 2052 CB ASP A 257 -13.438 4.356 18.264 1.00 91.14 C +ATOM 2053 CG ASP A 257 -14.847 3.904 18.581 1.00 84.37 C +ATOM 2054 OD1 ASP A 257 -15.800 4.581 18.147 1.00 77.44 O +ATOM 2055 OD2 ASP A 257 -14.951 2.922 19.356 1.00 76.46 O +ATOM 2056 N LYS A 258 -12.164 7.367 18.054 1.00 91.49 N +ATOM 2057 CA LYS A 258 -11.048 8.301 18.271 1.00 91.25 C +ATOM 2058 C LYS A 258 -10.418 8.906 17.002 1.00 91.80 C +ATOM 2059 O LYS A 258 -9.493 9.703 17.132 1.00 90.38 O +ATOM 2060 CB LYS A 258 -9.974 7.675 19.173 1.00 89.50 C +ATOM 2061 CG LYS A 258 -10.546 7.038 20.456 1.00 83.04 C +ATOM 2062 CD LYS A 258 -9.438 6.285 21.198 1.00 77.51 C +ATOM 2063 CE LYS A 258 -10.040 5.568 22.400 1.00 70.56 C +ATOM 2064 NZ LYS A 258 -9.023 4.732 23.102 1.00 63.42 N1+ +ATOM 2065 N CYS A 259 -10.886 8.576 15.819 1.00 94.42 N +ATOM 2066 CA CYS A 259 -10.454 9.269 14.615 1.00 94.55 C +ATOM 2067 C CYS A 259 -10.969 10.719 14.635 1.00 94.67 C +ATOM 2068 O CYS A 259 -12.189 10.930 14.715 1.00 94.26 O +ATOM 2069 CB CYS A 259 -10.985 8.516 13.399 1.00 94.25 C +ATOM 2070 SG CYS A 259 -10.509 9.334 11.865 1.00 93.49 S +ATOM 2071 N PRO A 260 -10.090 11.731 14.543 1.00 94.87 N +ATOM 2072 CA PRO A 260 -10.519 13.129 14.445 1.00 94.74 C +ATOM 2073 C PRO A 260 -11.411 13.346 13.226 1.00 94.92 C +ATOM 2074 O PRO A 260 -11.245 12.729 12.191 1.00 94.52 O +ATOM 2075 CB PRO A 260 -9.228 13.947 14.355 1.00 94.18 C +ATOM 2076 CG PRO A 260 -8.169 13.039 15.006 1.00 92.87 C +ATOM 2077 CD PRO A 260 -8.646 11.638 14.626 1.00 93.60 C +ATOM 2078 N ALA A 261 -12.317 14.270 13.336 1.00 95.32 N +ATOM 2079 CA ALA A 261 -13.257 14.566 12.258 1.00 95.23 C +ATOM 2080 C ALA A 261 -12.548 15.007 10.968 1.00 95.39 C +ATOM 2081 O ALA A 261 -12.957 14.596 9.891 1.00 95.04 O +ATOM 2082 CB ALA A 261 -14.246 15.635 12.750 1.00 94.73 C +ATOM 2083 N GLU A 262 -11.494 15.794 11.101 1.00 95.04 N +ATOM 2084 CA GLU A 262 -10.691 16.251 9.956 1.00 94.83 C +ATOM 2085 C GLU A 262 -9.995 15.086 9.253 1.00 95.20 C +ATOM 2086 O GLU A 262 -9.959 15.048 8.022 1.00 94.56 O +ATOM 2087 CB GLU A 262 -9.700 17.321 10.428 1.00 93.92 C +ATOM 2088 CG GLU A 262 -8.630 16.843 11.417 1.00 87.02 C +ATOM 2089 CD GLU A 262 -7.871 17.997 12.117 1.00 83.84 C +ATOM 2090 OE1 GLU A 262 -7.395 17.765 13.258 1.00 71.84 O +ATOM 2091 OE2 GLU A 262 -7.774 19.112 11.590 1.00 68.68 O +ATOM 2092 N VAL A 263 -9.513 14.094 9.979 1.00 95.69 N +ATOM 2093 CA VAL A 263 -8.883 12.890 9.401 1.00 95.77 C +ATOM 2094 C VAL A 263 -9.928 12.018 8.716 1.00 95.87 C +ATOM 2095 O VAL A 263 -9.677 11.519 7.623 1.00 95.75 O +ATOM 2096 CB VAL A 263 -8.113 12.098 10.466 1.00 95.62 C +ATOM 2097 CG1 VAL A 263 -7.034 12.949 11.137 1.00 95.16 C +ATOM 2098 CG2 VAL A 263 -7.437 10.873 9.865 1.00 95.13 C +ATOM 2099 N TYR A 264 -11.095 11.888 9.280 1.00 95.97 N +ATOM 2100 CA TYR A 264 -12.190 11.186 8.599 1.00 95.93 C +ATOM 2101 C TYR A 264 -12.654 11.908 7.345 1.00 95.87 C +ATOM 2102 O TYR A 264 -12.952 11.268 6.331 1.00 95.58 O +ATOM 2103 CB TYR A 264 -13.330 10.964 9.563 1.00 95.88 C +ATOM 2104 CG TYR A 264 -14.437 10.111 8.962 1.00 95.80 C +ATOM 2105 CD1 TYR A 264 -14.148 8.788 8.533 1.00 95.43 C +ATOM 2106 CD2 TYR A 264 -15.742 10.608 8.805 1.00 95.25 C +ATOM 2107 CE1 TYR A 264 -15.157 7.985 7.979 1.00 94.82 C +ATOM 2108 CE2 TYR A 264 -16.761 9.806 8.261 1.00 94.86 C +ATOM 2109 CZ TYR A 264 -16.464 8.501 7.843 1.00 94.91 C +ATOM 2110 OH TYR A 264 -17.470 7.713 7.315 1.00 94.43 O +ATOM 2111 N HIS A 265 -12.647 13.236 7.356 1.00 95.47 N +ATOM 2112 CA HIS A 265 -12.926 14.012 6.149 1.00 95.19 C +ATOM 2113 C HIS A 265 -11.906 13.761 5.051 1.00 95.44 C +ATOM 2114 O HIS A 265 -12.277 13.578 3.906 1.00 94.96 O +ATOM 2115 CB HIS A 265 -12.988 15.511 6.528 1.00 94.57 C +ATOM 2116 CG HIS A 265 -14.172 16.200 5.909 1.00 91.78 C +ATOM 2117 ND1 HIS A 265 -15.440 16.341 6.516 1.00 85.38 N1+ +ATOM 2118 CD2 HIS A 265 -14.219 16.816 4.690 1.00 82.51 C +ATOM 2119 CE1 HIS A 265 -16.215 17.019 5.674 1.00 79.81 C +ATOM 2120 NE2 HIS A 265 -15.514 17.328 4.557 1.00 80.57 N +ATOM 2121 N LEU A 266 -10.652 13.632 5.426 1.00 95.78 N +ATOM 2122 CA LEU A 266 -9.574 13.269 4.508 1.00 95.70 C +ATOM 2123 C LEU A 266 -9.784 11.872 3.911 1.00 95.98 C +ATOM 2124 O LEU A 266 -9.648 11.701 2.710 1.00 95.67 O +ATOM 2125 CB LEU A 266 -8.253 13.377 5.266 1.00 95.12 C +ATOM 2126 CG LEU A 266 -7.028 13.295 4.355 1.00 92.13 C +ATOM 2127 CD1 LEU A 266 -5.770 13.116 5.217 1.00 89.44 C +ATOM 2128 CD2 LEU A 266 -6.875 14.560 3.525 1.00 85.90 C +ATOM 2129 N MET A 267 -10.197 10.893 4.715 1.00 95.97 N +ATOM 2130 CA MET A 267 -10.584 9.573 4.185 1.00 95.83 C +ATOM 2131 C MET A 267 -11.715 9.680 3.161 1.00 95.84 C +ATOM 2132 O MET A 267 -11.626 9.096 2.089 1.00 95.45 O +ATOM 2133 CB MET A 267 -11.044 8.618 5.293 1.00 95.51 C +ATOM 2134 CG MET A 267 -9.993 8.284 6.341 1.00 93.75 C +ATOM 2135 SD MET A 267 -10.658 7.206 7.620 1.00 92.39 S +ATOM 2136 CE MET A 267 -9.385 7.385 8.873 1.00 88.63 C +ATOM 2137 N LYS A 268 -12.742 10.451 3.474 1.00 95.91 N +ATOM 2138 CA LYS A 268 -13.873 10.645 2.563 1.00 95.72 C +ATOM 2139 C LYS A 268 -13.484 11.322 1.260 1.00 95.85 C +ATOM 2140 O LYS A 268 -13.976 10.909 0.222 1.00 95.35 O +ATOM 2141 CB LYS A 268 -14.992 11.446 3.234 1.00 95.24 C +ATOM 2142 CG LYS A 268 -15.699 10.605 4.307 1.00 93.21 C +ATOM 2143 CD LYS A 268 -16.913 11.328 4.890 1.00 90.86 C +ATOM 2144 CE LYS A 268 -18.040 11.376 3.855 1.00 86.81 C +ATOM 2145 NZ LYS A 268 -19.278 11.990 4.424 1.00 81.93 N1+ +ATOM 2146 N ASN A 269 -12.549 12.257 1.286 1.00 96.03 N +ATOM 2147 CA ASN A 269 -12.013 12.868 0.074 1.00 95.89 C +ATOM 2148 C ASN A 269 -11.273 11.845 -0.792 1.00 96.08 C +ATOM 2149 O ASN A 269 -11.388 11.885 -2.017 1.00 95.78 O +ATOM 2150 CB ASN A 269 -11.091 14.033 0.453 1.00 95.51 C +ATOM 2151 CG ASN A 269 -11.795 15.203 1.112 1.00 93.95 C +ATOM 2152 OD1 ASN A 269 -13.003 15.308 1.127 1.00 90.22 O +ATOM 2153 ND2 ASN A 269 -11.044 16.119 1.679 1.00 85.54 N +ATOM 2154 N CYS A 270 -10.584 10.889 -0.173 1.00 96.08 N +ATOM 2155 CA CYS A 270 -9.985 9.767 -0.903 1.00 96.10 C +ATOM 2156 C CYS A 270 -11.032 8.803 -1.488 1.00 96.06 C +ATOM 2157 O CYS A 270 -10.710 8.024 -2.384 1.00 95.80 O +ATOM 2158 CB CYS A 270 -9.029 8.997 0.030 1.00 96.15 C +ATOM 2159 SG CYS A 270 -7.666 10.031 0.618 1.00 96.20 S +ATOM 2160 N TRP A 271 -12.264 8.846 -1.005 1.00 95.82 N +ATOM 2161 CA TRP A 271 -13.384 8.015 -1.438 1.00 95.79 C +ATOM 2162 C TRP A 271 -14.443 8.771 -2.245 1.00 95.61 C +ATOM 2163 O TRP A 271 -15.590 8.352 -2.302 1.00 95.23 O +ATOM 2164 CB TRP A 271 -14.016 7.334 -0.224 1.00 95.85 C +ATOM 2165 CG TRP A 271 -13.102 6.495 0.621 1.00 96.12 C +ATOM 2166 CD1 TRP A 271 -12.020 5.799 0.210 1.00 95.87 C +ATOM 2167 CD2 TRP A 271 -13.221 6.261 2.069 1.00 96.01 C +ATOM 2168 NE1 TRP A 271 -11.457 5.153 1.310 1.00 95.64 N +ATOM 2169 CE2 TRP A 271 -12.176 5.409 2.451 1.00 95.81 C +ATOM 2170 CE3 TRP A 271 -14.116 6.689 3.048 1.00 95.84 C +ATOM 2171 CZ2 TRP A 271 -12.017 4.969 3.795 1.00 95.61 C +ATOM 2172 CZ3 TRP A 271 -13.969 6.254 4.390 1.00 95.56 C +ATOM 2173 CH2 TRP A 271 -12.924 5.405 4.749 1.00 95.41 C +ATOM 2174 N GLU A 272 -14.057 9.854 -2.861 1.00 96.29 N +ATOM 2175 CA GLU A 272 -14.900 10.480 -3.853 1.00 96.10 C +ATOM 2176 C GLU A 272 -15.238 9.500 -4.996 1.00 96.11 C +ATOM 2177 O GLU A 272 -14.375 8.778 -5.485 1.00 95.57 O +ATOM 2178 CB GLU A 272 -14.228 11.740 -4.417 1.00 95.58 C +ATOM 2179 CG GLU A 272 -14.232 12.929 -3.443 1.00 93.47 C +ATOM 2180 CD GLU A 272 -15.636 13.480 -3.169 1.00 91.50 C +ATOM 2181 OE1 GLU A 272 -15.805 14.165 -2.144 1.00 79.84 O +ATOM 2182 OE2 GLU A 272 -16.548 13.229 -3.986 1.00 78.12 O +ATOM 2183 N THR A 273 -16.489 9.489 -5.391 1.00 95.01 N +ATOM 2184 CA THR A 273 -16.950 8.587 -6.454 1.00 94.90 C +ATOM 2185 C THR A 273 -16.275 8.896 -7.779 1.00 94.90 C +ATOM 2186 O THR A 273 -15.759 7.984 -8.429 1.00 94.34 O +ATOM 2187 CB THR A 273 -18.478 8.670 -6.611 1.00 94.35 C +ATOM 2188 OG1 THR A 273 -19.088 8.327 -5.403 1.00 92.45 O +ATOM 2189 CG2 THR A 273 -19.008 7.710 -7.674 1.00 91.37 C +ATOM 2190 N GLU A 274 -16.213 10.151 -8.138 1.00 94.89 N +ATOM 2191 CA GLU A 274 -15.456 10.628 -9.289 1.00 94.65 C +ATOM 2192 C GLU A 274 -13.971 10.627 -8.954 1.00 94.96 C +ATOM 2193 O GLU A 274 -13.505 11.327 -8.054 1.00 94.27 O +ATOM 2194 CB GLU A 274 -15.902 12.027 -9.699 1.00 93.54 C +ATOM 2195 CG GLU A 274 -17.107 11.996 -10.623 1.00 86.85 C +ATOM 2196 CD GLU A 274 -16.801 11.315 -11.963 1.00 82.64 C +ATOM 2197 OE1 GLU A 274 -17.725 10.699 -12.532 1.00 71.04 O +ATOM 2198 OE2 GLU A 274 -15.642 11.421 -12.423 1.00 68.64 O +ATOM 2199 N ALA A 275 -13.193 9.863 -9.717 1.00 95.09 N +ATOM 2200 CA ALA A 275 -11.763 9.726 -9.505 1.00 95.03 C +ATOM 2201 C ALA A 275 -11.010 11.076 -9.551 1.00 95.10 C +ATOM 2202 O ALA A 275 -10.097 11.289 -8.762 1.00 94.36 O +ATOM 2203 CB ALA A 275 -11.221 8.750 -10.552 1.00 94.47 C +ATOM 2204 N SER A 276 -11.447 11.975 -10.425 1.00 94.76 N +ATOM 2205 CA SER A 276 -10.877 13.311 -10.585 1.00 94.59 C +ATOM 2206 C SER A 276 -11.052 14.229 -9.368 1.00 94.95 C +ATOM 2207 O SER A 276 -10.312 15.200 -9.248 1.00 94.03 O +ATOM 2208 CB SER A 276 -11.520 13.979 -11.802 1.00 93.35 C +ATOM 2209 OG SER A 276 -12.930 14.003 -11.692 1.00 86.04 O +ATOM 2210 N PHE A 277 -11.967 13.936 -8.490 1.00 95.11 N +ATOM 2211 CA PHE A 277 -12.205 14.724 -7.274 1.00 95.01 C +ATOM 2212 C PHE A 277 -11.379 14.272 -6.091 1.00 95.17 C +ATOM 2213 O PHE A 277 -11.321 14.949 -5.062 1.00 94.71 O +ATOM 2214 CB PHE A 277 -13.698 14.725 -6.933 1.00 94.70 C +ATOM 2215 CG PHE A 277 -14.636 15.326 -7.964 1.00 94.12 C +ATOM 2216 CD1 PHE A 277 -14.164 16.132 -9.015 1.00 92.91 C +ATOM 2217 CD2 PHE A 277 -16.006 15.103 -7.835 1.00 92.13 C +ATOM 2218 CE1 PHE A 277 -15.044 16.669 -9.951 1.00 90.55 C +ATOM 2219 CE2 PHE A 277 -16.913 15.648 -8.772 1.00 91.00 C +ATOM 2220 CZ PHE A 277 -16.427 16.426 -9.822 1.00 91.08 C +ATOM 2221 N ARG A 278 -10.719 13.122 -6.181 1.00 95.68 N +ATOM 2222 CA ARG A 278 -9.831 12.628 -5.132 1.00 95.72 C +ATOM 2223 C ARG A 278 -8.531 13.449 -5.127 1.00 95.63 C +ATOM 2224 O ARG A 278 -8.039 13.832 -6.190 1.00 95.29 O +ATOM 2225 CB ARG A 278 -9.533 11.149 -5.314 1.00 95.73 C +ATOM 2226 CG ARG A 278 -10.819 10.302 -5.341 1.00 95.76 C +ATOM 2227 CD ARG A 278 -10.525 8.828 -5.624 1.00 95.51 C +ATOM 2228 NE ARG A 278 -11.731 8.159 -6.085 1.00 95.39 N +ATOM 2229 CZ ARG A 278 -11.823 7.143 -6.933 1.00 95.46 C +ATOM 2230 NH1 ARG A 278 -10.765 6.541 -7.378 1.00 94.81 N +ATOM 2231 NH2 ARG A 278 -12.973 6.746 -7.333 1.00 94.89 N1+ +ATOM 2232 N PRO A 279 -7.943 13.708 -3.954 1.00 95.98 N +ATOM 2233 CA PRO A 279 -6.635 14.347 -3.884 1.00 95.93 C +ATOM 2234 C PRO A 279 -5.569 13.437 -4.493 1.00 96.06 C +ATOM 2235 O PRO A 279 -5.720 12.217 -4.524 1.00 95.67 O +ATOM 2236 CB PRO A 279 -6.383 14.590 -2.391 1.00 95.63 C +ATOM 2237 CG PRO A 279 -7.193 13.481 -1.709 1.00 95.01 C +ATOM 2238 CD PRO A 279 -8.400 13.305 -2.623 1.00 95.68 C +ATOM 2239 N THR A 280 -4.475 13.990 -4.939 1.00 96.23 N +ATOM 2240 CA THR A 280 -3.275 13.200 -5.272 1.00 96.19 C +ATOM 2241 C THR A 280 -2.463 12.906 -4.016 1.00 96.28 C +ATOM 2242 O THR A 280 -2.640 13.545 -2.975 1.00 96.02 O +ATOM 2243 CB THR A 280 -2.404 13.925 -6.306 1.00 95.94 C +ATOM 2244 OG1 THR A 280 -1.813 15.064 -5.739 1.00 95.46 O +ATOM 2245 CG2 THR A 280 -3.183 14.342 -7.550 1.00 95.37 C +ATOM 2246 N PHE A 281 -1.527 11.979 -4.099 1.00 96.31 N +ATOM 2247 CA PHE A 281 -0.599 11.743 -2.990 1.00 96.33 C +ATOM 2248 C PHE A 281 0.260 12.961 -2.681 1.00 96.29 C +ATOM 2249 O PHE A 281 0.472 13.267 -1.509 1.00 96.05 O +ATOM 2250 CB PHE A 281 0.261 10.510 -3.283 1.00 96.36 C +ATOM 2251 CG PHE A 281 -0.500 9.204 -3.130 1.00 96.53 C +ATOM 2252 CD1 PHE A 281 -0.987 8.819 -1.870 1.00 96.27 C +ATOM 2253 CD2 PHE A 281 -0.729 8.371 -4.240 1.00 96.30 C +ATOM 2254 CE1 PHE A 281 -1.708 7.620 -1.714 1.00 96.05 C +ATOM 2255 CE2 PHE A 281 -1.443 7.159 -4.083 1.00 96.07 C +ATOM 2256 CZ PHE A 281 -1.935 6.796 -2.829 1.00 96.07 C +ATOM 2257 N GLU A 282 0.658 13.723 -3.695 1.00 96.38 N +ATOM 2258 CA GLU A 282 1.364 14.997 -3.494 1.00 96.13 C +ATOM 2259 C GLU A 282 0.526 16.013 -2.716 1.00 96.32 C +ATOM 2260 O GLU A 282 1.069 16.736 -1.866 1.00 95.68 O +ATOM 2261 CB GLU A 282 1.770 15.632 -4.832 1.00 95.32 C +ATOM 2262 CG GLU A 282 2.969 14.925 -5.484 1.00 88.25 C +ATOM 2263 CD GLU A 282 3.524 15.705 -6.684 1.00 84.46 C +ATOM 2264 OE1 GLU A 282 4.745 15.593 -6.929 1.00 70.97 O +ATOM 2265 OE2 GLU A 282 2.726 16.411 -7.362 1.00 68.87 O +ATOM 2266 N ASN A 283 -0.771 16.034 -2.929 1.00 95.95 N +ATOM 2267 CA ASN A 283 -1.652 16.909 -2.146 1.00 95.90 C +ATOM 2268 C ASN A 283 -1.834 16.427 -0.712 1.00 96.06 C +ATOM 2269 O ASN A 283 -1.988 17.211 0.200 1.00 95.66 O +ATOM 2270 CB ASN A 283 -3.026 17.016 -2.823 1.00 95.47 C +ATOM 2271 CG ASN A 283 -2.995 17.510 -4.255 1.00 93.87 C +ATOM 2272 OD1 ASN A 283 -3.677 16.967 -5.092 1.00 91.07 O +ATOM 2273 ND2 ASN A 283 -2.234 18.530 -4.577 1.00 87.75 N +ATOM 2274 N LEU A 284 -1.814 15.115 -0.504 1.00 96.14 N +ATOM 2275 CA LEU A 284 -2.018 14.489 0.800 1.00 96.18 C +ATOM 2276 C LEU A 284 -0.828 14.684 1.742 1.00 96.20 C +ATOM 2277 O LEU A 284 -1.036 14.879 2.940 1.00 95.95 O +ATOM 2278 CB LEU A 284 -2.317 12.997 0.607 1.00 96.22 C +ATOM 2279 CG LEU A 284 -3.711 12.703 0.032 1.00 96.06 C +ATOM 2280 CD1 LEU A 284 -3.801 11.228 -0.361 1.00 95.71 C +ATOM 2281 CD2 LEU A 284 -4.802 12.985 1.059 1.00 95.53 C +ATOM 2282 N ILE A 285 0.395 14.679 1.214 1.00 96.12 N +ATOM 2283 CA ILE A 285 1.627 14.823 2.013 1.00 96.13 C +ATOM 2284 C ILE A 285 1.600 16.060 2.913 1.00 96.13 C +ATOM 2285 O ILE A 285 1.705 15.916 4.138 1.00 95.92 O +ATOM 2286 CB ILE A 285 2.876 14.766 1.111 1.00 96.00 C +ATOM 2287 CG1 ILE A 285 3.079 13.351 0.532 1.00 95.64 C +ATOM 2288 CG2 ILE A 285 4.141 15.183 1.884 1.00 95.54 C +ATOM 2289 CD1 ILE A 285 3.969 13.358 -0.723 1.00 94.58 C +ATOM 2290 N PRO A 286 1.459 17.295 2.385 1.00 95.82 N +ATOM 2291 CA PRO A 286 1.483 18.483 3.233 1.00 95.66 C +ATOM 2292 C PRO A 286 0.302 18.538 4.212 1.00 95.73 C +ATOM 2293 O PRO A 286 0.465 18.998 5.344 1.00 95.24 O +ATOM 2294 CB PRO A 286 1.480 19.679 2.263 1.00 95.27 C +ATOM 2295 CG PRO A 286 0.838 19.114 1.005 1.00 94.45 C +ATOM 2296 CD PRO A 286 1.324 17.674 0.991 1.00 95.19 C +ATOM 2297 N ILE A 287 -0.855 18.018 3.817 1.00 95.86 N +ATOM 2298 CA ILE A 287 -2.030 17.940 4.692 1.00 95.75 C +ATOM 2299 C ILE A 287 -1.736 17.035 5.885 1.00 95.85 C +ATOM 2300 O ILE A 287 -1.892 17.439 7.036 1.00 95.51 O +ATOM 2301 CB ILE A 287 -3.269 17.468 3.897 1.00 95.43 C +ATOM 2302 CG1 ILE A 287 -3.630 18.487 2.790 1.00 94.25 C +ATOM 2303 CG2 ILE A 287 -4.471 17.283 4.845 1.00 93.80 C +ATOM 2304 CD1 ILE A 287 -4.683 17.971 1.796 1.00 91.40 C +ATOM 2305 N LEU A 288 -1.257 15.824 5.628 1.00 95.73 N +ATOM 2306 CA LEU A 288 -0.922 14.866 6.670 1.00 95.67 C +ATOM 2307 C LEU A 288 0.227 15.360 7.557 1.00 95.68 C +ATOM 2308 O LEU A 288 0.175 15.136 8.765 1.00 95.35 O +ATOM 2309 CB LEU A 288 -0.569 13.521 6.055 1.00 95.58 C +ATOM 2310 CG LEU A 288 -1.799 12.757 5.544 1.00 95.15 C +ATOM 2311 CD1 LEU A 288 -1.344 11.611 4.666 1.00 94.51 C +ATOM 2312 CD2 LEU A 288 -2.615 12.168 6.718 1.00 94.31 C +ATOM 2313 N LYS A 289 1.189 16.059 6.981 1.00 95.14 N +ATOM 2314 CA LYS A 289 2.281 16.686 7.748 1.00 95.02 C +ATOM 2315 C LYS A 289 1.756 17.693 8.756 1.00 95.15 C +ATOM 2316 O LYS A 289 2.101 17.599 9.933 1.00 94.57 O +ATOM 2317 CB LYS A 289 3.265 17.318 6.756 1.00 94.22 C +ATOM 2318 CG LYS A 289 4.689 17.290 7.276 1.00 89.94 C +ATOM 2319 CD LYS A 289 5.639 17.738 6.153 1.00 85.97 C +ATOM 2320 CE LYS A 289 7.096 17.485 6.572 1.00 79.41 C +ATOM 2321 NZ LYS A 289 8.021 17.667 5.448 1.00 72.86 N1+ +ATOM 2322 N THR A 290 0.860 18.553 8.328 1.00 95.00 N +ATOM 2323 CA THR A 290 0.213 19.551 9.197 1.00 94.88 C +ATOM 2324 C THR A 290 -0.612 18.898 10.294 1.00 94.99 C +ATOM 2325 O THR A 290 -0.531 19.294 11.459 1.00 94.31 O +ATOM 2326 CB THR A 290 -0.672 20.482 8.363 1.00 94.32 C +ATOM 2327 OG1 THR A 290 0.077 21.101 7.354 1.00 91.69 O +ATOM 2328 CG2 THR A 290 -1.300 21.592 9.201 1.00 90.43 C +ATOM 2329 N VAL A 291 -1.391 17.905 9.947 1.00 94.65 N +ATOM 2330 CA VAL A 291 -2.221 17.179 10.929 1.00 94.55 C +ATOM 2331 C VAL A 291 -1.342 16.407 11.908 1.00 94.56 C +ATOM 2332 O VAL A 291 -1.572 16.484 13.124 1.00 93.94 O +ATOM 2333 CB VAL A 291 -3.234 16.268 10.210 1.00 94.05 C +ATOM 2334 CG1 VAL A 291 -4.194 17.062 9.345 1.00 92.13 C +ATOM 2335 CG2 VAL A 291 -4.100 15.503 11.205 1.00 91.83 C +ATOM 2336 N HIS A 292 -0.300 15.755 11.442 1.00 94.80 N +ATOM 2337 CA HIS A 292 0.655 15.051 12.298 1.00 94.64 C +ATOM 2338 C HIS A 292 1.322 15.993 13.313 1.00 94.48 C +ATOM 2339 O HIS A 292 1.344 15.684 14.503 1.00 93.72 O +ATOM 2340 CB HIS A 292 1.695 14.360 11.427 1.00 94.31 C +ATOM 2341 CG HIS A 292 2.887 13.868 12.206 1.00 93.39 C +ATOM 2342 ND1 HIS A 292 2.825 12.972 13.252 1.00 89.40 N1+ +ATOM 2343 CD2 HIS A 292 4.193 14.253 12.065 1.00 88.63 C +ATOM 2344 CE1 HIS A 292 4.068 12.820 13.741 1.00 88.60 C +ATOM 2345 NE2 HIS A 292 4.919 13.575 13.042 1.00 90.26 N +ATOM 2346 N GLU A 293 1.824 17.148 12.874 1.00 93.09 N +ATOM 2347 CA GLU A 293 2.408 18.152 13.767 1.00 92.77 C +ATOM 2348 C GLU A 293 1.425 18.633 14.832 1.00 92.77 C +ATOM 2349 O GLU A 293 1.762 18.686 16.012 1.00 91.93 O +ATOM 2350 CB GLU A 293 2.939 19.346 12.951 1.00 91.33 C +ATOM 2351 CG GLU A 293 4.228 18.973 12.223 1.00 82.01 C +ATOM 2352 CD GLU A 293 4.802 20.107 11.373 1.00 77.54 C +ATOM 2353 OE1 GLU A 293 5.921 19.924 10.825 1.00 66.73 O +ATOM 2354 OE2 GLU A 293 4.122 21.162 11.252 1.00 63.25 O +ATOM 2355 N LYS A 294 0.195 18.881 14.435 1.00 93.11 N +ATOM 2356 CA LYS A 294 -0.870 19.297 15.360 1.00 93.05 C +ATOM 2357 C LYS A 294 -1.096 18.282 16.469 1.00 93.13 C +ATOM 2358 O LYS A 294 -1.201 18.667 17.634 1.00 92.21 O +ATOM 2359 CB LYS A 294 -2.164 19.511 14.547 1.00 92.39 C +ATOM 2360 CG LYS A 294 -3.362 19.942 15.377 1.00 89.32 C +ATOM 2361 CD LYS A 294 -4.593 20.037 14.459 1.00 86.62 C +ATOM 2362 CE LYS A 294 -5.864 20.312 15.252 1.00 81.39 C +ATOM 2363 NZ LYS A 294 -7.055 20.239 14.347 1.00 72.69 N1+ +ATOM 2364 N TYR A 295 -1.136 17.005 16.178 1.00 93.03 N +ATOM 2365 CA TYR A 295 -1.369 15.962 17.192 1.00 93.18 C +ATOM 2366 C TYR A 295 -0.110 15.546 17.937 1.00 92.97 C +ATOM 2367 O TYR A 295 -0.206 15.051 19.064 1.00 91.82 O +ATOM 2368 CB TYR A 295 -2.063 14.769 16.560 1.00 93.01 C +ATOM 2369 CG TYR A 295 -3.503 15.050 16.213 1.00 93.18 C +ATOM 2370 CD1 TYR A 295 -4.464 15.144 17.244 1.00 92.33 C +ATOM 2371 CD2 TYR A 295 -3.884 15.293 14.887 1.00 92.02 C +ATOM 2372 CE1 TYR A 295 -5.790 15.491 16.933 1.00 91.16 C +ATOM 2373 CE2 TYR A 295 -5.201 15.648 14.565 1.00 91.70 C +ATOM 2374 CZ TYR A 295 -6.140 15.747 15.587 1.00 91.93 C +ATOM 2375 OH TYR A 295 -7.435 16.127 15.289 1.00 90.36 O +ATOM 2376 N ARG A 296 1.075 15.790 17.394 1.00 89.24 N +ATOM 2377 CA ARG A 296 2.344 15.546 18.083 1.00 88.06 C +ATOM 2378 C ARG A 296 2.545 16.473 19.301 1.00 87.32 C +ATOM 2379 O ARG A 296 3.040 16.027 20.330 1.00 85.12 O +ATOM 2380 CB ARG A 296 3.491 15.685 17.097 1.00 86.46 C +ATOM 2381 CG ARG A 296 4.736 14.953 17.590 1.00 80.60 C +ATOM 2382 CD ARG A 296 5.901 15.108 16.626 1.00 79.79 C +ATOM 2383 NE ARG A 296 6.771 16.227 16.997 1.00 75.95 N +ATOM 2384 CZ ARG A 296 7.898 16.562 16.405 1.00 70.91 C +ATOM 2385 NH1 ARG A 296 8.311 15.974 15.334 1.00 65.75 N +ATOM 2386 NH2 ARG A 296 8.658 17.506 16.897 1.00 63.84 N1+ +ATOM 2387 N HIS A 297 2.172 17.718 19.184 1.00 80.24 N +ATOM 2388 CA HIS A 297 2.306 18.707 20.265 1.00 79.86 C +ATOM 2389 C HIS A 297 1.352 18.456 21.433 1.00 79.67 C +ATOM 2390 O HIS A 297 1.710 18.771 22.553 1.00 75.96 O +ATOM 2391 CB HIS A 297 2.155 20.095 19.682 1.00 76.62 C +ATOM 2392 CG HIS A 297 3.366 20.510 18.895 1.00 73.57 C +ATOM 2393 ND1 HIS A 297 4.665 20.573 19.370 1.00 64.08 N1+ +ATOM 2394 CD2 HIS A 297 3.429 20.869 17.570 1.00 64.83 C +ATOM 2395 CE1 HIS A 297 5.472 20.983 18.393 1.00 63.59 C +ATOM 2396 NE2 HIS A 297 4.752 21.159 17.259 1.00 63.56 N +ATOM 2397 N HIS A 298 0.216 17.841 21.196 1.00 71.78 N +ATOM 2398 CA HIS A 298 -0.737 17.547 22.290 1.00 70.78 C +ATOM 2399 C HIS A 298 -0.241 16.467 23.253 1.00 70.88 C +ATOM 2400 O HIS A 298 -0.686 16.463 24.397 1.00 66.95 O +ATOM 2401 CB HIS A 298 -2.095 17.165 21.680 1.00 66.25 C +ATOM 2402 CG HIS A 298 -2.855 18.367 21.200 1.00 64.63 C +ATOM 2403 ND1 HIS A 298 -3.236 19.419 22.010 1.00 53.87 N1+ +ATOM 2404 CD2 HIS A 298 -3.340 18.609 19.943 1.00 54.27 C +ATOM 2405 CE1 HIS A 298 -3.925 20.297 21.255 1.00 51.81 C +ATOM 2406 NE2 HIS A 298 -4.001 19.834 19.996 1.00 54.84 N +ATOM 2407 N HIS A 299 0.684 15.615 22.863 1.00 63.13 N +ATOM 2408 CA HIS A 299 1.242 14.575 23.754 1.00 62.56 C +ATOM 2409 C HIS A 299 2.382 15.045 24.654 1.00 62.83 C +ATOM 2410 O HIS A 299 2.805 14.303 25.558 1.00 58.19 O +ATOM 2411 CB HIS A 299 1.646 13.370 22.921 1.00 58.14 C +ATOM 2412 CG HIS A 299 0.497 12.424 22.681 1.00 55.68 C +ATOM 2413 ND1 HIS A 299 -0.177 11.716 23.683 1.00 47.82 N1+ +ATOM 2414 CD2 HIS A 299 -0.089 12.069 21.515 1.00 48.13 C +ATOM 2415 CE1 HIS A 299 -1.132 10.977 23.144 1.00 46.20 C +ATOM 2416 NE2 HIS A 299 -1.108 11.170 21.811 1.00 48.59 N +ATOM 2417 N HIS A 300 2.901 16.272 24.480 1.00 56.43 N +ATOM 2418 CA HIS A 300 3.944 16.812 25.349 1.00 54.33 C +ATOM 2419 C HIS A 300 3.403 17.737 26.476 1.00 55.39 C +ATOM 2420 O HIS A 300 4.190 18.268 27.245 1.00 51.97 O +ATOM 2421 CB HIS A 300 4.997 17.526 24.491 1.00 50.09 C +ATOM 2422 CG HIS A 300 5.938 16.591 23.796 1.00 46.88 C +ATOM 2423 ND1 HIS A 300 6.533 15.480 24.361 1.00 41.35 N1+ +ATOM 2424 CD2 HIS A 300 6.421 16.678 22.522 1.00 40.57 C +ATOM 2425 CE1 HIS A 300 7.326 14.900 23.478 1.00 37.50 C +ATOM 2426 NE2 HIS A 300 7.296 15.622 22.323 1.00 41.42 N +ATOM 2427 N HIS A 301 2.108 17.892 26.563 1.00 59.02 N +ATOM 2428 CA HIS A 301 1.458 18.758 27.554 1.00 57.12 C +ATOM 2429 C HIS A 301 0.575 18.014 28.554 1.00 57.20 C +ATOM 2430 O HIS A 301 -0.174 18.657 29.246 1.00 52.67 O +ATOM 2431 CB HIS A 301 0.717 19.883 26.829 1.00 52.74 C +ATOM 2432 CG HIS A 301 1.635 20.913 26.266 1.00 49.90 C +ATOM 2433 ND1 HIS A 301 2.556 21.657 27.023 1.00 43.63 N1+ +ATOM 2434 CD2 HIS A 301 1.715 21.400 25.002 1.00 42.71 C +ATOM 2435 CE1 HIS A 301 3.163 22.513 26.215 1.00 39.88 C +ATOM 2436 NE2 HIS A 301 2.689 22.382 24.969 1.00 42.04 N +ATOM 2437 N HIS A 302 0.642 16.690 28.603 1.00 51.55 N +ATOM 2438 CA HIS A 302 -0.051 15.872 29.580 1.00 48.89 C +ATOM 2439 C HIS A 302 0.910 14.914 30.303 1.00 48.61 C +ATOM 2440 O HIS A 302 1.794 14.365 29.633 1.00 43.60 O +ATOM 2441 CB HIS A 302 -1.211 15.111 28.927 1.00 44.55 C +ATOM 2442 CG HIS A 302 -2.424 15.995 28.710 1.00 41.90 C +ATOM 2443 ND1 HIS A 302 -3.005 16.786 29.691 1.00 36.87 N1+ +ATOM 2444 CD2 HIS A 302 -3.146 16.159 27.561 1.00 35.31 C +ATOM 2445 CE1 HIS A 302 -4.056 17.390 29.145 1.00 33.17 C +ATOM 2446 NE2 HIS A 302 -4.164 17.034 27.847 1.00 35.78 N +HETATM 2447 O1 LIG Z 1 6.775 -8.999 1.967 1.00 89.03 O +HETATM 2448 C1 LIG Z 1 6.052 -9.384 2.890 1.00 91.15 C +HETATM 2449 N1 LIG Z 1 6.486 -9.538 4.147 1.00 90.86 N +HETATM 2450 C2 LIG Z 1 7.751 -9.207 4.651 1.00 93.34 C +HETATM 2451 C3 LIG Z 1 8.824 -8.718 3.914 1.00 93.55 C +HETATM 2452 C4 LIG Z 1 10.010 -8.373 4.621 1.00 94.29 C +HETATM 2453 N2 LIG Z 1 10.092 -8.515 5.953 1.00 94.43 N +HETATM 2454 C5 LIG Z 1 9.012 -9.026 6.632 1.00 94.12 C +HETATM 2455 N3 LIG Z 1 9.102 -9.112 7.994 1.00 93.40 N +HETATM 2456 C6 LIG Z 1 8.257 -9.822 8.831 1.00 92.02 C +HETATM 2457 O2 LIG Z 1 7.310 -10.548 8.466 1.00 90.03 O +HETATM 2458 C7 LIG Z 1 8.482 -9.633 10.301 1.00 91.34 C +HETATM 2459 C8 LIG Z 1 9.701 -10.041 10.967 1.00 85.99 C +HETATM 2460 C9 LIG Z 1 8.866 -10.570 12.208 1.00 84.45 C +HETATM 2461 C10 LIG Z 1 7.664 -10.466 11.261 1.00 86.94 C +HETATM 2462 C11 LIG Z 1 7.822 -9.365 6.002 1.00 93.61 C +HETATM 2463 C12 LIG Z 1 4.654 -9.686 2.608 1.00 90.29 C +HETATM 2464 C13 LIG Z 1 3.796 -8.690 2.113 1.00 87.41 C +HETATM 2465 CL1 LIG Z 1 4.388 -7.062 1.912 1.00 86.46 CL +HETATM 2466 C14 LIG Z 1 2.458 -8.955 1.806 1.00 86.81 C +HETATM 2467 C15 LIG Z 1 1.940 -10.224 2.000 1.00 86.55 C +HETATM 2468 C16 LIG Z 1 2.750 -11.230 2.509 1.00 84.74 C +HETATM 2469 C17 LIG Z 1 4.096 -10.968 2.814 1.00 87.02 C +HETATM 2470 CL2 LIG Z 1 5.043 -12.238 3.511 1.00 84.68 CL +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2463 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 2462 +CONECT 2451 2450 2452 +CONECT 2452 2451 2453 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2462 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2461 +CONECT 2459 2458 2460 +CONECT 2460 2459 2461 +CONECT 2461 2460 2458 +CONECT 2462 2454 2450 +CONECT 2463 2448 2464 2469 +CONECT 2464 2463 2465 2466 +CONECT 2465 2464 +CONECT 2466 2464 2467 +CONECT 2467 2466 2468 +CONECT 2468 2467 2469 +CONECT 2469 2468 2470 2463 +CONECT 2470 2469 diff --git a/cookbook/assets/of3_output/lig_ejm_48_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_48_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..f3ed2cb --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_48_seed_42_sample_1_model.pdb @@ -0,0 +1,3098 @@ +ATOM 1 N MET A 1 45.373 -9.618 -11.767 1.00 35.39 N +ATOM 2 CA MET A 1 43.997 -9.591 -12.273 1.00 31.59 C +ATOM 3 C MET A 1 43.099 -9.346 -11.055 1.00 32.61 C +ATOM 4 O MET A 1 43.086 -10.175 -10.144 1.00 30.12 O +ATOM 5 CB MET A 1 43.642 -10.932 -12.912 1.00 29.43 C +ATOM 6 CG MET A 1 44.333 -11.074 -14.307 1.00 27.68 C +ATOM 7 SD MET A 1 44.113 -12.722 -15.004 1.00 24.32 S +ATOM 8 CE MET A 1 44.860 -12.471 -16.638 1.00 22.04 C +ATOM 9 N GLY A 2 42.444 -8.193 -11.000 1.00 34.23 N +ATOM 10 CA GLY A 2 41.466 -7.963 -9.963 1.00 31.95 C +ATOM 11 C GLY A 2 40.290 -8.966 -10.092 1.00 34.40 C +ATOM 12 O GLY A 2 39.900 -9.247 -11.203 1.00 33.01 O +ATOM 13 N SER A 3 39.845 -9.519 -9.030 1.00 43.36 N +ATOM 14 CA SER A 3 38.614 -10.312 -9.059 1.00 42.78 C +ATOM 15 C SER A 3 37.533 -9.419 -9.642 1.00 44.05 C +ATOM 16 O SER A 3 37.436 -8.267 -9.195 1.00 41.99 O +ATOM 17 CB SER A 3 38.213 -10.747 -7.658 1.00 38.49 C +ATOM 18 OG SER A 3 39.227 -11.570 -7.099 1.00 36.24 O +ATOM 19 N PRO A 4 36.748 -9.874 -10.602 1.00 47.97 N +ATOM 20 CA PRO A 4 35.639 -9.081 -11.079 1.00 46.21 C +ATOM 21 C PRO A 4 34.773 -8.776 -9.847 1.00 48.53 C +ATOM 22 O PRO A 4 34.478 -9.675 -9.066 1.00 45.04 O +ATOM 23 CB PRO A 4 34.940 -9.961 -12.116 1.00 41.07 C +ATOM 24 CG PRO A 4 35.330 -11.380 -11.736 1.00 40.30 C +ATOM 25 CD PRO A 4 36.715 -11.203 -11.158 1.00 41.26 C +ATOM 26 N ALA A 5 34.496 -7.500 -9.639 1.00 55.45 N +ATOM 27 CA ALA A 5 33.690 -7.085 -8.495 1.00 55.24 C +ATOM 28 C ALA A 5 32.393 -7.863 -8.568 1.00 57.39 C +ATOM 29 O ALA A 5 31.664 -7.789 -9.546 1.00 53.88 O +ATOM 30 CB ALA A 5 33.466 -5.566 -8.561 1.00 48.86 C +ATOM 31 N SER A 6 32.143 -8.666 -7.571 1.00 67.88 N +ATOM 32 CA SER A 6 30.942 -9.444 -7.513 1.00 68.65 C +ATOM 33 C SER A 6 29.761 -8.494 -7.524 1.00 70.28 C +ATOM 34 O SER A 6 29.691 -7.599 -6.670 1.00 65.84 O +ATOM 35 CB SER A 6 30.917 -10.279 -6.241 1.00 62.92 C +ATOM 36 OG SER A 6 29.724 -11.040 -6.154 1.00 56.17 O +ATOM 37 N ASP A 7 28.845 -8.661 -8.446 1.00 78.14 N +ATOM 38 CA ASP A 7 27.632 -7.845 -8.505 1.00 79.66 C +ATOM 39 C ASP A 7 26.877 -8.022 -7.196 1.00 81.47 C +ATOM 40 O ASP A 7 26.426 -9.134 -6.893 1.00 80.36 O +ATOM 41 CB ASP A 7 26.796 -8.232 -9.727 1.00 76.56 C +ATOM 42 CG ASP A 7 25.492 -7.459 -9.863 1.00 73.77 C +ATOM 43 OD1 ASP A 7 25.142 -6.683 -8.952 1.00 66.06 O +ATOM 44 OD2 ASP A 7 24.803 -7.664 -10.885 1.00 68.22 O +ATOM 45 N PRO A 8 26.721 -6.958 -6.381 1.00 85.13 N +ATOM 46 CA PRO A 8 26.094 -7.056 -5.072 1.00 85.67 C +ATOM 47 C PRO A 8 24.625 -7.423 -5.144 1.00 86.68 C +ATOM 48 O PRO A 8 24.034 -7.781 -4.118 1.00 84.06 O +ATOM 49 CB PRO A 8 26.330 -5.699 -4.425 1.00 82.15 C +ATOM 50 CG PRO A 8 26.384 -4.752 -5.634 1.00 79.23 C +ATOM 51 CD PRO A 8 27.076 -5.589 -6.682 1.00 82.38 C +ATOM 52 N THR A 9 24.016 -7.360 -6.317 1.00 89.32 N +ATOM 53 CA THR A 9 22.635 -7.772 -6.553 1.00 89.85 C +ATOM 54 C THR A 9 22.468 -9.262 -6.852 1.00 90.30 C +ATOM 55 O THR A 9 21.337 -9.753 -6.958 1.00 88.44 O +ATOM 56 CB THR A 9 21.966 -6.931 -7.645 1.00 88.39 C +ATOM 57 OG1 THR A 9 22.457 -7.254 -8.928 1.00 85.90 O +ATOM 58 CG2 THR A 9 22.160 -5.431 -7.434 1.00 85.69 C +ATOM 59 N VAL A 10 23.539 -9.998 -6.998 1.00 91.09 N +ATOM 60 CA VAL A 10 23.527 -11.438 -7.229 1.00 91.29 C +ATOM 61 C VAL A 10 23.719 -12.160 -5.897 1.00 91.82 C +ATOM 62 O VAL A 10 24.816 -12.212 -5.351 1.00 90.81 O +ATOM 63 CB VAL A 10 24.531 -11.872 -8.279 1.00 89.84 C +ATOM 64 CG1 VAL A 10 24.242 -11.234 -9.635 1.00 84.84 C +ATOM 65 CG2 VAL A 10 24.510 -13.404 -8.482 1.00 84.95 C +ATOM 66 N PHE A 11 22.677 -12.779 -5.439 1.00 92.10 N +ATOM 67 CA PHE A 11 22.715 -13.601 -4.231 1.00 92.43 C +ATOM 68 C PHE A 11 22.893 -15.060 -4.566 1.00 92.46 C +ATOM 69 O PHE A 11 22.231 -15.631 -5.419 1.00 91.77 O +ATOM 70 CB PHE A 11 21.409 -13.375 -3.428 1.00 92.49 C +ATOM 71 CG PHE A 11 21.390 -12.047 -2.694 1.00 93.36 C +ATOM 72 CD1 PHE A 11 21.575 -12.008 -1.308 1.00 92.43 C +ATOM 73 CD2 PHE A 11 21.204 -10.850 -3.402 1.00 92.20 C +ATOM 74 CE1 PHE A 11 21.590 -10.782 -0.628 1.00 91.61 C +ATOM 75 CE2 PHE A 11 21.239 -9.621 -2.733 1.00 92.12 C +ATOM 76 CZ PHE A 11 21.446 -9.591 -1.346 1.00 92.24 C +ATOM 77 N HIS A 12 23.815 -15.700 -3.883 1.00 91.21 N +ATOM 78 CA HIS A 12 24.124 -17.109 -4.106 1.00 91.15 C +ATOM 79 C HIS A 12 23.347 -18.001 -3.118 1.00 91.43 C +ATOM 80 O HIS A 12 23.540 -17.911 -1.907 1.00 90.30 O +ATOM 81 CB HIS A 12 25.615 -17.351 -4.006 1.00 89.84 C +ATOM 82 CG HIS A 12 26.377 -16.658 -5.078 1.00 88.00 C +ATOM 83 ND1 HIS A 12 26.417 -17.045 -6.420 1.00 79.89 N1+ +ATOM 84 CD2 HIS A 12 27.173 -15.542 -4.946 1.00 79.00 C +ATOM 85 CE1 HIS A 12 27.177 -16.154 -7.057 1.00 78.47 C +ATOM 86 NE2 HIS A 12 27.680 -15.243 -6.211 1.00 79.69 N +ATOM 87 N LYS A 13 22.564 -18.898 -3.638 1.00 90.01 N +ATOM 88 CA LYS A 13 21.717 -19.801 -2.866 1.00 90.25 C +ATOM 89 C LYS A 13 22.462 -20.580 -1.762 1.00 90.88 C +ATOM 90 O LYS A 13 21.926 -20.813 -0.707 1.00 89.36 O +ATOM 91 CB LYS A 13 20.973 -20.741 -3.818 1.00 88.00 C +ATOM 92 CG LYS A 13 19.813 -21.492 -3.139 1.00 77.16 C +ATOM 93 CD LYS A 13 18.916 -22.149 -4.205 1.00 72.89 C +ATOM 94 CE LYS A 13 17.690 -22.810 -3.571 1.00 66.49 C +ATOM 95 NZ LYS A 13 16.632 -23.137 -4.594 1.00 59.98 N1+ +ATOM 96 N ARG A 14 23.712 -20.900 -2.002 1.00 89.48 N +ATOM 97 CA ARG A 14 24.560 -21.597 -1.012 1.00 89.22 C +ATOM 98 C ARG A 14 24.829 -20.819 0.267 1.00 89.70 C +ATOM 99 O ARG A 14 25.156 -21.427 1.270 1.00 88.00 O +ATOM 100 CB ARG A 14 25.904 -22.012 -1.692 1.00 87.63 C +ATOM 101 CG ARG A 14 26.784 -20.812 -2.077 1.00 81.68 C +ATOM 102 CD ARG A 14 28.092 -21.265 -2.735 1.00 78.23 C +ATOM 103 NE ARG A 14 28.922 -20.161 -3.134 1.00 72.96 N +ATOM 104 CZ ARG A 14 28.933 -19.544 -4.323 1.00 67.63 C +ATOM 105 NH1 ARG A 14 28.168 -19.933 -5.279 1.00 61.98 N +ATOM 106 NH2 ARG A 14 29.731 -18.557 -4.531 1.00 61.21 N1+ +ATOM 107 N TYR A 15 24.716 -19.484 0.212 1.00 90.93 N +ATOM 108 CA TYR A 15 24.901 -18.620 1.376 1.00 91.17 C +ATOM 109 C TYR A 15 23.588 -18.171 2.017 1.00 91.51 C +ATOM 110 O TYR A 15 23.607 -17.477 3.027 1.00 90.50 O +ATOM 111 CB TYR A 15 25.724 -17.392 0.953 1.00 90.66 C +ATOM 112 CG TYR A 15 27.076 -17.712 0.334 1.00 90.40 C +ATOM 113 CD1 TYR A 15 27.955 -18.581 0.996 1.00 87.85 C +ATOM 114 CD2 TYR A 15 27.459 -17.103 -0.863 1.00 87.26 C +ATOM 115 CE1 TYR A 15 29.224 -18.872 0.447 1.00 85.99 C +ATOM 116 CE2 TYR A 15 28.713 -17.354 -1.425 1.00 86.73 C +ATOM 117 CZ TYR A 15 29.587 -18.225 -0.767 1.00 87.04 C +ATOM 118 OH TYR A 15 30.843 -18.469 -1.303 1.00 84.96 O +ATOM 119 N LEU A 16 22.473 -18.538 1.445 1.00 91.71 N +ATOM 120 CA LEU A 16 21.147 -18.291 1.997 1.00 92.07 C +ATOM 121 C LEU A 16 20.732 -19.430 2.949 1.00 91.99 C +ATOM 122 O LEU A 16 20.453 -20.549 2.511 1.00 90.80 O +ATOM 123 CB LEU A 16 20.128 -18.105 0.868 1.00 91.62 C +ATOM 124 CG LEU A 16 20.192 -16.741 0.156 1.00 90.01 C +ATOM 125 CD1 LEU A 16 19.305 -16.772 -1.075 1.00 88.95 C +ATOM 126 CD2 LEU A 16 19.701 -15.602 1.053 1.00 88.38 C +ATOM 127 N LYS A 17 20.645 -19.118 4.216 1.00 92.31 N +ATOM 128 CA LYS A 17 20.191 -20.037 5.252 1.00 92.04 C +ATOM 129 C LYS A 17 18.767 -19.645 5.667 1.00 92.20 C +ATOM 130 O LYS A 17 18.578 -18.602 6.283 1.00 91.07 O +ATOM 131 CB LYS A 17 21.161 -20.011 6.434 1.00 90.62 C +ATOM 132 CG LYS A 17 22.545 -20.508 6.045 1.00 84.24 C +ATOM 133 CD LYS A 17 23.576 -20.315 7.169 1.00 80.48 C +ATOM 134 CE LYS A 17 24.957 -20.717 6.678 1.00 75.24 C +ATOM 135 NZ LYS A 17 26.066 -20.272 7.579 1.00 66.64 N1+ +ATOM 136 N LYS A 18 17.812 -20.463 5.336 1.00 91.51 N +ATOM 137 CA LYS A 18 16.416 -20.203 5.715 1.00 91.54 C +ATOM 138 C LYS A 18 16.252 -20.270 7.227 1.00 91.50 C +ATOM 139 O LYS A 18 16.697 -21.216 7.861 1.00 90.50 O +ATOM 140 CB LYS A 18 15.466 -21.208 5.018 1.00 90.81 C +ATOM 141 CG LYS A 18 14.002 -20.869 5.288 1.00 87.81 C +ATOM 142 CD LYS A 18 13.032 -21.794 4.521 1.00 85.75 C +ATOM 143 CE LYS A 18 11.626 -21.355 4.898 1.00 81.75 C +ATOM 144 NZ LYS A 18 10.540 -22.113 4.216 1.00 76.79 N1+ +ATOM 145 N ILE A 19 15.546 -19.268 7.776 1.00 91.95 N +ATOM 146 CA ILE A 19 15.241 -19.189 9.206 1.00 92.00 C +ATOM 147 C ILE A 19 13.785 -19.560 9.440 1.00 92.06 C +ATOM 148 O ILE A 19 13.492 -20.457 10.232 1.00 91.34 O +ATOM 149 CB ILE A 19 15.580 -17.776 9.744 1.00 91.46 C +ATOM 150 CG1 ILE A 19 17.086 -17.484 9.543 1.00 89.59 C +ATOM 151 CG2 ILE A 19 15.203 -17.671 11.227 1.00 88.69 C +ATOM 152 CD1 ILE A 19 17.490 -16.078 9.952 1.00 84.74 C +ATOM 153 N ARG A 20 12.848 -18.891 8.758 1.00 89.88 N +ATOM 154 CA ARG A 20 11.404 -19.160 8.908 1.00 89.42 C +ATOM 155 C ARG A 20 10.607 -18.603 7.734 1.00 89.83 C +ATOM 156 O ARG A 20 11.088 -17.744 7.021 1.00 88.75 O +ATOM 157 CB ARG A 20 10.891 -18.567 10.225 1.00 88.13 C +ATOM 158 CG ARG A 20 11.019 -17.042 10.326 1.00 83.74 C +ATOM 159 CD ARG A 20 10.536 -16.531 11.682 1.00 80.92 C +ATOM 160 NE ARG A 20 10.561 -15.089 11.734 1.00 77.64 N +ATOM 161 CZ ARG A 20 10.412 -14.313 12.792 1.00 74.96 C +ATOM 162 NH1 ARG A 20 10.261 -14.835 13.977 1.00 70.89 N +ATOM 163 NH2 ARG A 20 10.424 -13.036 12.694 1.00 69.95 N1+ +ATOM 164 N ASP A 21 9.371 -19.023 7.613 1.00 90.18 N +ATOM 165 CA ASP A 21 8.424 -18.397 6.713 1.00 90.54 C +ATOM 166 C ASP A 21 7.883 -17.096 7.340 1.00 90.81 C +ATOM 167 O ASP A 21 7.639 -17.033 8.541 1.00 89.73 O +ATOM 168 CB ASP A 21 7.312 -19.389 6.370 1.00 89.49 C +ATOM 169 CG ASP A 21 7.871 -20.585 5.604 1.00 86.58 C +ATOM 170 OD1 ASP A 21 8.795 -20.422 4.797 1.00 81.75 O +ATOM 171 OD2 ASP A 21 7.391 -21.737 5.816 1.00 80.03 O +ATOM 172 N LEU A 22 7.710 -16.086 6.533 1.00 90.52 N +ATOM 173 CA LEU A 22 7.134 -14.806 6.922 1.00 90.61 C +ATOM 174 C LEU A 22 5.674 -14.674 6.475 1.00 90.34 C +ATOM 175 O LEU A 22 4.909 -13.977 7.124 1.00 89.45 O +ATOM 176 CB LEU A 22 7.972 -13.656 6.334 1.00 91.05 C +ATOM 177 CG LEU A 22 9.414 -13.567 6.848 1.00 91.84 C +ATOM 178 CD1 LEU A 22 10.133 -12.425 6.157 1.00 91.27 C +ATOM 179 CD2 LEU A 22 9.471 -13.328 8.361 1.00 90.77 C +ATOM 180 N GLY A 23 5.308 -15.327 5.401 1.00 83.64 N +ATOM 181 CA GLY A 23 3.947 -15.353 4.897 1.00 82.84 C +ATOM 182 C GLY A 23 3.868 -15.596 3.397 1.00 83.33 C +ATOM 183 O GLY A 23 4.855 -15.957 2.765 1.00 82.18 O +ATOM 184 N GLU A 24 2.703 -15.412 2.846 1.00 79.54 N +ATOM 185 CA GLU A 24 2.471 -15.491 1.413 1.00 79.70 C +ATOM 186 C GLU A 24 2.025 -14.133 0.875 1.00 79.86 C +ATOM 187 O GLU A 24 1.140 -13.483 1.431 1.00 76.79 O +ATOM 188 CB GLU A 24 1.451 -16.589 1.068 1.00 77.05 C +ATOM 189 CG GLU A 24 1.949 -17.981 1.448 1.00 72.46 C +ATOM 190 CD GLU A 24 1.153 -19.111 0.805 1.00 69.58 C +ATOM 191 OE1 GLU A 24 1.603 -20.273 0.920 1.00 59.52 O +ATOM 192 OE2 GLU A 24 0.120 -18.847 0.165 1.00 59.17 O +ATOM 193 N GLY A 25 2.648 -13.703 -0.197 1.00 78.35 N +ATOM 194 CA GLY A 25 2.245 -12.558 -0.990 1.00 78.37 C +ATOM 195 C GLY A 25 1.632 -13.008 -2.313 1.00 80.20 C +ATOM 196 O GLY A 25 1.400 -14.198 -2.547 1.00 77.40 O +ATOM 197 N HIS A 26 1.388 -12.043 -3.213 1.00 75.29 N +ATOM 198 CA HIS A 26 0.943 -12.390 -4.557 1.00 74.72 C +ATOM 199 C HIS A 26 2.016 -13.214 -5.276 1.00 75.70 C +ATOM 200 O HIS A 26 3.205 -12.932 -5.176 1.00 72.41 O +ATOM 201 CB HIS A 26 0.579 -11.121 -5.326 1.00 71.49 C +ATOM 202 CG HIS A 26 -0.744 -11.259 -6.008 1.00 71.52 C +ATOM 203 ND1 HIS A 26 -0.946 -11.793 -7.261 1.00 59.33 N1+ +ATOM 204 CD2 HIS A 26 -1.974 -10.911 -5.496 1.00 61.25 C +ATOM 205 CE1 HIS A 26 -2.273 -11.763 -7.518 1.00 60.07 C +ATOM 206 NE2 HIS A 26 -2.921 -11.234 -6.470 1.00 60.76 N +ATOM 207 N PHE A 27 1.617 -14.243 -5.976 1.00 75.86 N +ATOM 208 CA PHE A 27 2.448 -15.179 -6.760 1.00 76.62 C +ATOM 209 C PHE A 27 3.470 -16.029 -6.011 1.00 77.12 C +ATOM 210 O PHE A 27 4.069 -16.915 -6.635 1.00 70.81 O +ATOM 211 CB PHE A 27 3.133 -14.431 -7.905 1.00 71.58 C +ATOM 212 CG PHE A 27 2.228 -13.512 -8.693 1.00 72.62 C +ATOM 213 CD1 PHE A 27 1.108 -14.032 -9.341 1.00 65.91 C +ATOM 214 CD2 PHE A 27 2.505 -12.140 -8.758 1.00 67.25 C +ATOM 215 CE1 PHE A 27 0.255 -13.185 -10.059 1.00 61.41 C +ATOM 216 CE2 PHE A 27 1.653 -11.291 -9.488 1.00 65.04 C +ATOM 217 CZ PHE A 27 0.530 -11.809 -10.133 1.00 64.48 C +ATOM 218 N GLY A 28 3.689 -15.827 -4.716 1.00 79.52 N +ATOM 219 CA GLY A 28 4.754 -16.556 -4.039 1.00 80.11 C +ATOM 220 C GLY A 28 4.724 -16.511 -2.535 1.00 81.59 C +ATOM 221 O GLY A 28 3.818 -15.991 -1.903 1.00 79.57 O +ATOM 222 N LYS A 29 5.752 -17.076 -1.965 1.00 87.33 N +ATOM 223 CA LYS A 29 5.990 -17.178 -0.537 1.00 87.93 C +ATOM 224 C LYS A 29 7.176 -16.321 -0.137 1.00 88.67 C +ATOM 225 O LYS A 29 8.208 -16.362 -0.810 1.00 86.80 O +ATOM 226 CB LYS A 29 6.206 -18.646 -0.198 1.00 85.58 C +ATOM 227 CG LYS A 29 6.192 -18.891 1.308 1.00 77.90 C +ATOM 228 CD LYS A 29 6.378 -20.362 1.603 1.00 72.81 C +ATOM 229 CE LYS A 29 6.061 -20.622 3.068 1.00 67.03 C +ATOM 230 NZ LYS A 29 6.306 -22.016 3.500 1.00 61.46 N1+ +ATOM 231 N VAL A 30 7.058 -15.579 0.953 1.00 91.32 N +ATOM 232 CA VAL A 30 8.148 -14.799 1.537 1.00 91.53 C +ATOM 233 C VAL A 30 8.690 -15.516 2.755 1.00 91.64 C +ATOM 234 O VAL A 30 7.940 -15.940 3.634 1.00 91.01 O +ATOM 235 CB VAL A 30 7.714 -13.366 1.868 1.00 90.92 C +ATOM 236 CG1 VAL A 30 7.106 -12.672 0.652 1.00 89.61 C +ATOM 237 CG2 VAL A 30 8.918 -12.527 2.321 1.00 89.29 C +ATOM 238 N SER A 31 9.990 -15.648 2.821 1.00 93.38 N +ATOM 239 CA SER A 31 10.688 -16.275 3.933 1.00 93.38 C +ATOM 240 C SER A 31 11.845 -15.410 4.411 1.00 93.58 C +ATOM 241 O SER A 31 12.491 -14.738 3.622 1.00 92.85 O +ATOM 242 CB SER A 31 11.200 -17.667 3.543 1.00 92.68 C +ATOM 243 OG SER A 31 10.138 -18.491 3.074 1.00 89.90 O +ATOM 244 N LEU A 32 12.132 -15.446 5.696 1.00 93.49 N +ATOM 245 CA LEU A 32 13.325 -14.864 6.276 1.00 93.64 C +ATOM 246 C LEU A 32 14.511 -15.786 6.045 1.00 93.66 C +ATOM 247 O LEU A 32 14.455 -16.980 6.362 1.00 93.19 O +ATOM 248 CB LEU A 32 13.088 -14.626 7.768 1.00 93.48 C +ATOM 249 CG LEU A 32 14.292 -14.053 8.535 1.00 92.74 C +ATOM 250 CD1 LEU A 32 13.937 -13.929 10.014 1.00 92.09 C +ATOM 251 CD2 LEU A 32 14.684 -12.665 8.041 1.00 91.89 C +ATOM 252 N TYR A 33 15.584 -15.214 5.553 1.00 93.77 N +ATOM 253 CA TYR A 33 16.870 -15.868 5.408 1.00 93.75 C +ATOM 254 C TYR A 33 17.981 -15.058 6.061 1.00 93.83 C +ATOM 255 O TYR A 33 17.907 -13.826 6.101 1.00 93.38 O +ATOM 256 CB TYR A 33 17.185 -16.115 3.927 1.00 93.39 C +ATOM 257 CG TYR A 33 16.392 -17.222 3.264 1.00 93.03 C +ATOM 258 CD1 TYR A 33 17.025 -18.438 2.968 1.00 91.81 C +ATOM 259 CD2 TYR A 33 15.047 -17.045 2.908 1.00 91.60 C +ATOM 260 CE1 TYR A 33 16.316 -19.473 2.322 1.00 90.69 C +ATOM 261 CE2 TYR A 33 14.333 -18.079 2.267 1.00 90.69 C +ATOM 262 CZ TYR A 33 14.976 -19.276 1.974 1.00 90.92 C +ATOM 263 OH TYR A 33 14.277 -20.277 1.327 1.00 89.90 O +ATOM 264 N CYS A 34 19.034 -15.717 6.498 1.00 93.34 N +ATOM 265 CA CYS A 34 20.329 -15.117 6.712 1.00 93.38 C +ATOM 266 C CYS A 34 21.189 -15.322 5.455 1.00 93.49 C +ATOM 267 O CYS A 34 21.346 -16.468 5.008 1.00 92.51 O +ATOM 268 CB CYS A 34 20.960 -15.754 7.939 1.00 92.21 C +ATOM 269 SG CYS A 34 22.568 -15.008 8.339 1.00 88.08 S +ATOM 270 N TYR A 35 21.708 -14.244 4.893 1.00 91.98 N +ATOM 271 CA TYR A 35 22.688 -14.318 3.812 1.00 91.95 C +ATOM 272 C TYR A 35 24.081 -14.102 4.379 1.00 91.58 C +ATOM 273 O TYR A 35 24.441 -13.015 4.793 1.00 90.80 O +ATOM 274 CB TYR A 35 22.347 -13.271 2.743 1.00 92.11 C +ATOM 275 CG TYR A 35 23.227 -13.415 1.521 1.00 92.98 C +ATOM 276 CD1 TYR A 35 23.095 -14.556 0.715 1.00 92.30 C +ATOM 277 CD2 TYR A 35 24.206 -12.451 1.188 1.00 92.39 C +ATOM 278 CE1 TYR A 35 23.928 -14.741 -0.419 1.00 91.93 C +ATOM 279 CE2 TYR A 35 25.007 -12.612 0.052 1.00 91.99 C +ATOM 280 CZ TYR A 35 24.857 -13.747 -0.741 1.00 92.14 C +ATOM 281 OH TYR A 35 25.640 -13.912 -1.870 1.00 91.07 O +ATOM 282 N ASP A 36 24.838 -15.157 4.400 1.00 88.96 N +ATOM 283 CA ASP A 36 26.147 -15.192 5.032 1.00 89.19 C +ATOM 284 C ASP A 36 27.237 -15.692 4.066 1.00 88.94 C +ATOM 285 O ASP A 36 27.611 -16.877 4.071 1.00 87.74 O +ATOM 286 CB ASP A 36 26.023 -16.069 6.296 1.00 88.50 C +ATOM 287 CG ASP A 36 27.278 -16.065 7.175 1.00 89.25 C +ATOM 288 OD1 ASP A 36 28.192 -15.239 6.933 1.00 85.33 O +ATOM 289 OD2 ASP A 36 27.295 -16.860 8.112 1.00 84.47 O +ATOM 290 N PRO A 37 27.765 -14.819 3.198 1.00 87.88 N +ATOM 291 CA PRO A 37 28.735 -15.195 2.187 1.00 87.35 C +ATOM 292 C PRO A 37 30.129 -15.497 2.767 1.00 87.21 C +ATOM 293 O PRO A 37 30.885 -16.222 2.148 1.00 84.46 O +ATOM 294 CB PRO A 37 28.778 -14.018 1.217 1.00 85.64 C +ATOM 295 CG PRO A 37 28.342 -12.823 2.081 1.00 84.40 C +ATOM 296 CD PRO A 37 27.363 -13.427 3.035 1.00 86.75 C +ATOM 297 N THR A 38 30.441 -14.979 3.929 1.00 85.57 N +ATOM 298 CA THR A 38 31.686 -15.242 4.644 1.00 84.95 C +ATOM 299 C THR A 38 31.637 -16.519 5.509 1.00 84.80 C +ATOM 300 O THR A 38 32.673 -17.075 5.831 1.00 81.95 O +ATOM 301 CB THR A 38 32.112 -14.038 5.494 1.00 82.71 C +ATOM 302 OG1 THR A 38 31.059 -13.653 6.316 1.00 77.70 O +ATOM 303 CG2 THR A 38 32.512 -12.849 4.642 1.00 78.06 C +ATOM 304 N ASN A 39 30.430 -16.938 5.793 1.00 82.02 N +ATOM 305 CA ASN A 39 30.140 -18.144 6.580 1.00 81.59 C +ATOM 306 C ASN A 39 30.727 -18.094 8.017 1.00 81.79 C +ATOM 307 O ASN A 39 31.069 -19.097 8.584 1.00 78.60 O +ATOM 308 CB ASN A 39 30.520 -19.391 5.764 1.00 78.69 C +ATOM 309 CG ASN A 39 29.658 -20.595 6.024 1.00 76.62 C +ATOM 310 OD1 ASN A 39 28.534 -20.529 6.497 1.00 68.53 O +ATOM 311 ND2 ASN A 39 30.148 -21.756 5.599 1.00 68.07 N +ATOM 312 N ASP A 40 30.742 -16.888 8.555 1.00 80.88 N +ATOM 313 CA ASP A 40 31.297 -16.578 9.871 1.00 80.29 C +ATOM 314 C ASP A 40 30.231 -16.249 10.920 1.00 80.77 C +ATOM 315 O ASP A 40 30.526 -15.935 12.072 1.00 77.04 O +ATOM 316 CB ASP A 40 32.321 -15.456 9.737 1.00 78.16 C +ATOM 317 CG ASP A 40 31.734 -14.119 9.270 1.00 78.17 C +ATOM 318 OD1 ASP A 40 30.478 -14.009 9.126 1.00 71.64 O +ATOM 319 OD2 ASP A 40 32.532 -13.171 9.036 1.00 72.57 O +ATOM 320 N GLY A 41 28.966 -16.303 10.544 1.00 79.27 N +ATOM 321 CA GLY A 41 27.819 -16.000 11.394 1.00 79.27 C +ATOM 322 C GLY A 41 27.436 -14.517 11.425 1.00 80.98 C +ATOM 323 O GLY A 41 26.487 -14.166 12.126 1.00 78.19 O +ATOM 324 N THR A 42 28.096 -13.655 10.676 1.00 83.03 N +ATOM 325 CA THR A 42 27.795 -12.208 10.586 1.00 83.12 C +ATOM 326 C THR A 42 26.844 -11.858 9.450 1.00 83.79 C +ATOM 327 O THR A 42 26.731 -10.693 9.033 1.00 80.28 O +ATOM 328 CB THR A 42 29.064 -11.379 10.492 1.00 80.86 C +ATOM 329 OG1 THR A 42 29.769 -11.612 9.283 1.00 76.52 O +ATOM 330 CG2 THR A 42 30.025 -11.640 11.646 1.00 76.12 C +ATOM 331 N GLY A 43 26.162 -12.821 8.898 1.00 87.25 N +ATOM 332 CA GLY A 43 25.285 -12.668 7.759 1.00 87.52 C +ATOM 333 C GLY A 43 24.161 -11.676 7.938 1.00 88.49 C +ATOM 334 O GLY A 43 23.645 -11.453 9.031 1.00 86.60 O +ATOM 335 N GLU A 44 23.714 -11.127 6.828 1.00 90.48 N +ATOM 336 CA GLU A 44 22.622 -10.166 6.778 1.00 90.99 C +ATOM 337 C GLU A 44 21.271 -10.867 6.741 1.00 91.90 C +ATOM 338 O GLU A 44 21.067 -11.813 5.972 1.00 90.22 O +ATOM 339 CB GLU A 44 22.835 -9.265 5.567 1.00 88.75 C +ATOM 340 CG GLU A 44 21.778 -8.172 5.508 1.00 77.72 C +ATOM 341 CD GLU A 44 21.879 -7.225 4.302 1.00 73.38 C +ATOM 342 OE1 GLU A 44 21.172 -6.201 4.302 1.00 63.29 O +ATOM 343 OE2 GLU A 44 22.641 -7.500 3.352 1.00 59.88 O +ATOM 344 N MET A 45 20.315 -10.363 7.513 1.00 93.89 N +ATOM 345 CA MET A 45 18.929 -10.819 7.397 1.00 94.09 C +ATOM 346 C MET A 45 18.279 -10.234 6.145 1.00 94.54 C +ATOM 347 O MET A 45 18.292 -9.039 5.918 1.00 93.77 O +ATOM 348 CB MET A 45 18.130 -10.432 8.636 1.00 93.12 C +ATOM 349 CG MET A 45 18.660 -11.136 9.891 1.00 89.28 C +ATOM 350 SD MET A 45 18.559 -12.935 9.812 1.00 88.02 S +ATOM 351 CE MET A 45 19.639 -13.332 11.210 1.00 80.64 C +ATOM 352 N VAL A 46 17.664 -11.081 5.346 1.00 94.96 N +ATOM 353 CA VAL A 46 16.975 -10.719 4.120 1.00 95.03 C +ATOM 354 C VAL A 46 15.612 -11.393 4.029 1.00 95.11 C +ATOM 355 O VAL A 46 15.420 -12.516 4.501 1.00 94.82 O +ATOM 356 CB VAL A 46 17.812 -11.004 2.863 1.00 94.91 C +ATOM 357 CG1 VAL A 46 19.091 -10.150 2.845 1.00 94.50 C +ATOM 358 CG2 VAL A 46 18.200 -12.469 2.712 1.00 94.42 C +ATOM 359 N ALA A 47 14.657 -10.733 3.400 1.00 94.82 N +ATOM 360 CA ALA A 47 13.399 -11.349 3.020 1.00 94.69 C +ATOM 361 C ALA A 47 13.508 -11.860 1.587 1.00 94.76 C +ATOM 362 O ALA A 47 13.852 -11.131 0.669 1.00 94.57 O +ATOM 363 CB ALA A 47 12.269 -10.341 3.206 1.00 94.53 C +ATOM 364 N VAL A 48 13.203 -13.113 1.372 1.00 94.62 N +ATOM 365 CA VAL A 48 13.272 -13.755 0.065 1.00 94.58 C +ATOM 366 C VAL A 48 11.874 -14.163 -0.364 1.00 94.39 C +ATOM 367 O VAL A 48 11.245 -15.000 0.297 1.00 94.05 O +ATOM 368 CB VAL A 48 14.236 -14.945 0.071 1.00 94.54 C +ATOM 369 CG1 VAL A 48 15.639 -14.518 0.524 1.00 94.10 C +ATOM 370 CG2 VAL A 48 14.351 -15.554 -1.324 1.00 94.13 C +ATOM 371 N LYS A 49 11.412 -13.616 -1.471 1.00 92.25 N +ATOM 372 CA LYS A 49 10.165 -14.018 -2.103 1.00 92.03 C +ATOM 373 C LYS A 49 10.452 -14.975 -3.246 1.00 91.90 C +ATOM 374 O LYS A 49 11.221 -14.660 -4.158 1.00 91.43 O +ATOM 375 CB LYS A 49 9.367 -12.779 -2.528 1.00 91.55 C +ATOM 376 CG LYS A 49 7.934 -13.093 -2.982 1.00 90.33 C +ATOM 377 CD LYS A 49 7.155 -11.781 -3.261 1.00 89.02 C +ATOM 378 CE LYS A 49 5.703 -12.040 -3.663 1.00 86.95 C +ATOM 379 NZ LYS A 49 4.973 -10.783 -3.996 1.00 83.39 N1+ +ATOM 380 N ALA A 50 9.854 -16.142 -3.201 1.00 91.04 N +ATOM 381 CA ALA A 50 9.967 -17.187 -4.196 1.00 90.75 C +ATOM 382 C ALA A 50 8.622 -17.419 -4.888 1.00 90.58 C +ATOM 383 O ALA A 50 7.581 -17.492 -4.233 1.00 89.13 O +ATOM 384 CB ALA A 50 10.494 -18.448 -3.521 1.00 89.75 C +ATOM 385 N LEU A 51 8.656 -17.563 -6.198 1.00 82.18 N +ATOM 386 CA LEU A 51 7.491 -17.982 -6.972 1.00 82.20 C +ATOM 387 C LEU A 51 7.179 -19.442 -6.654 1.00 81.44 C +ATOM 388 O LEU A 51 8.087 -20.263 -6.538 1.00 79.87 O +ATOM 389 CB LEU A 51 7.801 -17.776 -8.464 1.00 81.00 C +ATOM 390 CG LEU A 51 6.592 -18.013 -9.391 1.00 78.70 C +ATOM 391 CD1 LEU A 51 7.040 -17.963 -10.847 1.00 77.67 C +ATOM 392 CD2 LEU A 51 5.515 -16.947 -9.183 1.00 76.97 C +ATOM 393 N LYS A 52 5.907 -19.781 -6.564 1.00 79.54 N +ATOM 394 CA LYS A 52 5.477 -21.173 -6.378 1.00 78.53 C +ATOM 395 C LYS A 52 5.940 -22.045 -7.555 1.00 78.23 C +ATOM 396 O LYS A 52 5.907 -21.611 -8.706 1.00 75.88 O +ATOM 397 CB LYS A 52 3.960 -21.241 -6.198 1.00 75.50 C +ATOM 398 CG LYS A 52 3.525 -20.533 -4.900 1.00 71.21 C +ATOM 399 CD LYS A 52 2.004 -20.599 -4.700 1.00 66.92 C +ATOM 400 CE LYS A 52 1.652 -19.871 -3.404 1.00 60.05 C +ATOM 401 NZ LYS A 52 0.203 -19.881 -3.091 1.00 54.94 N1+ +ATOM 402 N ALA A 53 6.368 -23.247 -7.285 1.00 79.40 N +ATOM 403 CA ALA A 53 6.963 -24.137 -8.292 1.00 78.95 C +ATOM 404 C ALA A 53 5.992 -24.528 -9.410 1.00 78.95 C +ATOM 405 O ALA A 53 6.413 -24.700 -10.549 1.00 76.14 O +ATOM 406 CB ALA A 53 7.504 -25.353 -7.563 1.00 77.15 C +ATOM 407 N ASP A 54 4.742 -24.652 -9.099 1.00 78.00 N +ATOM 408 CA ASP A 54 3.636 -24.996 -9.991 1.00 78.15 C +ATOM 409 C ASP A 54 3.023 -23.769 -10.714 1.00 79.07 C +ATOM 410 O ASP A 54 2.043 -23.913 -11.420 1.00 75.88 O +ATOM 411 CB ASP A 54 2.589 -25.748 -9.190 1.00 75.73 C +ATOM 412 CG ASP A 54 1.962 -24.968 -8.044 1.00 74.80 C +ATOM 413 OD1 ASP A 54 2.631 -24.063 -7.511 1.00 66.46 O +ATOM 414 OD2 ASP A 54 0.810 -25.315 -7.650 1.00 66.94 O +ATOM 415 N ALA A 55 3.597 -22.613 -10.547 1.00 78.28 N +ATOM 416 CA ALA A 55 3.099 -21.386 -11.167 1.00 79.33 C +ATOM 417 C ALA A 55 3.152 -21.477 -12.700 1.00 80.08 C +ATOM 418 O ALA A 55 4.191 -21.721 -13.294 1.00 76.11 O +ATOM 419 CB ALA A 55 3.882 -20.206 -10.638 1.00 76.00 C +ATOM 420 N GLY A 56 2.021 -21.219 -13.328 1.00 77.32 N +ATOM 421 CA GLY A 56 1.887 -21.186 -14.769 1.00 77.42 C +ATOM 422 C GLY A 56 2.654 -20.046 -15.446 1.00 78.82 C +ATOM 423 O GLY A 56 3.148 -19.142 -14.791 1.00 77.58 O +ATOM 424 N PRO A 57 2.702 -20.058 -16.768 1.00 81.56 N +ATOM 425 CA PRO A 57 3.440 -19.051 -17.538 1.00 81.53 C +ATOM 426 C PRO A 57 3.017 -17.624 -17.261 1.00 82.56 C +ATOM 427 O PRO A 57 3.860 -16.724 -17.213 1.00 81.43 O +ATOM 428 CB PRO A 57 3.193 -19.428 -19.025 1.00 79.31 C +ATOM 429 CG PRO A 57 2.936 -20.921 -18.976 1.00 79.35 C +ATOM 430 CD PRO A 57 2.203 -21.103 -17.641 1.00 82.06 C +ATOM 431 N GLN A 58 1.759 -17.404 -17.009 1.00 80.84 N +ATOM 432 CA GLN A 58 1.193 -16.093 -16.725 1.00 81.30 C +ATOM 433 C GLN A 58 1.716 -15.537 -15.385 1.00 81.67 C +ATOM 434 O GLN A 58 2.146 -14.391 -15.324 1.00 79.02 O +ATOM 435 CB GLN A 58 -0.325 -16.223 -16.723 1.00 78.74 C +ATOM 436 CG GLN A 58 -1.032 -14.911 -17.009 1.00 74.34 C +ATOM 437 CD GLN A 58 -2.548 -15.164 -17.106 1.00 69.74 C +ATOM 438 OE1 GLN A 58 -3.079 -16.080 -16.534 1.00 59.11 O +ATOM 439 NE2 GLN A 58 -3.253 -14.321 -17.812 1.00 57.47 N +ATOM 440 N HIS A 59 1.790 -16.368 -14.375 1.00 82.25 N +ATOM 441 CA HIS A 59 2.381 -16.012 -13.086 1.00 83.05 C +ATOM 442 C HIS A 59 3.880 -15.769 -13.186 1.00 83.78 C +ATOM 443 O HIS A 59 4.385 -14.864 -12.542 1.00 82.05 O +ATOM 444 CB HIS A 59 2.068 -17.096 -12.060 1.00 81.14 C +ATOM 445 CG HIS A 59 0.623 -17.166 -11.687 1.00 80.98 C +ATOM 446 ND1 HIS A 59 -0.171 -16.091 -11.320 1.00 70.00 N1+ +ATOM 447 CD2 HIS A 59 -0.155 -18.280 -11.611 1.00 70.78 C +ATOM 448 CE1 HIS A 59 -1.391 -16.548 -11.028 1.00 69.88 C +ATOM 449 NE2 HIS A 59 -1.424 -17.874 -11.196 1.00 71.61 N +ATOM 450 N ARG A 60 4.566 -16.505 -14.021 1.00 81.92 N +ATOM 451 CA ARG A 60 6.000 -16.274 -14.276 1.00 82.50 C +ATOM 452 C ARG A 60 6.263 -14.937 -14.952 1.00 83.11 C +ATOM 453 O ARG A 60 7.230 -14.275 -14.609 1.00 83.15 O +ATOM 454 CB ARG A 60 6.575 -17.410 -15.134 1.00 81.80 C +ATOM 455 CG ARG A 60 6.581 -18.745 -14.368 1.00 79.18 C +ATOM 456 CD ARG A 60 7.127 -19.874 -15.237 1.00 80.01 C +ATOM 457 NE ARG A 60 7.139 -21.149 -14.504 1.00 76.03 N +ATOM 458 CZ ARG A 60 8.069 -21.564 -13.669 1.00 71.26 C +ATOM 459 NH1 ARG A 60 9.168 -20.893 -13.446 1.00 66.96 N +ATOM 460 NH2 ARG A 60 7.918 -22.686 -13.038 1.00 68.47 N1+ +ATOM 461 N SER A 61 5.407 -14.546 -15.860 1.00 81.22 N +ATOM 462 CA SER A 61 5.481 -13.229 -16.493 1.00 80.85 C +ATOM 463 C SER A 61 5.219 -12.120 -15.494 1.00 81.62 C +ATOM 464 O SER A 61 6.025 -11.191 -15.370 1.00 78.58 O +ATOM 465 CB SER A 61 4.503 -13.149 -17.667 1.00 77.86 C +ATOM 466 OG SER A 61 4.694 -11.926 -18.362 1.00 69.80 O +ATOM 467 N GLY A 62 4.169 -12.239 -14.708 1.00 84.32 N +ATOM 468 CA GLY A 62 3.864 -11.297 -13.619 1.00 84.68 C +ATOM 469 C GLY A 62 4.981 -11.202 -12.582 1.00 85.98 C +ATOM 470 O GLY A 62 5.313 -10.111 -12.143 1.00 84.03 O +ATOM 471 N TRP A 63 5.604 -12.310 -12.281 1.00 87.97 N +ATOM 472 CA TRP A 63 6.739 -12.368 -11.353 1.00 89.16 C +ATOM 473 C TRP A 63 7.961 -11.599 -11.855 1.00 90.26 C +ATOM 474 O TRP A 63 8.557 -10.822 -11.096 1.00 90.49 O +ATOM 475 CB TRP A 63 7.107 -13.828 -11.117 1.00 88.62 C +ATOM 476 CG TRP A 63 8.268 -14.047 -10.207 1.00 89.15 C +ATOM 477 CD1 TRP A 63 9.355 -14.778 -10.466 1.00 86.20 C +ATOM 478 CD2 TRP A 63 8.444 -13.511 -8.868 1.00 87.50 C +ATOM 479 NE1 TRP A 63 10.211 -14.754 -9.363 1.00 84.31 N +ATOM 480 CE2 TRP A 63 9.689 -13.973 -8.375 1.00 85.85 C +ATOM 481 CE3 TRP A 63 7.667 -12.669 -8.045 1.00 84.81 C +ATOM 482 CZ2 TRP A 63 10.139 -13.608 -7.080 1.00 82.25 C +ATOM 483 CZ3 TRP A 63 8.125 -12.305 -6.766 1.00 76.77 C +ATOM 484 CH2 TRP A 63 9.349 -12.777 -6.297 1.00 77.07 C +ATOM 485 N LYS A 64 8.314 -11.752 -13.104 1.00 87.84 N +ATOM 486 CA LYS A 64 9.394 -10.967 -13.725 1.00 87.96 C +ATOM 487 C LYS A 64 9.088 -9.474 -13.679 1.00 88.65 C +ATOM 488 O LYS A 64 9.952 -8.694 -13.301 1.00 86.78 O +ATOM 489 CB LYS A 64 9.653 -11.404 -15.171 1.00 85.51 C +ATOM 490 CG LYS A 64 10.437 -12.709 -15.234 1.00 75.92 C +ATOM 491 CD LYS A 64 10.783 -13.029 -16.701 1.00 71.04 C +ATOM 492 CE LYS A 64 11.634 -14.280 -16.779 1.00 62.69 C +ATOM 493 NZ LYS A 64 12.052 -14.548 -18.187 1.00 54.92 N1+ +ATOM 494 N GLN A 65 7.855 -9.091 -13.976 1.00 89.46 N +ATOM 495 CA GLN A 65 7.435 -7.693 -13.888 1.00 90.00 C +ATOM 496 C GLN A 65 7.543 -7.146 -12.470 1.00 90.98 C +ATOM 497 O GLN A 65 8.003 -6.028 -12.296 1.00 90.45 O +ATOM 498 CB GLN A 65 6.005 -7.532 -14.398 1.00 88.37 C +ATOM 499 CG GLN A 65 5.905 -7.737 -15.913 1.00 80.69 C +ATOM 500 CD GLN A 65 4.473 -7.574 -16.447 1.00 78.04 C +ATOM 501 OE1 GLN A 65 3.497 -7.571 -15.721 1.00 67.86 O +ATOM 502 NE2 GLN A 65 4.332 -7.430 -17.725 1.00 67.12 N +ATOM 503 N GLU A 66 7.171 -7.903 -11.461 1.00 90.63 N +ATOM 504 CA GLU A 66 7.327 -7.490 -10.058 1.00 91.11 C +ATOM 505 C GLU A 66 8.797 -7.220 -9.718 1.00 91.54 C +ATOM 506 O GLU A 66 9.106 -6.192 -9.121 1.00 90.06 O +ATOM 507 CB GLU A 66 6.718 -8.550 -9.127 1.00 89.27 C +ATOM 508 CG GLU A 66 6.844 -8.167 -7.653 1.00 82.84 C +ATOM 509 CD GLU A 66 6.200 -9.156 -6.661 1.00 82.37 C +ATOM 510 OE1 GLU A 66 6.302 -8.931 -5.455 1.00 68.23 O +ATOM 511 OE2 GLU A 66 5.580 -10.154 -7.077 1.00 66.09 O +ATOM 512 N ILE A 67 9.670 -8.103 -10.119 1.00 93.58 N +ATOM 513 CA ILE A 67 11.115 -7.934 -9.908 1.00 93.85 C +ATOM 514 C ILE A 67 11.632 -6.701 -10.638 1.00 93.83 C +ATOM 515 O ILE A 67 12.362 -5.900 -10.043 1.00 93.50 O +ATOM 516 CB ILE A 67 11.878 -9.208 -10.333 1.00 93.80 C +ATOM 517 CG1 ILE A 67 11.523 -10.371 -9.404 1.00 93.14 C +ATOM 518 CG2 ILE A 67 13.402 -8.960 -10.320 1.00 93.10 C +ATOM 519 CD1 ILE A 67 12.057 -11.733 -9.869 1.00 90.88 C +ATOM 520 N ASP A 68 11.255 -6.536 -11.893 1.00 93.68 N +ATOM 521 CA ASP A 68 11.715 -5.418 -12.706 1.00 93.59 C +ATOM 522 C ASP A 68 11.231 -4.077 -12.154 1.00 93.84 C +ATOM 523 O ASP A 68 12.032 -3.144 -12.067 1.00 92.92 O +ATOM 524 CB ASP A 68 11.280 -5.606 -14.171 1.00 92.82 C +ATOM 525 CG ASP A 68 12.030 -6.730 -14.893 1.00 90.06 C +ATOM 526 OD1 ASP A 68 13.163 -7.052 -14.469 1.00 85.39 O +ATOM 527 OD2 ASP A 68 11.486 -7.231 -15.915 1.00 83.27 O +ATOM 528 N ILE A 69 9.991 -3.997 -11.717 1.00 94.38 N +ATOM 529 CA ILE A 69 9.454 -2.803 -11.057 1.00 94.47 C +ATOM 530 C ILE A 69 10.258 -2.517 -9.795 1.00 94.57 C +ATOM 531 O ILE A 69 10.880 -1.458 -9.712 1.00 94.33 O +ATOM 532 CB ILE A 69 7.941 -2.950 -10.778 1.00 94.52 C +ATOM 533 CG1 ILE A 69 7.158 -2.890 -12.099 1.00 94.02 C +ATOM 534 CG2 ILE A 69 7.444 -1.849 -9.822 1.00 94.13 C +ATOM 535 CD1 ILE A 69 5.696 -3.336 -11.971 1.00 92.14 C +ATOM 536 N LEU A 70 10.322 -3.445 -8.862 1.00 95.51 N +ATOM 537 CA LEU A 70 10.980 -3.208 -7.578 1.00 95.48 C +ATOM 538 C LEU A 70 12.463 -2.844 -7.732 1.00 95.50 C +ATOM 539 O LEU A 70 12.966 -2.007 -6.990 1.00 94.97 O +ATOM 540 CB LEU A 70 10.780 -4.427 -6.668 1.00 95.13 C +ATOM 541 CG LEU A 70 11.219 -4.186 -5.209 1.00 93.91 C +ATOM 542 CD1 LEU A 70 11.093 -5.467 -4.396 1.00 92.65 C +ATOM 543 CD2 LEU A 70 10.384 -3.114 -4.526 1.00 91.96 C +ATOM 544 N ARG A 71 13.126 -3.383 -8.720 1.00 95.08 N +ATOM 545 CA ARG A 71 14.512 -3.049 -9.047 1.00 94.93 C +ATOM 546 C ARG A 71 14.708 -1.572 -9.399 1.00 95.17 C +ATOM 547 O ARG A 71 15.783 -1.052 -9.145 1.00 94.29 O +ATOM 548 CB ARG A 71 14.945 -3.953 -10.202 1.00 93.77 C +ATOM 549 CG ARG A 71 16.418 -3.729 -10.625 1.00 87.45 C +ATOM 550 CD ARG A 71 16.829 -4.634 -11.803 1.00 83.98 C +ATOM 551 NE ARG A 71 17.035 -6.015 -11.346 1.00 79.13 N +ATOM 552 CZ ARG A 71 17.314 -7.062 -12.116 1.00 75.92 C +ATOM 553 NH1 ARG A 71 17.379 -6.961 -13.401 1.00 69.86 N +ATOM 554 NH2 ARG A 71 17.511 -8.223 -11.582 1.00 69.13 N1+ +ATOM 555 N THR A 72 13.707 -0.931 -9.959 1.00 94.17 N +ATOM 556 CA THR A 72 13.798 0.477 -10.365 1.00 93.83 C +ATOM 557 C THR A 72 13.475 1.463 -9.246 1.00 94.05 C +ATOM 558 O THR A 72 13.736 2.659 -9.407 1.00 92.80 O +ATOM 559 CB THR A 72 12.903 0.784 -11.581 1.00 92.35 C +ATOM 560 OG1 THR A 72 11.527 0.703 -11.286 1.00 85.08 O +ATOM 561 CG2 THR A 72 13.180 -0.111 -12.770 1.00 83.66 C +ATOM 562 N LEU A 73 12.927 1.001 -8.133 1.00 95.18 N +ATOM 563 CA LEU A 73 12.404 1.851 -7.081 1.00 95.18 C +ATOM 564 C LEU A 73 13.433 2.091 -5.971 1.00 95.17 C +ATOM 565 O LEU A 73 13.985 1.160 -5.395 1.00 94.78 O +ATOM 566 CB LEU A 73 11.120 1.231 -6.510 1.00 95.22 C +ATOM 567 CG LEU A 73 9.980 1.048 -7.532 1.00 95.03 C +ATOM 568 CD1 LEU A 73 8.779 0.403 -6.835 1.00 94.67 C +ATOM 569 CD2 LEU A 73 9.529 2.353 -8.167 1.00 94.40 C +ATOM 570 N TYR A 74 13.635 3.360 -5.651 1.00 95.65 N +ATOM 571 CA TYR A 74 14.521 3.806 -4.579 1.00 95.22 C +ATOM 572 C TYR A 74 13.868 4.933 -3.785 1.00 95.42 C +ATOM 573 O TYR A 74 13.964 6.099 -4.132 1.00 94.26 O +ATOM 574 CB TYR A 74 15.863 4.265 -5.154 1.00 93.77 C +ATOM 575 CG TYR A 74 16.683 3.160 -5.773 1.00 86.85 C +ATOM 576 CD1 TYR A 74 17.542 2.383 -4.973 1.00 80.92 C +ATOM 577 CD2 TYR A 74 16.588 2.895 -7.155 1.00 77.59 C +ATOM 578 CE1 TYR A 74 18.304 1.352 -5.555 1.00 71.78 C +ATOM 579 CE2 TYR A 74 17.319 1.860 -7.729 1.00 68.62 C +ATOM 580 CZ TYR A 74 18.192 1.096 -6.943 1.00 66.90 C +ATOM 581 OH TYR A 74 18.909 0.069 -7.508 1.00 64.85 O +ATOM 582 N HIS A 75 13.228 4.572 -2.717 1.00 96.27 N +ATOM 583 CA HIS A 75 12.588 5.517 -1.816 1.00 96.20 C +ATOM 584 C HIS A 75 12.563 4.965 -0.391 1.00 96.27 C +ATOM 585 O HIS A 75 12.415 3.762 -0.187 1.00 95.95 O +ATOM 586 CB HIS A 75 11.179 5.820 -2.329 1.00 96.06 C +ATOM 587 CG HIS A 75 10.550 6.987 -1.643 1.00 95.91 C +ATOM 588 ND1 HIS A 75 9.737 6.931 -0.533 1.00 94.81 N1+ +ATOM 589 CD2 HIS A 75 10.699 8.304 -1.969 1.00 94.66 C +ATOM 590 CE1 HIS A 75 9.404 8.176 -0.193 1.00 94.29 C +ATOM 591 NE2 HIS A 75 9.974 9.040 -1.048 1.00 94.58 N +ATOM 592 N GLU A 76 12.697 5.835 0.609 1.00 96.35 N +ATOM 593 CA GLU A 76 12.771 5.412 2.012 1.00 96.14 C +ATOM 594 C GLU A 76 11.497 4.736 2.526 1.00 96.43 C +ATOM 595 O GLU A 76 11.565 3.903 3.423 1.00 95.96 O +ATOM 596 CB GLU A 76 13.163 6.609 2.885 1.00 95.19 C +ATOM 597 CG GLU A 76 12.122 7.726 2.911 1.00 89.06 C +ATOM 598 CD GLU A 76 12.557 8.928 3.742 1.00 84.40 C +ATOM 599 OE1 GLU A 76 12.212 10.070 3.340 1.00 70.58 O +ATOM 600 OE2 GLU A 76 13.252 8.727 4.778 1.00 67.27 O +ATOM 601 N HIS A 77 10.371 5.022 1.906 1.00 96.56 N +ATOM 602 CA HIS A 77 9.072 4.415 2.228 1.00 96.66 C +ATOM 603 C HIS A 77 8.644 3.289 1.273 1.00 96.81 C +ATOM 604 O HIS A 77 7.477 2.908 1.235 1.00 96.63 O +ATOM 605 CB HIS A 77 8.010 5.515 2.334 1.00 96.53 C +ATOM 606 CG HIS A 77 8.366 6.545 3.368 1.00 96.40 C +ATOM 607 ND1 HIS A 77 8.795 6.280 4.650 1.00 95.64 N1+ +ATOM 608 CD2 HIS A 77 8.373 7.892 3.194 1.00 95.39 C +ATOM 609 CE1 HIS A 77 9.064 7.443 5.233 1.00 94.88 C +ATOM 610 NE2 HIS A 77 8.817 8.447 4.379 1.00 95.09 N +ATOM 611 N ILE A 78 9.568 2.751 0.508 1.00 96.65 N +ATOM 612 CA ILE A 78 9.362 1.548 -0.305 1.00 96.60 C +ATOM 613 C ILE A 78 10.375 0.484 0.120 1.00 96.62 C +ATOM 614 O ILE A 78 11.536 0.783 0.367 1.00 96.33 O +ATOM 615 CB ILE A 78 9.437 1.889 -1.811 1.00 96.43 C +ATOM 616 CG1 ILE A 78 8.237 2.786 -2.181 1.00 95.76 C +ATOM 617 CG2 ILE A 78 9.456 0.623 -2.686 1.00 95.54 C +ATOM 618 CD1 ILE A 78 8.211 3.251 -3.634 1.00 93.73 C +ATOM 619 N ILE A 79 9.936 -0.759 0.190 1.00 96.24 N +ATOM 620 CA ILE A 79 10.827 -1.874 0.519 1.00 96.16 C +ATOM 621 C ILE A 79 11.986 -1.924 -0.470 1.00 96.34 C +ATOM 622 O ILE A 79 11.811 -1.838 -1.683 1.00 95.91 O +ATOM 623 CB ILE A 79 10.045 -3.193 0.598 1.00 95.54 C +ATOM 624 CG1 ILE A 79 10.929 -4.273 1.228 1.00 91.36 C +ATOM 625 CG2 ILE A 79 9.506 -3.642 -0.774 1.00 90.15 C +ATOM 626 CD1 ILE A 79 10.170 -5.541 1.612 1.00 84.18 C +ATOM 627 N LYS A 80 13.184 -2.062 0.042 1.00 95.79 N +ATOM 628 CA LYS A 80 14.394 -2.004 -0.760 1.00 95.59 C +ATOM 629 C LYS A 80 14.638 -3.327 -1.477 1.00 95.90 C +ATOM 630 O LYS A 80 14.769 -4.371 -0.853 1.00 95.47 O +ATOM 631 CB LYS A 80 15.571 -1.590 0.131 1.00 94.65 C +ATOM 632 CG LYS A 80 16.842 -1.382 -0.674 1.00 88.47 C +ATOM 633 CD LYS A 80 17.977 -0.888 0.237 1.00 83.77 C +ATOM 634 CE LYS A 80 19.241 -0.676 -0.575 1.00 76.26 C +ATOM 635 NZ LYS A 80 20.343 -0.136 0.241 1.00 69.06 N1+ +ATOM 636 N TYR A 81 14.774 -3.252 -2.798 1.00 95.29 N +ATOM 637 CA TYR A 81 15.351 -4.334 -3.593 1.00 95.37 C +ATOM 638 C TYR A 81 16.820 -4.517 -3.229 1.00 95.33 C +ATOM 639 O TYR A 81 17.560 -3.536 -3.138 1.00 94.94 O +ATOM 640 CB TYR A 81 15.205 -3.990 -5.071 1.00 95.33 C +ATOM 641 CG TYR A 81 15.869 -4.975 -5.997 1.00 95.36 C +ATOM 642 CD1 TYR A 81 15.220 -6.167 -6.353 1.00 94.93 C +ATOM 643 CD2 TYR A 81 17.155 -4.709 -6.511 1.00 94.97 C +ATOM 644 CE1 TYR A 81 15.834 -7.080 -7.234 1.00 94.44 C +ATOM 645 CE2 TYR A 81 17.780 -5.609 -7.400 1.00 94.43 C +ATOM 646 CZ TYR A 81 17.101 -6.788 -7.754 1.00 94.56 C +ATOM 647 OH TYR A 81 17.691 -7.675 -8.637 1.00 93.80 O +ATOM 648 N LYS A 82 17.233 -5.740 -3.031 1.00 95.43 N +ATOM 649 CA LYS A 82 18.640 -6.090 -2.793 1.00 95.09 C +ATOM 650 C LYS A 82 19.243 -6.866 -3.949 1.00 95.20 C +ATOM 651 O LYS A 82 20.417 -6.697 -4.242 1.00 94.24 O +ATOM 652 CB LYS A 82 18.767 -6.862 -1.487 1.00 94.09 C +ATOM 653 CG LYS A 82 18.529 -5.952 -0.299 1.00 89.49 C +ATOM 654 CD LYS A 82 19.076 -6.574 0.962 1.00 86.55 C +ATOM 655 CE LYS A 82 19.179 -5.529 2.058 1.00 81.91 C +ATOM 656 NZ LYS A 82 20.336 -5.767 2.926 1.00 76.84 N1+ +ATOM 657 N GLY A 83 18.464 -7.707 -4.567 1.00 94.84 N +ATOM 658 CA GLY A 83 18.934 -8.502 -5.683 1.00 94.68 C +ATOM 659 C GLY A 83 18.070 -9.703 -5.987 1.00 94.91 C +ATOM 660 O GLY A 83 16.930 -9.806 -5.533 1.00 94.42 O +ATOM 661 N CYS A 84 18.606 -10.636 -6.725 1.00 92.84 N +ATOM 662 CA CYS A 84 17.994 -11.896 -7.054 1.00 92.74 C +ATOM 663 C CYS A 84 18.916 -13.071 -6.715 1.00 92.70 C +ATOM 664 O CYS A 84 20.129 -12.963 -6.736 1.00 91.50 O +ATOM 665 CB CYS A 84 17.590 -11.907 -8.519 1.00 91.91 C +ATOM 666 SG CYS A 84 16.206 -10.793 -8.814 1.00 89.20 S +ATOM 667 N CYS A 85 18.298 -14.192 -6.457 1.00 91.24 N +ATOM 668 CA CYS A 85 18.967 -15.472 -6.342 1.00 91.01 C +ATOM 669 C CYS A 85 18.411 -16.420 -7.385 1.00 90.79 C +ATOM 670 O CYS A 85 17.196 -16.504 -7.580 1.00 89.07 O +ATOM 671 CB CYS A 85 18.772 -15.994 -4.928 1.00 89.55 C +ATOM 672 SG CYS A 85 19.600 -17.583 -4.705 1.00 85.53 S +ATOM 673 N GLU A 86 19.251 -17.182 -8.050 1.00 87.90 N +ATOM 674 CA GLU A 86 18.792 -18.250 -8.924 1.00 86.56 C +ATOM 675 C GLU A 86 18.092 -19.341 -8.120 1.00 86.68 C +ATOM 676 O GLU A 86 18.644 -19.864 -7.139 1.00 83.57 O +ATOM 677 CB GLU A 86 19.954 -18.862 -9.712 1.00 83.54 C +ATOM 678 CG GLU A 86 20.527 -17.916 -10.761 1.00 77.12 C +ATOM 679 CD GLU A 86 21.544 -18.591 -11.692 1.00 75.91 C +ATOM 680 OE1 GLU A 86 21.890 -17.975 -12.716 1.00 64.81 O +ATOM 681 OE2 GLU A 86 21.978 -19.707 -11.403 1.00 63.92 O +ATOM 682 N ASP A 87 16.918 -19.713 -8.570 1.00 84.77 N +ATOM 683 CA ASP A 87 16.166 -20.816 -8.014 1.00 84.41 C +ATOM 684 C ASP A 87 15.982 -21.905 -9.074 1.00 84.45 C +ATOM 685 O ASP A 87 14.969 -21.974 -9.770 1.00 81.42 O +ATOM 686 CB ASP A 87 14.851 -20.328 -7.420 1.00 82.01 C +ATOM 687 CG ASP A 87 14.130 -21.446 -6.654 1.00 82.06 C +ATOM 688 OD1 ASP A 87 14.610 -22.605 -6.646 1.00 76.53 O +ATOM 689 OD2 ASP A 87 13.076 -21.127 -6.062 1.00 76.90 O +ATOM 690 N ALA A 88 16.961 -22.793 -9.145 1.00 85.17 N +ATOM 691 CA ALA A 88 16.918 -23.906 -10.075 1.00 84.62 C +ATOM 692 C ALA A 88 15.746 -24.856 -9.812 1.00 84.80 C +ATOM 693 O ALA A 88 15.186 -25.420 -10.741 1.00 81.11 O +ATOM 694 CB ALA A 88 18.275 -24.640 -9.991 1.00 82.53 C +ATOM 695 N GLY A 89 15.332 -24.972 -8.567 1.00 82.76 N +ATOM 696 CA GLY A 89 14.206 -25.840 -8.192 1.00 82.14 C +ATOM 697 C GLY A 89 12.871 -25.391 -8.763 1.00 83.16 C +ATOM 698 O GLY A 89 12.075 -26.235 -9.164 1.00 80.07 O +ATOM 699 N ALA A 90 12.655 -24.087 -8.853 1.00 81.26 N +ATOM 700 CA ALA A 90 11.458 -23.511 -9.445 1.00 81.34 C +ATOM 701 C ALA A 90 11.644 -23.051 -10.907 1.00 82.46 C +ATOM 702 O ALA A 90 10.713 -22.507 -11.489 1.00 78.44 O +ATOM 703 CB ALA A 90 10.958 -22.388 -8.539 1.00 78.03 C +ATOM 704 N ALA A 91 12.800 -23.226 -11.470 1.00 82.27 N +ATOM 705 CA ALA A 91 13.175 -22.679 -12.793 1.00 82.75 C +ATOM 706 C ALA A 91 12.872 -21.171 -12.910 1.00 84.43 C +ATOM 707 O ALA A 91 12.379 -20.707 -13.945 1.00 82.00 O +ATOM 708 CB ALA A 91 12.564 -23.535 -13.895 1.00 79.86 C +ATOM 709 N SER A 92 13.132 -20.425 -11.858 1.00 85.63 N +ATOM 710 CA SER A 92 12.859 -18.997 -11.754 1.00 86.07 C +ATOM 711 C SER A 92 13.885 -18.300 -10.881 1.00 87.26 C +ATOM 712 O SER A 92 14.774 -18.937 -10.307 1.00 85.99 O +ATOM 713 CB SER A 92 11.436 -18.793 -11.219 1.00 83.46 C +ATOM 714 OG SER A 92 11.305 -19.215 -9.881 1.00 76.39 O +ATOM 715 N LEU A 93 13.758 -16.985 -10.740 1.00 89.46 N +ATOM 716 CA LEU A 93 14.522 -16.195 -9.779 1.00 90.33 C +ATOM 717 C LEU A 93 13.735 -16.027 -8.476 1.00 90.94 C +ATOM 718 O LEU A 93 12.526 -15.845 -8.478 1.00 89.81 O +ATOM 719 CB LEU A 93 14.875 -14.846 -10.392 1.00 88.75 C +ATOM 720 CG LEU A 93 15.773 -14.928 -11.646 1.00 83.52 C +ATOM 721 CD1 LEU A 93 16.003 -13.524 -12.201 1.00 80.05 C +ATOM 722 CD2 LEU A 93 17.137 -15.542 -11.334 1.00 78.74 C +ATOM 723 N GLN A 94 14.448 -16.018 -7.394 1.00 92.54 N +ATOM 724 CA GLN A 94 13.954 -15.539 -6.104 1.00 92.63 C +ATOM 725 C GLN A 94 14.309 -14.071 -5.950 1.00 93.04 C +ATOM 726 O GLN A 94 15.437 -13.665 -6.219 1.00 92.46 O +ATOM 727 CB GLN A 94 14.573 -16.360 -4.976 1.00 92.07 C +ATOM 728 CG GLN A 94 14.215 -17.842 -5.074 1.00 90.18 C +ATOM 729 CD GLN A 94 14.785 -18.653 -3.918 1.00 89.16 C +ATOM 730 OE1 GLN A 94 15.968 -18.701 -3.701 1.00 83.53 O +ATOM 731 NE2 GLN A 94 13.953 -19.307 -3.148 1.00 80.90 N +ATOM 732 N LEU A 95 13.355 -13.282 -5.507 1.00 94.10 N +ATOM 733 CA LEU A 95 13.533 -11.862 -5.204 1.00 94.29 C +ATOM 734 C LEU A 95 14.070 -11.707 -3.791 1.00 94.43 C +ATOM 735 O LEU A 95 13.419 -12.134 -2.838 1.00 94.13 O +ATOM 736 CB LEU A 95 12.181 -11.159 -5.412 1.00 94.07 C +ATOM 737 CG LEU A 95 12.134 -9.700 -4.936 1.00 93.13 C +ATOM 738 CD1 LEU A 95 10.730 -9.152 -5.177 1.00 92.13 C +ATOM 739 CD2 LEU A 95 13.125 -8.815 -5.687 1.00 91.78 C +ATOM 740 N VAL A 96 15.197 -11.067 -3.632 1.00 95.54 N +ATOM 741 CA VAL A 96 15.796 -10.734 -2.338 1.00 95.59 C +ATOM 742 C VAL A 96 15.558 -9.269 -2.016 1.00 95.59 C +ATOM 743 O VAL A 96 15.924 -8.385 -2.787 1.00 95.25 O +ATOM 744 CB VAL A 96 17.286 -11.081 -2.314 1.00 95.49 C +ATOM 745 CG1 VAL A 96 17.548 -12.519 -2.747 1.00 94.96 C +ATOM 746 CG2 VAL A 96 17.855 -10.909 -0.899 1.00 94.87 C +ATOM 747 N MET A 97 14.957 -9.012 -0.885 1.00 95.70 N +ATOM 748 CA MET A 97 14.596 -7.693 -0.395 1.00 95.59 C +ATOM 749 C MET A 97 15.176 -7.480 1.010 1.00 95.70 C +ATOM 750 O MET A 97 15.540 -8.438 1.690 1.00 95.30 O +ATOM 751 CB MET A 97 13.062 -7.573 -0.321 1.00 94.94 C +ATOM 752 CG MET A 97 12.375 -7.872 -1.653 1.00 91.50 C +ATOM 753 SD MET A 97 10.561 -7.954 -1.555 1.00 89.24 S +ATOM 754 CE MET A 97 10.333 -9.473 -0.635 1.00 78.85 C +ATOM 755 N GLU A 98 15.206 -6.234 1.462 1.00 95.38 N +ATOM 756 CA GLU A 98 15.489 -5.966 2.869 1.00 95.12 C +ATOM 757 C GLU A 98 14.469 -6.673 3.760 1.00 95.22 C +ATOM 758 O GLU A 98 13.290 -6.778 3.429 1.00 94.59 O +ATOM 759 CB GLU A 98 15.563 -4.461 3.145 1.00 94.40 C +ATOM 760 CG GLU A 98 14.207 -3.753 3.103 1.00 91.60 C +ATOM 761 CD GLU A 98 14.298 -2.245 3.339 1.00 90.31 C +ATOM 762 OE1 GLU A 98 13.617 -1.485 2.647 1.00 77.59 O +ATOM 763 OE2 GLU A 98 15.078 -1.809 4.227 1.00 75.54 O +ATOM 764 N TYR A 99 14.919 -7.126 4.895 1.00 95.46 N +ATOM 765 CA TYR A 99 14.051 -7.639 5.930 1.00 95.54 C +ATOM 766 C TYR A 99 13.570 -6.500 6.813 1.00 95.54 C +ATOM 767 O TYR A 99 14.364 -5.790 7.406 1.00 95.18 O +ATOM 768 CB TYR A 99 14.807 -8.681 6.737 1.00 95.47 C +ATOM 769 CG TYR A 99 14.073 -9.134 7.978 1.00 95.59 C +ATOM 770 CD1 TYR A 99 12.843 -9.805 7.867 1.00 95.20 C +ATOM 771 CD2 TYR A 99 14.593 -8.873 9.251 1.00 94.98 C +ATOM 772 CE1 TYR A 99 12.153 -10.228 9.017 1.00 94.48 C +ATOM 773 CE2 TYR A 99 13.936 -9.307 10.416 1.00 94.55 C +ATOM 774 CZ TYR A 99 12.715 -9.980 10.289 1.00 94.60 C +ATOM 775 OH TYR A 99 12.046 -10.409 11.421 1.00 94.05 O +ATOM 776 N VAL A 100 12.264 -6.329 6.913 1.00 95.63 N +ATOM 777 CA VAL A 100 11.642 -5.300 7.748 1.00 95.53 C +ATOM 778 C VAL A 100 11.168 -5.933 9.053 1.00 95.59 C +ATOM 779 O VAL A 100 10.291 -6.785 9.045 1.00 95.31 O +ATOM 780 CB VAL A 100 10.524 -4.586 6.987 1.00 95.27 C +ATOM 781 CG1 VAL A 100 11.014 -4.064 5.636 1.00 94.56 C +ATOM 782 CG2 VAL A 100 10.040 -3.380 7.781 1.00 94.45 C +ATOM 783 N PRO A 101 11.756 -5.559 10.207 1.00 95.66 N +ATOM 784 CA PRO A 101 11.728 -6.406 11.397 1.00 95.43 C +ATOM 785 C PRO A 101 10.409 -6.425 12.171 1.00 95.52 C +ATOM 786 O PRO A 101 10.161 -7.386 12.905 1.00 94.91 O +ATOM 787 CB PRO A 101 12.883 -5.906 12.270 1.00 94.80 C +ATOM 788 CG PRO A 101 13.063 -4.456 11.849 1.00 93.45 C +ATOM 789 CD PRO A 101 12.744 -4.508 10.363 1.00 94.27 C +ATOM 790 N LEU A 102 9.570 -5.404 12.028 1.00 95.97 N +ATOM 791 CA LEU A 102 8.324 -5.322 12.802 1.00 95.94 C +ATOM 792 C LEU A 102 7.098 -5.894 12.065 1.00 96.01 C +ATOM 793 O LEU A 102 6.032 -6.013 12.659 1.00 95.50 O +ATOM 794 CB LEU A 102 8.101 -3.876 13.272 1.00 95.68 C +ATOM 795 CG LEU A 102 9.228 -3.306 14.152 1.00 95.07 C +ATOM 796 CD1 LEU A 102 8.849 -1.896 14.631 1.00 94.46 C +ATOM 797 CD2 LEU A 102 9.489 -4.149 15.393 1.00 94.10 C +ATOM 798 N GLY A 103 7.241 -6.298 10.819 1.00 95.51 N +ATOM 799 CA GLY A 103 6.166 -6.904 10.019 1.00 95.34 C +ATOM 800 C GLY A 103 5.144 -5.904 9.512 1.00 95.61 C +ATOM 801 O GLY A 103 5.379 -4.714 9.475 1.00 95.19 O +ATOM 802 N SER A 104 4.000 -6.394 9.076 1.00 95.32 N +ATOM 803 CA SER A 104 2.948 -5.554 8.499 1.00 95.25 C +ATOM 804 C SER A 104 2.212 -4.731 9.550 1.00 95.49 C +ATOM 805 O SER A 104 1.996 -5.191 10.674 1.00 95.15 O +ATOM 806 CB SER A 104 1.965 -6.390 7.685 1.00 94.65 C +ATOM 807 OG SER A 104 1.155 -7.196 8.526 1.00 92.41 O +ATOM 808 N LEU A 105 1.734 -3.564 9.164 1.00 95.78 N +ATOM 809 CA LEU A 105 0.872 -2.754 10.030 1.00 95.73 C +ATOM 810 C LEU A 105 -0.381 -3.512 10.456 1.00 95.78 C +ATOM 811 O LEU A 105 -0.791 -3.395 11.602 1.00 95.53 O +ATOM 812 CB LEU A 105 0.483 -1.451 9.318 1.00 95.56 C +ATOM 813 CG LEU A 105 1.618 -0.421 9.186 1.00 94.95 C +ATOM 814 CD1 LEU A 105 1.089 0.818 8.460 1.00 94.45 C +ATOM 815 CD2 LEU A 105 2.133 0.037 10.549 1.00 94.05 C +ATOM 816 N ARG A 106 -0.928 -4.340 9.595 1.00 95.91 N +ATOM 817 CA ARG A 106 -2.096 -5.178 9.917 1.00 95.74 C +ATOM 818 C ARG A 106 -1.855 -6.104 11.105 1.00 95.84 C +ATOM 819 O ARG A 106 -2.760 -6.313 11.898 1.00 95.40 O +ATOM 820 CB ARG A 106 -2.497 -6.007 8.690 1.00 95.16 C +ATOM 821 CG ARG A 106 -3.823 -6.765 8.922 1.00 91.67 C +ATOM 822 CD ARG A 106 -4.119 -7.754 7.800 1.00 88.97 C +ATOM 823 NE ARG A 106 -3.134 -8.845 7.780 1.00 82.86 N +ATOM 824 CZ ARG A 106 -3.044 -9.798 6.866 1.00 81.55 C +ATOM 825 NH1 ARG A 106 -3.883 -9.883 5.885 1.00 77.48 N +ATOM 826 NH2 ARG A 106 -2.081 -10.669 6.937 1.00 78.11 N1+ +ATOM 827 N ASP A 107 -0.658 -6.650 11.209 1.00 95.18 N +ATOM 828 CA ASP A 107 -0.318 -7.589 12.275 1.00 95.07 C +ATOM 829 C ASP A 107 0.260 -6.880 13.502 1.00 95.23 C +ATOM 830 O ASP A 107 0.179 -7.407 14.619 1.00 94.77 O +ATOM 831 CB ASP A 107 0.662 -8.641 11.735 1.00 94.49 C +ATOM 832 CG ASP A 107 0.079 -9.476 10.580 1.00 92.45 C +ATOM 833 OD1 ASP A 107 -1.150 -9.742 10.574 1.00 88.01 O +ATOM 834 OD2 ASP A 107 0.868 -9.840 9.682 1.00 85.05 O +ATOM 835 N TYR A 108 0.820 -5.712 13.299 1.00 95.93 N +ATOM 836 CA TYR A 108 1.434 -4.925 14.361 1.00 95.90 C +ATOM 837 C TYR A 108 0.423 -4.120 15.179 1.00 95.94 C +ATOM 838 O TYR A 108 0.439 -4.181 16.402 1.00 95.63 O +ATOM 839 CB TYR A 108 2.485 -4.002 13.734 1.00 95.74 C +ATOM 840 CG TYR A 108 3.315 -3.249 14.753 1.00 95.49 C +ATOM 841 CD1 TYR A 108 4.502 -3.829 15.249 1.00 94.99 C +ATOM 842 CD2 TYR A 108 2.913 -1.988 15.235 1.00 94.78 C +ATOM 843 CE1 TYR A 108 5.274 -3.154 16.217 1.00 94.17 C +ATOM 844 CE2 TYR A 108 3.667 -1.312 16.200 1.00 94.23 C +ATOM 845 CZ TYR A 108 4.845 -1.891 16.692 1.00 94.11 C +ATOM 846 OH TYR A 108 5.592 -1.233 17.648 1.00 93.60 O +ATOM 847 N LEU A 109 -0.452 -3.378 14.522 1.00 95.31 N +ATOM 848 CA LEU A 109 -1.341 -2.411 15.180 1.00 95.26 C +ATOM 849 C LEU A 109 -2.304 -3.022 16.197 1.00 95.19 C +ATOM 850 O LEU A 109 -2.468 -2.427 17.265 1.00 94.86 O +ATOM 851 CB LEU A 109 -2.096 -1.589 14.126 1.00 95.17 C +ATOM 852 CG LEU A 109 -1.234 -0.629 13.304 1.00 94.81 C +ATOM 853 CD1 LEU A 109 -2.104 0.084 12.275 1.00 94.41 C +ATOM 854 CD2 LEU A 109 -0.567 0.429 14.176 1.00 94.09 C +ATOM 855 N PRO A 110 -2.880 -4.213 15.981 1.00 94.82 N +ATOM 856 CA PRO A 110 -3.750 -4.842 16.991 1.00 94.64 C +ATOM 857 C PRO A 110 -3.027 -5.221 18.291 1.00 94.64 C +ATOM 858 O PRO A 110 -3.664 -5.490 19.297 1.00 94.03 O +ATOM 859 CB PRO A 110 -4.311 -6.090 16.308 1.00 94.19 C +ATOM 860 CG PRO A 110 -4.226 -5.777 14.827 1.00 93.47 C +ATOM 861 CD PRO A 110 -2.942 -4.975 14.750 1.00 94.16 C +ATOM 862 N ARG A 111 -1.709 -5.274 18.274 1.00 94.09 N +ATOM 863 CA ARG A 111 -0.874 -5.711 19.414 1.00 93.70 C +ATOM 864 C ARG A 111 -0.145 -4.570 20.114 1.00 93.77 C +ATOM 865 O ARG A 111 0.500 -4.816 21.125 1.00 92.32 O +ATOM 866 CB ARG A 111 0.127 -6.761 18.920 1.00 92.24 C +ATOM 867 CG ARG A 111 -0.544 -7.951 18.234 1.00 83.23 C +ATOM 868 CD ARG A 111 0.523 -8.923 17.726 1.00 79.32 C +ATOM 869 NE ARG A 111 -0.083 -9.980 16.887 1.00 72.75 N +ATOM 870 CZ ARG A 111 0.570 -10.943 16.258 1.00 67.48 C +ATOM 871 NH1 ARG A 111 1.862 -11.065 16.346 1.00 59.08 N +ATOM 872 NH2 ARG A 111 -0.085 -11.761 15.499 1.00 56.57 N1+ +ATOM 873 N HIS A 112 -0.207 -3.362 19.557 1.00 93.68 N +ATOM 874 CA HIS A 112 0.546 -2.219 20.072 1.00 93.71 C +ATOM 875 C HIS A 112 -0.346 -0.989 20.150 1.00 93.78 C +ATOM 876 O HIS A 112 -1.028 -0.626 19.199 1.00 92.80 O +ATOM 877 CB HIS A 112 1.745 -1.957 19.144 1.00 93.26 C +ATOM 878 CG HIS A 112 2.713 -3.110 19.089 1.00 92.51 C +ATOM 879 ND1 HIS A 112 2.593 -4.229 18.274 1.00 88.55 N1+ +ATOM 880 CD2 HIS A 112 3.868 -3.281 19.832 1.00 87.63 C +ATOM 881 CE1 HIS A 112 3.630 -5.046 18.519 1.00 87.56 C +ATOM 882 NE2 HIS A 112 4.418 -4.504 19.453 1.00 88.63 N +ATOM 883 N SER A 113 -0.320 -0.319 21.272 1.00 92.48 N +ATOM 884 CA SER A 113 -1.097 0.910 21.489 1.00 92.35 C +ATOM 885 C SER A 113 -0.410 2.105 20.830 1.00 92.93 C +ATOM 886 O SER A 113 0.323 2.849 21.471 1.00 91.07 O +ATOM 887 CB SER A 113 -1.284 1.151 22.989 1.00 89.73 C +ATOM 888 OG SER A 113 -2.005 0.087 23.583 1.00 77.42 O +ATOM 889 N ILE A 114 -0.644 2.277 19.546 1.00 93.84 N +ATOM 890 CA ILE A 114 -0.101 3.402 18.770 1.00 93.92 C +ATOM 891 C ILE A 114 -1.072 4.583 18.848 1.00 94.23 C +ATOM 892 O ILE A 114 -2.263 4.448 18.595 1.00 93.17 O +ATOM 893 CB ILE A 114 0.195 2.964 17.329 1.00 92.54 C +ATOM 894 CG1 ILE A 114 1.116 1.725 17.262 1.00 85.35 C +ATOM 895 CG2 ILE A 114 0.803 4.109 16.521 1.00 81.55 C +ATOM 896 CD1 ILE A 114 2.464 1.886 17.986 1.00 74.58 C +ATOM 897 N GLY A 115 -0.550 5.743 19.200 1.00 95.15 N +ATOM 898 CA GLY A 115 -1.339 6.960 19.261 1.00 95.07 C +ATOM 899 C GLY A 115 -1.686 7.553 17.903 1.00 95.46 C +ATOM 900 O GLY A 115 -1.013 7.279 16.912 1.00 95.06 O +ATOM 901 N LEU A 116 -2.667 8.430 17.889 1.00 95.28 N +ATOM 902 CA LEU A 116 -3.161 9.058 16.655 1.00 95.38 C +ATOM 903 C LEU A 116 -2.059 9.775 15.874 1.00 95.61 C +ATOM 904 O LEU A 116 -1.967 9.590 14.659 1.00 95.53 O +ATOM 905 CB LEU A 116 -4.279 10.027 17.047 1.00 95.18 C +ATOM 906 CG LEU A 116 -4.859 10.860 15.879 1.00 94.58 C +ATOM 907 CD1 LEU A 116 -5.934 11.788 16.421 1.00 94.00 C +ATOM 908 CD2 LEU A 116 -5.480 9.972 14.790 1.00 93.50 C +ATOM 909 N ALA A 117 -1.200 10.533 16.551 1.00 95.73 N +ATOM 910 CA ALA A 117 -0.110 11.230 15.887 1.00 95.74 C +ATOM 911 C ALA A 117 0.816 10.272 15.127 1.00 95.96 C +ATOM 912 O ALA A 117 1.196 10.542 13.997 1.00 95.65 O +ATOM 913 CB ALA A 117 0.668 12.019 16.944 1.00 95.22 C +ATOM 914 N GLN A 118 1.107 9.123 15.709 1.00 96.22 N +ATOM 915 CA GLN A 118 1.950 8.113 15.056 1.00 96.10 C +ATOM 916 C GLN A 118 1.263 7.466 13.860 1.00 96.26 C +ATOM 917 O GLN A 118 1.907 7.239 12.833 1.00 96.01 O +ATOM 918 CB GLN A 118 2.327 7.061 16.118 1.00 95.57 C +ATOM 919 CG GLN A 118 3.501 6.182 15.666 1.00 92.65 C +ATOM 920 CD GLN A 118 4.813 6.957 15.566 1.00 91.15 C +ATOM 921 OE1 GLN A 118 5.003 8.013 16.139 1.00 81.56 O +ATOM 922 NE2 GLN A 118 5.760 6.457 14.840 1.00 78.86 N +ATOM 923 N LEU A 119 -0.020 7.203 13.932 1.00 96.24 N +ATOM 924 CA LEU A 119 -0.800 6.686 12.807 1.00 96.33 C +ATOM 925 C LEU A 119 -0.841 7.683 11.647 1.00 96.44 C +ATOM 926 O LEU A 119 -0.707 7.298 10.488 1.00 96.25 O +ATOM 927 CB LEU A 119 -2.230 6.358 13.260 1.00 96.27 C +ATOM 928 CG LEU A 119 -2.347 5.254 14.318 1.00 95.90 C +ATOM 929 CD1 LEU A 119 -3.806 5.139 14.753 1.00 95.47 C +ATOM 930 CD2 LEU A 119 -1.904 3.890 13.786 1.00 95.35 C +ATOM 931 N LEU A 120 -0.960 8.954 11.947 1.00 96.18 N +ATOM 932 CA LEU A 120 -0.934 10.022 10.950 1.00 96.24 C +ATOM 933 C LEU A 120 0.447 10.191 10.324 1.00 96.26 C +ATOM 934 O LEU A 120 0.539 10.443 9.125 1.00 96.04 O +ATOM 935 CB LEU A 120 -1.405 11.329 11.595 1.00 96.18 C +ATOM 936 CG LEU A 120 -2.882 11.327 12.020 1.00 95.87 C +ATOM 937 CD1 LEU A 120 -3.151 12.585 12.834 1.00 95.55 C +ATOM 938 CD2 LEU A 120 -3.830 11.311 10.816 1.00 95.33 C +ATOM 939 N LEU A 121 1.511 9.977 11.090 1.00 96.35 N +ATOM 940 CA LEU A 121 2.870 9.909 10.536 1.00 96.34 C +ATOM 941 C LEU A 121 3.009 8.758 9.551 1.00 96.40 C +ATOM 942 O LEU A 121 3.520 8.957 8.445 1.00 96.19 O +ATOM 943 CB LEU A 121 3.886 9.778 11.695 1.00 96.20 C +ATOM 944 CG LEU A 121 5.352 9.631 11.232 1.00 95.71 C +ATOM 945 CD1 LEU A 121 6.244 9.368 12.438 1.00 95.09 C +ATOM 946 CD2 LEU A 121 5.843 10.894 10.521 1.00 94.48 C +ATOM 947 N PHE A 122 2.500 7.578 9.869 1.00 96.66 N +ATOM 948 CA PHE A 122 2.506 6.451 8.948 1.00 96.70 C +ATOM 949 C PHE A 122 1.689 6.737 7.680 1.00 96.76 C +ATOM 950 O PHE A 122 2.166 6.467 6.586 1.00 96.60 O +ATOM 951 CB PHE A 122 1.970 5.191 9.642 1.00 96.64 C +ATOM 952 CG PHE A 122 2.747 4.704 10.854 1.00 96.61 C +ATOM 953 CD1 PHE A 122 4.105 5.000 11.029 1.00 96.21 C +ATOM 954 CD2 PHE A 122 2.097 3.884 11.793 1.00 96.04 C +ATOM 955 CE1 PHE A 122 4.811 4.505 12.142 1.00 95.56 C +ATOM 956 CE2 PHE A 122 2.791 3.373 12.904 1.00 95.62 C +ATOM 957 CZ PHE A 122 4.146 3.684 13.083 1.00 95.58 C +ATOM 958 N ALA A 123 0.532 7.344 7.841 1.00 96.57 N +ATOM 959 CA ALA A 123 -0.297 7.743 6.710 1.00 96.56 C +ATOM 960 C ALA A 123 0.432 8.733 5.783 1.00 96.62 C +ATOM 961 O ALA A 123 0.418 8.554 4.561 1.00 96.45 O +ATOM 962 CB ALA A 123 -1.598 8.335 7.239 1.00 96.41 C +ATOM 963 N GLN A 124 1.113 9.721 6.349 1.00 96.62 N +ATOM 964 CA GLN A 124 1.949 10.648 5.584 1.00 96.59 C +ATOM 965 C GLN A 124 3.048 9.918 4.809 1.00 96.64 C +ATOM 966 O GLN A 124 3.204 10.127 3.610 1.00 96.31 O +ATOM 967 CB GLN A 124 2.549 11.680 6.555 1.00 96.22 C +ATOM 968 CG GLN A 124 3.427 12.707 5.834 1.00 94.82 C +ATOM 969 CD GLN A 124 4.341 13.469 6.796 1.00 93.69 C +ATOM 970 OE1 GLN A 124 4.012 13.737 7.934 1.00 87.34 O +ATOM 971 NE2 GLN A 124 5.518 13.814 6.361 1.00 86.61 N +ATOM 972 N GLN A 125 3.768 9.040 5.460 1.00 96.64 N +ATOM 973 CA GLN A 125 4.849 8.271 4.838 1.00 96.64 C +ATOM 974 C GLN A 125 4.362 7.340 3.725 1.00 96.65 C +ATOM 975 O GLN A 125 5.015 7.212 2.692 1.00 96.42 O +ATOM 976 CB GLN A 125 5.564 7.449 5.914 1.00 96.59 C +ATOM 977 CG GLN A 125 6.372 8.318 6.883 1.00 96.36 C +ATOM 978 CD GLN A 125 7.072 7.495 7.973 1.00 96.16 C +ATOM 979 OE1 GLN A 125 7.019 6.276 7.996 1.00 94.49 O +ATOM 980 NE2 GLN A 125 7.745 8.136 8.881 1.00 93.76 N +ATOM 981 N ILE A 126 3.205 6.734 3.894 1.00 96.59 N +ATOM 982 CA ILE A 126 2.564 5.963 2.824 1.00 96.62 C +ATOM 983 C ILE A 126 2.305 6.870 1.621 1.00 96.60 C +ATOM 984 O ILE A 126 2.646 6.498 0.499 1.00 96.49 O +ATOM 985 CB ILE A 126 1.266 5.287 3.327 1.00 96.71 C +ATOM 986 CG1 ILE A 126 1.579 4.204 4.379 1.00 96.68 C +ATOM 987 CG2 ILE A 126 0.507 4.639 2.154 1.00 96.69 C +ATOM 988 CD1 ILE A 126 0.354 3.775 5.213 1.00 96.40 C +ATOM 989 N CYS A 127 1.781 8.067 1.842 1.00 96.72 N +ATOM 990 CA CYS A 127 1.552 9.016 0.754 1.00 96.66 C +ATOM 991 C CYS A 127 2.852 9.450 0.072 1.00 96.61 C +ATOM 992 O CYS A 127 2.859 9.578 -1.147 1.00 96.35 O +ATOM 993 CB CYS A 127 0.801 10.240 1.283 1.00 96.55 C +ATOM 994 SG CYS A 127 -0.903 9.782 1.662 1.00 96.34 S +ATOM 995 N GLU A 128 3.916 9.637 0.804 1.00 96.83 N +ATOM 996 CA GLU A 128 5.238 9.976 0.244 1.00 96.71 C +ATOM 997 C GLU A 128 5.761 8.846 -0.651 1.00 96.83 C +ATOM 998 O GLU A 128 6.140 9.087 -1.800 1.00 96.49 O +ATOM 999 CB GLU A 128 6.219 10.293 1.386 1.00 96.38 C +ATOM 1000 CG GLU A 128 5.896 11.652 2.037 1.00 94.76 C +ATOM 1001 CD GLU A 128 6.668 11.972 3.336 1.00 93.82 C +ATOM 1002 OE1 GLU A 128 6.455 13.088 3.857 1.00 84.35 O +ATOM 1003 OE2 GLU A 128 7.431 11.117 3.833 1.00 82.43 O +ATOM 1004 N GLY A 129 5.697 7.621 -0.189 1.00 96.73 N +ATOM 1005 CA GLY A 129 6.082 6.463 -0.993 1.00 96.69 C +ATOM 1006 C GLY A 129 5.205 6.260 -2.233 1.00 96.81 C +ATOM 1007 O GLY A 129 5.714 5.964 -3.316 1.00 96.63 O +ATOM 1008 N MET A 130 3.912 6.492 -2.103 1.00 96.49 N +ATOM 1009 CA MET A 130 2.971 6.364 -3.220 1.00 96.55 C +ATOM 1010 C MET A 130 3.099 7.503 -4.238 1.00 96.53 C +ATOM 1011 O MET A 130 2.987 7.248 -5.435 1.00 96.34 O +ATOM 1012 CB MET A 130 1.549 6.294 -2.672 1.00 96.53 C +ATOM 1013 CG MET A 130 1.259 4.959 -1.987 1.00 96.37 C +ATOM 1014 SD MET A 130 1.452 3.451 -2.980 1.00 96.16 S +ATOM 1015 CE MET A 130 0.306 3.770 -4.317 1.00 95.29 C +ATOM 1016 N ALA A 131 3.363 8.726 -3.789 1.00 96.61 N +ATOM 1017 CA ALA A 131 3.642 9.845 -4.681 1.00 96.52 C +ATOM 1018 C ALA A 131 4.889 9.587 -5.528 1.00 96.50 C +ATOM 1019 O ALA A 131 4.859 9.765 -6.742 1.00 96.27 O +ATOM 1020 CB ALA A 131 3.803 11.121 -3.850 1.00 96.41 C +ATOM 1021 N TYR A 132 5.938 9.062 -4.908 1.00 96.53 N +ATOM 1022 CA TYR A 132 7.125 8.623 -5.634 1.00 96.40 C +ATOM 1023 C TYR A 132 6.796 7.518 -6.647 1.00 96.46 C +ATOM 1024 O TYR A 132 7.188 7.614 -7.801 1.00 96.22 O +ATOM 1025 CB TYR A 132 8.184 8.152 -4.635 1.00 96.27 C +ATOM 1026 CG TYR A 132 9.333 7.414 -5.303 1.00 96.10 C +ATOM 1027 CD1 TYR A 132 10.377 8.136 -5.902 1.00 95.68 C +ATOM 1028 CD2 TYR A 132 9.331 6.011 -5.361 1.00 95.51 C +ATOM 1029 CE1 TYR A 132 11.431 7.450 -6.545 1.00 94.94 C +ATOM 1030 CE2 TYR A 132 10.374 5.326 -6.002 1.00 95.12 C +ATOM 1031 CZ TYR A 132 11.418 6.046 -6.591 1.00 95.04 C +ATOM 1032 OH TYR A 132 12.442 5.380 -7.218 1.00 94.22 O +ATOM 1033 N LEU A 133 6.035 6.497 -6.249 1.00 96.35 N +ATOM 1034 CA LEU A 133 5.656 5.399 -7.141 1.00 96.31 C +ATOM 1035 C LEU A 133 4.901 5.910 -8.373 1.00 96.36 C +ATOM 1036 O LEU A 133 5.213 5.509 -9.497 1.00 96.01 O +ATOM 1037 CB LEU A 133 4.809 4.400 -6.336 1.00 96.01 C +ATOM 1038 CG LEU A 133 4.458 3.133 -7.122 1.00 94.88 C +ATOM 1039 CD1 LEU A 133 3.416 2.314 -6.369 1.00 94.11 C +ATOM 1040 CD2 LEU A 133 5.685 2.255 -7.349 1.00 93.29 C +ATOM 1041 N HIS A 134 3.955 6.800 -8.181 1.00 96.05 N +ATOM 1042 CA HIS A 134 3.211 7.413 -9.265 1.00 95.96 C +ATOM 1043 C HIS A 134 4.102 8.295 -10.153 1.00 95.83 C +ATOM 1044 O HIS A 134 3.954 8.256 -11.368 1.00 95.55 O +ATOM 1045 CB HIS A 134 2.058 8.232 -8.678 1.00 95.90 C +ATOM 1046 CG HIS A 134 0.918 7.396 -8.161 1.00 95.94 C +ATOM 1047 ND1 HIS A 134 -0.303 7.904 -7.747 1.00 95.15 N1+ +ATOM 1048 CD2 HIS A 134 0.846 6.039 -8.069 1.00 94.89 C +ATOM 1049 CE1 HIS A 134 -1.097 6.879 -7.416 1.00 94.53 C +ATOM 1050 NE2 HIS A 134 -0.440 5.730 -7.607 1.00 94.76 N +ATOM 1051 N ALA A 135 5.048 9.021 -9.579 1.00 96.23 N +ATOM 1052 CA ALA A 135 6.036 9.779 -10.343 1.00 96.05 C +ATOM 1053 C ALA A 135 6.941 8.879 -11.204 1.00 96.12 C +ATOM 1054 O ALA A 135 7.422 9.313 -12.244 1.00 95.69 O +ATOM 1055 CB ALA A 135 6.851 10.633 -9.380 1.00 95.65 C +ATOM 1056 N GLN A 136 7.109 7.627 -10.825 1.00 96.19 N +ATOM 1057 CA GLN A 136 7.782 6.591 -11.637 1.00 96.13 C +ATOM 1058 C GLN A 136 6.835 5.895 -12.633 1.00 96.27 C +ATOM 1059 O GLN A 136 7.220 4.900 -13.248 1.00 95.81 O +ATOM 1060 CB GLN A 136 8.475 5.580 -10.722 1.00 95.68 C +ATOM 1061 CG GLN A 136 9.533 6.196 -9.786 1.00 94.02 C +ATOM 1062 CD GLN A 136 10.600 7.002 -10.516 1.00 92.28 C +ATOM 1063 OE1 GLN A 136 11.316 6.517 -11.370 1.00 86.11 O +ATOM 1064 NE2 GLN A 136 10.722 8.278 -10.205 1.00 84.62 N +ATOM 1065 N HIS A 137 5.643 6.386 -12.794 1.00 95.97 N +ATOM 1066 CA HIS A 137 4.604 5.842 -13.693 1.00 95.92 C +ATOM 1067 C HIS A 137 4.126 4.417 -13.368 1.00 96.20 C +ATOM 1068 O HIS A 137 3.716 3.674 -14.247 1.00 95.77 O +ATOM 1069 CB HIS A 137 5.021 6.007 -15.152 1.00 95.30 C +ATOM 1070 CG HIS A 137 5.368 7.425 -15.516 1.00 94.10 C +ATOM 1071 ND1 HIS A 137 4.497 8.490 -15.525 1.00 90.89 N1+ +ATOM 1072 CD2 HIS A 137 6.608 7.903 -15.855 1.00 87.72 C +ATOM 1073 CE1 HIS A 137 5.179 9.578 -15.865 1.00 86.88 C +ATOM 1074 NE2 HIS A 137 6.481 9.256 -16.063 1.00 89.29 N +ATOM 1075 N TYR A 138 4.107 4.075 -12.111 1.00 95.94 N +ATOM 1076 CA TYR A 138 3.528 2.810 -11.642 1.00 96.00 C +ATOM 1077 C TYR A 138 2.246 3.032 -10.854 1.00 96.10 C +ATOM 1078 O TYR A 138 2.106 4.001 -10.131 1.00 95.82 O +ATOM 1079 CB TYR A 138 4.541 2.029 -10.822 1.00 95.89 C +ATOM 1080 CG TYR A 138 5.799 1.645 -11.588 1.00 95.71 C +ATOM 1081 CD1 TYR A 138 5.743 0.660 -12.593 1.00 95.20 C +ATOM 1082 CD2 TYR A 138 7.014 2.281 -11.308 1.00 95.05 C +ATOM 1083 CE1 TYR A 138 6.907 0.325 -13.320 1.00 94.51 C +ATOM 1084 CE2 TYR A 138 8.179 1.953 -12.023 1.00 94.55 C +ATOM 1085 CZ TYR A 138 8.114 0.979 -13.025 1.00 94.51 C +ATOM 1086 OH TYR A 138 9.250 0.656 -13.737 1.00 93.99 O +ATOM 1087 N ILE A 139 1.348 2.073 -10.944 1.00 95.86 N +ATOM 1088 CA ILE A 139 0.178 1.932 -10.069 1.00 95.84 C +ATOM 1089 C ILE A 139 0.397 0.696 -9.199 1.00 95.97 C +ATOM 1090 O ILE A 139 0.745 -0.367 -9.723 1.00 95.58 O +ATOM 1091 CB ILE A 139 -1.127 1.821 -10.894 1.00 95.24 C +ATOM 1092 CG1 ILE A 139 -1.314 3.036 -11.814 1.00 92.57 C +ATOM 1093 CG2 ILE A 139 -2.331 1.692 -9.955 1.00 91.59 C +ATOM 1094 CD1 ILE A 139 -2.527 2.899 -12.761 1.00 86.47 C +ATOM 1095 N HIS A 140 0.180 0.806 -7.899 1.00 95.92 N +ATOM 1096 CA HIS A 140 0.406 -0.294 -6.961 1.00 95.89 C +ATOM 1097 C HIS A 140 -0.674 -1.374 -7.050 1.00 95.86 C +ATOM 1098 O HIS A 140 -0.365 -2.561 -7.048 1.00 95.42 O +ATOM 1099 CB HIS A 140 0.522 0.277 -5.544 1.00 95.81 C +ATOM 1100 CG HIS A 140 0.943 -0.748 -4.539 1.00 95.77 C +ATOM 1101 ND1 HIS A 140 0.133 -1.664 -3.887 1.00 94.73 N1+ +ATOM 1102 CD2 HIS A 140 2.224 -0.977 -4.110 1.00 94.37 C +ATOM 1103 CE1 HIS A 140 0.912 -2.421 -3.091 1.00 93.98 C +ATOM 1104 NE2 HIS A 140 2.181 -2.022 -3.208 1.00 94.35 N +ATOM 1105 N ARG A 141 -1.933 -0.966 -7.105 1.00 95.83 N +ATOM 1106 CA ARG A 141 -3.132 -1.809 -7.216 1.00 95.69 C +ATOM 1107 C ARG A 141 -3.419 -2.728 -6.015 1.00 95.74 C +ATOM 1108 O ARG A 141 -4.384 -3.490 -6.058 1.00 95.20 O +ATOM 1109 CB ARG A 141 -3.117 -2.613 -8.528 1.00 95.13 C +ATOM 1110 CG ARG A 141 -3.065 -1.748 -9.780 1.00 93.60 C +ATOM 1111 CD ARG A 141 -2.874 -2.611 -11.032 1.00 92.23 C +ATOM 1112 NE ARG A 141 -3.918 -3.636 -11.138 1.00 89.60 N +ATOM 1113 CZ ARG A 141 -3.768 -4.935 -11.345 1.00 87.97 C +ATOM 1114 NH1 ARG A 141 -2.619 -5.486 -11.553 1.00 85.25 N +ATOM 1115 NH2 ARG A 141 -4.793 -5.704 -11.356 1.00 85.89 N1+ +ATOM 1116 N ASN A 142 -2.626 -2.680 -4.975 1.00 95.78 N +ATOM 1117 CA ASN A 142 -2.810 -3.516 -3.794 1.00 95.58 C +ATOM 1118 C ASN A 142 -2.398 -2.804 -2.489 1.00 95.75 C +ATOM 1119 O ASN A 142 -1.936 -3.446 -1.537 1.00 95.36 O +ATOM 1120 CB ASN A 142 -2.064 -4.834 -4.014 1.00 94.99 C +ATOM 1121 CG ASN A 142 -2.452 -5.939 -3.044 1.00 92.72 C +ATOM 1122 OD1 ASN A 142 -3.479 -5.926 -2.387 1.00 86.80 O +ATOM 1123 ND2 ASN A 142 -1.631 -6.957 -2.968 1.00 82.78 N +ATOM 1124 N LEU A 143 -2.551 -1.499 -2.442 1.00 96.08 N +ATOM 1125 CA LEU A 143 -2.263 -0.737 -1.235 1.00 96.07 C +ATOM 1126 C LEU A 143 -3.273 -1.097 -0.139 1.00 96.03 C +ATOM 1127 O LEU A 143 -4.480 -0.955 -0.315 1.00 95.67 O +ATOM 1128 CB LEU A 143 -2.253 0.759 -1.562 1.00 96.08 C +ATOM 1129 CG LEU A 143 -1.876 1.641 -0.357 1.00 95.84 C +ATOM 1130 CD1 LEU A 143 -1.951 3.117 -0.768 1.00 95.56 C +ATOM 1131 CD2 LEU A 143 -0.463 1.358 0.161 1.00 95.43 C +ATOM 1132 N ALA A 144 -2.774 -1.585 0.972 1.00 95.68 N +ATOM 1133 CA ALA A 144 -3.520 -2.007 2.141 1.00 95.56 C +ATOM 1134 C ALA A 144 -2.567 -2.121 3.337 1.00 95.66 C +ATOM 1135 O ALA A 144 -1.370 -2.343 3.138 1.00 95.36 O +ATOM 1136 CB ALA A 144 -4.161 -3.364 1.846 1.00 95.28 C +ATOM 1137 N ALA A 145 -3.064 -2.092 4.566 1.00 95.75 N +ATOM 1138 CA ALA A 145 -2.228 -2.174 5.768 1.00 95.74 C +ATOM 1139 C ALA A 145 -1.388 -3.460 5.848 1.00 95.83 C +ATOM 1140 O ALA A 145 -0.282 -3.448 6.377 1.00 95.55 O +ATOM 1141 CB ALA A 145 -3.134 -2.046 6.988 1.00 95.54 C +ATOM 1142 N ARG A 146 -1.866 -4.556 5.268 1.00 95.32 N +ATOM 1143 CA ARG A 146 -1.104 -5.822 5.154 1.00 95.02 C +ATOM 1144 C ARG A 146 0.149 -5.721 4.290 1.00 95.20 C +ATOM 1145 O ARG A 146 1.031 -6.558 4.436 1.00 94.57 O +ATOM 1146 CB ARG A 146 -2.023 -6.931 4.619 1.00 94.16 C +ATOM 1147 CG ARG A 146 -2.441 -6.707 3.156 1.00 89.63 C +ATOM 1148 CD ARG A 146 -3.314 -7.839 2.612 1.00 87.28 C +ATOM 1149 NE ARG A 146 -3.707 -7.546 1.229 1.00 81.96 N +ATOM 1150 CZ ARG A 146 -4.780 -6.863 0.834 1.00 78.83 C +ATOM 1151 NH1 ARG A 146 -5.683 -6.467 1.677 1.00 71.28 N +ATOM 1152 NH2 ARG A 146 -4.931 -6.562 -0.407 1.00 71.07 N1+ +ATOM 1153 N ASN A 147 0.196 -4.741 3.397 1.00 95.90 N +ATOM 1154 CA ASN A 147 1.295 -4.515 2.460 1.00 95.81 C +ATOM 1155 C ASN A 147 2.157 -3.308 2.843 1.00 95.92 C +ATOM 1156 O ASN A 147 3.044 -2.926 2.083 1.00 95.60 O +ATOM 1157 CB ASN A 147 0.714 -4.383 1.037 1.00 95.58 C +ATOM 1158 CG ASN A 147 0.046 -5.656 0.537 1.00 95.03 C +ATOM 1159 OD1 ASN A 147 0.241 -6.738 1.056 1.00 93.57 O +ATOM 1160 ND2 ASN A 147 -0.753 -5.560 -0.497 1.00 92.96 N +ATOM 1161 N VAL A 148 1.908 -2.717 3.986 1.00 96.29 N +ATOM 1162 CA VAL A 148 2.756 -1.697 4.580 1.00 96.28 C +ATOM 1163 C VAL A 148 3.504 -2.316 5.756 1.00 96.28 C +ATOM 1164 O VAL A 148 2.892 -2.803 6.706 1.00 96.04 O +ATOM 1165 CB VAL A 148 1.948 -0.463 4.994 1.00 96.24 C +ATOM 1166 CG1 VAL A 148 1.174 0.131 3.811 1.00 96.08 C +ATOM 1167 CG2 VAL A 148 2.894 0.621 5.528 1.00 96.15 C +ATOM 1168 N LEU A 149 4.810 -2.322 5.670 1.00 96.57 N +ATOM 1169 CA LEU A 149 5.703 -2.912 6.650 1.00 96.48 C +ATOM 1170 C LEU A 149 6.291 -1.833 7.556 1.00 96.56 C +ATOM 1171 O LEU A 149 6.555 -0.722 7.124 1.00 96.20 O +ATOM 1172 CB LEU A 149 6.807 -3.700 5.928 1.00 96.11 C +ATOM 1173 CG LEU A 149 6.318 -4.779 4.953 1.00 95.00 C +ATOM 1174 CD1 LEU A 149 7.527 -5.403 4.255 1.00 93.96 C +ATOM 1175 CD2 LEU A 149 5.556 -5.899 5.662 1.00 92.67 C +ATOM 1176 N LEU A 150 6.509 -2.172 8.802 1.00 96.10 N +ATOM 1177 CA LEU A 150 7.059 -1.284 9.814 1.00 95.95 C +ATOM 1178 C LEU A 150 8.514 -1.673 10.116 1.00 96.00 C +ATOM 1179 O LEU A 150 8.786 -2.770 10.618 1.00 95.49 O +ATOM 1180 CB LEU A 150 6.134 -1.356 11.044 1.00 95.37 C +ATOM 1181 CG LEU A 150 6.481 -0.371 12.151 1.00 92.64 C +ATOM 1182 CD1 LEU A 150 5.574 -0.624 13.360 1.00 90.56 C +ATOM 1183 CD2 LEU A 150 6.290 1.083 11.743 1.00 88.40 C +ATOM 1184 N ASP A 151 9.418 -0.764 9.818 1.00 95.05 N +ATOM 1185 CA ASP A 151 10.849 -0.969 10.047 1.00 94.84 C +ATOM 1186 C ASP A 151 11.236 -0.668 11.502 1.00 94.89 C +ATOM 1187 O ASP A 151 11.933 -1.440 12.163 1.00 94.10 O +ATOM 1188 CB ASP A 151 11.626 -0.087 9.068 1.00 93.86 C +ATOM 1189 CG ASP A 151 13.122 -0.378 9.036 1.00 90.73 C +ATOM 1190 OD1 ASP A 151 13.487 -1.576 9.122 1.00 85.99 O +ATOM 1191 OD2 ASP A 151 13.886 0.594 8.857 1.00 82.45 O +ATOM 1192 N ASN A 152 10.726 0.442 12.012 1.00 94.95 N +ATOM 1193 CA ASN A 152 10.834 0.848 13.396 1.00 94.78 C +ATOM 1194 C ASN A 152 9.609 1.672 13.795 1.00 94.85 C +ATOM 1195 O ASN A 152 8.696 1.855 12.979 1.00 94.37 O +ATOM 1196 CB ASN A 152 12.162 1.611 13.600 1.00 94.39 C +ATOM 1197 CG ASN A 152 12.266 2.865 12.761 1.00 93.73 C +ATOM 1198 OD1 ASN A 152 11.508 3.811 12.948 1.00 91.71 O +ATOM 1199 ND2 ASN A 152 13.188 2.917 11.835 1.00 90.70 N +ATOM 1200 N ASP A 153 9.555 2.188 14.995 1.00 93.51 N +ATOM 1201 CA ASP A 153 8.400 2.938 15.518 1.00 93.40 C +ATOM 1202 C ASP A 153 8.058 4.216 14.734 1.00 93.73 C +ATOM 1203 O ASP A 153 6.983 4.786 14.957 1.00 92.46 O +ATOM 1204 CB ASP A 153 8.653 3.241 16.993 1.00 91.81 C +ATOM 1205 CG ASP A 153 9.809 4.203 17.266 1.00 85.89 C +ATOM 1206 OD1 ASP A 153 10.795 4.204 16.498 1.00 77.10 O +ATOM 1207 OD2 ASP A 153 9.719 4.986 18.256 1.00 74.75 O +ATOM 1208 N ARG A 154 8.900 4.656 13.825 1.00 93.36 N +ATOM 1209 CA ARG A 154 8.730 5.893 13.037 1.00 93.05 C +ATOM 1210 C ARG A 154 8.829 5.699 11.527 1.00 93.76 C +ATOM 1211 O ARG A 154 8.696 6.694 10.817 1.00 92.36 O +ATOM 1212 CB ARG A 154 9.747 6.948 13.499 1.00 90.71 C +ATOM 1213 CG ARG A 154 9.530 7.341 14.956 1.00 80.93 C +ATOM 1214 CD ARG A 154 10.490 8.483 15.323 1.00 73.13 C +ATOM 1215 NE ARG A 154 10.327 8.837 16.728 1.00 66.60 N +ATOM 1216 CZ ARG A 154 10.880 9.862 17.346 1.00 58.87 C +ATOM 1217 NH1 ARG A 154 11.656 10.687 16.705 1.00 52.11 N +ATOM 1218 NH2 ARG A 154 10.669 10.079 18.628 1.00 49.05 N1+ +ATOM 1219 N LEU A 155 9.081 4.517 11.032 1.00 96.04 N +ATOM 1220 CA LEU A 155 9.364 4.305 9.609 1.00 96.07 C +ATOM 1221 C LEU A 155 8.558 3.142 9.040 1.00 96.26 C +ATOM 1222 O LEU A 155 8.766 1.994 9.423 1.00 95.86 O +ATOM 1223 CB LEU A 155 10.868 4.102 9.417 1.00 95.66 C +ATOM 1224 CG LEU A 155 11.307 3.949 7.952 1.00 94.30 C +ATOM 1225 CD1 LEU A 155 12.809 3.693 7.880 1.00 93.41 C +ATOM 1226 CD2 LEU A 155 11.012 5.193 7.130 1.00 92.09 C +ATOM 1227 N VAL A 156 7.706 3.437 8.068 1.00 96.44 N +ATOM 1228 CA VAL A 156 6.981 2.444 7.295 1.00 96.48 C +ATOM 1229 C VAL A 156 7.498 2.355 5.867 1.00 96.56 C +ATOM 1230 O VAL A 156 8.013 3.324 5.308 1.00 96.21 O +ATOM 1231 CB VAL A 156 5.462 2.676 7.305 1.00 96.17 C +ATOM 1232 CG1 VAL A 156 4.896 2.532 8.720 1.00 95.19 C +ATOM 1233 CG2 VAL A 156 5.040 4.025 6.724 1.00 94.81 C +ATOM 1234 N LYS A 157 7.324 1.188 5.282 1.00 96.64 N +ATOM 1235 CA LYS A 157 7.704 0.899 3.898 1.00 96.52 C +ATOM 1236 C LYS A 157 6.596 0.127 3.187 1.00 96.60 C +ATOM 1237 O LYS A 157 6.097 -0.866 3.709 1.00 96.29 O +ATOM 1238 CB LYS A 157 9.012 0.103 3.861 1.00 96.20 C +ATOM 1239 CG LYS A 157 10.157 0.873 4.545 1.00 95.46 C +ATOM 1240 CD LYS A 157 11.491 0.182 4.331 1.00 94.70 C +ATOM 1241 CE LYS A 157 12.578 0.996 5.058 1.00 93.25 C +ATOM 1242 NZ LYS A 157 13.930 0.593 4.623 1.00 91.35 N1+ +ATOM 1243 N ILE A 158 6.262 0.561 1.997 1.00 96.40 N +ATOM 1244 CA ILE A 158 5.304 -0.123 1.133 1.00 96.44 C +ATOM 1245 C ILE A 158 5.991 -1.341 0.516 1.00 96.47 C +ATOM 1246 O ILE A 158 7.116 -1.251 0.022 1.00 96.24 O +ATOM 1247 CB ILE A 158 4.751 0.835 0.063 1.00 96.37 C +ATOM 1248 CG1 ILE A 158 4.094 2.066 0.717 1.00 96.05 C +ATOM 1249 CG2 ILE A 158 3.735 0.112 -0.839 1.00 96.01 C +ATOM 1250 CD1 ILE A 158 3.861 3.211 -0.266 1.00 95.40 C +ATOM 1251 N GLY A 159 5.306 -2.469 0.535 1.00 95.56 N +ATOM 1252 CA GLY A 159 5.747 -3.715 -0.079 1.00 95.27 C +ATOM 1253 C GLY A 159 4.683 -4.348 -0.969 1.00 95.42 C +ATOM 1254 O GLY A 159 3.648 -3.752 -1.266 1.00 94.66 O +ATOM 1255 N ASP A 160 4.931 -5.563 -1.378 1.00 94.25 N +ATOM 1256 CA ASP A 160 4.092 -6.403 -2.242 1.00 94.13 C +ATOM 1257 C ASP A 160 3.682 -5.758 -3.574 1.00 94.41 C +ATOM 1258 O ASP A 160 2.513 -5.496 -3.857 1.00 93.35 O +ATOM 1259 CB ASP A 160 2.914 -7.019 -1.481 1.00 92.67 C +ATOM 1260 CG ASP A 160 2.300 -8.191 -2.254 1.00 85.88 C +ATOM 1261 OD1 ASP A 160 2.860 -8.632 -3.280 1.00 73.67 O +ATOM 1262 OD2 ASP A 160 1.262 -8.703 -1.811 1.00 71.46 O +ATOM 1263 N PHE A 161 4.653 -5.589 -4.436 1.00 95.12 N +ATOM 1264 CA PHE A 161 4.463 -5.066 -5.792 1.00 95.11 C +ATOM 1265 C PHE A 161 3.918 -6.113 -6.784 1.00 95.01 C +ATOM 1266 O PHE A 161 3.962 -5.898 -7.994 1.00 93.86 O +ATOM 1267 CB PHE A 161 5.760 -4.412 -6.252 1.00 94.70 C +ATOM 1268 CG PHE A 161 6.073 -3.150 -5.479 1.00 94.72 C +ATOM 1269 CD1 PHE A 161 5.649 -1.905 -5.974 1.00 93.51 C +ATOM 1270 CD2 PHE A 161 6.731 -3.216 -4.241 1.00 93.29 C +ATOM 1271 CE1 PHE A 161 5.854 -0.740 -5.221 1.00 92.19 C +ATOM 1272 CE2 PHE A 161 6.937 -2.054 -3.480 1.00 92.49 C +ATOM 1273 CZ PHE A 161 6.493 -0.817 -3.971 1.00 92.76 C +ATOM 1274 N GLY A 162 3.373 -7.215 -6.300 1.00 94.59 N +ATOM 1275 CA GLY A 162 2.880 -8.314 -7.144 1.00 94.33 C +ATOM 1276 C GLY A 162 1.759 -7.932 -8.108 1.00 94.62 C +ATOM 1277 O GLY A 162 1.649 -8.505 -9.191 1.00 93.82 O +ATOM 1278 N LEU A 163 0.947 -6.952 -7.761 1.00 95.00 N +ATOM 1279 CA LEU A 163 -0.101 -6.407 -8.625 1.00 95.10 C +ATOM 1280 C LEU A 163 0.307 -5.101 -9.320 1.00 95.14 C +ATOM 1281 O LEU A 163 -0.456 -4.620 -10.158 1.00 94.59 O +ATOM 1282 CB LEU A 163 -1.395 -6.226 -7.826 1.00 94.85 C +ATOM 1283 CG LEU A 163 -2.053 -7.535 -7.363 1.00 94.13 C +ATOM 1284 CD1 LEU A 163 -3.354 -7.215 -6.614 1.00 93.44 C +ATOM 1285 CD2 LEU A 163 -2.423 -8.425 -8.551 1.00 92.71 C +ATOM 1286 N ALA A 164 1.443 -4.528 -8.996 1.00 95.59 N +ATOM 1287 CA ALA A 164 1.868 -3.262 -9.551 1.00 95.52 C +ATOM 1288 C ALA A 164 2.020 -3.338 -11.078 1.00 95.59 C +ATOM 1289 O ALA A 164 2.425 -4.355 -11.637 1.00 94.97 O +ATOM 1290 CB ALA A 164 3.156 -2.802 -8.859 1.00 95.11 C +ATOM 1291 N LYS A 165 1.677 -2.253 -11.747 1.00 95.15 N +ATOM 1292 CA LYS A 165 1.761 -2.153 -13.209 1.00 94.91 C +ATOM 1293 C LYS A 165 2.303 -0.790 -13.618 1.00 95.20 C +ATOM 1294 O LYS A 165 1.964 0.214 -13.019 1.00 94.71 O +ATOM 1295 CB LYS A 165 0.385 -2.379 -13.841 1.00 94.04 C +ATOM 1296 CG LYS A 165 -0.154 -3.812 -13.678 1.00 89.56 C +ATOM 1297 CD LYS A 165 0.709 -4.870 -14.362 1.00 85.41 C +ATOM 1298 CE LYS A 165 0.134 -6.264 -14.098 1.00 78.71 C +ATOM 1299 NZ LYS A 165 1.016 -7.305 -14.677 1.00 72.10 N1+ +ATOM 1300 N ALA A 166 3.086 -0.782 -14.678 1.00 94.76 N +ATOM 1301 CA ALA A 166 3.420 0.439 -15.367 1.00 94.68 C +ATOM 1302 C ALA A 166 2.184 0.972 -16.103 1.00 94.66 C +ATOM 1303 O ALA A 166 1.464 0.203 -16.765 1.00 93.87 O +ATOM 1304 CB ALA A 166 4.582 0.163 -16.325 1.00 94.02 C +ATOM 1305 N VAL A 167 1.957 2.256 -16.027 1.00 92.95 N +ATOM 1306 CA VAL A 167 0.974 2.930 -16.856 1.00 92.70 C +ATOM 1307 C VAL A 167 1.618 3.183 -18.210 1.00 92.52 C +ATOM 1308 O VAL A 167 2.667 3.808 -18.268 1.00 91.53 O +ATOM 1309 CB VAL A 167 0.480 4.235 -16.213 1.00 92.04 C +ATOM 1310 CG1 VAL A 167 -0.129 3.957 -14.847 1.00 90.68 C +ATOM 1311 CG2 VAL A 167 -0.594 4.899 -17.087 1.00 90.92 C +ATOM 1312 N PRO A 168 1.024 2.715 -19.309 1.00 89.79 N +ATOM 1313 CA PRO A 168 1.592 2.943 -20.629 1.00 89.11 C +ATOM 1314 C PRO A 168 1.665 4.437 -20.943 1.00 89.02 C +ATOM 1315 O PRO A 168 0.766 5.198 -20.592 1.00 87.70 O +ATOM 1316 CB PRO A 168 0.687 2.194 -21.615 1.00 87.68 C +ATOM 1317 CG PRO A 168 -0.003 1.139 -20.752 1.00 86.11 C +ATOM 1318 CD PRO A 168 -0.133 1.825 -19.403 1.00 87.52 C +ATOM 1319 N GLU A 169 2.701 4.832 -21.623 1.00 86.65 N +ATOM 1320 CA GLU A 169 2.865 6.231 -22.019 1.00 86.19 C +ATOM 1321 C GLU A 169 1.670 6.726 -22.828 1.00 86.31 C +ATOM 1322 O GLU A 169 1.127 6.009 -23.677 1.00 82.37 O +ATOM 1323 CB GLU A 169 4.186 6.379 -22.803 1.00 82.99 C +ATOM 1324 CG GLU A 169 4.560 7.837 -23.007 1.00 76.01 C +ATOM 1325 CD GLU A 169 5.916 8.022 -23.683 1.00 70.39 C +ATOM 1326 OE1 GLU A 169 6.400 9.170 -23.692 1.00 60.90 O +ATOM 1327 OE2 GLU A 169 6.476 7.028 -24.185 1.00 59.26 O +ATOM 1328 N GLY A 170 1.221 7.928 -22.528 1.00 86.71 N +ATOM 1329 CA GLY A 170 0.036 8.511 -23.144 1.00 86.54 C +ATOM 1330 C GLY A 170 -1.297 7.949 -22.658 1.00 87.32 C +ATOM 1331 O GLY A 170 -2.342 8.320 -23.192 1.00 85.49 O +ATOM 1332 N HIS A 171 -1.298 7.076 -21.654 1.00 87.24 N +ATOM 1333 CA HIS A 171 -2.504 6.549 -21.023 1.00 87.36 C +ATOM 1334 C HIS A 171 -2.654 7.073 -19.603 1.00 88.18 C +ATOM 1335 O HIS A 171 -1.683 7.330 -18.906 1.00 86.46 O +ATOM 1336 CB HIS A 171 -2.486 5.019 -21.044 1.00 86.22 C +ATOM 1337 CG HIS A 171 -2.583 4.414 -22.420 1.00 86.21 C +ATOM 1338 ND1 HIS A 171 -1.564 4.392 -23.359 1.00 77.50 N1+ +ATOM 1339 CD2 HIS A 171 -3.666 3.818 -22.993 1.00 77.59 C +ATOM 1340 CE1 HIS A 171 -2.018 3.788 -24.452 1.00 76.80 C +ATOM 1341 NE2 HIS A 171 -3.304 3.413 -24.286 1.00 79.30 N +ATOM 1342 N GLU A 172 -3.878 7.199 -19.167 1.00 89.34 N +ATOM 1343 CA GLU A 172 -4.206 7.602 -17.804 1.00 89.29 C +ATOM 1344 C GLU A 172 -4.478 6.434 -16.877 1.00 90.15 C +ATOM 1345 O GLU A 172 -4.508 6.588 -15.649 1.00 87.98 O +ATOM 1346 CB GLU A 172 -5.412 8.547 -17.835 1.00 86.52 C +ATOM 1347 CG GLU A 172 -5.125 9.823 -18.613 1.00 79.58 C +ATOM 1348 CD GLU A 172 -6.299 10.816 -18.606 1.00 76.59 C +ATOM 1349 OE1 GLU A 172 -6.071 11.989 -18.999 1.00 64.69 O +ATOM 1350 OE2 GLU A 172 -7.424 10.408 -18.223 1.00 62.60 O +ATOM 1351 N TYR A 173 -4.680 5.260 -17.436 1.00 91.14 N +ATOM 1352 CA TYR A 173 -5.030 4.059 -16.676 1.00 91.80 C +ATOM 1353 C TYR A 173 -4.407 2.792 -17.262 1.00 92.04 C +ATOM 1354 O TYR A 173 -4.061 2.695 -18.422 1.00 90.44 O +ATOM 1355 CB TYR A 173 -6.553 3.926 -16.601 1.00 90.74 C +ATOM 1356 CG TYR A 173 -7.249 3.691 -17.935 1.00 91.08 C +ATOM 1357 CD1 TYR A 173 -7.740 4.768 -18.682 1.00 89.88 C +ATOM 1358 CD2 TYR A 173 -7.421 2.387 -18.444 1.00 89.99 C +ATOM 1359 CE1 TYR A 173 -8.372 4.557 -19.929 1.00 88.98 C +ATOM 1360 CE2 TYR A 173 -8.054 2.154 -19.681 1.00 89.26 C +ATOM 1361 CZ TYR A 173 -8.527 3.246 -20.410 1.00 89.59 C +ATOM 1362 OH TYR A 173 -9.134 3.026 -21.611 1.00 87.16 O +ATOM 1363 N TYR A 174 -4.347 1.781 -16.428 1.00 92.26 N +ATOM 1364 CA TYR A 174 -4.091 0.405 -16.825 1.00 92.27 C +ATOM 1365 C TYR A 174 -5.396 -0.389 -16.810 1.00 92.33 C +ATOM 1366 O TYR A 174 -6.217 -0.223 -15.919 1.00 91.21 O +ATOM 1367 CB TYR A 174 -3.042 -0.194 -15.879 1.00 91.17 C +ATOM 1368 CG TYR A 174 -2.732 -1.637 -16.188 1.00 89.83 C +ATOM 1369 CD1 TYR A 174 -1.850 -1.958 -17.233 1.00 87.66 C +ATOM 1370 CD2 TYR A 174 -3.357 -2.672 -15.465 1.00 86.77 C +ATOM 1371 CE1 TYR A 174 -1.593 -3.300 -17.569 1.00 85.10 C +ATOM 1372 CE2 TYR A 174 -3.108 -4.012 -15.784 1.00 85.98 C +ATOM 1373 CZ TYR A 174 -2.223 -4.320 -16.845 1.00 85.69 C +ATOM 1374 OH TYR A 174 -1.968 -5.635 -17.161 1.00 83.37 O +ATOM 1375 N ARG A 175 -5.606 -1.269 -17.773 1.00 91.12 N +ATOM 1376 CA ARG A 175 -6.787 -2.144 -17.821 1.00 90.81 C +ATOM 1377 C ARG A 175 -6.389 -3.587 -17.576 1.00 90.68 C +ATOM 1378 O ARG A 175 -5.536 -4.115 -18.278 1.00 89.54 O +ATOM 1379 CB ARG A 175 -7.545 -1.973 -19.137 1.00 89.92 C +ATOM 1380 CG ARG A 175 -8.935 -2.586 -19.068 1.00 86.21 C +ATOM 1381 CD ARG A 175 -9.695 -2.327 -20.374 1.00 85.43 C +ATOM 1382 NE ARG A 175 -11.091 -1.943 -20.119 1.00 81.69 N +ATOM 1383 CZ ARG A 175 -11.979 -1.554 -21.003 1.00 79.80 C +ATOM 1384 NH1 ARG A 175 -11.714 -1.564 -22.266 1.00 73.91 N +ATOM 1385 NH2 ARG A 175 -13.141 -1.126 -20.624 1.00 74.47 N1+ +ATOM 1386 N VAL A 176 -7.026 -4.209 -16.603 1.00 87.35 N +ATOM 1387 CA VAL A 176 -6.836 -5.633 -16.337 1.00 86.91 C +ATOM 1388 C VAL A 176 -7.733 -6.456 -17.258 1.00 86.54 C +ATOM 1389 O VAL A 176 -8.846 -6.068 -17.556 1.00 83.68 O +ATOM 1390 CB VAL A 176 -7.086 -5.940 -14.852 1.00 84.86 C +ATOM 1391 CG1 VAL A 176 -6.129 -5.139 -13.995 1.00 82.92 C +ATOM 1392 CG2 VAL A 176 -6.861 -7.416 -14.511 1.00 82.16 C +ATOM 1393 N ARG A 177 -7.226 -7.578 -17.675 1.00 79.66 N +ATOM 1394 CA ARG A 177 -7.965 -8.522 -18.533 1.00 78.84 C +ATOM 1395 C ARG A 177 -8.176 -9.898 -17.920 1.00 79.13 C +ATOM 1396 O ARG A 177 -8.783 -10.753 -18.559 1.00 72.65 O +ATOM 1397 CB ARG A 177 -7.255 -8.660 -19.890 1.00 74.05 C +ATOM 1398 CG ARG A 177 -7.219 -7.371 -20.706 1.00 67.41 C +ATOM 1399 CD ARG A 177 -6.611 -7.657 -22.068 1.00 62.80 C +ATOM 1400 NE ARG A 177 -6.526 -6.443 -22.894 1.00 57.52 N +ATOM 1401 CZ ARG A 177 -6.094 -6.386 -24.134 1.00 49.84 C +ATOM 1402 NH1 ARG A 177 -5.682 -7.460 -24.747 1.00 48.61 N +ATOM 1403 NH2 ARG A 177 -6.055 -5.254 -24.780 1.00 44.64 N1+ +ATOM 1404 N GLU A 178 -7.627 -10.105 -16.754 1.00 74.64 N +ATOM 1405 CA GLU A 178 -7.566 -11.402 -16.108 1.00 72.63 C +ATOM 1406 C GLU A 178 -8.393 -11.379 -14.837 1.00 72.83 C +ATOM 1407 O GLU A 178 -8.251 -10.468 -14.012 1.00 67.86 O +ATOM 1408 CB GLU A 178 -6.102 -11.728 -15.794 1.00 68.10 C +ATOM 1409 CG GLU A 178 -5.271 -11.854 -17.069 1.00 62.60 C +ATOM 1410 CD GLU A 178 -3.770 -11.982 -16.801 1.00 58.59 C +ATOM 1411 OE1 GLU A 178 -2.981 -11.835 -17.783 1.00 50.43 O +ATOM 1412 OE2 GLU A 178 -3.373 -12.242 -15.656 1.00 48.22 O +ATOM 1413 N ASP A 179 -9.230 -12.374 -14.660 1.00 71.86 N +ATOM 1414 CA ASP A 179 -9.885 -12.665 -13.410 1.00 71.62 C +ATOM 1415 C ASP A 179 -8.869 -13.310 -12.450 1.00 72.23 C +ATOM 1416 O ASP A 179 -8.049 -14.132 -12.848 1.00 67.63 O +ATOM 1417 CB ASP A 179 -11.103 -13.567 -13.632 1.00 67.59 C +ATOM 1418 CG ASP A 179 -12.226 -12.852 -14.377 1.00 64.58 C +ATOM 1419 OD1 ASP A 179 -12.379 -11.627 -14.182 1.00 56.28 O +ATOM 1420 OD2 ASP A 179 -12.910 -13.538 -15.130 1.00 56.13 O +ATOM 1421 N GLY A 180 -8.941 -12.945 -11.196 1.00 74.14 N +ATOM 1422 CA GLY A 180 -8.090 -13.511 -10.168 1.00 73.28 C +ATOM 1423 C GLY A 180 -8.464 -12.981 -8.796 1.00 74.71 C +ATOM 1424 O GLY A 180 -9.304 -12.085 -8.660 1.00 70.48 O +ATOM 1425 N ASP A 181 -7.822 -13.480 -7.774 1.00 78.75 N +ATOM 1426 CA ASP A 181 -8.005 -13.017 -6.411 1.00 79.59 C +ATOM 1427 C ASP A 181 -7.564 -11.552 -6.285 1.00 80.90 C +ATOM 1428 O ASP A 181 -6.385 -11.229 -6.173 1.00 78.05 O +ATOM 1429 CB ASP A 181 -7.263 -13.925 -5.419 1.00 76.29 C +ATOM 1430 CG ASP A 181 -7.979 -15.247 -5.180 1.00 72.87 C +ATOM 1431 OD1 ASP A 181 -9.192 -15.315 -5.410 1.00 66.67 O +ATOM 1432 OD2 ASP A 181 -7.285 -16.184 -4.720 1.00 67.13 O +ATOM 1433 N SER A 182 -8.536 -10.691 -6.335 1.00 88.54 N +ATOM 1434 CA SER A 182 -8.357 -9.252 -6.262 1.00 88.90 C +ATOM 1435 C SER A 182 -8.814 -8.739 -4.888 1.00 89.36 C +ATOM 1436 O SER A 182 -9.852 -9.179 -4.393 1.00 88.26 O +ATOM 1437 CB SER A 182 -9.127 -8.573 -7.375 1.00 87.60 C +ATOM 1438 OG SER A 182 -8.536 -8.882 -8.638 1.00 83.68 O +ATOM 1439 N PRO A 183 -8.123 -7.790 -4.292 1.00 92.93 N +ATOM 1440 CA PRO A 183 -8.506 -7.191 -3.016 1.00 92.93 C +ATOM 1441 C PRO A 183 -9.684 -6.215 -3.203 1.00 93.27 C +ATOM 1442 O PRO A 183 -9.540 -5.014 -3.005 1.00 92.54 O +ATOM 1443 CB PRO A 183 -7.224 -6.543 -2.488 1.00 92.14 C +ATOM 1444 CG PRO A 183 -6.511 -6.090 -3.764 1.00 90.89 C +ATOM 1445 CD PRO A 183 -6.841 -7.229 -4.734 1.00 92.27 C +ATOM 1446 N VAL A 184 -10.840 -6.727 -3.572 1.00 95.10 N +ATOM 1447 CA VAL A 184 -12.010 -5.957 -4.018 1.00 95.11 C +ATOM 1448 C VAL A 184 -12.488 -4.924 -2.997 1.00 95.23 C +ATOM 1449 O VAL A 184 -12.896 -3.837 -3.387 1.00 94.76 O +ATOM 1450 CB VAL A 184 -13.167 -6.880 -4.424 1.00 94.57 C +ATOM 1451 CG1 VAL A 184 -12.762 -7.729 -5.640 1.00 93.15 C +ATOM 1452 CG2 VAL A 184 -13.638 -7.795 -3.298 1.00 92.87 C +ATOM 1453 N PHE A 185 -12.358 -5.203 -1.719 1.00 94.99 N +ATOM 1454 CA PHE A 185 -12.761 -4.269 -0.659 1.00 95.10 C +ATOM 1455 C PHE A 185 -11.862 -3.027 -0.537 1.00 95.15 C +ATOM 1456 O PHE A 185 -12.231 -2.074 0.141 1.00 94.81 O +ATOM 1457 CB PHE A 185 -12.834 -5.020 0.672 1.00 95.01 C +ATOM 1458 CG PHE A 185 -13.797 -6.182 0.648 1.00 95.03 C +ATOM 1459 CD1 PHE A 185 -15.187 -5.958 0.563 1.00 94.48 C +ATOM 1460 CD2 PHE A 185 -13.326 -7.506 0.704 1.00 94.47 C +ATOM 1461 CE1 PHE A 185 -16.066 -7.032 0.569 1.00 93.82 C +ATOM 1462 CE2 PHE A 185 -14.215 -8.579 0.710 1.00 93.77 C +ATOM 1463 CZ PHE A 185 -15.581 -8.347 0.641 1.00 93.80 C +ATOM 1464 N TRP A 186 -10.747 -3.015 -1.206 1.00 94.95 N +ATOM 1465 CA TRP A 186 -9.882 -1.842 -1.355 1.00 94.97 C +ATOM 1466 C TRP A 186 -10.042 -1.151 -2.714 1.00 95.03 C +ATOM 1467 O TRP A 186 -9.380 -0.148 -2.965 1.00 94.87 O +ATOM 1468 CB TRP A 186 -8.420 -2.229 -1.119 1.00 95.02 C +ATOM 1469 CG TRP A 186 -8.075 -2.513 0.314 1.00 95.22 C +ATOM 1470 CD1 TRP A 186 -7.419 -1.679 1.148 1.00 95.05 C +ATOM 1471 CD2 TRP A 186 -8.394 -3.720 1.093 1.00 95.21 C +ATOM 1472 NE1 TRP A 186 -7.311 -2.272 2.412 1.00 94.85 N +ATOM 1473 CE2 TRP A 186 -7.915 -3.513 2.409 1.00 94.93 C +ATOM 1474 CE3 TRP A 186 -9.049 -4.943 0.822 1.00 94.88 C +ATOM 1475 CZ2 TRP A 186 -8.080 -4.476 3.446 1.00 94.49 C +ATOM 1476 CZ3 TRP A 186 -9.214 -5.905 1.848 1.00 94.57 C +ATOM 1477 CH2 TRP A 186 -8.729 -5.661 3.149 1.00 94.41 C +ATOM 1478 N TYR A 187 -10.875 -1.685 -3.592 1.00 95.63 N +ATOM 1479 CA TYR A 187 -10.982 -1.187 -4.955 1.00 95.56 C +ATOM 1480 C TYR A 187 -12.051 -0.108 -5.107 1.00 95.76 C +ATOM 1481 O TYR A 187 -13.142 -0.212 -4.574 1.00 95.38 O +ATOM 1482 CB TYR A 187 -11.203 -2.349 -5.934 1.00 95.15 C +ATOM 1483 CG TYR A 187 -9.978 -3.176 -6.280 1.00 94.25 C +ATOM 1484 CD1 TYR A 187 -8.696 -2.899 -5.763 1.00 93.03 C +ATOM 1485 CD2 TYR A 187 -10.118 -4.229 -7.192 1.00 92.26 C +ATOM 1486 CE1 TYR A 187 -7.580 -3.658 -6.141 1.00 91.88 C +ATOM 1487 CE2 TYR A 187 -9.012 -4.998 -7.588 1.00 91.63 C +ATOM 1488 CZ TYR A 187 -7.743 -4.712 -7.063 1.00 91.75 C +ATOM 1489 OH TYR A 187 -6.649 -5.455 -7.439 1.00 91.36 O +ATOM 1490 N ALA A 188 -11.717 0.892 -5.899 1.00 95.51 N +ATOM 1491 CA ALA A 188 -12.621 1.927 -6.348 1.00 95.47 C +ATOM 1492 C ALA A 188 -13.674 1.390 -7.347 1.00 95.52 C +ATOM 1493 O ALA A 188 -13.430 0.371 -7.998 1.00 95.36 O +ATOM 1494 CB ALA A 188 -11.779 3.032 -6.964 1.00 95.35 C +ATOM 1495 N PRO A 189 -14.778 2.079 -7.547 1.00 95.03 N +ATOM 1496 CA PRO A 189 -15.845 1.654 -8.470 1.00 94.83 C +ATOM 1497 C PRO A 189 -15.359 1.344 -9.890 1.00 94.88 C +ATOM 1498 O PRO A 189 -15.730 0.321 -10.451 1.00 94.58 O +ATOM 1499 CB PRO A 189 -16.855 2.800 -8.473 1.00 94.53 C +ATOM 1500 CG PRO A 189 -16.698 3.393 -7.077 1.00 93.75 C +ATOM 1501 CD PRO A 189 -15.215 3.265 -6.806 1.00 94.52 C +ATOM 1502 N GLU A 190 -14.482 2.156 -10.452 1.00 94.78 N +ATOM 1503 CA GLU A 190 -13.946 1.929 -11.806 1.00 94.74 C +ATOM 1504 C GLU A 190 -13.100 0.655 -11.913 1.00 94.64 C +ATOM 1505 O GLU A 190 -13.033 0.056 -12.981 1.00 94.08 O +ATOM 1506 CB GLU A 190 -13.150 3.155 -12.282 1.00 94.50 C +ATOM 1507 CG GLU A 190 -11.805 3.436 -11.593 1.00 93.70 C +ATOM 1508 CD GLU A 190 -11.865 4.157 -10.234 1.00 93.64 C +ATOM 1509 OE1 GLU A 190 -10.800 4.407 -9.647 1.00 87.14 O +ATOM 1510 OE2 GLU A 190 -12.962 4.507 -9.772 1.00 85.89 O +ATOM 1511 N CYS A 191 -12.490 0.208 -10.822 1.00 95.13 N +ATOM 1512 CA CYS A 191 -11.755 -1.046 -10.776 1.00 94.98 C +ATOM 1513 C CYS A 191 -12.703 -2.244 -10.755 1.00 94.93 C +ATOM 1514 O CYS A 191 -12.456 -3.240 -11.428 1.00 94.44 O +ATOM 1515 CB CYS A 191 -10.850 -1.084 -9.543 1.00 94.81 C +ATOM 1516 SG CYS A 191 -9.750 0.345 -9.435 1.00 94.25 S +ATOM 1517 N LEU A 192 -13.786 -2.134 -10.012 1.00 94.46 N +ATOM 1518 CA LEU A 192 -14.792 -3.189 -9.877 1.00 94.37 C +ATOM 1519 C LEU A 192 -15.633 -3.365 -11.133 1.00 94.32 C +ATOM 1520 O LEU A 192 -15.937 -4.488 -11.515 1.00 93.92 O +ATOM 1521 CB LEU A 192 -15.692 -2.861 -8.672 1.00 94.30 C +ATOM 1522 CG LEU A 192 -14.998 -2.811 -7.303 1.00 93.85 C +ATOM 1523 CD1 LEU A 192 -16.011 -2.375 -6.235 1.00 93.14 C +ATOM 1524 CD2 LEU A 192 -14.438 -4.179 -6.897 1.00 92.95 C +ATOM 1525 N LYS A 193 -16.020 -2.259 -11.745 1.00 94.06 N +ATOM 1526 CA LYS A 193 -16.994 -2.223 -12.840 1.00 93.74 C +ATOM 1527 C LYS A 193 -16.363 -2.272 -14.229 1.00 93.79 C +ATOM 1528 O LYS A 193 -16.869 -2.901 -15.118 1.00 92.79 O +ATOM 1529 CB LYS A 193 -17.847 -0.968 -12.654 1.00 92.80 C +ATOM 1530 CG LYS A 193 -19.087 -0.949 -13.514 1.00 88.16 C +ATOM 1531 CD LYS A 193 -19.933 0.283 -13.152 1.00 85.86 C +ATOM 1532 CE LYS A 193 -21.263 0.297 -13.907 1.00 78.95 C +ATOM 1533 NZ LYS A 193 -22.141 1.384 -13.374 1.00 73.42 N1+ +ATOM 1534 N GLU A 194 -15.238 -1.604 -14.396 1.00 93.61 N +ATOM 1535 CA GLU A 194 -14.600 -1.409 -15.700 1.00 93.38 C +ATOM 1536 C GLU A 194 -13.210 -2.039 -15.826 1.00 93.66 C +ATOM 1537 O GLU A 194 -12.606 -1.973 -16.894 1.00 92.29 O +ATOM 1538 CB GLU A 194 -14.498 0.090 -16.008 1.00 92.04 C +ATOM 1539 CG GLU A 194 -15.863 0.808 -16.004 1.00 85.06 C +ATOM 1540 CD GLU A 194 -15.729 2.273 -16.414 1.00 79.05 C +ATOM 1541 OE1 GLU A 194 -16.735 2.958 -16.404 1.00 67.74 O +ATOM 1542 OE2 GLU A 194 -14.607 2.693 -16.819 1.00 64.96 O +ATOM 1543 N TYR A 195 -12.717 -2.611 -14.786 1.00 93.09 N +ATOM 1544 CA TYR A 195 -11.359 -3.166 -14.698 1.00 92.93 C +ATOM 1545 C TYR A 195 -10.249 -2.146 -15.017 1.00 93.25 C +ATOM 1546 O TYR A 195 -9.144 -2.511 -15.436 1.00 92.06 O +ATOM 1547 CB TYR A 195 -11.249 -4.452 -15.505 1.00 91.65 C +ATOM 1548 CG TYR A 195 -12.268 -5.501 -15.126 1.00 88.88 C +ATOM 1549 CD1 TYR A 195 -11.959 -6.442 -14.125 1.00 85.07 C +ATOM 1550 CD2 TYR A 195 -13.527 -5.543 -15.768 1.00 82.63 C +ATOM 1551 CE1 TYR A 195 -12.903 -7.424 -13.771 1.00 78.00 C +ATOM 1552 CE2 TYR A 195 -14.470 -6.523 -15.397 1.00 79.15 C +ATOM 1553 CZ TYR A 195 -14.154 -7.458 -14.405 1.00 78.12 C +ATOM 1554 OH TYR A 195 -15.074 -8.428 -14.056 1.00 76.36 O +ATOM 1555 N LYS A 196 -10.551 -0.875 -14.818 1.00 93.88 N +ATOM 1556 CA LYS A 196 -9.609 0.228 -15.023 1.00 93.59 C +ATOM 1557 C LYS A 196 -8.952 0.640 -13.717 1.00 93.75 C +ATOM 1558 O LYS A 196 -9.623 0.839 -12.718 1.00 92.87 O +ATOM 1559 CB LYS A 196 -10.327 1.429 -15.645 1.00 92.82 C +ATOM 1560 CG LYS A 196 -10.781 1.199 -17.084 1.00 89.64 C +ATOM 1561 CD LYS A 196 -11.532 2.455 -17.549 1.00 86.90 C +ATOM 1562 CE LYS A 196 -12.205 2.287 -18.909 1.00 82.24 C +ATOM 1563 NZ LYS A 196 -13.243 3.328 -19.082 1.00 77.48 N1+ +ATOM 1564 N PHE A 197 -7.663 0.819 -13.760 1.00 93.81 N +ATOM 1565 CA PHE A 197 -6.851 1.260 -12.631 1.00 93.98 C +ATOM 1566 C PHE A 197 -6.135 2.548 -12.996 1.00 93.93 C +ATOM 1567 O PHE A 197 -5.216 2.549 -13.816 1.00 92.60 O +ATOM 1568 CB PHE A 197 -5.862 0.170 -12.235 1.00 92.98 C +ATOM 1569 CG PHE A 197 -6.525 -1.061 -11.666 1.00 90.73 C +ATOM 1570 CD1 PHE A 197 -6.602 -1.230 -10.278 1.00 86.35 C +ATOM 1571 CD2 PHE A 197 -7.096 -2.032 -12.507 1.00 87.95 C +ATOM 1572 CE1 PHE A 197 -7.259 -2.348 -9.740 1.00 86.93 C +ATOM 1573 CE2 PHE A 197 -7.759 -3.142 -11.969 1.00 86.41 C +ATOM 1574 CZ PHE A 197 -7.840 -3.301 -10.590 1.00 86.16 C +ATOM 1575 N TYR A 198 -6.563 3.621 -12.381 1.00 94.75 N +ATOM 1576 CA TYR A 198 -5.947 4.942 -12.449 1.00 94.58 C +ATOM 1577 C TYR A 198 -5.005 5.133 -11.265 1.00 94.67 C +ATOM 1578 O TYR A 198 -5.090 4.417 -10.272 1.00 94.07 O +ATOM 1579 CB TYR A 198 -7.046 6.005 -12.436 1.00 94.04 C +ATOM 1580 CG TYR A 198 -7.994 5.944 -13.621 1.00 93.39 C +ATOM 1581 CD1 TYR A 198 -7.805 6.803 -14.718 1.00 92.18 C +ATOM 1582 CD2 TYR A 198 -9.078 5.051 -13.628 1.00 91.05 C +ATOM 1583 CE1 TYR A 198 -8.680 6.752 -15.811 1.00 90.32 C +ATOM 1584 CE2 TYR A 198 -9.965 4.995 -14.727 1.00 91.24 C +ATOM 1585 CZ TYR A 198 -9.740 5.838 -15.800 1.00 91.05 C +ATOM 1586 OH TYR A 198 -10.607 5.802 -16.901 1.00 89.06 O +ATOM 1587 N TYR A 199 -4.187 6.166 -11.302 1.00 95.79 N +ATOM 1588 CA TYR A 199 -3.487 6.638 -10.103 1.00 95.71 C +ATOM 1589 C TYR A 199 -4.460 6.955 -8.968 1.00 95.77 C +ATOM 1590 O TYR A 199 -4.250 6.559 -7.828 1.00 95.37 O +ATOM 1591 CB TYR A 199 -2.653 7.874 -10.454 1.00 95.42 C +ATOM 1592 CG TYR A 199 -1.560 7.618 -11.469 1.00 95.03 C +ATOM 1593 CD1 TYR A 199 -0.468 6.801 -11.137 1.00 94.31 C +ATOM 1594 CD2 TYR A 199 -1.637 8.196 -12.757 1.00 94.05 C +ATOM 1595 CE1 TYR A 199 0.560 6.563 -12.066 1.00 93.47 C +ATOM 1596 CE2 TYR A 199 -0.609 7.966 -13.685 1.00 93.44 C +ATOM 1597 CZ TYR A 199 0.474 7.158 -13.341 1.00 93.47 C +ATOM 1598 OH TYR A 199 1.485 6.943 -14.255 1.00 92.30 O +ATOM 1599 N ALA A 200 -5.586 7.557 -9.303 1.00 95.25 N +ATOM 1600 CA ALA A 200 -6.664 7.827 -8.356 1.00 95.15 C +ATOM 1601 C ALA A 200 -7.305 6.564 -7.757 1.00 95.39 C +ATOM 1602 O ALA A 200 -7.970 6.657 -6.728 1.00 95.07 O +ATOM 1603 CB ALA A 200 -7.695 8.671 -9.087 1.00 94.68 C +ATOM 1604 N SER A 201 -7.119 5.393 -8.360 1.00 95.94 N +ATOM 1605 CA SER A 201 -7.589 4.127 -7.775 1.00 95.88 C +ATOM 1606 C SER A 201 -6.709 3.698 -6.595 1.00 95.98 C +ATOM 1607 O SER A 201 -7.229 3.173 -5.616 1.00 95.76 O +ATOM 1608 CB SER A 201 -7.635 3.018 -8.818 1.00 95.69 C +ATOM 1609 OG SER A 201 -8.309 3.440 -10.007 1.00 95.17 O +ATOM 1610 N ASP A 202 -5.423 3.998 -6.646 1.00 96.28 N +ATOM 1611 CA ASP A 202 -4.552 3.820 -5.480 1.00 96.24 C +ATOM 1612 C ASP A 202 -4.891 4.799 -4.358 1.00 96.29 C +ATOM 1613 O ASP A 202 -4.836 4.430 -3.191 1.00 95.99 O +ATOM 1614 CB ASP A 202 -3.085 3.994 -5.876 1.00 96.16 C +ATOM 1615 CG ASP A 202 -2.452 2.799 -6.564 1.00 95.96 C +ATOM 1616 OD1 ASP A 202 -2.974 1.666 -6.468 1.00 95.13 O +ATOM 1617 OD2 ASP A 202 -1.355 2.995 -7.146 1.00 94.66 O +ATOM 1618 N VAL A 203 -5.305 6.006 -4.700 1.00 95.96 N +ATOM 1619 CA VAL A 203 -5.786 6.979 -3.706 1.00 96.04 C +ATOM 1620 C VAL A 203 -7.037 6.476 -2.986 1.00 96.09 C +ATOM 1621 O VAL A 203 -7.140 6.627 -1.766 1.00 95.93 O +ATOM 1622 CB VAL A 203 -6.057 8.341 -4.354 1.00 95.99 C +ATOM 1623 CG1 VAL A 203 -4.769 8.940 -4.917 1.00 95.80 C +ATOM 1624 CG2 VAL A 203 -6.621 9.352 -3.350 1.00 95.86 C +ATOM 1625 N TRP A 204 -7.943 5.831 -3.696 1.00 95.99 N +ATOM 1626 CA TRP A 204 -9.070 5.155 -3.045 1.00 95.97 C +ATOM 1627 C TRP A 204 -8.580 4.087 -2.056 1.00 95.94 C +ATOM 1628 O TRP A 204 -8.994 4.076 -0.899 1.00 95.66 O +ATOM 1629 CB TRP A 204 -9.981 4.531 -4.099 1.00 96.00 C +ATOM 1630 CG TRP A 204 -11.151 3.787 -3.533 1.00 96.09 C +ATOM 1631 CD1 TRP A 204 -11.100 2.615 -2.843 1.00 95.70 C +ATOM 1632 CD2 TRP A 204 -12.557 4.173 -3.588 1.00 95.78 C +ATOM 1633 NE1 TRP A 204 -12.396 2.268 -2.454 1.00 95.47 N +ATOM 1634 CE2 TRP A 204 -13.299 3.193 -2.882 1.00 95.66 C +ATOM 1635 CE3 TRP A 204 -13.258 5.248 -4.173 1.00 95.70 C +ATOM 1636 CZ2 TRP A 204 -14.717 3.280 -2.738 1.00 95.35 C +ATOM 1637 CZ3 TRP A 204 -14.663 5.338 -4.032 1.00 95.40 C +ATOM 1638 CH2 TRP A 204 -15.376 4.358 -3.318 1.00 95.28 C +ATOM 1639 N SER A 205 -7.670 3.230 -2.490 1.00 95.91 N +ATOM 1640 CA SER A 205 -7.089 2.193 -1.632 1.00 95.80 C +ATOM 1641 C SER A 205 -6.366 2.780 -0.421 1.00 95.90 C +ATOM 1642 O SER A 205 -6.446 2.223 0.671 1.00 95.68 O +ATOM 1643 CB SER A 205 -6.109 1.332 -2.428 1.00 95.59 C +ATOM 1644 OG SER A 205 -6.748 0.786 -3.581 1.00 94.56 O +ATOM 1645 N PHE A 206 -5.719 3.924 -0.593 1.00 96.52 N +ATOM 1646 CA PHE A 206 -5.135 4.665 0.517 1.00 96.53 C +ATOM 1647 C PHE A 206 -6.195 5.123 1.523 1.00 96.56 C +ATOM 1648 O PHE A 206 -5.984 4.953 2.722 1.00 96.41 O +ATOM 1649 CB PHE A 206 -4.343 5.867 0.002 1.00 96.54 C +ATOM 1650 CG PHE A 206 -3.896 6.776 1.118 1.00 96.58 C +ATOM 1651 CD1 PHE A 206 -2.850 6.386 1.966 1.00 96.30 C +ATOM 1652 CD2 PHE A 206 -4.593 7.969 1.380 1.00 96.33 C +ATOM 1653 CE1 PHE A 206 -2.496 7.173 3.076 1.00 96.08 C +ATOM 1654 CE2 PHE A 206 -4.248 8.761 2.484 1.00 96.06 C +ATOM 1655 CZ PHE A 206 -3.202 8.365 3.340 1.00 96.03 C +ATOM 1656 N GLY A 207 -7.322 5.608 1.086 1.00 96.30 N +ATOM 1657 CA GLY A 207 -8.430 5.950 1.984 1.00 96.22 C +ATOM 1658 C GLY A 207 -8.886 4.745 2.814 1.00 96.37 C +ATOM 1659 O GLY A 207 -9.086 4.859 4.030 1.00 96.15 O +ATOM 1660 N VAL A 208 -8.949 3.562 2.198 1.00 96.19 N +ATOM 1661 CA VAL A 208 -9.250 2.312 2.910 1.00 96.17 C +ATOM 1662 C VAL A 208 -8.110 1.912 3.842 1.00 96.14 C +ATOM 1663 O VAL A 208 -8.352 1.477 4.960 1.00 95.98 O +ATOM 1664 CB VAL A 208 -9.577 1.178 1.920 1.00 96.17 C +ATOM 1665 CG1 VAL A 208 -10.728 1.553 0.975 1.00 96.01 C +ATOM 1666 CG2 VAL A 208 -10.015 -0.092 2.664 1.00 96.12 C +ATOM 1667 N THR A 209 -6.877 2.117 3.436 1.00 96.28 N +ATOM 1668 CA THR A 209 -5.705 1.879 4.298 1.00 96.27 C +ATOM 1669 C THR A 209 -5.706 2.819 5.498 1.00 96.30 C +ATOM 1670 O THR A 209 -5.481 2.375 6.623 1.00 96.11 O +ATOM 1671 CB THR A 209 -4.402 2.032 3.508 1.00 96.21 C +ATOM 1672 OG1 THR A 209 -4.421 1.196 2.380 1.00 95.74 O +ATOM 1673 CG2 THR A 209 -3.169 1.649 4.328 1.00 95.59 C +ATOM 1674 N LEU A 210 -6.016 4.072 5.300 1.00 96.65 N +ATOM 1675 CA LEU A 210 -6.139 5.052 6.375 1.00 96.56 C +ATOM 1676 C LEU A 210 -7.240 4.648 7.366 1.00 96.59 C +ATOM 1677 O LEU A 210 -7.019 4.709 8.571 1.00 96.47 O +ATOM 1678 CB LEU A 210 -6.379 6.439 5.757 1.00 96.45 C +ATOM 1679 CG LEU A 210 -6.457 7.588 6.777 1.00 95.86 C +ATOM 1680 CD1 LEU A 210 -6.669 8.909 6.025 1.00 95.35 C +ATOM 1681 CD2 LEU A 210 -5.175 7.724 7.602 1.00 94.89 C +ATOM 1682 N TYR A 211 -8.360 4.138 6.861 1.00 96.01 N +ATOM 1683 CA TYR A 211 -9.396 3.545 7.711 1.00 96.01 C +ATOM 1684 C TYR A 211 -8.856 2.374 8.538 1.00 95.95 C +ATOM 1685 O TYR A 211 -9.083 2.321 9.747 1.00 95.71 O +ATOM 1686 CB TYR A 211 -10.586 3.127 6.841 1.00 96.02 C +ATOM 1687 CG TYR A 211 -11.600 2.264 7.566 1.00 96.05 C +ATOM 1688 CD1 TYR A 211 -12.683 2.846 8.250 1.00 95.70 C +ATOM 1689 CD2 TYR A 211 -11.430 0.869 7.586 1.00 95.67 C +ATOM 1690 CE1 TYR A 211 -13.581 2.046 8.962 1.00 95.33 C +ATOM 1691 CE2 TYR A 211 -12.321 0.061 8.302 1.00 95.28 C +ATOM 1692 CZ TYR A 211 -13.386 0.649 8.986 1.00 95.26 C +ATOM 1693 OH TYR A 211 -14.275 -0.139 9.716 1.00 94.76 O +ATOM 1694 N GLU A 212 -8.101 1.476 7.931 1.00 96.10 N +ATOM 1695 CA GLU A 212 -7.456 0.374 8.647 1.00 96.08 C +ATOM 1696 C GLU A 212 -6.547 0.871 9.782 1.00 96.09 C +ATOM 1697 O GLU A 212 -6.607 0.352 10.889 1.00 95.83 O +ATOM 1698 CB GLU A 212 -6.637 -0.512 7.702 1.00 95.84 C +ATOM 1699 CG GLU A 212 -7.480 -1.318 6.710 1.00 95.00 C +ATOM 1700 CD GLU A 212 -6.587 -2.192 5.838 1.00 94.66 C +ATOM 1701 OE1 GLU A 212 -6.409 -3.374 6.175 1.00 87.53 O +ATOM 1702 OE2 GLU A 212 -6.033 -1.699 4.851 1.00 86.99 O +ATOM 1703 N LEU A 213 -5.738 1.897 9.519 1.00 96.37 N +ATOM 1704 CA LEU A 213 -4.872 2.489 10.544 1.00 96.21 C +ATOM 1705 C LEU A 213 -5.687 3.033 11.714 1.00 96.26 C +ATOM 1706 O LEU A 213 -5.394 2.723 12.868 1.00 95.97 O +ATOM 1707 CB LEU A 213 -3.995 3.613 9.954 1.00 95.97 C +ATOM 1708 CG LEU A 213 -3.064 3.206 8.805 1.00 95.06 C +ATOM 1709 CD1 LEU A 213 -2.137 4.363 8.455 1.00 94.36 C +ATOM 1710 CD2 LEU A 213 -2.212 1.995 9.132 1.00 93.69 C +ATOM 1711 N LEU A 214 -6.721 3.788 11.433 1.00 96.09 N +ATOM 1712 CA LEU A 214 -7.552 4.425 12.462 1.00 95.99 C +ATOM 1713 C LEU A 214 -8.458 3.441 13.230 1.00 96.01 C +ATOM 1714 O LEU A 214 -8.948 3.785 14.303 1.00 95.58 O +ATOM 1715 CB LEU A 214 -8.358 5.556 11.818 1.00 95.59 C +ATOM 1716 CG LEU A 214 -7.648 6.933 11.752 1.00 94.23 C +ATOM 1717 CD1 LEU A 214 -6.340 6.901 10.993 1.00 93.12 C +ATOM 1718 CD2 LEU A 214 -7.405 7.510 13.134 1.00 91.80 C +ATOM 1719 N THR A 215 -8.636 2.242 12.710 1.00 95.48 N +ATOM 1720 CA THR A 215 -9.240 1.114 13.431 1.00 95.36 C +ATOM 1721 C THR A 215 -8.213 0.215 14.107 1.00 95.33 C +ATOM 1722 O THR A 215 -8.589 -0.829 14.653 1.00 95.06 O +ATOM 1723 CB THR A 215 -10.149 0.282 12.515 1.00 95.21 C +ATOM 1724 OG1 THR A 215 -9.431 -0.209 11.406 1.00 94.93 O +ATOM 1725 CG2 THR A 215 -11.344 1.086 12.010 1.00 94.88 C +ATOM 1726 N HIS A 216 -6.955 0.580 14.075 1.00 95.80 N +ATOM 1727 CA HIS A 216 -5.834 -0.245 14.543 1.00 95.62 C +ATOM 1728 C HIS A 216 -5.817 -1.650 13.920 1.00 95.66 C +ATOM 1729 O HIS A 216 -5.389 -2.613 14.553 1.00 95.18 O +ATOM 1730 CB HIS A 216 -5.805 -0.278 16.076 1.00 95.10 C +ATOM 1731 CG HIS A 216 -5.500 1.055 16.693 1.00 93.75 C +ATOM 1732 ND1 HIS A 216 -4.238 1.478 17.092 1.00 89.38 N1+ +ATOM 1733 CD2 HIS A 216 -6.374 2.065 16.994 1.00 86.08 C +ATOM 1734 CE1 HIS A 216 -4.355 2.704 17.614 1.00 86.28 C +ATOM 1735 NE2 HIS A 216 -5.643 3.100 17.563 1.00 88.41 N +ATOM 1736 N CYS A 217 -6.280 -1.784 12.707 1.00 95.28 N +ATOM 1737 CA CYS A 217 -6.451 -3.071 12.013 1.00 95.11 C +ATOM 1738 C CYS A 217 -7.268 -4.104 12.817 1.00 94.97 C +ATOM 1739 O CYS A 217 -7.027 -5.309 12.695 1.00 94.41 O +ATOM 1740 CB CYS A 217 -5.111 -3.605 11.515 1.00 94.77 C +ATOM 1741 SG CYS A 217 -4.317 -2.489 10.347 1.00 94.13 S +ATOM 1742 N ASP A 218 -8.206 -3.651 13.609 1.00 94.88 N +ATOM 1743 CA ASP A 218 -9.136 -4.548 14.287 1.00 94.78 C +ATOM 1744 C ASP A 218 -9.921 -5.365 13.254 1.00 94.90 C +ATOM 1745 O ASP A 218 -10.630 -4.822 12.403 1.00 94.39 O +ATOM 1746 CB ASP A 218 -10.063 -3.732 15.188 1.00 94.23 C +ATOM 1747 CG ASP A 218 -11.105 -4.565 15.955 1.00 92.69 C +ATOM 1748 OD1 ASP A 218 -11.223 -5.791 15.711 1.00 89.33 O +ATOM 1749 OD2 ASP A 218 -11.867 -3.956 16.721 1.00 87.37 O +ATOM 1750 N SER A 219 -9.813 -6.680 13.350 1.00 93.71 N +ATOM 1751 CA SER A 219 -10.447 -7.606 12.407 1.00 93.69 C +ATOM 1752 C SER A 219 -11.975 -7.497 12.394 1.00 93.93 C +ATOM 1753 O SER A 219 -12.587 -7.689 11.341 1.00 92.83 O +ATOM 1754 CB SER A 219 -10.021 -9.037 12.735 1.00 92.56 C +ATOM 1755 OG SER A 219 -10.416 -9.400 14.051 1.00 88.60 O +ATOM 1756 N SER A 220 -12.575 -7.127 13.510 1.00 94.42 N +ATOM 1757 CA SER A 220 -14.025 -6.904 13.593 1.00 94.24 C +ATOM 1758 C SER A 220 -14.479 -5.649 12.846 1.00 94.39 C +ATOM 1759 O SER A 220 -15.656 -5.534 12.474 1.00 93.73 O +ATOM 1760 CB SER A 220 -14.456 -6.831 15.065 1.00 93.49 C +ATOM 1761 OG SER A 220 -14.058 -5.621 15.671 1.00 90.67 O +ATOM 1762 N GLN A 221 -13.570 -4.744 12.591 1.00 94.11 N +ATOM 1763 CA GLN A 221 -13.815 -3.487 11.891 1.00 94.23 C +ATOM 1764 C GLN A 221 -13.137 -3.444 10.517 1.00 94.58 C +ATOM 1765 O GLN A 221 -13.190 -2.413 9.851 1.00 93.78 O +ATOM 1766 CB GLN A 221 -13.355 -2.315 12.773 1.00 93.39 C +ATOM 1767 CG GLN A 221 -14.111 -2.248 14.094 1.00 90.08 C +ATOM 1768 CD GLN A 221 -13.733 -0.983 14.869 1.00 88.02 C +ATOM 1769 OE1 GLN A 221 -13.953 0.127 14.420 1.00 80.93 O +ATOM 1770 NE2 GLN A 221 -13.140 -1.138 16.039 1.00 77.82 N +ATOM 1771 N SER A 222 -12.536 -4.530 10.077 1.00 94.71 N +ATOM 1772 CA SER A 222 -11.820 -4.574 8.798 1.00 94.73 C +ATOM 1773 C SER A 222 -12.744 -4.230 7.620 1.00 94.89 C +ATOM 1774 O SER A 222 -13.948 -4.481 7.698 1.00 94.53 O +ATOM 1775 CB SER A 222 -11.176 -5.948 8.597 1.00 94.23 C +ATOM 1776 OG SER A 222 -12.156 -6.938 8.343 1.00 92.69 O +ATOM 1777 N PRO A 223 -12.205 -3.715 6.512 1.00 94.96 N +ATOM 1778 CA PRO A 223 -13.009 -3.418 5.329 1.00 95.06 C +ATOM 1779 C PRO A 223 -13.864 -4.597 4.846 1.00 95.16 C +ATOM 1780 O PRO A 223 -15.056 -4.415 4.653 1.00 94.99 O +ATOM 1781 CB PRO A 223 -12.020 -2.910 4.277 1.00 94.92 C +ATOM 1782 CG PRO A 223 -10.882 -2.341 5.124 1.00 94.52 C +ATOM 1783 CD PRO A 223 -10.848 -3.260 6.339 1.00 95.23 C +ATOM 1784 N PRO A 224 -13.335 -5.834 4.729 1.00 94.24 N +ATOM 1785 CA PRO A 224 -14.164 -6.985 4.374 1.00 94.09 C +ATOM 1786 C PRO A 224 -15.330 -7.211 5.351 1.00 94.15 C +ATOM 1787 O PRO A 224 -16.461 -7.410 4.926 1.00 93.81 O +ATOM 1788 CB PRO A 224 -13.228 -8.195 4.358 1.00 93.70 C +ATOM 1789 CG PRO A 224 -11.871 -7.593 4.090 1.00 93.01 C +ATOM 1790 CD PRO A 224 -11.920 -6.259 4.804 1.00 93.95 C +ATOM 1791 N THR A 225 -15.048 -7.145 6.647 1.00 94.71 N +ATOM 1792 CA THR A 225 -16.087 -7.354 7.675 1.00 94.46 C +ATOM 1793 C THR A 225 -17.188 -6.309 7.552 1.00 94.69 C +ATOM 1794 O THR A 225 -18.359 -6.670 7.458 1.00 94.27 O +ATOM 1795 CB THR A 225 -15.470 -7.335 9.075 1.00 93.89 C +ATOM 1796 OG1 THR A 225 -14.506 -8.353 9.188 1.00 90.95 O +ATOM 1797 CG2 THR A 225 -16.496 -7.576 10.185 1.00 89.79 C +ATOM 1798 N LYS A 226 -16.830 -5.039 7.482 1.00 94.09 N +ATOM 1799 CA LYS A 226 -17.792 -3.946 7.400 1.00 94.01 C +ATOM 1800 C LYS A 226 -18.592 -3.936 6.104 1.00 94.16 C +ATOM 1801 O LYS A 226 -19.809 -3.739 6.139 1.00 93.59 O +ATOM 1802 CB LYS A 226 -17.067 -2.607 7.605 1.00 93.42 C +ATOM 1803 CG LYS A 226 -16.633 -2.396 9.070 1.00 90.91 C +ATOM 1804 CD LYS A 226 -17.829 -2.318 10.014 1.00 88.63 C +ATOM 1805 CE LYS A 226 -17.412 -2.300 11.471 1.00 85.26 C +ATOM 1806 NZ LYS A 226 -18.520 -2.862 12.324 1.00 80.94 N1+ +ATOM 1807 N PHE A 227 -17.965 -4.202 4.999 1.00 93.88 N +ATOM 1808 CA PHE A 227 -18.693 -4.290 3.732 1.00 93.96 C +ATOM 1809 C PHE A 227 -19.609 -5.516 3.672 1.00 93.91 C +ATOM 1810 O PHE A 227 -20.732 -5.393 3.222 1.00 93.76 O +ATOM 1811 CB PHE A 227 -17.717 -4.263 2.562 1.00 94.05 C +ATOM 1812 CG PHE A 227 -17.161 -2.894 2.226 1.00 94.38 C +ATOM 1813 CD1 PHE A 227 -18.026 -1.826 1.957 1.00 93.94 C +ATOM 1814 CD2 PHE A 227 -15.772 -2.692 2.096 1.00 94.01 C +ATOM 1815 CE1 PHE A 227 -17.512 -0.564 1.592 1.00 93.56 C +ATOM 1816 CE2 PHE A 227 -15.265 -1.435 1.731 1.00 93.58 C +ATOM 1817 CZ PHE A 227 -16.129 -0.375 1.475 1.00 93.62 C +ATOM 1818 N LEU A 228 -19.171 -6.657 4.177 1.00 93.32 N +ATOM 1819 CA LEU A 228 -20.028 -7.841 4.213 1.00 93.34 C +ATOM 1820 C LEU A 228 -21.228 -7.666 5.178 1.00 93.26 C +ATOM 1821 O LEU A 228 -22.314 -8.141 4.844 1.00 92.80 O +ATOM 1822 CB LEU A 228 -19.209 -9.077 4.590 1.00 93.15 C +ATOM 1823 CG LEU A 228 -18.265 -9.574 3.476 1.00 92.22 C +ATOM 1824 CD1 LEU A 228 -17.386 -10.695 4.026 1.00 91.18 C +ATOM 1825 CD2 LEU A 228 -19.023 -10.147 2.278 1.00 90.47 C +ATOM 1826 N GLU A 229 -21.093 -6.941 6.252 1.00 92.88 N +ATOM 1827 CA GLU A 229 -22.221 -6.544 7.107 1.00 92.61 C +ATOM 1828 C GLU A 229 -23.251 -5.702 6.320 1.00 92.64 C +ATOM 1829 O GLU A 229 -24.449 -5.893 6.514 1.00 91.68 O +ATOM 1830 CB GLU A 229 -21.716 -5.737 8.320 1.00 91.84 C +ATOM 1831 CG GLU A 229 -21.049 -6.606 9.405 1.00 88.27 C +ATOM 1832 CD GLU A 229 -20.337 -5.764 10.500 1.00 87.06 C +ATOM 1833 OE1 GLU A 229 -19.573 -6.355 11.289 1.00 79.79 O +ATOM 1834 OE2 GLU A 229 -20.505 -4.529 10.565 1.00 76.46 O +ATOM 1835 N LEU A 230 -22.795 -4.847 5.435 1.00 90.42 N +ATOM 1836 CA LEU A 230 -23.639 -3.964 4.650 1.00 90.25 C +ATOM 1837 C LEU A 230 -24.293 -4.653 3.443 1.00 90.41 C +ATOM 1838 O LEU A 230 -25.422 -4.320 3.095 1.00 89.25 O +ATOM 1839 CB LEU A 230 -22.816 -2.752 4.180 1.00 89.28 C +ATOM 1840 CG LEU A 230 -22.381 -1.786 5.301 1.00 86.34 C +ATOM 1841 CD1 LEU A 230 -21.412 -0.751 4.723 1.00 84.62 C +ATOM 1842 CD2 LEU A 230 -23.559 -1.046 5.892 1.00 84.20 C +ATOM 1843 N ILE A 231 -23.631 -5.573 2.801 1.00 90.18 N +ATOM 1844 CA ILE A 231 -24.127 -6.241 1.587 1.00 89.82 C +ATOM 1845 C ILE A 231 -24.776 -7.608 1.863 1.00 89.47 C +ATOM 1846 O ILE A 231 -25.418 -8.175 0.985 1.00 87.47 O +ATOM 1847 CB ILE A 231 -23.042 -6.341 0.494 1.00 89.03 C +ATOM 1848 CG1 ILE A 231 -21.944 -7.346 0.851 1.00 87.92 C +ATOM 1849 CG2 ILE A 231 -22.511 -4.939 0.156 1.00 87.34 C +ATOM 1850 CD1 ILE A 231 -20.826 -7.476 -0.207 1.00 82.93 C +ATOM 1851 N GLY A 232 -24.564 -8.137 3.051 1.00 83.54 N +ATOM 1852 CA GLY A 232 -24.919 -9.496 3.423 1.00 82.96 C +ATOM 1853 C GLY A 232 -23.960 -10.546 2.892 1.00 83.60 C +ATOM 1854 O GLY A 232 -23.090 -10.268 2.056 1.00 81.06 O +ATOM 1855 N ILE A 233 -24.087 -11.764 3.368 1.00 77.34 N +ATOM 1856 CA ILE A 233 -23.216 -12.858 2.971 1.00 76.58 C +ATOM 1857 C ILE A 233 -23.355 -13.102 1.460 1.00 77.27 C +ATOM 1858 O ILE A 233 -24.442 -13.413 0.969 1.00 73.65 O +ATOM 1859 CB ILE A 233 -23.501 -14.144 3.782 1.00 72.68 C +ATOM 1860 CG1 ILE A 233 -23.291 -13.887 5.281 1.00 70.18 C +ATOM 1861 CG2 ILE A 233 -22.599 -15.299 3.298 1.00 68.94 C +ATOM 1862 CD1 ILE A 233 -23.659 -15.077 6.169 1.00 64.80 C +ATOM 1863 N ALA A 234 -22.277 -12.962 0.750 1.00 71.85 N +ATOM 1864 CA ALA A 234 -22.199 -13.218 -0.682 1.00 70.12 C +ATOM 1865 C ALA A 234 -20.853 -13.846 -1.008 1.00 71.51 C +ATOM 1866 O ALA A 234 -19.880 -13.726 -0.259 1.00 67.63 O +ATOM 1867 CB ALA A 234 -22.417 -11.902 -1.419 1.00 64.54 C +ATOM 1868 N GLN A 235 -20.766 -14.495 -2.141 1.00 69.10 N +ATOM 1869 CA GLN A 235 -19.564 -15.165 -2.606 1.00 69.13 C +ATOM 1870 C GLN A 235 -19.251 -14.762 -4.058 1.00 69.72 C +ATOM 1871 O GLN A 235 -20.176 -14.501 -4.853 1.00 65.22 O +ATOM 1872 CB GLN A 235 -19.753 -16.686 -2.516 1.00 64.05 C +ATOM 1873 CG GLN A 235 -19.806 -17.202 -1.051 1.00 59.15 C +ATOM 1874 CD GLN A 235 -18.424 -17.293 -0.374 1.00 54.51 C +ATOM 1875 OE1 GLN A 235 -17.432 -17.471 -1.007 1.00 45.98 O +ATOM 1876 NE2 GLN A 235 -18.404 -17.216 0.931 1.00 46.84 N +ATOM 1877 N GLY A 236 -17.992 -14.724 -4.407 1.00 74.00 N +ATOM 1878 CA GLY A 236 -17.506 -14.521 -5.774 1.00 74.49 C +ATOM 1879 C GLY A 236 -18.068 -13.257 -6.431 1.00 76.96 C +ATOM 1880 O GLY A 236 -18.068 -12.190 -5.845 1.00 73.82 O +ATOM 1881 N GLN A 237 -18.579 -13.397 -7.636 1.00 82.35 N +ATOM 1882 CA GLN A 237 -19.095 -12.279 -8.424 1.00 83.03 C +ATOM 1883 C GLN A 237 -20.266 -11.549 -7.750 1.00 84.38 C +ATOM 1884 O GLN A 237 -20.400 -10.346 -7.927 1.00 81.80 O +ATOM 1885 CB GLN A 237 -19.532 -12.761 -9.797 1.00 78.88 C +ATOM 1886 CG GLN A 237 -18.366 -13.184 -10.677 1.00 71.56 C +ATOM 1887 CD GLN A 237 -18.831 -13.537 -12.117 1.00 67.35 C +ATOM 1888 OE1 GLN A 237 -19.992 -13.680 -12.397 1.00 58.12 O +ATOM 1889 NE2 GLN A 237 -17.916 -13.676 -13.028 1.00 56.49 N +ATOM 1890 N MET A 238 -21.051 -12.241 -6.962 1.00 87.86 N +ATOM 1891 CA MET A 238 -22.172 -11.616 -6.246 1.00 88.76 C +ATOM 1892 C MET A 238 -21.689 -10.617 -5.209 1.00 89.63 C +ATOM 1893 O MET A 238 -22.338 -9.604 -4.995 1.00 88.11 O +ATOM 1894 CB MET A 238 -23.046 -12.708 -5.627 1.00 87.06 C +ATOM 1895 CG MET A 238 -24.404 -12.154 -5.216 1.00 80.78 C +ATOM 1896 SD MET A 238 -25.402 -11.615 -6.625 1.00 77.50 S +ATOM 1897 CE MET A 238 -26.894 -11.125 -5.748 1.00 68.50 C +ATOM 1898 N THR A 239 -20.556 -10.858 -4.580 1.00 91.05 N +ATOM 1899 CA THR A 239 -19.915 -9.909 -3.662 1.00 91.50 C +ATOM 1900 C THR A 239 -19.509 -8.648 -4.396 1.00 91.90 C +ATOM 1901 O THR A 239 -19.837 -7.564 -3.946 1.00 91.30 O +ATOM 1902 CB THR A 239 -18.706 -10.528 -2.985 1.00 90.99 C +ATOM 1903 OG1 THR A 239 -19.099 -11.675 -2.266 1.00 89.87 O +ATOM 1904 CG2 THR A 239 -18.030 -9.592 -1.973 1.00 89.56 C +ATOM 1905 N VAL A 240 -18.855 -8.777 -5.539 1.00 93.00 N +ATOM 1906 CA VAL A 240 -18.435 -7.641 -6.361 1.00 93.02 C +ATOM 1907 C VAL A 240 -19.624 -6.831 -6.850 1.00 93.24 C +ATOM 1908 O VAL A 240 -19.588 -5.606 -6.754 1.00 92.84 O +ATOM 1909 CB VAL A 240 -17.571 -8.123 -7.541 1.00 92.47 C +ATOM 1910 CG1 VAL A 240 -16.315 -8.832 -7.044 1.00 90.80 C +ATOM 1911 CG2 VAL A 240 -17.127 -6.956 -8.423 1.00 90.37 C +ATOM 1912 N LEU A 241 -20.683 -7.484 -7.310 1.00 92.87 N +ATOM 1913 CA LEU A 241 -21.891 -6.820 -7.767 1.00 92.89 C +ATOM 1914 C LEU A 241 -22.520 -5.995 -6.649 1.00 93.30 C +ATOM 1915 O LEU A 241 -22.728 -4.785 -6.810 1.00 92.55 O +ATOM 1916 CB LEU A 241 -22.864 -7.877 -8.291 1.00 91.84 C +ATOM 1917 CG LEU A 241 -24.163 -7.274 -8.880 1.00 85.62 C +ATOM 1918 CD1 LEU A 241 -25.176 -8.384 -9.108 1.00 82.11 C +ATOM 1919 CD2 LEU A 241 -23.920 -6.581 -10.214 1.00 79.00 C +ATOM 1920 N ARG A 242 -22.758 -6.580 -5.514 1.00 92.14 N +ATOM 1921 CA ARG A 242 -23.383 -5.901 -4.360 1.00 92.07 C +ATOM 1922 C ARG A 242 -22.478 -4.797 -3.801 1.00 92.69 C +ATOM 1923 O ARG A 242 -23.003 -3.758 -3.400 1.00 92.40 O +ATOM 1924 CB ARG A 242 -23.667 -6.904 -3.256 1.00 91.37 C +ATOM 1925 CG ARG A 242 -24.824 -7.823 -3.610 1.00 87.17 C +ATOM 1926 CD ARG A 242 -25.051 -8.754 -2.429 1.00 84.99 C +ATOM 1927 NE ARG A 242 -26.130 -9.728 -2.674 1.00 79.35 N +ATOM 1928 CZ ARG A 242 -26.642 -10.527 -1.756 1.00 74.50 C +ATOM 1929 NH1 ARG A 242 -26.229 -10.518 -0.518 1.00 70.66 N +ATOM 1930 NH2 ARG A 242 -27.605 -11.363 -2.074 1.00 70.18 N1+ +ATOM 1931 N LEU A 243 -21.196 -5.004 -3.767 1.00 94.24 N +ATOM 1932 CA LEU A 243 -20.237 -3.967 -3.355 1.00 94.20 C +ATOM 1933 C LEU A 243 -20.285 -2.788 -4.312 1.00 94.17 C +ATOM 1934 O LEU A 243 -20.360 -1.648 -3.855 1.00 94.08 O +ATOM 1935 CB LEU A 243 -18.841 -4.595 -3.282 1.00 94.24 C +ATOM 1936 CG LEU A 243 -17.734 -3.614 -2.887 1.00 93.88 C +ATOM 1937 CD1 LEU A 243 -16.395 -4.353 -2.849 1.00 93.36 C +ATOM 1938 CD2 LEU A 243 -17.961 -2.989 -1.508 1.00 93.11 C +ATOM 1939 N THR A 244 -20.308 -3.028 -5.602 1.00 94.09 N +ATOM 1940 CA THR A 244 -20.435 -1.973 -6.630 1.00 94.05 C +ATOM 1941 C THR A 244 -21.726 -1.177 -6.444 1.00 94.01 C +ATOM 1942 O THR A 244 -21.678 0.037 -6.351 1.00 93.52 O +ATOM 1943 CB THR A 244 -20.377 -2.561 -8.042 1.00 93.74 C +ATOM 1944 OG1 THR A 244 -19.178 -3.282 -8.204 1.00 92.62 O +ATOM 1945 CG2 THR A 244 -20.374 -1.483 -9.111 1.00 91.98 C +ATOM 1946 N GLU A 245 -22.830 -1.847 -6.296 1.00 94.17 N +ATOM 1947 CA GLU A 245 -24.143 -1.210 -6.044 1.00 93.81 C +ATOM 1948 C GLU A 245 -24.168 -0.388 -4.756 1.00 93.78 C +ATOM 1949 O GLU A 245 -24.733 0.697 -4.709 1.00 92.91 O +ATOM 1950 CB GLU A 245 -25.237 -2.275 -5.938 1.00 92.98 C +ATOM 1951 CG GLU A 245 -25.577 -2.947 -7.273 1.00 87.71 C +ATOM 1952 CD GLU A 245 -26.518 -4.143 -7.099 1.00 85.13 C +ATOM 1953 OE1 GLU A 245 -26.787 -4.808 -8.130 1.00 76.51 O +ATOM 1954 OE2 GLU A 245 -26.970 -4.432 -5.981 1.00 74.90 O +ATOM 1955 N LEU A 246 -23.501 -0.872 -3.712 1.00 94.37 N +ATOM 1956 CA LEU A 246 -23.399 -0.168 -2.442 1.00 94.28 C +ATOM 1957 C LEU A 246 -22.592 1.122 -2.595 1.00 94.37 C +ATOM 1958 O LEU A 246 -23.028 2.179 -2.138 1.00 93.75 O +ATOM 1959 CB LEU A 246 -22.805 -1.143 -1.403 1.00 93.61 C +ATOM 1960 CG LEU A 246 -22.640 -0.536 0.002 1.00 91.03 C +ATOM 1961 CD1 LEU A 246 -21.228 -0.006 0.238 1.00 88.97 C +ATOM 1962 CD2 LEU A 246 -22.892 -1.600 1.031 1.00 87.41 C +ATOM 1963 N LEU A 247 -21.453 1.057 -3.284 1.00 94.50 N +ATOM 1964 CA LEU A 247 -20.616 2.224 -3.532 1.00 94.49 C +ATOM 1965 C LEU A 247 -21.290 3.231 -4.451 1.00 94.25 C +ATOM 1966 O LEU A 247 -21.193 4.439 -4.204 1.00 93.90 O +ATOM 1967 CB LEU A 247 -19.269 1.759 -4.099 1.00 94.68 C +ATOM 1968 CG LEU A 247 -18.405 0.946 -3.132 1.00 94.82 C +ATOM 1969 CD1 LEU A 247 -17.120 0.527 -3.859 1.00 94.42 C +ATOM 1970 CD2 LEU A 247 -18.010 1.701 -1.869 1.00 94.35 C +ATOM 1971 N GLU A 248 -22.041 2.780 -5.443 1.00 94.25 N +ATOM 1972 CA GLU A 248 -22.816 3.651 -6.340 1.00 93.94 C +ATOM 1973 C GLU A 248 -23.970 4.379 -5.632 1.00 93.70 C +ATOM 1974 O GLU A 248 -24.278 5.509 -6.000 1.00 92.36 O +ATOM 1975 CB GLU A 248 -23.375 2.838 -7.532 1.00 93.01 C +ATOM 1976 CG GLU A 248 -22.266 2.511 -8.555 1.00 88.15 C +ATOM 1977 CD GLU A 248 -22.756 1.785 -9.804 1.00 85.33 C +ATOM 1978 OE1 GLU A 248 -21.965 1.749 -10.799 1.00 73.97 O +ATOM 1979 OE2 GLU A 248 -23.882 1.238 -9.838 1.00 72.01 O +ATOM 1980 N ARG A 249 -24.529 3.819 -4.596 1.00 94.58 N +ATOM 1981 CA ARG A 249 -25.468 4.503 -3.717 1.00 94.10 C +ATOM 1982 C ARG A 249 -24.828 5.528 -2.785 1.00 94.01 C +ATOM 1983 O ARG A 249 -25.530 6.182 -2.021 1.00 93.06 O +ATOM 1984 CB ARG A 249 -26.287 3.493 -2.900 1.00 93.29 C +ATOM 1985 CG ARG A 249 -27.253 2.672 -3.761 1.00 89.55 C +ATOM 1986 CD ARG A 249 -28.203 1.851 -2.865 1.00 87.00 C +ATOM 1987 NE ARG A 249 -27.519 0.966 -1.927 1.00 83.03 N +ATOM 1988 CZ ARG A 249 -27.174 -0.299 -2.081 1.00 80.21 C +ATOM 1989 NH1 ARG A 249 -27.390 -0.934 -3.214 1.00 76.03 N +ATOM 1990 NH2 ARG A 249 -26.608 -0.952 -1.116 1.00 76.49 N1+ +ATOM 1991 N GLY A 250 -23.520 5.659 -2.814 1.00 94.27 N +ATOM 1992 CA GLY A 250 -22.768 6.592 -1.984 1.00 94.17 C +ATOM 1993 C GLY A 250 -22.434 6.060 -0.578 1.00 94.45 C +ATOM 1994 O GLY A 250 -21.924 6.826 0.236 1.00 93.89 O +ATOM 1995 N GLU A 251 -22.731 4.805 -0.275 1.00 94.59 N +ATOM 1996 CA GLU A 251 -22.363 4.214 1.009 1.00 94.51 C +ATOM 1997 C GLU A 251 -20.835 4.009 1.088 1.00 94.79 C +ATOM 1998 O GLU A 251 -20.158 3.740 0.101 1.00 94.28 O +ATOM 1999 CB GLU A 251 -23.116 2.900 1.244 1.00 93.79 C +ATOM 2000 CG GLU A 251 -24.614 3.113 1.416 1.00 90.60 C +ATOM 2001 CD GLU A 251 -25.344 1.804 1.770 1.00 88.43 C +ATOM 2002 OE1 GLU A 251 -26.292 1.414 1.032 1.00 78.55 O +ATOM 2003 OE2 GLU A 251 -24.983 1.155 2.761 1.00 75.91 O +ATOM 2004 N ARG A 252 -20.297 4.184 2.269 1.00 93.88 N +ATOM 2005 CA ARG A 252 -18.859 4.105 2.559 1.00 93.99 C +ATOM 2006 C ARG A 252 -18.612 3.413 3.890 1.00 93.94 C +ATOM 2007 O ARG A 252 -19.517 3.240 4.696 1.00 93.52 O +ATOM 2008 CB ARG A 252 -18.267 5.530 2.585 1.00 93.98 C +ATOM 2009 CG ARG A 252 -18.350 6.283 1.244 1.00 94.05 C +ATOM 2010 CD ARG A 252 -17.567 5.591 0.132 1.00 93.91 C +ATOM 2011 NE ARG A 252 -17.575 6.357 -1.114 1.00 93.64 N +ATOM 2012 CZ ARG A 252 -18.425 6.220 -2.135 1.00 93.50 C +ATOM 2013 NH1 ARG A 252 -19.419 5.375 -2.089 1.00 93.05 N +ATOM 2014 NH2 ARG A 252 -18.300 6.943 -3.188 1.00 93.05 N1+ +ATOM 2015 N LEU A 253 -17.360 3.061 4.139 1.00 94.89 N +ATOM 2016 CA LEU A 253 -16.927 2.608 5.461 1.00 94.93 C +ATOM 2017 C LEU A 253 -17.273 3.666 6.515 1.00 94.91 C +ATOM 2018 O LEU A 253 -17.149 4.862 6.245 1.00 94.62 O +ATOM 2019 CB LEU A 253 -15.410 2.325 5.440 1.00 94.90 C +ATOM 2020 CG LEU A 253 -15.007 1.088 4.638 1.00 94.66 C +ATOM 2021 CD1 LEU A 253 -13.482 1.026 4.510 1.00 94.25 C +ATOM 2022 CD2 LEU A 253 -15.453 -0.207 5.334 1.00 94.11 C +ATOM 2023 N PRO A 254 -17.690 3.262 7.709 1.00 95.55 N +ATOM 2024 CA PRO A 254 -18.076 4.197 8.775 1.00 95.39 C +ATOM 2025 C PRO A 254 -16.847 4.916 9.337 1.00 95.52 C +ATOM 2026 O PRO A 254 -15.714 4.457 9.190 1.00 95.14 O +ATOM 2027 CB PRO A 254 -18.752 3.331 9.835 1.00 94.95 C +ATOM 2028 CG PRO A 254 -18.042 1.984 9.689 1.00 94.02 C +ATOM 2029 CD PRO A 254 -17.787 1.885 8.182 1.00 94.63 C +ATOM 2030 N ARG A 255 -17.081 6.017 10.023 1.00 95.03 N +ATOM 2031 CA ARG A 255 -16.010 6.707 10.759 1.00 94.91 C +ATOM 2032 C ARG A 255 -15.501 5.796 11.898 1.00 94.79 C +ATOM 2033 O ARG A 255 -16.306 5.392 12.706 1.00 94.40 O +ATOM 2034 CB ARG A 255 -16.542 8.039 11.272 1.00 94.56 C +ATOM 2035 CG ARG A 255 -15.513 8.822 12.080 1.00 93.36 C +ATOM 2036 CD ARG A 255 -16.068 10.167 12.519 1.00 92.04 C +ATOM 2037 NE ARG A 255 -15.189 10.816 13.482 1.00 89.96 N +ATOM 2038 CZ ARG A 255 -15.451 11.897 14.184 1.00 88.67 C +ATOM 2039 NH1 ARG A 255 -16.584 12.520 14.041 1.00 86.90 N +ATOM 2040 NH2 ARG A 255 -14.599 12.340 15.054 1.00 87.57 N1+ +ATOM 2041 N PRO A 256 -14.191 5.502 11.960 1.00 94.58 N +ATOM 2042 CA PRO A 256 -13.622 4.764 13.083 1.00 94.56 C +ATOM 2043 C PRO A 256 -13.808 5.493 14.407 1.00 94.59 C +ATOM 2044 O PRO A 256 -13.810 6.717 14.450 1.00 94.18 O +ATOM 2045 CB PRO A 256 -12.141 4.591 12.757 1.00 94.39 C +ATOM 2046 CG PRO A 256 -12.100 4.697 11.236 1.00 93.91 C +ATOM 2047 CD PRO A 256 -13.188 5.722 10.939 1.00 94.72 C +ATOM 2048 N ASP A 257 -13.875 4.751 15.478 1.00 92.98 N +ATOM 2049 CA ASP A 257 -13.854 5.323 16.835 1.00 92.63 C +ATOM 2050 C ASP A 257 -12.590 6.149 17.044 1.00 92.85 C +ATOM 2051 O ASP A 257 -11.496 5.769 16.644 1.00 91.79 O +ATOM 2052 CB ASP A 257 -13.915 4.204 17.884 1.00 91.15 C +ATOM 2053 CG ASP A 257 -15.342 3.848 18.303 1.00 84.35 C +ATOM 2054 OD1 ASP A 257 -16.302 4.501 17.836 1.00 77.39 O +ATOM 2055 OD2 ASP A 257 -15.448 2.968 19.201 1.00 76.36 O +ATOM 2056 N LYS A 258 -12.723 7.257 17.680 1.00 91.39 N +ATOM 2057 CA LYS A 258 -11.641 8.222 17.930 1.00 91.16 C +ATOM 2058 C LYS A 258 -10.974 8.823 16.679 1.00 91.70 C +ATOM 2059 O LYS A 258 -10.075 9.625 16.826 1.00 90.30 O +ATOM 2060 CB LYS A 258 -10.595 7.634 18.894 1.00 89.41 C +ATOM 2061 CG LYS A 258 -11.193 7.006 20.153 1.00 82.90 C +ATOM 2062 CD LYS A 258 -10.107 6.294 20.964 1.00 77.28 C +ATOM 2063 CE LYS A 258 -10.719 5.589 22.157 1.00 70.33 C +ATOM 2064 NZ LYS A 258 -9.715 4.778 22.894 1.00 63.18 N1+ +ATOM 2065 N CYS A 259 -11.431 8.473 15.504 1.00 94.42 N +ATOM 2066 CA CYS A 259 -10.981 9.160 14.296 1.00 94.54 C +ATOM 2067 C CYS A 259 -11.502 10.604 14.289 1.00 94.66 C +ATOM 2068 O CYS A 259 -12.725 10.801 14.339 1.00 94.25 O +ATOM 2069 CB CYS A 259 -11.466 8.399 13.063 1.00 94.25 C +ATOM 2070 SG CYS A 259 -10.964 9.216 11.535 1.00 93.52 S +ATOM 2071 N PRO A 260 -10.639 11.637 14.203 1.00 94.84 N +ATOM 2072 CA PRO A 260 -11.078 13.016 14.093 1.00 94.71 C +ATOM 2073 C PRO A 260 -11.969 13.222 12.872 1.00 94.88 C +ATOM 2074 O PRO A 260 -11.761 12.585 11.838 1.00 94.49 O +ATOM 2075 CB PRO A 260 -9.812 13.856 14.022 1.00 94.17 C +ATOM 2076 CG PRO A 260 -8.763 12.984 14.711 1.00 92.93 C +ATOM 2077 CD PRO A 260 -9.193 11.575 14.315 1.00 93.65 C +ATOM 2078 N ALA A 261 -12.899 14.136 12.954 1.00 95.30 N +ATOM 2079 CA ALA A 261 -13.818 14.414 11.850 1.00 95.21 C +ATOM 2080 C ALA A 261 -13.073 14.852 10.579 1.00 95.37 C +ATOM 2081 O ALA A 261 -13.427 14.404 9.492 1.00 95.03 O +ATOM 2082 CB ALA A 261 -14.812 15.463 12.316 1.00 94.71 C +ATOM 2083 N GLU A 262 -12.035 15.652 10.709 1.00 94.99 N +ATOM 2084 CA GLU A 262 -11.210 16.120 9.588 1.00 94.79 C +ATOM 2085 C GLU A 262 -10.480 14.965 8.901 1.00 95.15 C +ATOM 2086 O GLU A 262 -10.427 14.932 7.677 1.00 94.52 O +ATOM 2087 CB GLU A 262 -10.253 17.215 10.070 1.00 93.88 C +ATOM 2088 CG GLU A 262 -9.182 16.754 11.062 1.00 87.02 C +ATOM 2089 CD GLU A 262 -8.465 17.921 11.797 1.00 83.78 C +ATOM 2090 OE1 GLU A 262 -8.020 17.699 12.940 1.00 71.76 O +ATOM 2091 OE2 GLU A 262 -8.352 19.019 11.242 1.00 68.59 O +ATOM 2092 N VAL A 263 -10.013 13.984 9.657 1.00 95.67 N +ATOM 2093 CA VAL A 263 -9.346 12.798 9.098 1.00 95.74 C +ATOM 2094 C VAL A 263 -10.359 11.913 8.391 1.00 95.84 C +ATOM 2095 O VAL A 263 -10.066 11.396 7.307 1.00 95.72 O +ATOM 2096 CB VAL A 263 -8.583 12.019 10.181 1.00 95.60 C +ATOM 2097 CG1 VAL A 263 -7.538 12.890 10.873 1.00 95.14 C +ATOM 2098 CG2 VAL A 263 -7.864 10.801 9.604 1.00 95.10 C +ATOM 2099 N TYR A 264 -11.548 11.760 8.938 1.00 95.86 N +ATOM 2100 CA TYR A 264 -12.606 11.030 8.229 1.00 95.83 C +ATOM 2101 C TYR A 264 -13.059 11.742 6.961 1.00 95.76 C +ATOM 2102 O TYR A 264 -13.328 11.092 5.943 1.00 95.47 O +ATOM 2103 CB TYR A 264 -13.774 10.795 9.170 1.00 95.77 C +ATOM 2104 CG TYR A 264 -14.853 9.915 8.551 1.00 95.69 C +ATOM 2105 CD1 TYR A 264 -14.517 8.611 8.131 1.00 95.32 C +ATOM 2106 CD2 TYR A 264 -16.164 10.402 8.362 1.00 95.14 C +ATOM 2107 CE1 TYR A 264 -15.502 7.784 7.553 1.00 94.72 C +ATOM 2108 CE2 TYR A 264 -17.148 9.585 7.788 1.00 94.76 C +ATOM 2109 CZ TYR A 264 -16.813 8.270 7.387 1.00 94.81 C +ATOM 2110 OH TYR A 264 -17.762 7.448 6.829 1.00 94.33 O +ATOM 2111 N HIS A 265 -13.072 13.056 6.960 1.00 95.37 N +ATOM 2112 CA HIS A 265 -13.339 13.834 5.755 1.00 95.10 C +ATOM 2113 C HIS A 265 -12.284 13.580 4.674 1.00 95.34 C +ATOM 2114 O HIS A 265 -12.622 13.386 3.519 1.00 94.86 O +ATOM 2115 CB HIS A 265 -13.438 15.321 6.115 1.00 94.47 C +ATOM 2116 CG HIS A 265 -14.588 16.006 5.439 1.00 91.70 C +ATOM 2117 ND1 HIS A 265 -15.873 16.094 5.956 1.00 85.34 N1+ +ATOM 2118 CD2 HIS A 265 -14.581 16.636 4.224 1.00 82.42 C +ATOM 2119 CE1 HIS A 265 -16.620 16.786 5.075 1.00 79.73 C +ATOM 2120 NE2 HIS A 265 -15.863 17.122 4.021 1.00 80.55 N +ATOM 2121 N LEU A 266 -11.045 13.485 5.081 1.00 95.70 N +ATOM 2122 CA LEU A 266 -9.941 13.133 4.191 1.00 95.62 C +ATOM 2123 C LEU A 266 -10.115 11.723 3.598 1.00 95.90 C +ATOM 2124 O LEU A 266 -9.930 11.538 2.395 1.00 95.59 O +ATOM 2125 CB LEU A 266 -8.632 13.260 4.974 1.00 95.03 C +ATOM 2126 CG LEU A 266 -7.378 13.183 4.085 1.00 92.05 C +ATOM 2127 CD1 LEU A 266 -6.138 13.044 4.970 1.00 89.38 C +ATOM 2128 CD2 LEU A 266 -7.241 14.450 3.248 1.00 85.83 C +ATOM 2129 N MET A 267 -10.534 10.741 4.397 1.00 95.93 N +ATOM 2130 CA MET A 267 -10.875 9.415 3.860 1.00 95.79 C +ATOM 2131 C MET A 267 -11.985 9.505 2.811 1.00 95.80 C +ATOM 2132 O MET A 267 -11.870 8.904 1.744 1.00 95.42 O +ATOM 2133 CB MET A 267 -11.353 8.470 4.971 1.00 95.47 C +ATOM 2134 CG MET A 267 -10.307 8.148 6.038 1.00 93.77 C +ATOM 2135 SD MET A 267 -10.991 7.075 7.319 1.00 92.44 S +ATOM 2136 CE MET A 267 -9.757 7.297 8.591 1.00 88.78 C +ATOM 2137 N LYS A 268 -13.035 10.256 3.096 1.00 95.81 N +ATOM 2138 CA LYS A 268 -14.154 10.432 2.161 1.00 95.62 C +ATOM 2139 C LYS A 268 -13.726 11.096 0.858 1.00 95.75 C +ATOM 2140 O LYS A 268 -14.215 10.682 -0.181 1.00 95.25 O +ATOM 2141 CB LYS A 268 -15.292 11.217 2.810 1.00 95.14 C +ATOM 2142 CG LYS A 268 -16.030 10.374 3.871 1.00 93.12 C +ATOM 2143 CD LYS A 268 -17.269 11.088 4.402 1.00 90.79 C +ATOM 2144 CE LYS A 268 -18.375 11.095 3.341 1.00 86.79 C +ATOM 2145 NZ LYS A 268 -19.639 11.680 3.879 1.00 82.00 N1+ +ATOM 2146 N ASN A 269 -12.816 12.051 0.902 1.00 95.94 N +ATOM 2147 CA ASN A 269 -12.270 12.666 -0.299 1.00 95.80 C +ATOM 2148 C ASN A 269 -11.488 11.648 -1.148 1.00 95.98 C +ATOM 2149 O ASN A 269 -11.565 11.674 -2.377 1.00 95.68 O +ATOM 2150 CB ASN A 269 -11.374 13.844 0.096 1.00 95.42 C +ATOM 2151 CG ASN A 269 -12.097 15.005 0.724 1.00 93.91 C +ATOM 2152 OD1 ASN A 269 -13.319 15.101 0.711 1.00 90.34 O +ATOM 2153 ND2 ASN A 269 -11.360 15.921 1.310 1.00 85.85 N +ATOM 2154 N CYS A 270 -10.799 10.696 -0.510 1.00 96.00 N +ATOM 2155 CA CYS A 270 -10.162 9.574 -1.215 1.00 96.01 C +ATOM 2156 C CYS A 270 -11.185 8.594 -1.821 1.00 95.97 C +ATOM 2157 O CYS A 270 -10.832 7.810 -2.696 1.00 95.72 O +ATOM 2158 CB CYS A 270 -9.216 8.828 -0.261 1.00 96.07 C +ATOM 2159 SG CYS A 270 -7.889 9.879 0.369 1.00 96.13 S +ATOM 2160 N TRP A 271 -12.420 8.616 -1.361 1.00 95.69 N +ATOM 2161 CA TRP A 271 -13.515 7.762 -1.816 1.00 95.66 C +ATOM 2162 C TRP A 271 -14.565 8.499 -2.646 1.00 95.48 C +ATOM 2163 O TRP A 271 -15.725 8.070 -2.698 1.00 95.10 O +ATOM 2164 CB TRP A 271 -14.155 7.077 -0.610 1.00 95.73 C +ATOM 2165 CG TRP A 271 -13.254 6.263 0.258 1.00 96.01 C +ATOM 2166 CD1 TRP A 271 -12.151 5.594 -0.128 1.00 95.77 C +ATOM 2167 CD2 TRP A 271 -13.403 6.037 1.697 1.00 95.92 C +ATOM 2168 NE1 TRP A 271 -11.600 4.956 0.984 1.00 95.55 N +ATOM 2169 CE2 TRP A 271 -12.351 5.209 2.110 1.00 95.71 C +ATOM 2170 CE3 TRP A 271 -14.333 6.461 2.658 1.00 95.75 C +ATOM 2171 CZ2 TRP A 271 -12.206 4.776 3.463 1.00 95.51 C +ATOM 2172 CZ3 TRP A 271 -14.187 6.026 4.001 1.00 95.46 C +ATOM 2173 CH2 TRP A 271 -13.144 5.192 4.393 1.00 95.31 C +ATOM 2174 N GLU A 272 -14.189 9.589 -3.263 1.00 96.20 N +ATOM 2175 CA GLU A 272 -15.041 10.211 -4.289 1.00 96.01 C +ATOM 2176 C GLU A 272 -15.336 9.212 -5.421 1.00 96.02 C +ATOM 2177 O GLU A 272 -14.445 8.500 -5.895 1.00 95.47 O +ATOM 2178 CB GLU A 272 -14.360 11.460 -4.849 1.00 95.49 C +ATOM 2179 CG GLU A 272 -14.413 12.650 -3.890 1.00 93.37 C +ATOM 2180 CD GLU A 272 -15.830 13.193 -3.631 1.00 91.43 C +ATOM 2181 OE1 GLU A 272 -16.007 13.877 -2.615 1.00 79.90 O +ATOM 2182 OE2 GLU A 272 -16.728 12.885 -4.436 1.00 78.20 O +ATOM 2183 N THR A 273 -16.575 9.158 -5.841 1.00 94.92 N +ATOM 2184 CA THR A 273 -16.998 8.246 -6.919 1.00 94.81 C +ATOM 2185 C THR A 273 -16.284 8.560 -8.229 1.00 94.81 C +ATOM 2186 O THR A 273 -15.733 7.654 -8.847 1.00 94.25 O +ATOM 2187 CB THR A 273 -18.519 8.301 -7.107 1.00 94.26 C +ATOM 2188 OG1 THR A 273 -19.166 7.972 -5.905 1.00 92.39 O +ATOM 2189 CG2 THR A 273 -19.006 7.326 -8.170 1.00 91.34 C +ATOM 2190 N GLU A 274 -16.264 9.820 -8.585 1.00 94.76 N +ATOM 2191 CA GLU A 274 -15.470 10.295 -9.717 1.00 94.53 C +ATOM 2192 C GLU A 274 -13.983 10.316 -9.358 1.00 94.84 C +ATOM 2193 O GLU A 274 -13.559 11.040 -8.443 1.00 94.15 O +ATOM 2194 CB GLU A 274 -15.931 11.685 -10.150 1.00 93.41 C +ATOM 2195 CG GLU A 274 -17.103 11.636 -11.127 1.00 86.70 C +ATOM 2196 CD GLU A 274 -16.735 10.969 -12.460 1.00 82.50 C +ATOM 2197 OE1 GLU A 274 -17.613 10.301 -13.030 1.00 70.98 O +ATOM 2198 OE2 GLU A 274 -15.553 11.062 -12.863 1.00 68.59 O +ATOM 2199 N ALA A 275 -13.190 9.573 -10.109 1.00 95.01 N +ATOM 2200 CA ALA A 275 -11.752 9.456 -9.850 1.00 94.94 C +ATOM 2201 C ALA A 275 -11.036 10.808 -9.893 1.00 95.01 C +ATOM 2202 O ALA A 275 -10.141 11.066 -9.087 1.00 94.28 O +ATOM 2203 CB ALA A 275 -11.187 8.487 -10.885 1.00 94.39 C +ATOM 2204 N SER A 276 -11.461 11.706 -10.779 1.00 94.68 N +ATOM 2205 CA SER A 276 -10.905 13.054 -10.932 1.00 94.52 C +ATOM 2206 C SER A 276 -11.108 13.966 -9.722 1.00 94.88 C +ATOM 2207 O SER A 276 -10.388 14.951 -9.589 1.00 93.96 O +ATOM 2208 CB SER A 276 -11.522 13.709 -12.167 1.00 93.28 C +ATOM 2209 OG SER A 276 -12.937 13.693 -12.090 1.00 86.08 O +ATOM 2210 N PHE A 277 -12.051 13.676 -8.873 1.00 95.03 N +ATOM 2211 CA PHE A 277 -12.329 14.468 -7.666 1.00 94.93 C +ATOM 2212 C PHE A 277 -11.515 14.021 -6.456 1.00 95.09 C +ATOM 2213 O PHE A 277 -11.484 14.720 -5.443 1.00 94.64 O +ATOM 2214 CB PHE A 277 -13.816 14.434 -7.351 1.00 94.63 C +ATOM 2215 CG PHE A 277 -14.738 15.017 -8.411 1.00 94.07 C +ATOM 2216 CD1 PHE A 277 -14.261 15.810 -9.459 1.00 92.88 C +ATOM 2217 CD2 PHE A 277 -16.126 14.783 -8.312 1.00 92.12 C +ATOM 2218 CE1 PHE A 277 -15.136 16.355 -10.424 1.00 90.58 C +ATOM 2219 CE2 PHE A 277 -17.007 15.300 -9.263 1.00 91.04 C +ATOM 2220 CZ PHE A 277 -16.501 16.081 -10.321 1.00 91.11 C +ATOM 2221 N ARG A 278 -10.834 12.894 -6.535 1.00 95.55 N +ATOM 2222 CA ARG A 278 -9.966 12.431 -5.459 1.00 95.58 C +ATOM 2223 C ARG A 278 -8.680 13.255 -5.426 1.00 95.49 C +ATOM 2224 O ARG A 278 -8.151 13.618 -6.477 1.00 95.16 O +ATOM 2225 CB ARG A 278 -9.646 10.939 -5.621 1.00 95.60 C +ATOM 2226 CG ARG A 278 -10.913 10.073 -5.680 1.00 95.62 C +ATOM 2227 CD ARG A 278 -10.588 8.611 -5.942 1.00 95.38 C +ATOM 2228 NE ARG A 278 -11.782 7.914 -6.437 1.00 95.25 N +ATOM 2229 CZ ARG A 278 -11.830 6.894 -7.270 1.00 95.33 C +ATOM 2230 NH1 ARG A 278 -10.757 6.287 -7.681 1.00 94.67 N +ATOM 2231 NH2 ARG A 278 -12.971 6.470 -7.698 1.00 94.75 N1+ +ATOM 2232 N PRO A 279 -8.125 13.540 -4.247 1.00 95.87 N +ATOM 2233 CA PRO A 279 -6.818 14.185 -4.156 1.00 95.82 C +ATOM 2234 C PRO A 279 -5.725 13.287 -4.734 1.00 95.95 C +ATOM 2235 O PRO A 279 -5.862 12.068 -4.770 1.00 95.56 O +ATOM 2236 CB PRO A 279 -6.615 14.447 -2.663 1.00 95.52 C +ATOM 2237 CG PRO A 279 -7.429 13.336 -1.990 1.00 94.90 C +ATOM 2238 CD PRO A 279 -8.617 13.159 -2.929 1.00 95.58 C +ATOM 2239 N THR A 280 -4.635 13.860 -5.154 1.00 96.14 N +ATOM 2240 CA THR A 280 -3.416 13.095 -5.457 1.00 96.09 C +ATOM 2241 C THR A 280 -2.622 12.812 -4.180 1.00 96.19 C +ATOM 2242 O THR A 280 -2.831 13.462 -3.158 1.00 95.93 O +ATOM 2243 CB THR A 280 -2.535 13.826 -6.484 1.00 95.85 C +ATOM 2244 OG1 THR A 280 -1.965 14.976 -5.913 1.00 95.41 O +ATOM 2245 CG2 THR A 280 -3.293 14.229 -7.741 1.00 95.33 C +ATOM 2246 N PHE A 281 -1.672 11.894 -4.231 1.00 96.24 N +ATOM 2247 CA PHE A 281 -0.763 11.682 -3.103 1.00 96.26 C +ATOM 2248 C PHE A 281 0.070 12.926 -2.790 1.00 96.23 C +ATOM 2249 O PHE A 281 0.252 13.234 -1.620 1.00 95.98 O +ATOM 2250 CB PHE A 281 0.121 10.466 -3.374 1.00 96.30 C +ATOM 2251 CG PHE A 281 -0.621 9.154 -3.231 1.00 96.48 C +ATOM 2252 CD1 PHE A 281 -1.124 8.765 -1.976 1.00 96.22 C +ATOM 2253 CD2 PHE A 281 -0.817 8.315 -4.335 1.00 96.25 C +ATOM 2254 CE1 PHE A 281 -1.832 7.559 -1.827 1.00 96.00 C +ATOM 2255 CE2 PHE A 281 -1.516 7.095 -4.193 1.00 96.02 C +ATOM 2256 CZ PHE A 281 -2.028 6.727 -2.943 1.00 96.01 C +ATOM 2257 N GLU A 282 0.474 13.689 -3.804 1.00 96.30 N +ATOM 2258 CA GLU A 282 1.146 14.975 -3.591 1.00 96.04 C +ATOM 2259 C GLU A 282 0.282 15.980 -2.834 1.00 96.23 C +ATOM 2260 O GLU A 282 0.795 16.713 -1.981 1.00 95.59 O +ATOM 2261 CB GLU A 282 1.575 15.615 -4.929 1.00 95.22 C +ATOM 2262 CG GLU A 282 2.835 14.952 -5.514 1.00 88.02 C +ATOM 2263 CD GLU A 282 3.400 15.737 -6.703 1.00 84.17 C +ATOM 2264 OE1 GLU A 282 4.640 15.669 -6.910 1.00 70.63 O +ATOM 2265 OE2 GLU A 282 2.613 16.407 -7.413 1.00 68.51 O +ATOM 2266 N ASN A 283 -1.009 15.995 -3.083 1.00 95.89 N +ATOM 2267 CA ASN A 283 -1.912 16.859 -2.331 1.00 95.83 C +ATOM 2268 C ASN A 283 -2.123 16.371 -0.895 1.00 95.99 C +ATOM 2269 O ASN A 283 -2.314 17.175 0.007 1.00 95.59 O +ATOM 2270 CB ASN A 283 -3.283 16.946 -3.029 1.00 95.41 C +ATOM 2271 CG ASN A 283 -3.232 17.428 -4.463 1.00 93.83 C +ATOM 2272 OD1 ASN A 283 -3.874 16.857 -5.323 1.00 91.10 O +ATOM 2273 ND2 ASN A 283 -2.488 18.465 -4.764 1.00 87.87 N +ATOM 2274 N LEU A 284 -2.080 15.081 -0.681 1.00 96.08 N +ATOM 2275 CA LEU A 284 -2.309 14.465 0.627 1.00 96.12 C +ATOM 2276 C LEU A 284 -1.145 14.668 1.591 1.00 96.14 C +ATOM 2277 O LEU A 284 -1.380 14.864 2.785 1.00 95.89 O +ATOM 2278 CB LEU A 284 -2.576 12.960 0.446 1.00 96.16 C +ATOM 2279 CG LEU A 284 -3.955 12.639 -0.155 1.00 96.00 C +ATOM 2280 CD1 LEU A 284 -4.014 11.163 -0.551 1.00 95.65 C +ATOM 2281 CD2 LEU A 284 -5.072 12.888 0.849 1.00 95.47 C +ATOM 2282 N ILE A 285 0.090 14.689 1.101 1.00 96.07 N +ATOM 2283 CA ILE A 285 1.298 14.857 1.923 1.00 96.08 C +ATOM 2284 C ILE A 285 1.240 16.101 2.813 1.00 96.08 C +ATOM 2285 O ILE A 285 1.323 15.968 4.037 1.00 95.87 O +ATOM 2286 CB ILE A 285 2.571 14.812 1.053 1.00 95.95 C +ATOM 2287 CG1 ILE A 285 2.805 13.399 0.495 1.00 95.60 C +ATOM 2288 CG2 ILE A 285 3.811 15.245 1.853 1.00 95.50 C +ATOM 2289 CD1 ILE A 285 3.715 13.399 -0.746 1.00 94.56 C +ATOM 2290 N PRO A 286 1.078 17.329 2.279 1.00 95.78 N +ATOM 2291 CA PRO A 286 1.061 18.523 3.118 1.00 95.62 C +ATOM 2292 C PRO A 286 -0.136 18.569 4.070 1.00 95.69 C +ATOM 2293 O PRO A 286 -0.016 19.050 5.198 1.00 95.21 O +ATOM 2294 CB PRO A 286 1.056 19.716 2.140 1.00 95.24 C +ATOM 2295 CG PRO A 286 0.459 19.125 0.864 1.00 94.42 C +ATOM 2296 CD PRO A 286 0.970 17.683 0.888 1.00 95.16 C +ATOM 2297 N ILE A 287 -1.275 18.032 3.664 1.00 95.78 N +ATOM 2298 CA ILE A 287 -2.469 17.927 4.505 1.00 95.67 C +ATOM 2299 C ILE A 287 -2.185 17.022 5.703 1.00 95.76 C +ATOM 2300 O ILE A 287 -2.363 17.437 6.860 1.00 95.42 O +ATOM 2301 CB ILE A 287 -3.693 17.424 3.699 1.00 95.35 C +ATOM 2302 CG1 ILE A 287 -4.038 18.412 2.568 1.00 94.21 C +ATOM 2303 CG2 ILE A 287 -4.902 17.233 4.622 1.00 93.79 C +ATOM 2304 CD1 ILE A 287 -5.058 17.883 1.558 1.00 91.50 C +ATOM 2305 N LEU A 288 -1.670 15.821 5.459 1.00 95.65 N +ATOM 2306 CA LEU A 288 -1.321 14.875 6.533 1.00 95.59 C +ATOM 2307 C LEU A 288 -0.202 15.402 7.426 1.00 95.60 C +ATOM 2308 O LEU A 288 -0.272 15.190 8.632 1.00 95.28 O +ATOM 2309 CB LEU A 288 -0.945 13.534 5.917 1.00 95.51 C +ATOM 2310 CG LEU A 288 -2.156 12.754 5.395 1.00 95.11 C +ATOM 2311 CD1 LEU A 288 -1.674 11.596 4.536 1.00 94.50 C +ATOM 2312 CD2 LEU A 288 -2.981 12.154 6.554 1.00 94.32 C +ATOM 2313 N LYS A 289 0.760 16.122 6.874 1.00 95.07 N +ATOM 2314 CA LYS A 289 1.812 16.803 7.664 1.00 94.95 C +ATOM 2315 C LYS A 289 1.213 17.773 8.663 1.00 95.08 C +ATOM 2316 O LYS A 289 1.523 17.703 9.840 1.00 94.50 O +ATOM 2317 CB LYS A 289 2.776 17.535 6.714 1.00 94.14 C +ATOM 2318 CG LYS A 289 4.215 17.118 6.989 1.00 89.82 C +ATOM 2319 CD LYS A 289 5.148 17.690 5.927 1.00 85.83 C +ATOM 2320 CE LYS A 289 6.586 17.205 6.187 1.00 79.20 C +ATOM 2321 NZ LYS A 289 7.487 17.475 5.048 1.00 72.65 N1+ +ATOM 2322 N THR A 290 0.315 18.611 8.203 1.00 94.93 N +ATOM 2323 CA THR A 290 -0.363 19.597 9.049 1.00 94.81 C +ATOM 2324 C THR A 290 -1.210 18.949 10.132 1.00 94.92 C +ATOM 2325 O THR A 290 -1.157 19.341 11.300 1.00 94.24 O +ATOM 2326 CB THR A 290 -1.258 20.519 8.195 1.00 94.26 C +ATOM 2327 OG1 THR A 290 -0.484 21.149 7.204 1.00 91.69 O +ATOM 2328 CG2 THR A 290 -1.922 21.604 9.021 1.00 90.46 C +ATOM 2329 N VAL A 291 -1.955 17.913 9.762 1.00 94.65 N +ATOM 2330 CA VAL A 291 -2.785 17.184 10.733 1.00 94.55 C +ATOM 2331 C VAL A 291 -1.914 16.423 11.737 1.00 94.55 C +ATOM 2332 O VAL A 291 -2.175 16.489 12.931 1.00 93.96 O +ATOM 2333 CB VAL A 291 -3.762 16.246 9.994 1.00 94.07 C +ATOM 2334 CG1 VAL A 291 -4.739 17.029 9.107 1.00 92.27 C +ATOM 2335 CG2 VAL A 291 -4.632 15.460 10.970 1.00 91.98 C +ATOM 2336 N HIS A 292 -0.854 15.798 11.299 1.00 94.72 N +ATOM 2337 CA HIS A 292 0.099 15.114 12.179 1.00 94.56 C +ATOM 2338 C HIS A 292 0.718 16.070 13.201 1.00 94.40 C +ATOM 2339 O HIS A 292 0.723 15.768 14.400 1.00 93.65 O +ATOM 2340 CB HIS A 292 1.175 14.438 11.337 1.00 94.23 C +ATOM 2341 CG HIS A 292 2.349 13.970 12.134 1.00 93.31 C +ATOM 2342 ND1 HIS A 292 2.282 13.083 13.191 1.00 89.37 N1+ +ATOM 2343 CD2 HIS A 292 3.648 14.378 12.032 1.00 88.58 C +ATOM 2344 CE1 HIS A 292 3.521 12.952 13.707 1.00 88.54 C +ATOM 2345 NE2 HIS A 292 4.368 13.733 13.022 1.00 90.19 N +ATOM 2346 N GLU A 293 1.204 17.232 12.772 1.00 93.04 N +ATOM 2347 CA GLU A 293 1.768 18.242 13.678 1.00 92.71 C +ATOM 2348 C GLU A 293 0.747 18.723 14.712 1.00 92.71 C +ATOM 2349 O GLU A 293 1.062 18.772 15.892 1.00 91.87 O +ATOM 2350 CB GLU A 293 2.290 19.437 12.871 1.00 91.27 C +ATOM 2351 CG GLU A 293 3.614 19.111 12.180 1.00 81.82 C +ATOM 2352 CD GLU A 293 4.183 20.268 11.369 1.00 77.31 C +ATOM 2353 OE1 GLU A 293 5.341 20.122 10.879 1.00 66.46 O +ATOM 2354 OE2 GLU A 293 3.501 21.318 11.229 1.00 62.95 O +ATOM 2355 N LYS A 294 -0.472 18.936 14.289 1.00 93.05 N +ATOM 2356 CA LYS A 294 -1.566 19.336 15.171 1.00 93.00 C +ATOM 2357 C LYS A 294 -1.786 18.331 16.308 1.00 93.08 C +ATOM 2358 O LYS A 294 -1.938 18.731 17.448 1.00 92.16 O +ATOM 2359 CB LYS A 294 -2.825 19.521 14.326 1.00 92.34 C +ATOM 2360 CG LYS A 294 -4.072 19.935 15.131 1.00 89.28 C +ATOM 2361 CD LYS A 294 -5.267 20.016 14.185 1.00 86.57 C +ATOM 2362 CE LYS A 294 -6.565 20.295 14.947 1.00 81.33 C +ATOM 2363 NZ LYS A 294 -7.727 20.158 14.011 1.00 72.75 N1+ +ATOM 2364 N TYR A 295 -1.804 17.045 15.996 1.00 92.97 N +ATOM 2365 CA TYR A 295 -2.040 16.012 17.018 1.00 93.12 C +ATOM 2366 C TYR A 295 -0.786 15.625 17.797 1.00 92.91 C +ATOM 2367 O TYR A 295 -0.898 15.152 18.930 1.00 91.77 O +ATOM 2368 CB TYR A 295 -2.688 14.810 16.370 1.00 92.96 C +ATOM 2369 CG TYR A 295 -4.140 15.060 16.004 1.00 93.12 C +ATOM 2370 CD1 TYR A 295 -5.126 15.144 17.018 1.00 92.29 C +ATOM 2371 CD2 TYR A 295 -4.505 15.305 14.673 1.00 91.97 C +ATOM 2372 CE1 TYR A 295 -6.442 15.473 16.684 1.00 91.11 C +ATOM 2373 CE2 TYR A 295 -5.830 15.632 14.338 1.00 91.66 C +ATOM 2374 CZ TYR A 295 -6.786 15.730 15.342 1.00 91.88 C +ATOM 2375 OH TYR A 295 -8.064 16.086 15.017 1.00 90.34 O +ATOM 2376 N ARG A 296 0.395 15.884 17.294 1.00 89.23 N +ATOM 2377 CA ARG A 296 1.649 15.655 17.992 1.00 88.07 C +ATOM 2378 C ARG A 296 1.805 16.583 19.186 1.00 87.34 C +ATOM 2379 O ARG A 296 2.268 16.149 20.237 1.00 85.15 O +ATOM 2380 CB ARG A 296 2.820 15.803 17.024 1.00 86.46 C +ATOM 2381 CG ARG A 296 4.078 15.119 17.574 1.00 80.62 C +ATOM 2382 CD ARG A 296 5.261 15.297 16.627 1.00 79.82 C +ATOM 2383 NE ARG A 296 5.940 16.569 16.843 1.00 76.00 N +ATOM 2384 CZ ARG A 296 7.068 16.983 16.280 1.00 70.93 C +ATOM 2385 NH1 ARG A 296 7.652 16.262 15.356 1.00 65.75 N +ATOM 2386 NH2 ARG A 296 7.621 18.079 16.633 1.00 63.80 N1+ +ATOM 2387 N HIS A 297 1.414 17.830 19.060 1.00 80.31 N +ATOM 2388 CA HIS A 297 1.521 18.819 20.123 1.00 79.93 C +ATOM 2389 C HIS A 297 0.552 18.579 21.296 1.00 79.74 C +ATOM 2390 O HIS A 297 0.878 18.912 22.416 1.00 75.99 O +ATOM 2391 CB HIS A 297 1.351 20.219 19.550 1.00 76.66 C +ATOM 2392 CG HIS A 297 2.582 20.658 18.780 1.00 73.54 C +ATOM 2393 ND1 HIS A 297 3.874 20.762 19.306 1.00 63.98 N1+ +ATOM 2394 CD2 HIS A 297 2.671 20.988 17.444 1.00 64.66 C +ATOM 2395 CE1 HIS A 297 4.703 21.144 18.325 1.00 63.40 C +ATOM 2396 NE2 HIS A 297 4.015 21.291 17.172 1.00 63.41 N +ATOM 2397 N HIS A 298 -0.555 17.921 21.053 1.00 71.77 N +ATOM 2398 CA HIS A 298 -1.527 17.619 22.125 1.00 70.75 C +ATOM 2399 C HIS A 298 -1.044 16.563 23.109 1.00 70.83 C +ATOM 2400 O HIS A 298 -1.518 16.539 24.223 1.00 66.94 O +ATOM 2401 CB HIS A 298 -2.851 17.229 21.485 1.00 66.28 C +ATOM 2402 CG HIS A 298 -3.635 18.402 20.996 1.00 64.76 C +ATOM 2403 ND1 HIS A 298 -4.060 19.471 21.794 1.00 53.98 N1+ +ATOM 2404 CD2 HIS A 298 -4.097 18.643 19.720 1.00 54.40 C +ATOM 2405 CE1 HIS A 298 -4.741 20.317 21.023 1.00 52.01 C +ATOM 2406 NE2 HIS A 298 -4.787 19.855 19.740 1.00 55.10 N +ATOM 2407 N HIS A 299 -0.095 15.721 22.737 1.00 63.19 N +ATOM 2408 CA HIS A 299 0.458 14.682 23.634 1.00 62.52 C +ATOM 2409 C HIS A 299 1.571 15.176 24.566 1.00 62.80 C +ATOM 2410 O HIS A 299 1.962 14.439 25.457 1.00 58.15 O +ATOM 2411 CB HIS A 299 0.906 13.476 22.827 1.00 58.10 C +ATOM 2412 CG HIS A 299 -0.221 12.509 22.575 1.00 55.61 C +ATOM 2413 ND1 HIS A 299 -0.902 11.810 23.559 1.00 47.72 N1+ +ATOM 2414 CD2 HIS A 299 -0.783 12.136 21.376 1.00 48.07 C +ATOM 2415 CE1 HIS A 299 -1.827 11.044 23.005 1.00 46.17 C +ATOM 2416 NE2 HIS A 299 -1.781 11.223 21.660 1.00 48.58 N +ATOM 2417 N HIS A 300 2.071 16.399 24.393 1.00 56.34 N +ATOM 2418 CA HIS A 300 3.079 16.977 25.296 1.00 54.18 C +ATOM 2419 C HIS A 300 2.497 17.888 26.400 1.00 55.25 C +ATOM 2420 O HIS A 300 3.257 18.450 27.199 1.00 51.87 O +ATOM 2421 CB HIS A 300 4.139 17.707 24.469 1.00 49.99 C +ATOM 2422 CG HIS A 300 5.096 16.778 23.780 1.00 46.80 C +ATOM 2423 ND1 HIS A 300 5.707 15.664 24.352 1.00 41.25 N1+ +ATOM 2424 CD2 HIS A 300 5.628 16.886 22.518 1.00 40.55 C +ATOM 2425 CE1 HIS A 300 6.533 15.108 23.474 1.00 37.54 C +ATOM 2426 NE2 HIS A 300 6.520 15.829 22.326 1.00 41.51 N +ATOM 2427 N HIS A 301 1.201 18.005 26.460 1.00 58.95 N +ATOM 2428 CA HIS A 301 0.510 18.874 27.440 1.00 56.98 C +ATOM 2429 C HIS A 301 -0.400 18.110 28.409 1.00 57.07 C +ATOM 2430 O HIS A 301 -1.208 18.726 29.076 1.00 52.55 O +ATOM 2431 CB HIS A 301 -0.233 19.971 26.687 1.00 52.63 C +ATOM 2432 CG HIS A 301 0.676 21.035 26.159 1.00 49.80 C +ATOM 2433 ND1 HIS A 301 1.586 21.777 26.908 1.00 43.53 N1+ +ATOM 2434 CD2 HIS A 301 0.792 21.511 24.870 1.00 42.65 C +ATOM 2435 CE1 HIS A 301 2.211 22.641 26.121 1.00 39.92 C +ATOM 2436 NE2 HIS A 301 1.741 22.506 24.855 1.00 42.10 N +ATOM 2437 N HIS A 302 -0.281 16.800 28.471 1.00 51.28 N +ATOM 2438 CA HIS A 302 -1.004 15.970 29.457 1.00 48.50 C +ATOM 2439 C HIS A 302 -0.045 15.016 30.202 1.00 48.24 C +ATOM 2440 O HIS A 302 0.866 14.491 29.542 1.00 43.28 O +ATOM 2441 CB HIS A 302 -2.124 15.189 28.777 1.00 44.25 C +ATOM 2442 CG HIS A 302 -3.341 16.046 28.509 1.00 41.62 C +ATOM 2443 ND1 HIS A 302 -4.002 16.808 29.446 1.00 36.66 N1+ +ATOM 2444 CD2 HIS A 302 -4.035 16.197 27.342 1.00 35.11 C +ATOM 2445 CE1 HIS A 302 -5.038 17.397 28.890 1.00 33.05 C +ATOM 2446 NE2 HIS A 302 -5.097 17.071 27.602 1.00 35.68 N +HETATM 2447 O1 LIG Z 1 6.900 -8.986 2.172 1.00 88.68 O +HETATM 2448 C1 LIG Z 1 6.145 -9.338 3.091 1.00 91.00 C +HETATM 2449 N1 LIG Z 1 6.524 -9.436 4.365 1.00 90.94 N +HETATM 2450 C2 LIG Z 1 7.759 -9.087 4.877 1.00 93.08 C +HETATM 2451 C3 LIG Z 1 8.831 -8.578 4.153 1.00 93.41 C +HETATM 2452 C4 LIG Z 1 10.001 -8.205 4.864 1.00 94.23 C +HETATM 2453 N2 LIG Z 1 10.068 -8.327 6.190 1.00 94.15 N +HETATM 2454 C5 LIG Z 1 9.002 -8.856 6.885 1.00 94.07 C +HETATM 2455 N3 LIG Z 1 9.077 -8.930 8.245 1.00 93.26 N +HETATM 2456 C6 LIG Z 1 8.256 -9.660 9.113 1.00 92.28 C +HETATM 2457 O2 LIG Z 1 7.295 -10.360 8.770 1.00 90.22 O +HETATM 2458 C7 LIG Z 1 8.610 -9.525 10.567 1.00 91.82 C +HETATM 2459 C8 LIG Z 1 7.497 -9.479 11.535 1.00 89.03 C +HETATM 2460 C9 LIG Z 1 8.086 -9.926 12.816 1.00 86.38 C +HETATM 2461 C10 LIG Z 1 9.267 -10.608 12.525 1.00 87.56 C +HETATM 2462 C11 LIG Z 1 9.442 -10.610 11.056 1.00 88.26 C +HETATM 2463 C12 LIG Z 1 7.826 -9.224 6.254 1.00 93.41 C +HETATM 2464 C13 LIG Z 1 4.761 -9.639 2.761 1.00 89.94 C +HETATM 2465 C14 LIG Z 1 4.186 -10.900 2.964 1.00 85.19 C +HETATM 2466 CL1 LIG Z 1 5.099 -12.184 3.633 1.00 82.76 CL +HETATM 2467 C15 LIG Z 1 2.855 -11.169 2.647 1.00 83.35 C +HETATM 2468 C16 LIG Z 1 2.061 -10.164 2.115 1.00 86.05 C +HETATM 2469 C17 LIG Z 1 2.600 -8.904 1.914 1.00 86.19 C +HETATM 2470 C18 LIG Z 1 3.931 -8.646 2.237 1.00 87.41 C +HETATM 2471 CL2 LIG Z 1 4.538 -7.047 2.009 1.00 85.48 CL +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2464 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 2463 +CONECT 2451 2450 2452 +CONECT 2452 2451 2453 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2463 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2462 +CONECT 2459 2458 2460 +CONECT 2460 2459 2461 +CONECT 2461 2460 2462 +CONECT 2462 2461 2458 +CONECT 2463 2454 2450 +CONECT 2464 2448 2465 2470 +CONECT 2465 2464 2466 2467 +CONECT 2466 2465 +CONECT 2467 2465 2468 +CONECT 2468 2467 2469 +CONECT 2469 2468 2470 +CONECT 2470 2469 2471 2464 +CONECT 2471 2470 diff --git a/cookbook/assets/of3_output/lig_ejm_50_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_ejm_50_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..f954b98 --- /dev/null +++ b/cookbook/assets/of3_output/lig_ejm_50_seed_42_sample_1_model.pdb @@ -0,0 +1,3092 @@ +ATOM 1 N MET A 1 44.765 -10.937 -13.062 1.00 34.36 N +ATOM 2 CA MET A 1 43.374 -10.843 -13.580 1.00 30.54 C +ATOM 3 C MET A 1 42.482 -10.594 -12.357 1.00 31.52 C +ATOM 4 O MET A 1 42.476 -11.438 -11.481 1.00 29.15 O +ATOM 5 CB MET A 1 42.944 -12.151 -14.253 1.00 28.54 C +ATOM 6 CG MET A 1 43.631 -12.287 -15.609 1.00 26.92 C +ATOM 7 SD MET A 1 43.363 -13.914 -16.399 1.00 23.70 S +ATOM 8 CE MET A 1 44.071 -13.640 -18.031 1.00 21.44 C +ATOM 9 N GLY A 2 41.893 -9.413 -12.274 1.00 33.71 N +ATOM 10 CA GLY A 2 40.969 -9.165 -11.219 1.00 31.56 C +ATOM 11 C GLY A 2 39.778 -10.109 -11.402 1.00 33.90 C +ATOM 12 O GLY A 2 39.351 -10.341 -12.509 1.00 32.57 O +ATOM 13 N SER A 3 39.276 -10.654 -10.315 1.00 41.87 N +ATOM 14 CA SER A 3 38.014 -11.372 -10.369 1.00 41.16 C +ATOM 15 C SER A 3 36.936 -10.411 -10.903 1.00 42.41 C +ATOM 16 O SER A 3 36.918 -9.271 -10.414 1.00 40.57 O +ATOM 17 CB SER A 3 37.619 -11.851 -8.966 1.00 37.07 C +ATOM 18 OG SER A 3 38.572 -12.713 -8.435 1.00 35.02 O +ATOM 19 N PRO A 4 36.163 -10.809 -11.888 1.00 46.17 N +ATOM 20 CA PRO A 4 35.088 -9.951 -12.324 1.00 44.38 C +ATOM 21 C PRO A 4 34.249 -9.621 -11.082 1.00 46.73 C +ATOM 22 O PRO A 4 33.933 -10.522 -10.324 1.00 43.30 O +ATOM 23 CB PRO A 4 34.309 -10.759 -13.353 1.00 39.31 C +ATOM 24 CG PRO A 4 34.644 -12.203 -13.034 1.00 38.61 C +ATOM 25 CD PRO A 4 36.060 -12.128 -12.475 1.00 39.56 C +ATOM 26 N ALA A 5 34.025 -8.332 -10.862 1.00 53.71 N +ATOM 27 CA ALA A 5 33.252 -7.911 -9.703 1.00 53.51 C +ATOM 28 C ALA A 5 31.907 -8.633 -9.759 1.00 55.73 C +ATOM 29 O ALA A 5 31.174 -8.502 -10.734 1.00 52.23 O +ATOM 30 CB ALA A 5 33.110 -6.385 -9.747 1.00 47.09 C +ATOM 31 N SER A 6 31.645 -9.458 -8.774 1.00 67.11 N +ATOM 32 CA SER A 6 30.413 -10.199 -8.704 1.00 67.82 C +ATOM 33 C SER A 6 29.268 -9.194 -8.671 1.00 69.52 C +ATOM 34 O SER A 6 29.280 -8.317 -7.816 1.00 65.04 O +ATOM 35 CB SER A 6 30.399 -11.079 -7.467 1.00 61.90 C +ATOM 36 OG SER A 6 29.160 -11.750 -7.355 1.00 55.30 O +ATOM 37 N ASP A 7 28.336 -9.328 -9.582 1.00 77.79 N +ATOM 38 CA ASP A 7 27.170 -8.472 -9.581 1.00 79.27 C +ATOM 39 C ASP A 7 26.432 -8.661 -8.238 1.00 81.13 C +ATOM 40 O ASP A 7 25.962 -9.758 -7.951 1.00 80.03 O +ATOM 41 CB ASP A 7 26.271 -8.818 -10.780 1.00 76.08 C +ATOM 42 CG ASP A 7 24.981 -7.998 -10.849 1.00 73.28 C +ATOM 43 OD1 ASP A 7 24.666 -7.224 -9.903 1.00 65.54 O +ATOM 44 OD2 ASP A 7 24.244 -8.165 -11.830 1.00 67.73 O +ATOM 45 N PRO A 8 26.327 -7.600 -7.411 1.00 85.23 N +ATOM 46 CA PRO A 8 25.758 -7.711 -6.082 1.00 85.75 C +ATOM 47 C PRO A 8 24.272 -8.016 -6.100 1.00 86.75 C +ATOM 48 O PRO A 8 23.710 -8.357 -5.063 1.00 84.09 O +ATOM 49 CB PRO A 8 26.070 -6.361 -5.422 1.00 82.22 C +ATOM 50 CG PRO A 8 26.101 -5.393 -6.588 1.00 79.27 C +ATOM 51 CD PRO A 8 26.730 -6.226 -7.702 1.00 82.45 C +ATOM 52 N THR A 9 23.617 -7.919 -7.252 1.00 89.34 N +ATOM 53 CA THR A 9 22.216 -8.270 -7.437 1.00 89.83 C +ATOM 54 C THR A 9 21.996 -9.747 -7.770 1.00 90.31 C +ATOM 55 O THR A 9 20.857 -10.202 -7.857 1.00 88.43 O +ATOM 56 CB THR A 9 21.551 -7.387 -8.495 1.00 88.29 C +ATOM 57 OG1 THR A 9 21.963 -7.709 -9.797 1.00 85.76 O +ATOM 58 CG2 THR A 9 21.802 -5.896 -8.270 1.00 85.75 C +ATOM 59 N VAL A 10 23.056 -10.528 -7.975 1.00 91.59 N +ATOM 60 CA VAL A 10 22.960 -11.958 -8.213 1.00 91.75 C +ATOM 61 C VAL A 10 23.170 -12.713 -6.905 1.00 92.26 C +ATOM 62 O VAL A 10 24.282 -12.809 -6.392 1.00 91.27 O +ATOM 63 CB VAL A 10 23.940 -12.420 -9.307 1.00 90.36 C +ATOM 64 CG1 VAL A 10 23.629 -11.728 -10.640 1.00 85.55 C +ATOM 65 CG2 VAL A 10 23.834 -13.931 -9.536 1.00 85.63 C +ATOM 66 N PHE A 11 22.130 -13.310 -6.420 1.00 92.53 N +ATOM 67 CA PHE A 11 22.170 -14.153 -5.236 1.00 92.82 C +ATOM 68 C PHE A 11 22.323 -15.631 -5.619 1.00 92.84 C +ATOM 69 O PHE A 11 21.611 -16.138 -6.480 1.00 92.19 O +ATOM 70 CB PHE A 11 20.911 -13.904 -4.378 1.00 92.92 C +ATOM 71 CG PHE A 11 20.962 -12.583 -3.634 1.00 93.74 C +ATOM 72 CD1 PHE A 11 21.222 -12.577 -2.261 1.00 92.87 C +ATOM 73 CD2 PHE A 11 20.778 -11.375 -4.296 1.00 92.67 C +ATOM 74 CE1 PHE A 11 21.307 -11.368 -1.551 1.00 92.09 C +ATOM 75 CE2 PHE A 11 20.891 -10.156 -3.609 1.00 92.56 C +ATOM 76 CZ PHE A 11 21.151 -10.149 -2.236 1.00 92.66 C +ATOM 77 N HIS A 12 23.212 -16.306 -4.977 1.00 91.51 N +ATOM 78 CA HIS A 12 23.439 -17.724 -5.225 1.00 91.41 C +ATOM 79 C HIS A 12 22.673 -18.599 -4.244 1.00 91.71 C +ATOM 80 O HIS A 12 22.875 -18.522 -3.028 1.00 90.63 O +ATOM 81 CB HIS A 12 24.917 -18.016 -5.190 1.00 90.10 C +ATOM 82 CG HIS A 12 25.679 -17.327 -6.282 1.00 88.28 C +ATOM 83 ND1 HIS A 12 25.648 -17.664 -7.612 1.00 80.10 N1+ +ATOM 84 CD2 HIS A 12 26.507 -16.250 -6.146 1.00 79.29 C +ATOM 85 CE1 HIS A 12 26.466 -16.827 -8.277 1.00 78.67 C +ATOM 86 NE2 HIS A 12 27.022 -15.952 -7.423 1.00 79.86 N +ATOM 87 N LYS A 13 21.866 -19.486 -4.768 1.00 90.46 N +ATOM 88 CA LYS A 13 20.997 -20.358 -3.973 1.00 90.68 C +ATOM 89 C LYS A 13 21.747 -21.177 -2.912 1.00 91.29 C +ATOM 90 O LYS A 13 21.223 -21.418 -1.836 1.00 89.79 O +ATOM 91 CB LYS A 13 20.178 -21.248 -4.912 1.00 88.47 C +ATOM 92 CG LYS A 13 19.034 -21.992 -4.225 1.00 77.70 C +ATOM 93 CD LYS A 13 18.086 -22.624 -5.264 1.00 73.33 C +ATOM 94 CE LYS A 13 16.851 -23.216 -4.600 1.00 66.96 C +ATOM 95 NZ LYS A 13 15.798 -23.552 -5.595 1.00 60.39 N1+ +ATOM 96 N ARG A 14 22.983 -21.557 -3.197 1.00 89.99 N +ATOM 97 CA ARG A 14 23.828 -22.313 -2.258 1.00 89.68 C +ATOM 98 C ARG A 14 24.169 -21.552 -0.972 1.00 90.12 C +ATOM 99 O ARG A 14 24.499 -22.211 0.007 1.00 88.41 O +ATOM 100 CB ARG A 14 25.123 -22.749 -2.975 1.00 88.09 C +ATOM 101 CG ARG A 14 26.017 -21.568 -3.392 1.00 82.02 C +ATOM 102 CD ARG A 14 27.285 -22.072 -4.098 1.00 78.59 C +ATOM 103 NE ARG A 14 28.147 -20.979 -4.509 1.00 73.35 N +ATOM 104 CZ ARG A 14 28.147 -20.346 -5.684 1.00 68.02 C +ATOM 105 NH1 ARG A 14 27.321 -20.667 -6.634 1.00 62.34 N +ATOM 106 NH2 ARG A 14 28.979 -19.397 -5.883 1.00 61.70 N1+ +ATOM 107 N TYR A 15 24.117 -20.239 -0.984 1.00 91.25 N +ATOM 108 CA TYR A 15 24.361 -19.382 0.176 1.00 91.48 C +ATOM 109 C TYR A 15 23.087 -18.910 0.882 1.00 91.83 C +ATOM 110 O TYR A 15 23.179 -18.272 1.926 1.00 90.89 O +ATOM 111 CB TYR A 15 25.220 -18.190 -0.233 1.00 91.02 C +ATOM 112 CG TYR A 15 26.534 -18.547 -0.922 1.00 90.82 C +ATOM 113 CD1 TYR A 15 27.401 -19.467 -0.325 1.00 88.37 C +ATOM 114 CD2 TYR A 15 26.886 -17.902 -2.127 1.00 87.81 C +ATOM 115 CE1 TYR A 15 28.637 -19.778 -0.935 1.00 86.58 C +ATOM 116 CE2 TYR A 15 28.114 -18.201 -2.745 1.00 87.31 C +ATOM 117 CZ TYR A 15 28.992 -19.128 -2.134 1.00 87.62 C +ATOM 118 OH TYR A 15 30.217 -19.394 -2.730 1.00 85.58 O +ATOM 119 N LEU A 16 21.940 -19.227 0.350 1.00 91.93 N +ATOM 120 CA LEU A 16 20.661 -18.955 0.958 1.00 92.29 C +ATOM 121 C LEU A 16 20.248 -20.080 1.903 1.00 92.20 C +ATOM 122 O LEU A 16 19.916 -21.178 1.475 1.00 91.01 O +ATOM 123 CB LEU A 16 19.596 -18.707 -0.124 1.00 91.84 C +ATOM 124 CG LEU A 16 19.683 -17.335 -0.821 1.00 90.20 C +ATOM 125 CD1 LEU A 16 18.729 -17.294 -2.017 1.00 89.15 C +ATOM 126 CD2 LEU A 16 19.265 -16.204 0.109 1.00 88.53 C +ATOM 127 N LYS A 17 20.181 -19.779 3.179 1.00 92.59 N +ATOM 128 CA LYS A 17 19.727 -20.695 4.225 1.00 92.29 C +ATOM 129 C LYS A 17 18.333 -20.251 4.701 1.00 92.44 C +ATOM 130 O LYS A 17 18.204 -19.207 5.339 1.00 91.33 O +ATOM 131 CB LYS A 17 20.745 -20.717 5.364 1.00 90.89 C +ATOM 132 CG LYS A 17 22.104 -21.295 4.918 1.00 84.53 C +ATOM 133 CD LYS A 17 23.179 -21.151 5.993 1.00 80.85 C +ATOM 134 CE LYS A 17 24.525 -21.607 5.436 1.00 75.65 C +ATOM 135 NZ LYS A 17 25.686 -21.178 6.276 1.00 66.98 N1+ +ATOM 136 N LYS A 18 17.341 -21.040 4.401 1.00 91.85 N +ATOM 137 CA LYS A 18 15.974 -20.746 4.828 1.00 91.86 C +ATOM 138 C LYS A 18 15.871 -20.826 6.364 1.00 91.83 C +ATOM 139 O LYS A 18 16.287 -21.791 6.949 1.00 90.82 O +ATOM 140 CB LYS A 18 14.979 -21.693 4.150 1.00 91.14 C +ATOM 141 CG LYS A 18 13.534 -21.303 4.491 1.00 88.12 C +ATOM 142 CD LYS A 18 12.500 -22.159 3.740 1.00 86.15 C +ATOM 143 CE LYS A 18 11.118 -21.683 4.192 1.00 82.10 C +ATOM 144 NZ LYS A 18 9.986 -22.383 3.522 1.00 77.10 N1+ +ATOM 145 N ILE A 19 15.220 -19.793 6.931 1.00 92.10 N +ATOM 146 CA ILE A 19 14.968 -19.730 8.376 1.00 92.14 C +ATOM 147 C ILE A 19 13.504 -20.045 8.658 1.00 92.21 C +ATOM 148 O ILE A 19 13.202 -20.946 9.439 1.00 91.47 O +ATOM 149 CB ILE A 19 15.373 -18.333 8.918 1.00 91.59 C +ATOM 150 CG1 ILE A 19 16.895 -18.108 8.686 1.00 89.68 C +ATOM 151 CG2 ILE A 19 15.035 -18.217 10.406 1.00 88.77 C +ATOM 152 CD1 ILE A 19 17.367 -16.705 9.081 1.00 84.80 C +ATOM 153 N ARG A 20 12.571 -19.331 8.031 1.00 90.16 N +ATOM 154 CA ARG A 20 11.135 -19.538 8.230 1.00 89.71 C +ATOM 155 C ARG A 20 10.325 -18.930 7.084 1.00 90.10 C +ATOM 156 O ARG A 20 10.819 -18.083 6.375 1.00 88.99 O +ATOM 157 CB ARG A 20 10.691 -18.910 9.564 1.00 88.51 C +ATOM 158 CG ARG A 20 10.854 -17.395 9.650 1.00 84.74 C +ATOM 159 CD ARG A 20 10.482 -16.867 11.044 1.00 81.92 C +ATOM 160 NE ARG A 20 10.475 -15.422 11.069 1.00 78.88 N +ATOM 161 CZ ARG A 20 10.526 -14.613 12.122 1.00 76.51 C +ATOM 162 NH1 ARG A 20 10.624 -15.090 13.322 1.00 72.40 N +ATOM 163 NH2 ARG A 20 10.485 -13.331 11.993 1.00 71.78 N1+ +ATOM 164 N ASP A 21 9.062 -19.299 7.005 1.00 90.47 N +ATOM 165 CA ASP A 21 8.114 -18.618 6.138 1.00 90.81 C +ATOM 166 C ASP A 21 7.648 -17.309 6.799 1.00 91.02 C +ATOM 167 O ASP A 21 7.460 -17.261 8.016 1.00 89.89 O +ATOM 168 CB ASP A 21 6.962 -19.551 5.819 1.00 89.78 C +ATOM 169 CG ASP A 21 7.446 -20.782 5.031 1.00 87.04 C +ATOM 170 OD1 ASP A 21 8.343 -20.651 4.191 1.00 82.43 O +ATOM 171 OD2 ASP A 21 6.902 -21.874 5.232 1.00 80.66 O +ATOM 172 N LEU A 22 7.474 -16.283 5.990 1.00 91.13 N +ATOM 173 CA LEU A 22 6.964 -14.989 6.414 1.00 91.19 C +ATOM 174 C LEU A 22 5.503 -14.789 6.017 1.00 90.94 C +ATOM 175 O LEU A 22 4.780 -14.069 6.696 1.00 90.02 O +ATOM 176 CB LEU A 22 7.833 -13.868 5.806 1.00 91.60 C +ATOM 177 CG LEU A 22 9.298 -13.855 6.272 1.00 92.29 C +ATOM 178 CD1 LEU A 22 10.056 -12.749 5.560 1.00 91.75 C +ATOM 179 CD2 LEU A 22 9.401 -13.601 7.773 1.00 91.29 C +ATOM 180 N GLY A 23 5.065 -15.409 4.948 1.00 85.83 N +ATOM 181 CA GLY A 23 3.687 -15.352 4.472 1.00 85.01 C +ATOM 182 C GLY A 23 3.572 -15.602 2.977 1.00 85.44 C +ATOM 183 O GLY A 23 4.516 -15.998 2.308 1.00 84.37 O +ATOM 184 N GLU A 24 2.395 -15.350 2.464 1.00 81.06 N +ATOM 185 CA GLU A 24 2.115 -15.413 1.036 1.00 81.05 C +ATOM 186 C GLU A 24 1.687 -14.037 0.534 1.00 81.08 C +ATOM 187 O GLU A 24 0.840 -13.377 1.133 1.00 77.66 O +ATOM 188 CB GLU A 24 1.060 -16.475 0.714 1.00 78.31 C +ATOM 189 CG GLU A 24 1.524 -17.889 1.065 1.00 73.32 C +ATOM 190 CD GLU A 24 0.677 -19.003 0.439 1.00 70.42 C +ATOM 191 OE1 GLU A 24 1.116 -20.176 0.513 1.00 59.73 O +ATOM 192 OE2 GLU A 24 -0.381 -18.709 -0.138 1.00 59.68 O +ATOM 193 N GLY A 25 2.278 -13.608 -0.553 1.00 80.20 N +ATOM 194 CA GLY A 25 1.886 -12.440 -1.324 1.00 80.24 C +ATOM 195 C GLY A 25 1.254 -12.847 -2.651 1.00 82.17 C +ATOM 196 O GLY A 25 1.006 -14.030 -2.912 1.00 79.06 O +ATOM 197 N HIS A 26 1.012 -11.866 -3.516 1.00 79.19 N +ATOM 198 CA HIS A 26 0.574 -12.182 -4.873 1.00 78.66 C +ATOM 199 C HIS A 26 1.626 -13.015 -5.613 1.00 79.44 C +ATOM 200 O HIS A 26 2.822 -12.773 -5.477 1.00 76.27 O +ATOM 201 CB HIS A 26 0.229 -10.906 -5.638 1.00 75.51 C +ATOM 202 CG HIS A 26 -1.156 -10.957 -6.187 1.00 75.09 C +ATOM 203 ND1 HIS A 26 -1.494 -11.501 -7.414 1.00 62.55 N1+ +ATOM 204 CD2 HIS A 26 -2.317 -10.545 -5.585 1.00 65.01 C +ATOM 205 CE1 HIS A 26 -2.835 -11.403 -7.556 1.00 63.79 C +ATOM 206 NE2 HIS A 26 -3.356 -10.833 -6.461 1.00 64.14 N +ATOM 207 N PHE A 27 1.205 -13.992 -6.359 1.00 78.26 N +ATOM 208 CA PHE A 27 2.008 -14.933 -7.170 1.00 79.08 C +ATOM 209 C PHE A 27 2.947 -15.886 -6.433 1.00 79.43 C +ATOM 210 O PHE A 27 3.454 -16.807 -7.076 1.00 72.89 O +ATOM 211 CB PHE A 27 2.784 -14.175 -8.258 1.00 74.23 C +ATOM 212 CG PHE A 27 1.934 -13.201 -9.042 1.00 76.30 C +ATOM 213 CD1 PHE A 27 0.826 -13.670 -9.772 1.00 70.08 C +ATOM 214 CD2 PHE A 27 2.239 -11.838 -9.059 1.00 71.79 C +ATOM 215 CE1 PHE A 27 0.029 -12.777 -10.494 1.00 66.54 C +ATOM 216 CE2 PHE A 27 1.445 -10.936 -9.777 1.00 69.51 C +ATOM 217 CZ PHE A 27 0.347 -11.405 -10.496 1.00 69.41 C +ATOM 218 N GLY A 28 3.187 -15.720 -5.141 1.00 81.48 N +ATOM 219 CA GLY A 28 4.177 -16.564 -4.492 1.00 81.97 C +ATOM 220 C GLY A 28 4.223 -16.485 -2.987 1.00 83.37 C +ATOM 221 O GLY A 28 3.398 -15.858 -2.332 1.00 81.18 O +ATOM 222 N LYS A 29 5.218 -17.154 -2.457 1.00 88.09 N +ATOM 223 CA LYS A 29 5.495 -17.257 -1.035 1.00 88.56 C +ATOM 224 C LYS A 29 6.727 -16.446 -0.673 1.00 89.27 C +ATOM 225 O LYS A 29 7.734 -16.523 -1.383 1.00 87.39 O +ATOM 226 CB LYS A 29 5.677 -18.742 -0.704 1.00 86.24 C +ATOM 227 CG LYS A 29 5.685 -18.999 0.801 1.00 78.63 C +ATOM 228 CD LYS A 29 5.822 -20.482 1.092 1.00 73.52 C +ATOM 229 CE LYS A 29 5.526 -20.735 2.563 1.00 67.67 C +ATOM 230 NZ LYS A 29 5.717 -22.114 2.981 1.00 62.12 N1+ +ATOM 231 N VAL A 30 6.676 -15.724 0.432 1.00 92.04 N +ATOM 232 CA VAL A 30 7.816 -14.989 0.978 1.00 92.23 C +ATOM 233 C VAL A 30 8.360 -15.726 2.183 1.00 92.30 C +ATOM 234 O VAL A 30 7.624 -16.126 3.078 1.00 91.74 O +ATOM 235 CB VAL A 30 7.447 -13.536 1.334 1.00 91.79 C +ATOM 236 CG1 VAL A 30 6.811 -12.802 0.150 1.00 90.95 C +ATOM 237 CG2 VAL A 30 8.691 -12.744 1.751 1.00 90.84 C +ATOM 238 N SER A 31 9.664 -15.922 2.201 1.00 93.53 N +ATOM 239 CA SER A 31 10.365 -16.578 3.289 1.00 93.51 C +ATOM 240 C SER A 31 11.575 -15.770 3.742 1.00 93.71 C +ATOM 241 O SER A 31 12.219 -15.106 2.927 1.00 92.97 O +ATOM 242 CB SER A 31 10.812 -17.977 2.867 1.00 92.83 C +ATOM 243 OG SER A 31 9.711 -18.768 2.440 1.00 90.13 O +ATOM 244 N LEU A 32 11.896 -15.820 5.005 1.00 93.60 N +ATOM 245 CA LEU A 32 13.132 -15.297 5.564 1.00 93.75 C +ATOM 246 C LEU A 32 14.278 -16.271 5.275 1.00 93.77 C +ATOM 247 O LEU A 32 14.165 -17.452 5.573 1.00 93.30 O +ATOM 248 CB LEU A 32 12.950 -15.060 7.069 1.00 93.62 C +ATOM 249 CG LEU A 32 14.191 -14.536 7.793 1.00 92.98 C +ATOM 250 CD1 LEU A 32 13.918 -14.435 9.295 1.00 92.35 C +ATOM 251 CD2 LEU A 32 14.635 -13.166 7.304 1.00 92.21 C +ATOM 252 N TYR A 33 15.349 -15.724 4.753 1.00 93.98 N +ATOM 253 CA TYR A 33 16.602 -16.443 4.555 1.00 93.94 C +ATOM 254 C TYR A 33 17.759 -15.663 5.180 1.00 94.01 C +ATOM 255 O TYR A 33 17.737 -14.443 5.255 1.00 93.54 O +ATOM 256 CB TYR A 33 16.852 -16.646 3.058 1.00 93.58 C +ATOM 257 CG TYR A 33 15.994 -17.717 2.405 1.00 93.23 C +ATOM 258 CD1 TYR A 33 16.576 -18.953 2.064 1.00 92.02 C +ATOM 259 CD2 TYR A 33 14.652 -17.481 2.093 1.00 91.82 C +ATOM 260 CE1 TYR A 33 15.805 -19.935 1.444 1.00 90.95 C +ATOM 261 CE2 TYR A 33 13.878 -18.476 1.481 1.00 90.92 C +ATOM 262 CZ TYR A 33 14.465 -19.694 1.148 1.00 91.15 C +ATOM 263 OH TYR A 33 13.710 -20.685 0.533 1.00 90.12 O +ATOM 264 N CYS A 34 18.790 -16.367 5.579 1.00 93.51 N +ATOM 265 CA CYS A 34 20.116 -15.817 5.754 1.00 93.53 C +ATOM 266 C CYS A 34 20.917 -16.026 4.463 1.00 93.63 C +ATOM 267 O CYS A 34 21.018 -17.174 3.989 1.00 92.65 O +ATOM 268 CB CYS A 34 20.781 -16.517 6.943 1.00 92.39 C +ATOM 269 SG CYS A 34 22.418 -15.827 7.277 1.00 88.33 S +ATOM 270 N TYR A 35 21.468 -14.970 3.913 1.00 92.28 N +ATOM 271 CA TYR A 35 22.402 -15.051 2.781 1.00 92.25 C +ATOM 272 C TYR A 35 23.828 -14.917 3.297 1.00 91.86 C +ATOM 273 O TYR A 35 24.239 -13.849 3.718 1.00 91.10 O +ATOM 274 CB TYR A 35 22.073 -13.991 1.749 1.00 92.43 C +ATOM 275 CG TYR A 35 22.907 -14.153 0.488 1.00 93.30 C +ATOM 276 CD1 TYR A 35 22.691 -15.254 -0.339 1.00 92.66 C +ATOM 277 CD2 TYR A 35 23.903 -13.227 0.155 1.00 92.74 C +ATOM 278 CE1 TYR A 35 23.442 -15.435 -1.509 1.00 92.29 C +ATOM 279 CE2 TYR A 35 24.665 -13.390 -1.022 1.00 92.35 C +ATOM 280 CZ TYR A 35 24.428 -14.493 -1.839 1.00 92.50 C +ATOM 281 OH TYR A 35 25.156 -14.679 -3.009 1.00 91.44 O +ATOM 282 N ASP A 36 24.554 -16.000 3.292 1.00 89.20 N +ATOM 283 CA ASP A 36 25.881 -16.102 3.891 1.00 89.39 C +ATOM 284 C ASP A 36 26.918 -16.611 2.867 1.00 89.12 C +ATOM 285 O ASP A 36 27.234 -17.804 2.829 1.00 87.91 O +ATOM 286 CB ASP A 36 25.764 -16.982 5.141 1.00 88.68 C +ATOM 287 CG ASP A 36 27.044 -17.019 5.951 1.00 89.45 C +ATOM 288 OD1 ASP A 36 27.967 -16.226 5.692 1.00 85.57 O +ATOM 289 OD2 ASP A 36 27.086 -17.852 6.900 1.00 84.84 O +ATOM 290 N PRO A 37 27.418 -15.749 1.985 1.00 87.99 N +ATOM 291 CA PRO A 37 28.371 -16.152 0.935 1.00 87.44 C +ATOM 292 C PRO A 37 29.758 -16.529 1.475 1.00 87.30 C +ATOM 293 O PRO A 37 30.477 -17.287 0.816 1.00 84.47 O +ATOM 294 CB PRO A 37 28.434 -14.966 -0.014 1.00 85.69 C +ATOM 295 CG PRO A 37 28.086 -13.765 0.859 1.00 84.46 C +ATOM 296 CD PRO A 37 27.100 -14.362 1.849 1.00 86.83 C +ATOM 297 N THR A 38 30.121 -16.030 2.645 1.00 85.95 N +ATOM 298 CA THR A 38 31.406 -16.363 3.287 1.00 85.36 C +ATOM 299 C THR A 38 31.333 -17.631 4.148 1.00 85.19 C +ATOM 300 O THR A 38 32.360 -18.230 4.432 1.00 82.37 O +ATOM 301 CB THR A 38 31.923 -15.200 4.139 1.00 83.12 C +ATOM 302 OG1 THR A 38 30.908 -14.739 4.986 1.00 78.12 O +ATOM 303 CG2 THR A 38 32.313 -14.007 3.254 1.00 78.57 C +ATOM 304 N ASN A 39 30.147 -18.050 4.479 1.00 82.18 N +ATOM 305 CA ASN A 39 29.854 -19.242 5.265 1.00 81.80 C +ATOM 306 C ASN A 39 30.455 -19.193 6.691 1.00 82.01 C +ATOM 307 O ASN A 39 30.801 -20.223 7.263 1.00 78.76 O +ATOM 308 CB ASN A 39 30.189 -20.498 4.466 1.00 78.99 C +ATOM 309 CG ASN A 39 29.069 -21.510 4.357 1.00 76.79 C +ATOM 310 OD1 ASN A 39 28.013 -21.447 4.964 1.00 68.64 O +ATOM 311 ND2 ASN A 39 29.305 -22.529 3.540 1.00 68.04 N +ATOM 312 N ASP A 40 30.565 -17.994 7.231 1.00 81.30 N +ATOM 313 CA ASP A 40 31.143 -17.697 8.535 1.00 80.69 C +ATOM 314 C ASP A 40 30.106 -17.326 9.607 1.00 81.13 C +ATOM 315 O ASP A 40 30.464 -17.044 10.759 1.00 77.39 O +ATOM 316 CB ASP A 40 32.200 -16.608 8.366 1.00 78.62 C +ATOM 317 CG ASP A 40 31.684 -15.250 7.912 1.00 78.70 C +ATOM 318 OD1 ASP A 40 30.423 -15.097 7.821 1.00 72.49 O +ATOM 319 OD2 ASP A 40 32.498 -14.350 7.665 1.00 73.26 O +ATOM 320 N GLY A 41 28.842 -17.369 9.270 1.00 79.81 N +ATOM 321 CA GLY A 41 27.731 -17.017 10.174 1.00 79.77 C +ATOM 322 C GLY A 41 27.413 -15.526 10.234 1.00 81.48 C +ATOM 323 O GLY A 41 26.508 -15.153 10.995 1.00 78.55 O +ATOM 324 N THR A 42 28.082 -14.698 9.469 1.00 83.66 N +ATOM 325 CA THR A 42 27.834 -13.236 9.392 1.00 83.65 C +ATOM 326 C THR A 42 26.845 -12.836 8.311 1.00 84.26 C +ATOM 327 O THR A 42 26.756 -11.675 7.919 1.00 80.78 O +ATOM 328 CB THR A 42 29.125 -12.445 9.250 1.00 81.46 C +ATOM 329 OG1 THR A 42 29.765 -12.682 8.014 1.00 77.07 O +ATOM 330 CG2 THR A 42 30.122 -12.752 10.370 1.00 76.87 C +ATOM 331 N GLY A 43 26.110 -13.790 7.781 1.00 87.25 N +ATOM 332 CA GLY A 43 25.206 -13.589 6.666 1.00 87.52 C +ATOM 333 C GLY A 43 24.107 -12.561 6.917 1.00 88.55 C +ATOM 334 O GLY A 43 23.645 -12.309 8.017 1.00 86.60 O +ATOM 335 N GLU A 44 23.657 -11.986 5.822 1.00 90.65 N +ATOM 336 CA GLU A 44 22.618 -10.975 5.834 1.00 91.17 C +ATOM 337 C GLU A 44 21.228 -11.613 5.838 1.00 92.09 C +ATOM 338 O GLU A 44 20.968 -12.547 5.069 1.00 90.37 O +ATOM 339 CB GLU A 44 22.813 -10.065 4.615 1.00 88.92 C +ATOM 340 CG GLU A 44 21.810 -8.920 4.585 1.00 77.92 C +ATOM 341 CD GLU A 44 21.910 -7.999 3.366 1.00 73.64 C +ATOM 342 OE1 GLU A 44 21.132 -7.014 3.338 1.00 63.50 O +ATOM 343 OE2 GLU A 44 22.700 -8.245 2.447 1.00 60.07 O +ATOM 344 N MET A 45 20.312 -11.088 6.623 1.00 94.00 N +ATOM 345 CA MET A 45 18.908 -11.482 6.550 1.00 94.21 C +ATOM 346 C MET A 45 18.228 -10.842 5.325 1.00 94.65 C +ATOM 347 O MET A 45 18.290 -9.648 5.119 1.00 93.86 O +ATOM 348 CB MET A 45 18.157 -11.079 7.816 1.00 93.25 C +ATOM 349 CG MET A 45 18.718 -11.811 9.055 1.00 89.58 C +ATOM 350 SD MET A 45 18.528 -13.602 8.964 1.00 88.40 S +ATOM 351 CE MET A 45 20.019 -14.093 9.871 1.00 81.30 C +ATOM 352 N VAL A 46 17.585 -11.660 4.536 1.00 95.12 N +ATOM 353 CA VAL A 46 16.849 -11.241 3.339 1.00 95.19 C +ATOM 354 C VAL A 46 15.475 -11.876 3.283 1.00 95.26 C +ATOM 355 O VAL A 46 15.252 -12.994 3.738 1.00 94.97 O +ATOM 356 CB VAL A 46 17.649 -11.538 2.054 1.00 95.06 C +ATOM 357 CG1 VAL A 46 18.967 -10.746 2.005 1.00 94.64 C +ATOM 358 CG2 VAL A 46 17.980 -13.018 1.861 1.00 94.58 C +ATOM 359 N ALA A 47 14.518 -11.176 2.694 1.00 95.03 N +ATOM 360 CA ALA A 47 13.228 -11.737 2.347 1.00 94.89 C +ATOM 361 C ALA A 47 13.270 -12.232 0.901 1.00 94.95 C +ATOM 362 O ALA A 47 13.589 -11.493 -0.016 1.00 94.76 O +ATOM 363 CB ALA A 47 12.140 -10.706 2.595 1.00 94.76 C +ATOM 364 N VAL A 48 12.910 -13.468 0.678 1.00 94.81 N +ATOM 365 CA VAL A 48 12.918 -14.087 -0.639 1.00 94.77 C +ATOM 366 C VAL A 48 11.497 -14.464 -1.026 1.00 94.57 C +ATOM 367 O VAL A 48 10.864 -15.270 -0.355 1.00 94.22 O +ATOM 368 CB VAL A 48 13.841 -15.312 -0.681 1.00 94.72 C +ATOM 369 CG1 VAL A 48 15.270 -14.950 -0.261 1.00 94.29 C +ATOM 370 CG2 VAL A 48 13.909 -15.894 -2.090 1.00 94.32 C +ATOM 371 N LYS A 49 11.019 -13.885 -2.107 1.00 92.60 N +ATOM 372 CA LYS A 49 9.727 -14.226 -2.705 1.00 92.39 C +ATOM 373 C LYS A 49 9.942 -15.180 -3.869 1.00 92.23 C +ATOM 374 O LYS A 49 10.707 -14.885 -4.798 1.00 91.70 O +ATOM 375 CB LYS A 49 8.968 -12.956 -3.094 1.00 91.94 C +ATOM 376 CG LYS A 49 7.497 -13.217 -3.488 1.00 90.90 C +ATOM 377 CD LYS A 49 6.759 -11.885 -3.719 1.00 89.63 C +ATOM 378 CE LYS A 49 5.282 -12.092 -4.039 1.00 87.61 C +ATOM 379 NZ LYS A 49 4.583 -10.803 -4.323 1.00 84.19 N1+ +ATOM 380 N ALA A 50 9.314 -16.313 -3.819 1.00 91.36 N +ATOM 381 CA ALA A 50 9.377 -17.355 -4.824 1.00 91.07 C +ATOM 382 C ALA A 50 8.012 -17.555 -5.487 1.00 90.89 C +ATOM 383 O ALA A 50 6.994 -17.671 -4.798 1.00 89.42 O +ATOM 384 CB ALA A 50 9.884 -18.639 -4.160 1.00 90.06 C +ATOM 385 N LEU A 51 7.982 -17.646 -6.786 1.00 83.06 N +ATOM 386 CA LEU A 51 6.799 -18.040 -7.539 1.00 83.06 C +ATOM 387 C LEU A 51 6.474 -19.521 -7.274 1.00 82.22 C +ATOM 388 O LEU A 51 7.381 -20.355 -7.219 1.00 80.49 O +ATOM 389 CB LEU A 51 7.055 -17.773 -9.030 1.00 81.74 C +ATOM 390 CG LEU A 51 5.821 -17.980 -9.935 1.00 79.41 C +ATOM 391 CD1 LEU A 51 6.232 -17.874 -11.394 1.00 78.33 C +ATOM 392 CD2 LEU A 51 4.751 -16.932 -9.662 1.00 77.57 C +ATOM 393 N LYS A 52 5.208 -19.836 -7.158 1.00 80.09 N +ATOM 394 CA LYS A 52 4.750 -21.228 -7.015 1.00 79.02 C +ATOM 395 C LYS A 52 5.161 -22.041 -8.234 1.00 78.74 C +ATOM 396 O LYS A 52 5.079 -21.564 -9.361 1.00 76.37 O +ATOM 397 CB LYS A 52 3.246 -21.265 -6.771 1.00 75.95 C +ATOM 398 CG LYS A 52 2.849 -20.592 -5.446 1.00 71.15 C +ATOM 399 CD LYS A 52 1.335 -20.679 -5.200 1.00 66.80 C +ATOM 400 CE LYS A 52 1.006 -19.990 -3.878 1.00 59.91 C +ATOM 401 NZ LYS A 52 -0.439 -20.074 -3.533 1.00 54.74 N1+ +ATOM 402 N ALA A 53 5.572 -23.256 -8.009 1.00 79.91 N +ATOM 403 CA ALA A 53 6.106 -24.108 -9.075 1.00 79.40 C +ATOM 404 C ALA A 53 5.082 -24.471 -10.168 1.00 79.37 C +ATOM 405 O ALA A 53 5.456 -24.613 -11.343 1.00 76.50 O +ATOM 406 CB ALA A 53 6.674 -25.376 -8.413 1.00 77.58 C +ATOM 407 N ASP A 54 3.848 -24.567 -9.808 1.00 78.67 N +ATOM 408 CA ASP A 54 2.705 -24.866 -10.675 1.00 78.77 C +ATOM 409 C ASP A 54 2.075 -23.623 -11.316 1.00 79.69 C +ATOM 410 O ASP A 54 1.055 -23.710 -11.996 1.00 76.48 O +ATOM 411 CB ASP A 54 1.672 -25.642 -9.854 1.00 76.40 C +ATOM 412 CG ASP A 54 1.109 -24.885 -8.648 1.00 75.59 C +ATOM 413 OD1 ASP A 54 1.812 -24.020 -8.115 1.00 67.19 O +ATOM 414 OD2 ASP A 54 -0.026 -25.220 -8.219 1.00 67.66 O +ATOM 415 N ALA A 55 2.679 -22.445 -11.140 1.00 79.11 N +ATOM 416 CA ALA A 55 2.175 -21.206 -11.702 1.00 80.12 C +ATOM 417 C ALA A 55 2.155 -21.248 -13.227 1.00 80.85 C +ATOM 418 O ALA A 55 3.152 -21.500 -13.890 1.00 76.93 O +ATOM 419 CB ALA A 55 3.013 -20.056 -11.179 1.00 76.92 C +ATOM 420 N GLY A 56 1.000 -20.909 -13.780 1.00 78.32 N +ATOM 421 CA GLY A 56 0.798 -20.841 -15.211 1.00 78.40 C +ATOM 422 C GLY A 56 1.544 -19.716 -15.903 1.00 79.83 C +ATOM 423 O GLY A 56 2.080 -18.826 -15.237 1.00 78.57 O +ATOM 424 N PRO A 57 1.542 -19.673 -17.217 1.00 82.31 N +ATOM 425 CA PRO A 57 2.271 -18.669 -17.996 1.00 82.22 C +ATOM 426 C PRO A 57 1.908 -17.230 -17.641 1.00 83.22 C +ATOM 427 O PRO A 57 2.773 -16.361 -17.607 1.00 82.18 O +ATOM 428 CB PRO A 57 1.944 -18.964 -19.453 1.00 80.10 C +ATOM 429 CG PRO A 57 1.631 -20.452 -19.443 1.00 80.12 C +ATOM 430 CD PRO A 57 0.956 -20.660 -18.102 1.00 82.84 C +ATOM 431 N GLN A 58 0.652 -16.992 -17.341 1.00 81.59 N +ATOM 432 CA GLN A 58 0.155 -15.665 -16.977 1.00 82.05 C +ATOM 433 C GLN A 58 0.745 -15.181 -15.670 1.00 82.44 C +ATOM 434 O GLN A 58 1.206 -14.049 -15.589 1.00 79.94 O +ATOM 435 CB GLN A 58 -1.365 -15.767 -16.916 1.00 79.51 C +ATOM 436 CG GLN A 58 -2.061 -14.443 -17.237 1.00 75.07 C +ATOM 437 CD GLN A 58 -3.570 -14.650 -17.275 1.00 70.72 C +ATOM 438 OE1 GLN A 58 -4.117 -15.575 -16.727 1.00 60.37 O +ATOM 439 NE2 GLN A 58 -4.280 -13.772 -17.925 1.00 58.72 N +ATOM 440 N HIS A 59 0.834 -16.045 -14.683 1.00 82.90 N +ATOM 441 CA HIS A 59 1.485 -15.745 -13.413 1.00 83.62 C +ATOM 442 C HIS A 59 2.986 -15.544 -13.572 1.00 84.33 C +ATOM 443 O HIS A 59 3.544 -14.653 -12.929 1.00 82.69 O +ATOM 444 CB HIS A 59 1.195 -16.852 -12.409 1.00 81.84 C +ATOM 445 CG HIS A 59 -0.231 -16.886 -11.960 1.00 81.78 C +ATOM 446 ND1 HIS A 59 -0.971 -15.807 -11.520 1.00 71.03 N1+ +ATOM 447 CD2 HIS A 59 -1.042 -17.976 -11.885 1.00 71.75 C +ATOM 448 CE1 HIS A 59 -2.194 -16.226 -11.188 1.00 70.91 C +ATOM 449 NE2 HIS A 59 -2.274 -17.561 -11.397 1.00 72.54 N +ATOM 450 N ARG A 60 3.622 -16.259 -14.439 1.00 81.72 N +ATOM 451 CA ARG A 60 5.056 -16.065 -14.755 1.00 82.30 C +ATOM 452 C ARG A 60 5.324 -14.722 -15.414 1.00 82.93 C +ATOM 453 O ARG A 60 6.327 -14.092 -15.101 1.00 83.11 O +ATOM 454 CB ARG A 60 5.553 -17.196 -15.665 1.00 81.64 C +ATOM 455 CG ARG A 60 5.562 -18.539 -14.932 1.00 78.87 C +ATOM 456 CD ARG A 60 6.045 -19.660 -15.858 1.00 79.76 C +ATOM 457 NE ARG A 60 6.032 -20.956 -15.157 1.00 75.63 N +ATOM 458 CZ ARG A 60 7.014 -21.437 -14.396 1.00 70.66 C +ATOM 459 NH1 ARG A 60 8.138 -20.789 -14.229 1.00 66.29 N +ATOM 460 NH2 ARG A 60 6.856 -22.550 -13.785 1.00 67.79 N1+ +ATOM 461 N SER A 61 4.448 -14.285 -16.270 1.00 82.15 N +ATOM 462 CA SER A 61 4.545 -12.951 -16.885 1.00 81.64 C +ATOM 463 C SER A 61 4.342 -11.856 -15.837 1.00 82.40 C +ATOM 464 O SER A 61 5.167 -10.959 -15.717 1.00 79.36 O +ATOM 465 CB SER A 61 3.524 -12.823 -18.011 1.00 78.78 C +ATOM 466 OG SER A 61 3.695 -11.589 -18.671 1.00 70.74 O +ATOM 467 N GLY A 62 3.334 -11.971 -15.024 1.00 83.89 N +ATOM 468 CA GLY A 62 3.092 -11.052 -13.903 1.00 84.20 C +ATOM 469 C GLY A 62 4.241 -11.010 -12.904 1.00 85.59 C +ATOM 470 O GLY A 62 4.622 -9.940 -12.447 1.00 83.56 O +ATOM 471 N TRP A 63 4.855 -12.146 -12.651 1.00 88.33 N +ATOM 472 CA TRP A 63 6.008 -12.258 -11.765 1.00 89.54 C +ATOM 473 C TRP A 63 7.234 -11.519 -12.300 1.00 90.63 C +ATOM 474 O TRP A 63 7.886 -10.786 -11.541 1.00 90.86 O +ATOM 475 CB TRP A 63 6.338 -13.746 -11.586 1.00 89.11 C +ATOM 476 CG TRP A 63 7.520 -14.020 -10.726 1.00 89.87 C +ATOM 477 CD1 TRP A 63 8.582 -14.782 -11.039 1.00 87.27 C +ATOM 478 CD2 TRP A 63 7.768 -13.513 -9.379 1.00 88.53 C +ATOM 479 NE1 TRP A 63 9.469 -14.798 -9.963 1.00 85.62 N +ATOM 480 CE2 TRP A 63 9.000 -14.022 -8.941 1.00 87.14 C +ATOM 481 CE3 TRP A 63 7.054 -12.671 -8.509 1.00 86.35 C +ATOM 482 CZ2 TRP A 63 9.518 -13.708 -7.655 1.00 83.83 C +ATOM 483 CZ3 TRP A 63 7.564 -12.356 -7.246 1.00 78.62 C +ATOM 484 CH2 TRP A 63 8.795 -12.877 -6.830 1.00 78.97 C +ATOM 485 N LYS A 64 7.536 -11.658 -13.580 1.00 88.10 N +ATOM 486 CA LYS A 64 8.616 -10.883 -14.205 1.00 88.22 C +ATOM 487 C LYS A 64 8.360 -9.384 -14.113 1.00 88.93 C +ATOM 488 O LYS A 64 9.264 -8.647 -13.762 1.00 87.11 O +ATOM 489 CB LYS A 64 8.808 -11.283 -15.677 1.00 85.85 C +ATOM 490 CG LYS A 64 9.626 -12.583 -15.804 1.00 76.42 C +ATOM 491 CD LYS A 64 9.909 -12.850 -17.293 1.00 71.82 C +ATOM 492 CE LYS A 64 10.821 -14.055 -17.462 1.00 63.57 C +ATOM 493 NZ LYS A 64 11.168 -14.292 -18.877 1.00 55.81 N1+ +ATOM 494 N GLN A 65 7.136 -8.965 -14.350 1.00 89.66 N +ATOM 495 CA GLN A 65 6.772 -7.556 -14.210 1.00 90.17 C +ATOM 496 C GLN A 65 6.949 -7.041 -12.798 1.00 91.15 C +ATOM 497 O GLN A 65 7.458 -5.946 -12.620 1.00 90.65 O +ATOM 498 CB GLN A 65 5.330 -7.335 -14.671 1.00 88.55 C +ATOM 499 CG GLN A 65 5.164 -7.488 -16.174 1.00 81.06 C +ATOM 500 CD GLN A 65 3.716 -7.266 -16.652 1.00 78.60 C +ATOM 501 OE1 GLN A 65 2.770 -7.276 -15.893 1.00 68.41 O +ATOM 502 NE2 GLN A 65 3.532 -7.068 -17.925 1.00 67.71 N +ATOM 503 N GLU A 66 6.590 -7.813 -11.789 1.00 90.74 N +ATOM 504 CA GLU A 66 6.811 -7.434 -10.385 1.00 91.27 C +ATOM 505 C GLU A 66 8.299 -7.213 -10.088 1.00 91.74 C +ATOM 506 O GLU A 66 8.661 -6.206 -9.492 1.00 90.14 O +ATOM 507 CB GLU A 66 6.213 -8.494 -9.453 1.00 89.36 C +ATOM 508 CG GLU A 66 6.421 -8.156 -7.974 1.00 82.83 C +ATOM 509 CD GLU A 66 5.769 -9.125 -6.967 1.00 82.41 C +ATOM 510 OE1 GLU A 66 5.919 -8.918 -5.772 1.00 67.99 O +ATOM 511 OE2 GLU A 66 5.110 -10.102 -7.382 1.00 65.70 O +ATOM 512 N ILE A 67 9.138 -8.112 -10.552 1.00 94.01 N +ATOM 513 CA ILE A 67 10.593 -7.992 -10.392 1.00 94.27 C +ATOM 514 C ILE A 67 11.120 -6.761 -11.122 1.00 94.25 C +ATOM 515 O ILE A 67 11.893 -6.000 -10.541 1.00 93.94 O +ATOM 516 CB ILE A 67 11.300 -9.276 -10.879 1.00 94.21 C +ATOM 517 CG1 ILE A 67 10.938 -10.458 -9.962 1.00 93.55 C +ATOM 518 CG2 ILE A 67 12.828 -9.083 -10.904 1.00 93.51 C +ATOM 519 CD1 ILE A 67 11.412 -11.824 -10.493 1.00 91.40 C +ATOM 520 N ASP A 68 10.700 -6.557 -12.352 1.00 93.98 N +ATOM 521 CA ASP A 68 11.161 -5.437 -13.164 1.00 93.87 C +ATOM 522 C ASP A 68 10.743 -4.094 -12.573 1.00 94.13 C +ATOM 523 O ASP A 68 11.571 -3.191 -12.495 1.00 93.21 O +ATOM 524 CB ASP A 68 10.655 -5.594 -14.612 1.00 93.09 C +ATOM 525 CG ASP A 68 11.340 -6.716 -15.383 1.00 90.25 C +ATOM 526 OD1 ASP A 68 12.480 -7.098 -15.026 1.00 85.42 O +ATOM 527 OD2 ASP A 68 10.742 -7.173 -16.392 1.00 83.28 O +ATOM 528 N ILE A 69 9.526 -3.993 -12.084 1.00 94.58 N +ATOM 529 CA ILE A 69 9.049 -2.796 -11.382 1.00 94.66 C +ATOM 530 C ILE A 69 9.911 -2.552 -10.151 1.00 94.76 C +ATOM 531 O ILE A 69 10.569 -1.518 -10.065 1.00 94.49 O +ATOM 532 CB ILE A 69 7.547 -2.896 -11.051 1.00 94.70 C +ATOM 533 CG1 ILE A 69 6.720 -2.794 -12.348 1.00 94.17 C +ATOM 534 CG2 ILE A 69 7.116 -1.787 -10.068 1.00 94.28 C +ATOM 535 CD1 ILE A 69 5.244 -3.186 -12.175 1.00 92.16 C +ATOM 536 N LEU A 70 9.983 -3.509 -9.235 1.00 95.70 N +ATOM 537 CA LEU A 70 10.683 -3.312 -7.967 1.00 95.66 C +ATOM 538 C LEU A 70 12.168 -2.987 -8.169 1.00 95.67 C +ATOM 539 O LEU A 70 12.727 -2.185 -7.424 1.00 95.15 O +ATOM 540 CB LEU A 70 10.485 -4.548 -7.078 1.00 95.35 C +ATOM 541 CG LEU A 70 10.983 -4.347 -5.636 1.00 94.26 C +ATOM 542 CD1 LEU A 70 10.846 -5.642 -4.838 1.00 93.06 C +ATOM 543 CD2 LEU A 70 10.187 -3.271 -4.899 1.00 92.44 C +ATOM 544 N ARG A 71 12.791 -3.529 -9.199 1.00 95.26 N +ATOM 545 CA ARG A 71 14.175 -3.229 -9.577 1.00 95.12 C +ATOM 546 C ARG A 71 14.404 -1.747 -9.892 1.00 95.36 C +ATOM 547 O ARG A 71 15.498 -1.259 -9.668 1.00 94.47 O +ATOM 548 CB ARG A 71 14.542 -4.127 -10.760 1.00 93.94 C +ATOM 549 CG ARG A 71 15.993 -3.937 -11.210 1.00 87.37 C +ATOM 550 CD ARG A 71 16.340 -4.828 -12.414 1.00 83.81 C +ATOM 551 NE ARG A 71 16.538 -6.225 -11.987 1.00 78.80 N +ATOM 552 CZ ARG A 71 16.792 -7.259 -12.763 1.00 75.51 C +ATOM 553 NH1 ARG A 71 16.857 -7.136 -14.046 1.00 69.32 N +ATOM 554 NH2 ARG A 71 16.988 -8.437 -12.255 1.00 68.44 N1+ +ATOM 555 N THR A 72 13.392 -1.063 -10.393 1.00 94.33 N +ATOM 556 CA THR A 72 13.500 0.351 -10.780 1.00 93.98 C +ATOM 557 C THR A 72 13.238 1.320 -9.628 1.00 94.20 C +ATOM 558 O THR A 72 13.510 2.510 -9.767 1.00 92.93 O +ATOM 559 CB THR A 72 12.576 0.701 -11.955 1.00 92.48 C +ATOM 560 OG1 THR A 72 11.217 0.660 -11.624 1.00 85.07 O +ATOM 561 CG2 THR A 72 12.805 -0.189 -13.171 1.00 83.56 C +ATOM 562 N LEU A 73 12.724 0.855 -8.511 1.00 95.34 N +ATOM 563 CA LEU A 73 12.254 1.694 -7.426 1.00 95.34 C +ATOM 564 C LEU A 73 13.330 1.889 -6.346 1.00 95.34 C +ATOM 565 O LEU A 73 13.857 0.930 -5.791 1.00 94.94 O +ATOM 566 CB LEU A 73 10.977 1.097 -6.821 1.00 95.38 C +ATOM 567 CG LEU A 73 9.791 0.971 -7.797 1.00 95.17 C +ATOM 568 CD1 LEU A 73 8.605 0.347 -7.080 1.00 94.80 C +ATOM 569 CD2 LEU A 73 9.368 2.304 -8.386 1.00 94.52 C +ATOM 570 N TYR A 74 13.577 3.149 -6.002 1.00 95.77 N +ATOM 571 CA TYR A 74 14.521 3.539 -4.952 1.00 95.34 C +ATOM 572 C TYR A 74 13.926 4.666 -4.116 1.00 95.55 C +ATOM 573 O TYR A 74 14.034 5.837 -4.448 1.00 94.39 O +ATOM 574 CB TYR A 74 15.857 3.984 -5.581 1.00 93.93 C +ATOM 575 CG TYR A 74 16.624 2.869 -6.268 1.00 87.32 C +ATOM 576 CD1 TYR A 74 17.480 2.050 -5.514 1.00 81.48 C +ATOM 577 CD2 TYR A 74 16.449 2.642 -7.636 1.00 78.20 C +ATOM 578 CE1 TYR A 74 18.175 1.001 -6.149 1.00 72.57 C +ATOM 579 CE2 TYR A 74 17.124 1.589 -8.271 1.00 69.68 C +ATOM 580 CZ TYR A 74 17.987 0.777 -7.527 1.00 68.12 C +ATOM 581 OH TYR A 74 18.660 -0.250 -8.162 1.00 66.26 O +ATOM 582 N HIS A 75 13.308 4.296 -3.025 1.00 96.38 N +ATOM 583 CA HIS A 75 12.736 5.244 -2.092 1.00 96.32 C +ATOM 584 C HIS A 75 12.753 4.663 -0.671 1.00 96.39 C +ATOM 585 O HIS A 75 12.583 3.460 -0.490 1.00 96.08 O +ATOM 586 CB HIS A 75 11.321 5.593 -2.538 1.00 96.18 C +ATOM 587 CG HIS A 75 10.742 6.757 -1.797 1.00 96.01 C +ATOM 588 ND1 HIS A 75 9.956 6.696 -0.670 1.00 94.87 N1+ +ATOM 589 CD2 HIS A 75 10.925 8.076 -2.097 1.00 94.71 C +ATOM 590 CE1 HIS A 75 9.693 7.959 -0.291 1.00 94.36 C +ATOM 591 NE2 HIS A 75 10.265 8.822 -1.137 1.00 94.66 N +ATOM 592 N GLU A 76 12.939 5.504 0.340 1.00 96.48 N +ATOM 593 CA GLU A 76 13.060 5.054 1.734 1.00 96.28 C +ATOM 594 C GLU A 76 11.784 4.398 2.276 1.00 96.56 C +ATOM 595 O GLU A 76 11.869 3.548 3.163 1.00 96.12 O +ATOM 596 CB GLU A 76 13.519 6.221 2.616 1.00 95.39 C +ATOM 597 CG GLU A 76 12.503 7.369 2.694 1.00 89.79 C +ATOM 598 CD GLU A 76 13.008 8.544 3.529 1.00 85.52 C +ATOM 599 OE1 GLU A 76 12.705 9.691 3.153 1.00 71.58 O +ATOM 600 OE2 GLU A 76 13.678 8.282 4.549 1.00 68.17 O +ATOM 601 N HIS A 77 10.639 4.716 1.702 1.00 96.71 N +ATOM 602 CA HIS A 77 9.340 4.146 2.063 1.00 96.81 C +ATOM 603 C HIS A 77 8.849 3.059 1.097 1.00 96.96 C +ATOM 604 O HIS A 77 7.674 2.711 1.095 1.00 96.78 O +ATOM 605 CB HIS A 77 8.320 5.269 2.241 1.00 96.68 C +ATOM 606 CG HIS A 77 8.740 6.264 3.288 1.00 96.53 C +ATOM 607 ND1 HIS A 77 9.213 5.953 4.551 1.00 95.77 N1+ +ATOM 608 CD2 HIS A 77 8.786 7.613 3.144 1.00 95.51 C +ATOM 609 CE1 HIS A 77 9.542 7.104 5.151 1.00 95.01 C +ATOM 610 NE2 HIS A 77 9.297 8.135 4.327 1.00 95.23 N +ATOM 611 N ILE A 78 9.726 2.508 0.285 1.00 96.84 N +ATOM 612 CA ILE A 78 9.460 1.330 -0.545 1.00 96.79 C +ATOM 613 C ILE A 78 10.459 0.234 -0.181 1.00 96.81 C +ATOM 614 O ILE A 78 11.640 0.500 0.023 1.00 96.52 O +ATOM 615 CB ILE A 78 9.490 1.703 -2.041 1.00 96.61 C +ATOM 616 CG1 ILE A 78 8.298 2.640 -2.347 1.00 95.89 C +ATOM 617 CG2 ILE A 78 9.441 0.459 -2.939 1.00 95.64 C +ATOM 618 CD1 ILE A 78 8.234 3.133 -3.792 1.00 93.66 C +ATOM 619 N ILE A 79 9.984 -0.999 -0.122 1.00 96.45 N +ATOM 620 CA ILE A 79 10.869 -2.143 0.143 1.00 96.37 C +ATOM 621 C ILE A 79 11.989 -2.200 -0.886 1.00 96.53 C +ATOM 622 O ILE A 79 11.759 -2.082 -2.089 1.00 96.10 O +ATOM 623 CB ILE A 79 10.054 -3.444 0.227 1.00 95.78 C +ATOM 624 CG1 ILE A 79 10.928 -4.560 0.811 1.00 91.71 C +ATOM 625 CG2 ILE A 79 9.446 -3.853 -1.133 1.00 90.59 C +ATOM 626 CD1 ILE A 79 10.145 -5.816 1.183 1.00 84.84 C +ATOM 627 N LYS A 80 13.190 -2.384 -0.422 1.00 95.91 N +ATOM 628 CA LYS A 80 14.378 -2.355 -1.274 1.00 95.71 C +ATOM 629 C LYS A 80 14.557 -3.668 -2.026 1.00 96.03 C +ATOM 630 O LYS A 80 14.674 -4.727 -1.420 1.00 95.60 O +ATOM 631 CB LYS A 80 15.604 -1.990 -0.426 1.00 94.77 C +ATOM 632 CG LYS A 80 16.855 -1.793 -1.275 1.00 88.63 C +ATOM 633 CD LYS A 80 18.024 -1.355 -0.391 1.00 83.92 C +ATOM 634 CE LYS A 80 19.278 -1.166 -1.250 1.00 76.53 C +ATOM 635 NZ LYS A 80 20.408 -0.670 -0.441 1.00 69.29 N1+ +ATOM 636 N TYR A 81 14.650 -3.578 -3.347 1.00 95.53 N +ATOM 637 CA TYR A 81 15.160 -4.656 -4.183 1.00 95.61 C +ATOM 638 C TYR A 81 16.638 -4.889 -3.871 1.00 95.57 C +ATOM 639 O TYR A 81 17.411 -3.946 -3.793 1.00 95.17 O +ATOM 640 CB TYR A 81 14.977 -4.272 -5.641 1.00 95.57 C +ATOM 641 CG TYR A 81 15.579 -5.264 -6.612 1.00 95.61 C +ATOM 642 CD1 TYR A 81 14.874 -6.431 -6.960 1.00 95.18 C +ATOM 643 CD2 TYR A 81 16.844 -5.031 -7.165 1.00 95.22 C +ATOM 644 CE1 TYR A 81 15.416 -7.337 -7.875 1.00 94.71 C +ATOM 645 CE2 TYR A 81 17.402 -5.934 -8.084 1.00 94.70 C +ATOM 646 CZ TYR A 81 16.680 -7.085 -8.436 1.00 94.83 C +ATOM 647 OH TYR A 81 17.219 -7.963 -9.352 1.00 94.06 O +ATOM 648 N LYS A 82 17.015 -6.135 -3.703 1.00 95.57 N +ATOM 649 CA LYS A 82 18.412 -6.533 -3.528 1.00 95.22 C +ATOM 650 C LYS A 82 18.966 -7.312 -4.714 1.00 95.32 C +ATOM 651 O LYS A 82 20.126 -7.164 -5.049 1.00 94.36 O +ATOM 652 CB LYS A 82 18.564 -7.338 -2.242 1.00 94.23 C +ATOM 653 CG LYS A 82 18.392 -6.444 -1.029 1.00 89.67 C +ATOM 654 CD LYS A 82 18.949 -7.122 0.203 1.00 86.76 C +ATOM 655 CE LYS A 82 19.107 -6.090 1.301 1.00 82.13 C +ATOM 656 NZ LYS A 82 20.314 -6.360 2.105 1.00 76.95 N1+ +ATOM 657 N GLY A 83 18.137 -8.104 -5.349 1.00 95.06 N +ATOM 658 CA GLY A 83 18.541 -8.902 -6.482 1.00 94.90 C +ATOM 659 C GLY A 83 17.623 -10.056 -6.773 1.00 95.12 C +ATOM 660 O GLY A 83 16.485 -10.129 -6.292 1.00 94.63 O +ATOM 661 N CYS A 84 18.110 -10.987 -7.562 1.00 93.12 N +ATOM 662 CA CYS A 84 17.430 -12.234 -7.877 1.00 93.04 C +ATOM 663 C CYS A 84 18.317 -13.443 -7.580 1.00 92.99 C +ATOM 664 O CYS A 84 19.534 -13.368 -7.645 1.00 91.80 O +ATOM 665 CB CYS A 84 16.985 -12.206 -9.335 1.00 92.25 C +ATOM 666 SG CYS A 84 15.619 -11.042 -9.561 1.00 89.73 S +ATOM 667 N CYS A 85 17.676 -14.538 -7.320 1.00 91.72 N +ATOM 668 CA CYS A 85 18.300 -15.843 -7.235 1.00 91.49 C +ATOM 669 C CYS A 85 17.681 -16.771 -8.277 1.00 91.27 C +ATOM 670 O CYS A 85 16.469 -16.801 -8.439 1.00 89.59 O +ATOM 671 CB CYS A 85 18.125 -16.392 -5.823 1.00 90.08 C +ATOM 672 SG CYS A 85 18.900 -18.022 -5.661 1.00 86.11 S +ATOM 673 N GLU A 86 18.478 -17.521 -8.988 1.00 88.45 N +ATOM 674 CA GLU A 86 17.967 -18.555 -9.874 1.00 87.15 C +ATOM 675 C GLU A 86 17.264 -19.651 -9.095 1.00 87.25 C +ATOM 676 O GLU A 86 17.829 -20.211 -8.148 1.00 84.19 O +ATOM 677 CB GLU A 86 19.112 -19.167 -10.722 1.00 84.23 C +ATOM 678 CG GLU A 86 19.667 -18.224 -11.770 1.00 77.86 C +ATOM 679 CD GLU A 86 20.653 -18.893 -12.713 1.00 76.55 C +ATOM 680 OE1 GLU A 86 20.987 -18.245 -13.725 1.00 65.49 O +ATOM 681 OE2 GLU A 86 21.071 -20.048 -12.445 1.00 64.67 O +ATOM 682 N ASP A 87 16.090 -19.973 -9.539 1.00 85.51 N +ATOM 683 CA ASP A 87 15.296 -21.053 -8.973 1.00 85.15 C +ATOM 684 C ASP A 87 15.012 -22.103 -10.059 1.00 85.19 C +ATOM 685 O ASP A 87 13.982 -22.073 -10.719 1.00 82.27 O +ATOM 686 CB ASP A 87 14.033 -20.538 -8.317 1.00 82.91 C +ATOM 687 CG ASP A 87 13.281 -21.634 -7.560 1.00 82.95 C +ATOM 688 OD1 ASP A 87 13.699 -22.804 -7.611 1.00 77.61 O +ATOM 689 OD2 ASP A 87 12.285 -21.286 -6.901 1.00 77.87 O +ATOM 690 N ALA A 88 15.940 -23.022 -10.213 1.00 85.86 N +ATOM 691 CA ALA A 88 15.817 -24.112 -11.181 1.00 85.33 C +ATOM 692 C ALA A 88 14.613 -25.030 -10.884 1.00 85.49 C +ATOM 693 O ALA A 88 14.014 -25.569 -11.806 1.00 81.81 O +ATOM 694 CB ALA A 88 17.122 -24.905 -11.163 1.00 83.25 C +ATOM 695 N GLY A 89 14.254 -25.146 -9.624 1.00 83.56 N +ATOM 696 CA GLY A 89 13.109 -25.965 -9.219 1.00 82.95 C +ATOM 697 C GLY A 89 11.774 -25.437 -9.725 1.00 83.93 C +ATOM 698 O GLY A 89 10.913 -26.229 -10.115 1.00 80.87 O +ATOM 699 N ALA A 90 11.629 -24.139 -9.771 1.00 82.30 N +ATOM 700 CA ALA A 90 10.420 -23.505 -10.303 1.00 82.34 C +ATOM 701 C ALA A 90 10.572 -23.016 -11.745 1.00 83.36 C +ATOM 702 O ALA A 90 9.636 -22.418 -12.289 1.00 79.30 O +ATOM 703 CB ALA A 90 10.034 -22.363 -9.349 1.00 79.15 C +ATOM 704 N ALA A 91 11.694 -23.230 -12.369 1.00 82.89 N +ATOM 705 CA ALA A 91 12.041 -22.686 -13.689 1.00 83.29 C +ATOM 706 C ALA A 91 11.794 -21.158 -13.765 1.00 84.97 C +ATOM 707 O ALA A 91 11.269 -20.646 -14.761 1.00 82.60 O +ATOM 708 CB ALA A 91 11.354 -23.493 -14.778 1.00 80.46 C +ATOM 709 N SER A 92 12.149 -20.441 -12.725 1.00 85.64 N +ATOM 710 CA SER A 92 11.928 -19.009 -12.585 1.00 86.11 C +ATOM 711 C SER A 92 12.980 -18.368 -11.692 1.00 87.34 C +ATOM 712 O SER A 92 13.870 -19.062 -11.165 1.00 86.06 O +ATOM 713 CB SER A 92 10.516 -18.763 -12.013 1.00 83.43 C +ATOM 714 OG SER A 92 10.395 -19.200 -10.678 1.00 76.39 O +ATOM 715 N LEU A 93 12.932 -17.063 -11.532 1.00 89.61 N +ATOM 716 CA LEU A 93 13.759 -16.346 -10.575 1.00 90.47 C +ATOM 717 C LEU A 93 13.024 -16.187 -9.247 1.00 91.06 C +ATOM 718 O LEU A 93 11.809 -15.957 -9.208 1.00 89.90 O +ATOM 719 CB LEU A 93 14.155 -14.976 -11.160 1.00 88.88 C +ATOM 720 CG LEU A 93 14.995 -15.058 -12.435 1.00 83.67 C +ATOM 721 CD1 LEU A 93 15.277 -13.643 -12.952 1.00 80.18 C +ATOM 722 CD2 LEU A 93 16.343 -15.739 -12.191 1.00 78.98 C +ATOM 723 N GLN A 94 13.763 -16.231 -8.176 1.00 92.88 N +ATOM 724 CA GLN A 94 13.323 -15.767 -6.863 1.00 92.96 C +ATOM 725 C GLN A 94 13.709 -14.297 -6.687 1.00 93.35 C +ATOM 726 O GLN A 94 14.835 -13.915 -6.995 1.00 92.76 O +ATOM 727 CB GLN A 94 13.959 -16.632 -5.766 1.00 92.42 C +ATOM 728 CG GLN A 94 13.536 -18.099 -5.878 1.00 90.58 C +ATOM 729 CD GLN A 94 14.130 -18.960 -4.757 1.00 89.59 C +ATOM 730 OE1 GLN A 94 15.317 -19.031 -4.572 1.00 83.90 O +ATOM 731 NE2 GLN A 94 13.311 -19.594 -3.982 1.00 81.39 N +ATOM 732 N LEU A 95 12.795 -13.503 -6.188 1.00 94.27 N +ATOM 733 CA LEU A 95 13.052 -12.105 -5.888 1.00 94.45 C +ATOM 734 C LEU A 95 13.633 -11.989 -4.478 1.00 94.57 C +ATOM 735 O LEU A 95 13.000 -12.427 -3.517 1.00 94.27 O +ATOM 736 CB LEU A 95 11.717 -11.351 -6.027 1.00 94.25 C +ATOM 737 CG LEU A 95 11.712 -9.906 -5.506 1.00 93.40 C +ATOM 738 CD1 LEU A 95 10.317 -9.312 -5.687 1.00 92.39 C +ATOM 739 CD2 LEU A 95 12.698 -9.024 -6.263 1.00 92.10 C +ATOM 740 N VAL A 96 14.776 -11.376 -4.350 1.00 95.84 N +ATOM 741 CA VAL A 96 15.435 -11.096 -3.074 1.00 95.89 C +ATOM 742 C VAL A 96 15.247 -9.623 -2.720 1.00 95.89 C +ATOM 743 O VAL A 96 15.604 -8.732 -3.488 1.00 95.56 O +ATOM 744 CB VAL A 96 16.910 -11.483 -3.106 1.00 95.79 C +ATOM 745 CG1 VAL A 96 17.110 -12.914 -3.585 1.00 95.28 C +ATOM 746 CG2 VAL A 96 17.529 -11.361 -1.709 1.00 95.19 C +ATOM 747 N MET A 97 14.702 -9.371 -1.561 1.00 95.92 N +ATOM 748 CA MET A 97 14.406 -8.059 -1.023 1.00 95.80 C +ATOM 749 C MET A 97 15.046 -7.887 0.353 1.00 95.92 C +ATOM 750 O MET A 97 15.417 -8.880 1.003 1.00 95.49 O +ATOM 751 CB MET A 97 12.885 -7.885 -0.894 1.00 95.16 C +ATOM 752 CG MET A 97 12.131 -8.153 -2.194 1.00 91.82 C +ATOM 753 SD MET A 97 10.322 -8.196 -2.028 1.00 89.68 S +ATOM 754 CE MET A 97 10.101 -9.734 -1.131 1.00 79.45 C +ATOM 755 N GLU A 98 15.144 -6.656 0.834 1.00 95.52 N +ATOM 756 CA GLU A 98 15.495 -6.433 2.232 1.00 95.25 C +ATOM 757 C GLU A 98 14.474 -7.113 3.146 1.00 95.35 C +ATOM 758 O GLU A 98 13.284 -7.170 2.859 1.00 94.70 O +ATOM 759 CB GLU A 98 15.628 -4.934 2.536 1.00 94.53 C +ATOM 760 CG GLU A 98 14.298 -4.177 2.569 1.00 91.80 C +ATOM 761 CD GLU A 98 14.453 -2.678 2.840 1.00 90.59 C +ATOM 762 OE1 GLU A 98 13.763 -1.879 2.195 1.00 77.95 O +ATOM 763 OE2 GLU A 98 15.282 -2.285 3.693 1.00 75.86 O +ATOM 764 N TYR A 99 14.948 -7.616 4.247 1.00 95.59 N +ATOM 765 CA TYR A 99 14.097 -8.117 5.317 1.00 95.68 C +ATOM 766 C TYR A 99 13.697 -6.968 6.233 1.00 95.67 C +ATOM 767 O TYR A 99 14.542 -6.300 6.800 1.00 95.29 O +ATOM 768 CB TYR A 99 14.839 -9.211 6.082 1.00 95.60 C +ATOM 769 CG TYR A 99 14.117 -9.653 7.331 1.00 95.73 C +ATOM 770 CD1 TYR A 99 12.837 -10.223 7.252 1.00 95.34 C +ATOM 771 CD2 TYR A 99 14.717 -9.479 8.598 1.00 95.12 C +ATOM 772 CE1 TYR A 99 12.151 -10.618 8.410 1.00 94.60 C +ATOM 773 CE2 TYR A 99 14.036 -9.872 9.761 1.00 94.67 C +ATOM 774 CZ TYR A 99 12.773 -10.454 9.673 1.00 94.73 C +ATOM 775 OH TYR A 99 12.100 -10.845 10.806 1.00 94.15 O +ATOM 776 N VAL A 100 12.413 -6.751 6.372 1.00 95.77 N +ATOM 777 CA VAL A 100 11.851 -5.724 7.253 1.00 95.67 C +ATOM 778 C VAL A 100 11.388 -6.388 8.551 1.00 95.72 C +ATOM 779 O VAL A 100 10.465 -7.196 8.532 1.00 95.43 O +ATOM 780 CB VAL A 100 10.744 -4.942 6.551 1.00 95.41 C +ATOM 781 CG1 VAL A 100 11.207 -4.389 5.203 1.00 94.68 C +ATOM 782 CG2 VAL A 100 10.314 -3.749 7.402 1.00 94.59 C +ATOM 783 N PRO A 101 12.023 -6.091 9.694 1.00 95.66 N +ATOM 784 CA PRO A 101 11.980 -6.994 10.846 1.00 95.43 C +ATOM 785 C PRO A 101 10.679 -7.005 11.641 1.00 95.52 C +ATOM 786 O PRO A 101 10.365 -8.030 12.255 1.00 94.91 O +ATOM 787 CB PRO A 101 13.154 -6.562 11.729 1.00 94.80 C +ATOM 788 CG PRO A 101 13.403 -5.110 11.355 1.00 93.48 C +ATOM 789 CD PRO A 101 13.062 -5.088 9.879 1.00 94.36 C +ATOM 790 N LEU A 102 9.909 -5.924 11.631 1.00 96.06 N +ATOM 791 CA LEU A 102 8.690 -5.828 12.443 1.00 96.03 C +ATOM 792 C LEU A 102 7.426 -6.336 11.733 1.00 96.09 C +ATOM 793 O LEU A 102 6.372 -6.413 12.354 1.00 95.59 O +ATOM 794 CB LEU A 102 8.532 -4.400 12.972 1.00 95.79 C +ATOM 795 CG LEU A 102 9.706 -3.877 13.829 1.00 95.24 C +ATOM 796 CD1 LEU A 102 9.377 -2.483 14.369 1.00 94.66 C +ATOM 797 CD2 LEU A 102 10.001 -4.776 15.031 1.00 94.33 C +ATOM 798 N GLY A 103 7.520 -6.744 10.479 1.00 95.59 N +ATOM 799 CA GLY A 103 6.413 -7.303 9.707 1.00 95.42 C +ATOM 800 C GLY A 103 5.402 -6.254 9.247 1.00 95.68 C +ATOM 801 O GLY A 103 5.679 -5.070 9.230 1.00 95.26 O +ATOM 802 N SER A 104 4.232 -6.698 8.831 1.00 95.49 N +ATOM 803 CA SER A 104 3.187 -5.812 8.311 1.00 95.42 C +ATOM 804 C SER A 104 2.511 -5.002 9.407 1.00 95.66 C +ATOM 805 O SER A 104 2.321 -5.485 10.528 1.00 95.32 O +ATOM 806 CB SER A 104 2.156 -6.611 7.513 1.00 94.84 C +ATOM 807 OG SER A 104 1.354 -7.406 8.364 1.00 92.68 O +ATOM 808 N LEU A 105 2.055 -3.817 9.065 1.00 96.00 N +ATOM 809 CA LEU A 105 1.249 -3.005 9.978 1.00 95.95 C +ATOM 810 C LEU A 105 -0.011 -3.739 10.438 1.00 95.99 C +ATOM 811 O LEU A 105 -0.375 -3.638 11.604 1.00 95.75 O +ATOM 812 CB LEU A 105 0.867 -1.678 9.315 1.00 95.79 C +ATOM 813 CG LEU A 105 2.015 -0.673 9.172 1.00 95.20 C +ATOM 814 CD1 LEU A 105 1.495 0.600 8.500 1.00 94.71 C +ATOM 815 CD2 LEU A 105 2.598 -0.263 10.538 1.00 94.32 C +ATOM 816 N ARG A 106 -0.616 -4.537 9.583 1.00 96.05 N +ATOM 817 CA ARG A 106 -1.792 -5.357 9.926 1.00 95.87 C +ATOM 818 C ARG A 106 -1.523 -6.312 11.075 1.00 95.96 C +ATOM 819 O ARG A 106 -2.406 -6.512 11.904 1.00 95.54 O +ATOM 820 CB ARG A 106 -2.255 -6.145 8.693 1.00 95.31 C +ATOM 821 CG ARG A 106 -3.580 -6.882 8.964 1.00 91.92 C +ATOM 822 CD ARG A 106 -3.951 -7.826 7.830 1.00 89.27 C +ATOM 823 NE ARG A 106 -2.999 -8.936 7.737 1.00 83.29 N +ATOM 824 CZ ARG A 106 -2.964 -9.855 6.793 1.00 82.08 C +ATOM 825 NH1 ARG A 106 -3.838 -9.894 5.835 1.00 77.92 N +ATOM 826 NH2 ARG A 106 -2.028 -10.772 6.806 1.00 78.63 N1+ +ATOM 827 N ASP A 107 -0.342 -6.885 11.124 1.00 95.21 N +ATOM 828 CA ASP A 107 0.018 -7.864 12.150 1.00 95.08 C +ATOM 829 C ASP A 107 0.653 -7.202 13.379 1.00 95.24 C +ATOM 830 O ASP A 107 0.601 -7.754 14.480 1.00 94.76 O +ATOM 831 CB ASP A 107 0.947 -8.928 11.546 1.00 94.50 C +ATOM 832 CG ASP A 107 0.309 -9.704 10.392 1.00 92.47 C +ATOM 833 OD1 ASP A 107 -0.925 -9.918 10.402 1.00 88.00 O +ATOM 834 OD2 ASP A 107 1.057 -10.067 9.460 1.00 85.08 O +ATOM 835 N TYR A 108 1.243 -6.044 13.197 1.00 96.05 N +ATOM 836 CA TYR A 108 1.916 -5.293 14.254 1.00 96.00 C +ATOM 837 C TYR A 108 0.945 -4.491 15.126 1.00 96.04 C +ATOM 838 O TYR A 108 0.994 -4.593 16.347 1.00 95.74 O +ATOM 839 CB TYR A 108 2.956 -4.383 13.612 1.00 95.85 C +ATOM 840 CG TYR A 108 3.841 -3.671 14.620 1.00 95.62 C +ATOM 841 CD1 TYR A 108 5.030 -4.281 15.050 1.00 95.14 C +ATOM 842 CD2 TYR A 108 3.463 -2.416 15.150 1.00 94.93 C +ATOM 843 CE1 TYR A 108 5.845 -3.650 16.011 1.00 94.31 C +ATOM 844 CE2 TYR A 108 4.266 -1.783 16.110 1.00 94.38 C +ATOM 845 CZ TYR A 108 5.459 -2.391 16.534 1.00 94.27 C +ATOM 846 OH TYR A 108 6.244 -1.780 17.469 1.00 93.72 O +ATOM 847 N LEU A 109 0.070 -3.710 14.518 1.00 95.57 N +ATOM 848 CA LEU A 109 -0.761 -2.741 15.222 1.00 95.51 C +ATOM 849 C LEU A 109 -1.715 -3.360 16.257 1.00 95.44 C +ATOM 850 O LEU A 109 -1.828 -2.788 17.335 1.00 95.11 O +ATOM 851 CB LEU A 109 -1.544 -1.875 14.229 1.00 95.42 C +ATOM 852 CG LEU A 109 -0.696 -0.906 13.394 1.00 95.07 C +ATOM 853 CD1 LEU A 109 -1.581 -0.146 12.423 1.00 94.66 C +ATOM 854 CD2 LEU A 109 0.028 0.109 14.268 1.00 94.34 C +ATOM 855 N PRO A 110 -2.321 -4.524 16.044 1.00 94.88 N +ATOM 856 CA PRO A 110 -3.168 -5.158 17.058 1.00 94.68 C +ATOM 857 C PRO A 110 -2.420 -5.583 18.324 1.00 94.68 C +ATOM 858 O PRO A 110 -3.033 -5.858 19.354 1.00 94.05 O +ATOM 859 CB PRO A 110 -3.783 -6.372 16.375 1.00 94.21 C +ATOM 860 CG PRO A 110 -3.752 -6.031 14.904 1.00 93.47 C +ATOM 861 CD PRO A 110 -2.442 -5.253 14.786 1.00 94.20 C +ATOM 862 N ARG A 111 -1.106 -5.660 18.275 1.00 94.28 N +ATOM 863 CA ARG A 111 -0.235 -6.140 19.360 1.00 93.88 C +ATOM 864 C ARG A 111 0.536 -5.029 20.067 1.00 93.94 C +ATOM 865 O ARG A 111 1.206 -5.324 21.045 1.00 92.45 O +ATOM 866 CB ARG A 111 0.720 -7.198 18.801 1.00 92.43 C +ATOM 867 CG ARG A 111 0.003 -8.366 18.113 1.00 83.56 C +ATOM 868 CD ARG A 111 1.030 -9.356 17.559 1.00 79.52 C +ATOM 869 NE ARG A 111 0.366 -10.378 16.726 1.00 73.03 N +ATOM 870 CZ ARG A 111 0.983 -11.334 16.059 1.00 67.90 C +ATOM 871 NH1 ARG A 111 2.268 -11.483 16.100 1.00 59.44 N +ATOM 872 NH2 ARG A 111 0.290 -12.148 15.315 1.00 57.02 N1+ +ATOM 873 N HIS A 112 0.482 -3.811 19.544 1.00 93.84 N +ATOM 874 CA HIS A 112 1.282 -2.696 20.051 1.00 93.88 C +ATOM 875 C HIS A 112 0.422 -1.446 20.189 1.00 93.96 C +ATOM 876 O HIS A 112 -0.266 -1.041 19.259 1.00 93.01 O +ATOM 877 CB HIS A 112 2.451 -2.448 19.090 1.00 93.47 C +ATOM 878 CG HIS A 112 3.395 -3.614 18.972 1.00 92.83 C +ATOM 879 ND1 HIS A 112 3.215 -4.711 18.136 1.00 89.19 N1+ +ATOM 880 CD2 HIS A 112 4.550 -3.834 19.662 1.00 88.46 C +ATOM 881 CE1 HIS A 112 4.243 -5.548 18.301 1.00 88.34 C +ATOM 882 NE2 HIS A 112 5.071 -5.054 19.230 1.00 89.30 N +ATOM 883 N SER A 113 0.499 -0.807 21.333 1.00 92.72 N +ATOM 884 CA SER A 113 -0.246 0.425 21.597 1.00 92.57 C +ATOM 885 C SER A 113 0.447 1.618 20.945 1.00 93.13 C +ATOM 886 O SER A 113 1.213 2.342 21.597 1.00 91.36 O +ATOM 887 CB SER A 113 -0.397 0.641 23.100 1.00 90.05 C +ATOM 888 OG SER A 113 -1.117 -0.413 23.697 1.00 78.08 O +ATOM 889 N ILE A 114 0.192 1.826 19.665 1.00 94.03 N +ATOM 890 CA ILE A 114 0.731 2.962 18.928 1.00 94.11 C +ATOM 891 C ILE A 114 -0.195 4.165 19.048 1.00 94.42 C +ATOM 892 O ILE A 114 -1.397 4.067 18.833 1.00 93.38 O +ATOM 893 CB ILE A 114 0.969 2.558 17.451 1.00 92.76 C +ATOM 894 CG1 ILE A 114 1.864 1.300 17.307 1.00 85.58 C +ATOM 895 CG2 ILE A 114 1.581 3.707 16.659 1.00 81.65 C +ATOM 896 CD1 ILE A 114 3.227 1.405 17.996 1.00 74.61 C +ATOM 897 N GLY A 115 0.369 5.294 19.399 1.00 95.22 N +ATOM 898 CA GLY A 115 -0.369 6.540 19.532 1.00 95.14 C +ATOM 899 C GLY A 115 -0.744 7.173 18.203 1.00 95.54 C +ATOM 900 O GLY A 115 -0.125 6.898 17.175 1.00 95.14 O +ATOM 901 N LEU A 116 -1.705 8.077 18.238 1.00 95.46 N +ATOM 902 CA LEU A 116 -2.232 8.763 17.051 1.00 95.55 C +ATOM 903 C LEU A 116 -1.135 9.458 16.240 1.00 95.79 C +ATOM 904 O LEU A 116 -1.094 9.315 15.019 1.00 95.70 O +ATOM 905 CB LEU A 116 -3.310 9.745 17.500 1.00 95.35 C +ATOM 906 CG LEU A 116 -3.905 10.606 16.368 1.00 94.74 C +ATOM 907 CD1 LEU A 116 -4.936 11.556 16.971 1.00 94.11 C +ATOM 908 CD2 LEU A 116 -4.601 9.767 15.291 1.00 93.56 C +ATOM 909 N ALA A 117 -0.245 10.186 16.902 1.00 95.87 N +ATOM 910 CA ALA A 117 0.851 10.862 16.208 1.00 95.89 C +ATOM 911 C ALA A 117 1.714 9.895 15.390 1.00 96.11 C +ATOM 912 O ALA A 117 2.064 10.179 14.247 1.00 95.80 O +ATOM 913 CB ALA A 117 1.688 11.605 17.247 1.00 95.36 C +ATOM 914 N GLN A 118 1.994 8.727 15.935 1.00 96.29 N +ATOM 915 CA GLN A 118 2.790 7.708 15.250 1.00 96.18 C +ATOM 916 C GLN A 118 2.045 7.106 14.043 1.00 96.35 C +ATOM 917 O GLN A 118 2.654 6.896 13.005 1.00 96.09 O +ATOM 918 CB GLN A 118 3.166 6.621 16.263 1.00 95.65 C +ATOM 919 CG GLN A 118 4.306 5.733 15.766 1.00 92.58 C +ATOM 920 CD GLN A 118 5.639 6.466 15.612 1.00 91.08 C +ATOM 921 OE1 GLN A 118 5.866 7.502 16.205 1.00 81.22 O +ATOM 922 NE2 GLN A 118 6.529 5.954 14.832 1.00 78.38 N +ATOM 923 N LEU A 119 0.759 6.877 14.169 1.00 96.41 N +ATOM 924 CA LEU A 119 -0.064 6.409 13.049 1.00 96.50 C +ATOM 925 C LEU A 119 -0.126 7.441 11.915 1.00 96.60 C +ATOM 926 O LEU A 119 -0.054 7.072 10.740 1.00 96.42 O +ATOM 927 CB LEU A 119 -1.493 6.118 13.551 1.00 96.43 C +ATOM 928 CG LEU A 119 -1.603 4.994 14.581 1.00 96.05 C +ATOM 929 CD1 LEU A 119 -3.049 4.903 15.079 1.00 95.60 C +ATOM 930 CD2 LEU A 119 -1.200 3.631 14.006 1.00 95.46 C +ATOM 931 N LEU A 120 -0.198 8.707 12.254 1.00 96.36 N +ATOM 932 CA LEU A 120 -0.177 9.797 11.283 1.00 96.41 C +ATOM 933 C LEU A 120 1.188 9.943 10.604 1.00 96.43 C +ATOM 934 O LEU A 120 1.229 10.223 9.406 1.00 96.21 O +ATOM 935 CB LEU A 120 -0.590 11.100 11.966 1.00 96.35 C +ATOM 936 CG LEU A 120 -2.053 11.127 12.443 1.00 96.04 C +ATOM 937 CD1 LEU A 120 -2.274 12.368 13.318 1.00 95.71 C +ATOM 938 CD2 LEU A 120 -3.054 11.163 11.275 1.00 95.49 C +ATOM 939 N LEU A 121 2.258 9.679 11.320 1.00 96.53 N +ATOM 940 CA LEU A 121 3.596 9.590 10.727 1.00 96.52 C +ATOM 941 C LEU A 121 3.661 8.462 9.702 1.00 96.57 C +ATOM 942 O LEU A 121 4.136 8.669 8.591 1.00 96.37 O +ATOM 943 CB LEU A 121 4.642 9.399 11.833 1.00 96.38 C +ATOM 944 CG LEU A 121 6.084 9.219 11.317 1.00 95.89 C +ATOM 945 CD1 LEU A 121 7.020 8.919 12.488 1.00 95.26 C +ATOM 946 CD2 LEU A 121 6.586 10.475 10.599 1.00 94.65 C +ATOM 947 N PHE A 122 3.142 7.292 10.021 1.00 96.78 N +ATOM 948 CA PHE A 122 3.073 6.182 9.065 1.00 96.82 C +ATOM 949 C PHE A 122 2.225 6.525 7.842 1.00 96.88 C +ATOM 950 O PHE A 122 2.648 6.262 6.718 1.00 96.72 O +ATOM 951 CB PHE A 122 2.533 4.918 9.743 1.00 96.75 C +ATOM 952 CG PHE A 122 3.337 4.386 10.916 1.00 96.73 C +ATOM 953 CD1 PHE A 122 4.709 4.641 11.052 1.00 96.33 C +ATOM 954 CD2 PHE A 122 2.704 3.561 11.863 1.00 96.17 C +ATOM 955 CE1 PHE A 122 5.436 4.094 12.125 1.00 95.68 C +ATOM 956 CE2 PHE A 122 3.421 3.000 12.931 1.00 95.74 C +ATOM 957 CZ PHE A 122 4.783 3.264 13.061 1.00 95.70 C +ATOM 958 N ALA A 123 1.093 7.162 8.056 1.00 96.81 N +ATOM 959 CA ALA A 123 0.240 7.612 6.967 1.00 96.81 C +ATOM 960 C ALA A 123 0.956 8.598 6.028 1.00 96.87 C +ATOM 961 O ALA A 123 0.889 8.455 4.808 1.00 96.70 O +ATOM 962 CB ALA A 123 -1.032 8.216 7.559 1.00 96.66 C +ATOM 963 N GLN A 124 1.683 9.555 6.593 1.00 96.82 N +ATOM 964 CA GLN A 124 2.516 10.473 5.824 1.00 96.80 C +ATOM 965 C GLN A 124 3.559 9.740 4.990 1.00 96.85 C +ATOM 966 O GLN A 124 3.672 9.965 3.794 1.00 96.52 O +ATOM 967 CB GLN A 124 3.179 11.469 6.789 1.00 96.42 C +ATOM 968 CG GLN A 124 4.051 12.496 6.071 1.00 94.92 C +ATOM 969 CD GLN A 124 5.006 13.237 7.006 1.00 93.70 C +ATOM 970 OE1 GLN A 124 4.726 13.490 8.172 1.00 86.64 O +ATOM 971 NE2 GLN A 124 6.161 13.585 6.525 1.00 85.91 N +ATOM 972 N GLN A 125 4.281 8.823 5.591 1.00 96.84 N +ATOM 973 CA GLN A 125 5.323 8.049 4.918 1.00 96.84 C +ATOM 974 C GLN A 125 4.771 7.159 3.800 1.00 96.85 C +ATOM 975 O GLN A 125 5.379 7.031 2.742 1.00 96.63 O +ATOM 976 CB GLN A 125 6.049 7.181 5.950 1.00 96.78 C +ATOM 977 CG GLN A 125 6.913 8.004 6.910 1.00 96.55 C +ATOM 978 CD GLN A 125 7.635 7.137 7.955 1.00 96.35 C +ATOM 979 OE1 GLN A 125 7.550 5.926 7.959 1.00 94.66 O +ATOM 980 NE2 GLN A 125 8.368 7.740 8.848 1.00 93.89 N +ATOM 981 N ILE A 126 3.604 6.578 4.005 1.00 96.83 N +ATOM 982 CA ILE A 126 2.905 5.844 2.944 1.00 96.87 C +ATOM 983 C ILE A 126 2.624 6.780 1.765 1.00 96.85 C +ATOM 984 O ILE A 126 2.918 6.432 0.626 1.00 96.74 O +ATOM 985 CB ILE A 126 1.608 5.189 3.472 1.00 96.94 C +ATOM 986 CG1 ILE A 126 1.934 4.073 4.486 1.00 96.92 C +ATOM 987 CG2 ILE A 126 0.785 4.595 2.317 1.00 96.92 C +ATOM 988 CD1 ILE A 126 0.728 3.654 5.348 1.00 96.65 C +ATOM 989 N CYS A 127 2.144 7.979 2.025 1.00 96.90 N +ATOM 990 CA CYS A 127 1.901 8.964 0.975 1.00 96.84 C +ATOM 991 C CYS A 127 3.183 9.392 0.251 1.00 96.79 C +ATOM 992 O CYS A 127 3.149 9.545 -0.965 1.00 96.53 O +ATOM 993 CB CYS A 127 1.199 10.194 1.558 1.00 96.73 C +ATOM 994 SG CYS A 127 -0.501 9.773 1.991 1.00 96.51 S +ATOM 995 N GLU A 128 4.284 9.526 0.951 1.00 97.01 N +ATOM 996 CA GLU A 128 5.590 9.845 0.350 1.00 96.90 C +ATOM 997 C GLU A 128 6.057 8.732 -0.597 1.00 97.02 C +ATOM 998 O GLU A 128 6.397 8.996 -1.748 1.00 96.68 O +ATOM 999 CB GLU A 128 6.622 10.103 1.465 1.00 96.57 C +ATOM 1000 CG GLU A 128 6.367 11.456 2.162 1.00 94.88 C +ATOM 1001 CD GLU A 128 7.189 11.725 3.439 1.00 93.90 C +ATOM 1002 OE1 GLU A 128 7.016 12.820 4.009 1.00 83.73 O +ATOM 1003 OE2 GLU A 128 7.954 10.844 3.880 1.00 81.80 O +ATOM 1004 N GLY A 129 5.973 7.489 -0.159 1.00 96.91 N +ATOM 1005 CA GLY A 129 6.295 6.345 -0.999 1.00 96.87 C +ATOM 1006 C GLY A 129 5.371 6.206 -2.209 1.00 96.99 C +ATOM 1007 O GLY A 129 5.831 5.918 -3.318 1.00 96.80 O +ATOM 1008 N MET A 130 4.092 6.452 -2.028 1.00 96.63 N +ATOM 1009 CA MET A 130 3.106 6.389 -3.113 1.00 96.68 C +ATOM 1010 C MET A 130 3.226 7.543 -4.110 1.00 96.65 C +ATOM 1011 O MET A 130 3.068 7.318 -5.309 1.00 96.46 O +ATOM 1012 CB MET A 130 1.703 6.344 -2.517 1.00 96.65 C +ATOM 1013 CG MET A 130 1.401 4.996 -1.849 1.00 96.48 C +ATOM 1014 SD MET A 130 1.519 3.509 -2.874 1.00 96.26 S +ATOM 1015 CE MET A 130 0.324 3.881 -4.154 1.00 95.31 C +ATOM 1016 N ALA A 131 3.539 8.750 -3.638 1.00 96.77 N +ATOM 1017 CA ALA A 131 3.818 9.881 -4.510 1.00 96.68 C +ATOM 1018 C ALA A 131 5.027 9.603 -5.408 1.00 96.66 C +ATOM 1019 O ALA A 131 4.967 9.817 -6.616 1.00 96.44 O +ATOM 1020 CB ALA A 131 4.045 11.135 -3.659 1.00 96.57 C +ATOM 1021 N TYR A 132 6.082 9.028 -4.843 1.00 96.69 N +ATOM 1022 CA TYR A 132 7.225 8.569 -5.621 1.00 96.56 C +ATOM 1023 C TYR A 132 6.828 7.502 -6.648 1.00 96.62 C +ATOM 1024 O TYR A 132 7.171 7.639 -7.818 1.00 96.38 O +ATOM 1025 CB TYR A 132 8.310 8.051 -4.677 1.00 96.43 C +ATOM 1026 CG TYR A 132 9.411 7.302 -5.401 1.00 96.25 C +ATOM 1027 CD1 TYR A 132 10.454 8.010 -6.014 1.00 95.82 C +ATOM 1028 CD2 TYR A 132 9.368 5.896 -5.492 1.00 95.64 C +ATOM 1029 CE1 TYR A 132 11.462 7.320 -6.719 1.00 95.04 C +ATOM 1030 CE2 TYR A 132 10.366 5.198 -6.186 1.00 95.24 C +ATOM 1031 CZ TYR A 132 11.416 5.913 -6.790 1.00 95.16 C +ATOM 1032 OH TYR A 132 12.396 5.239 -7.480 1.00 94.27 O +ATOM 1033 N LEU A 133 6.056 6.502 -6.248 1.00 96.51 N +ATOM 1034 CA LEU A 133 5.614 5.444 -7.150 1.00 96.47 C +ATOM 1035 C LEU A 133 4.830 5.997 -8.342 1.00 96.52 C +ATOM 1036 O LEU A 133 5.097 5.622 -9.489 1.00 96.17 O +ATOM 1037 CB LEU A 133 4.769 4.450 -6.342 1.00 96.18 C +ATOM 1038 CG LEU A 133 4.356 3.206 -7.149 1.00 95.06 C +ATOM 1039 CD1 LEU A 133 3.319 2.397 -6.372 1.00 94.27 C +ATOM 1040 CD2 LEU A 133 5.551 2.303 -7.437 1.00 93.44 C +ATOM 1041 N HIS A 134 3.920 6.906 -8.095 1.00 96.30 N +ATOM 1042 CA HIS A 134 3.155 7.571 -9.140 1.00 96.22 C +ATOM 1043 C HIS A 134 4.032 8.449 -10.033 1.00 96.10 C +ATOM 1044 O HIS A 134 3.842 8.442 -11.246 1.00 95.81 O +ATOM 1045 CB HIS A 134 2.043 8.405 -8.489 1.00 96.16 C +ATOM 1046 CG HIS A 134 0.902 7.589 -7.947 1.00 96.20 C +ATOM 1047 ND1 HIS A 134 -0.289 8.117 -7.470 1.00 95.45 N1+ +ATOM 1048 CD2 HIS A 134 0.789 6.218 -7.886 1.00 95.19 C +ATOM 1049 CE1 HIS A 134 -1.102 7.112 -7.136 1.00 94.86 C +ATOM 1050 NE2 HIS A 134 -0.482 5.944 -7.380 1.00 95.07 N +ATOM 1051 N ALA A 135 5.027 9.135 -9.477 1.00 96.44 N +ATOM 1052 CA ALA A 135 6.002 9.892 -10.269 1.00 96.25 C +ATOM 1053 C ALA A 135 6.855 8.993 -11.186 1.00 96.32 C +ATOM 1054 O ALA A 135 7.307 9.440 -12.244 1.00 95.90 O +ATOM 1055 CB ALA A 135 6.876 10.702 -9.311 1.00 95.85 C +ATOM 1056 N GLN A 136 7.002 7.723 -10.832 1.00 96.24 N +ATOM 1057 CA GLN A 136 7.612 6.694 -11.691 1.00 96.18 C +ATOM 1058 C GLN A 136 6.609 6.047 -12.664 1.00 96.33 C +ATOM 1059 O GLN A 136 6.954 5.054 -13.324 1.00 95.86 O +ATOM 1060 CB GLN A 136 8.307 5.634 -10.824 1.00 95.72 C +ATOM 1061 CG GLN A 136 9.420 6.197 -9.912 1.00 93.99 C +ATOM 1062 CD GLN A 136 10.479 7.006 -10.674 1.00 92.18 C +ATOM 1063 OE1 GLN A 136 11.137 6.515 -11.560 1.00 85.76 O +ATOM 1064 NE2 GLN A 136 10.638 8.267 -10.323 1.00 84.15 N +ATOM 1065 N HIS A 137 5.418 6.565 -12.774 1.00 96.09 N +ATOM 1066 CA HIS A 137 4.340 6.067 -13.642 1.00 96.03 C +ATOM 1067 C HIS A 137 3.833 4.648 -13.329 1.00 96.31 C +ATOM 1068 O HIS A 137 3.373 3.937 -14.213 1.00 95.89 O +ATOM 1069 CB HIS A 137 4.702 6.264 -15.115 1.00 95.42 C +ATOM 1070 CG HIS A 137 5.082 7.671 -15.455 1.00 94.21 C +ATOM 1071 ND1 HIS A 137 4.249 8.767 -15.395 1.00 90.97 N1+ +ATOM 1072 CD2 HIS A 137 6.316 8.123 -15.838 1.00 87.81 C +ATOM 1073 CE1 HIS A 137 4.949 9.850 -15.739 1.00 86.90 C +ATOM 1074 NE2 HIS A 137 6.225 9.490 -16.016 1.00 89.32 N +ATOM 1075 N TYR A 138 3.846 4.274 -12.095 1.00 96.14 N +ATOM 1076 CA TYR A 138 3.250 3.020 -11.642 1.00 96.19 C +ATOM 1077 C TYR A 138 2.002 3.257 -10.783 1.00 96.30 C +ATOM 1078 O TYR A 138 1.923 4.200 -10.016 1.00 96.02 O +ATOM 1079 CB TYR A 138 4.272 2.188 -10.866 1.00 96.07 C +ATOM 1080 CG TYR A 138 5.485 1.782 -11.696 1.00 95.87 C +ATOM 1081 CD1 TYR A 138 5.364 0.827 -12.722 1.00 95.35 C +ATOM 1082 CD2 TYR A 138 6.733 2.375 -11.440 1.00 95.17 C +ATOM 1083 CE1 TYR A 138 6.475 0.467 -13.490 1.00 94.60 C +ATOM 1084 CE2 TYR A 138 7.858 2.027 -12.213 1.00 94.65 C +ATOM 1085 CZ TYR A 138 7.730 1.076 -13.236 1.00 94.63 C +ATOM 1086 OH TYR A 138 8.816 0.729 -14.007 1.00 94.08 O +ATOM 1087 N ILE A 139 1.075 2.332 -10.873 1.00 96.07 N +ATOM 1088 CA ILE A 139 -0.062 2.200 -9.955 1.00 96.04 C +ATOM 1089 C ILE A 139 0.154 0.937 -9.129 1.00 96.18 C +ATOM 1090 O ILE A 139 0.454 -0.118 -9.696 1.00 95.79 O +ATOM 1091 CB ILE A 139 -1.405 2.146 -10.730 1.00 95.45 C +ATOM 1092 CG1 ILE A 139 -1.591 3.380 -11.618 1.00 92.62 C +ATOM 1093 CG2 ILE A 139 -2.568 2.026 -9.740 1.00 91.55 C +ATOM 1094 CD1 ILE A 139 -2.845 3.296 -12.518 1.00 86.21 C +ATOM 1095 N HIS A 140 -0.011 1.021 -7.821 1.00 96.24 N +ATOM 1096 CA HIS A 140 0.224 -0.108 -6.917 1.00 96.21 C +ATOM 1097 C HIS A 140 -0.890 -1.156 -6.991 1.00 96.18 C +ATOM 1098 O HIS A 140 -0.614 -2.352 -7.030 1.00 95.76 O +ATOM 1099 CB HIS A 140 0.408 0.427 -5.491 1.00 96.13 C +ATOM 1100 CG HIS A 140 0.840 -0.634 -4.526 1.00 96.10 C +ATOM 1101 ND1 HIS A 140 0.027 -1.546 -3.868 1.00 95.07 N1+ +ATOM 1102 CD2 HIS A 140 2.127 -0.911 -4.149 1.00 94.70 C +ATOM 1103 CE1 HIS A 140 0.812 -2.344 -3.118 1.00 94.36 C +ATOM 1104 NE2 HIS A 140 2.088 -1.978 -3.274 1.00 94.73 N +ATOM 1105 N ARG A 141 -2.130 -0.717 -6.982 1.00 96.12 N +ATOM 1106 CA ARG A 141 -3.363 -1.530 -7.070 1.00 95.98 C +ATOM 1107 C ARG A 141 -3.629 -2.471 -5.879 1.00 96.03 C +ATOM 1108 O ARG A 141 -4.616 -3.199 -5.900 1.00 95.51 O +ATOM 1109 CB ARG A 141 -3.416 -2.305 -8.395 1.00 95.45 C +ATOM 1110 CG ARG A 141 -3.400 -1.406 -9.629 1.00 94.00 C +ATOM 1111 CD ARG A 141 -3.291 -2.246 -10.926 1.00 92.65 C +ATOM 1112 NE ARG A 141 -4.360 -3.242 -11.002 1.00 90.08 N +ATOM 1113 CZ ARG A 141 -4.246 -4.538 -11.255 1.00 88.51 C +ATOM 1114 NH1 ARG A 141 -3.120 -5.104 -11.535 1.00 85.92 N +ATOM 1115 NH2 ARG A 141 -5.292 -5.286 -11.234 1.00 86.49 N1+ +ATOM 1116 N ASN A 142 -2.796 -2.474 -4.878 1.00 96.01 N +ATOM 1117 CA ASN A 142 -2.956 -3.331 -3.705 1.00 95.81 C +ATOM 1118 C ASN A 142 -2.478 -2.661 -2.400 1.00 95.97 C +ATOM 1119 O ASN A 142 -1.995 -3.335 -1.481 1.00 95.57 O +ATOM 1120 CB ASN A 142 -2.255 -4.664 -3.983 1.00 95.26 C +ATOM 1121 CG ASN A 142 -2.634 -5.778 -3.023 1.00 93.26 C +ATOM 1122 OD1 ASN A 142 -3.632 -5.750 -2.327 1.00 87.98 O +ATOM 1123 ND2 ASN A 142 -1.846 -6.824 -3.004 1.00 84.04 N +ATOM 1124 N LEU A 143 -2.599 -1.354 -2.314 1.00 96.29 N +ATOM 1125 CA LEU A 143 -2.246 -0.629 -1.102 1.00 96.28 C +ATOM 1126 C LEU A 143 -3.226 -0.989 0.025 1.00 96.23 C +ATOM 1127 O LEU A 143 -4.431 -0.811 -0.103 1.00 95.88 O +ATOM 1128 CB LEU A 143 -2.207 0.874 -1.392 1.00 96.28 C +ATOM 1129 CG LEU A 143 -1.761 1.716 -0.179 1.00 96.06 C +ATOM 1130 CD1 LEU A 143 -1.809 3.198 -0.551 1.00 95.77 C +ATOM 1131 CD2 LEU A 143 -0.341 1.380 0.279 1.00 95.62 C +ATOM 1132 N ALA A 144 -2.701 -1.518 1.102 1.00 95.81 N +ATOM 1133 CA ALA A 144 -3.412 -1.949 2.291 1.00 95.68 C +ATOM 1134 C ALA A 144 -2.418 -2.121 3.445 1.00 95.78 C +ATOM 1135 O ALA A 144 -1.236 -2.366 3.195 1.00 95.48 O +ATOM 1136 CB ALA A 144 -4.103 -3.284 1.987 1.00 95.40 C +ATOM 1137 N ALA A 145 -2.873 -2.105 4.691 1.00 95.91 N +ATOM 1138 CA ALA A 145 -1.994 -2.240 5.862 1.00 95.91 C +ATOM 1139 C ALA A 145 -1.187 -3.551 5.878 1.00 95.99 C +ATOM 1140 O ALA A 145 -0.059 -3.578 6.365 1.00 95.71 O +ATOM 1141 CB ALA A 145 -2.851 -2.118 7.118 1.00 95.71 C +ATOM 1142 N ARG A 146 -1.718 -4.617 5.294 1.00 95.67 N +ATOM 1143 CA ARG A 146 -0.991 -5.897 5.116 1.00 95.36 C +ATOM 1144 C ARG A 146 0.236 -5.805 4.211 1.00 95.53 C +ATOM 1145 O ARG A 146 1.097 -6.666 4.306 1.00 94.90 O +ATOM 1146 CB ARG A 146 -1.951 -6.976 4.597 1.00 94.52 C +ATOM 1147 CG ARG A 146 -2.422 -6.706 3.154 1.00 90.10 C +ATOM 1148 CD ARG A 146 -3.334 -7.804 2.610 1.00 87.69 C +ATOM 1149 NE ARG A 146 -3.765 -7.469 1.252 1.00 82.30 N +ATOM 1150 CZ ARG A 146 -4.834 -6.750 0.916 1.00 79.07 C +ATOM 1151 NH1 ARG A 146 -5.695 -6.350 1.807 1.00 71.40 N +ATOM 1152 NH2 ARG A 146 -5.019 -6.416 -0.313 1.00 71.19 N1+ +ATOM 1153 N ASN A 147 0.275 -4.808 3.346 1.00 96.12 N +ATOM 1154 CA ASN A 147 1.346 -4.582 2.374 1.00 96.03 C +ATOM 1155 C ASN A 147 2.251 -3.407 2.755 1.00 96.14 C +ATOM 1156 O ASN A 147 3.118 -3.030 1.974 1.00 95.81 O +ATOM 1157 CB ASN A 147 0.718 -4.399 0.977 1.00 95.80 C +ATOM 1158 CG ASN A 147 -0.004 -5.640 0.472 1.00 95.23 C +ATOM 1159 OD1 ASN A 147 0.171 -6.737 0.961 1.00 93.69 O +ATOM 1160 ND2 ASN A 147 -0.831 -5.498 -0.536 1.00 92.98 N +ATOM 1161 N VAL A 148 2.061 -2.844 3.921 1.00 96.47 N +ATOM 1162 CA VAL A 148 2.955 -1.859 4.511 1.00 96.46 C +ATOM 1163 C VAL A 148 3.721 -2.524 5.642 1.00 96.46 C +ATOM 1164 O VAL A 148 3.132 -3.021 6.603 1.00 96.24 O +ATOM 1165 CB VAL A 148 2.194 -0.614 4.983 1.00 96.43 C +ATOM 1166 CG1 VAL A 148 1.393 0.027 3.843 1.00 96.27 C +ATOM 1167 CG2 VAL A 148 3.184 0.434 5.515 1.00 96.34 C +ATOM 1168 N LEU A 149 5.026 -2.556 5.519 1.00 96.76 N +ATOM 1169 CA LEU A 149 5.934 -3.203 6.454 1.00 96.66 C +ATOM 1170 C LEU A 149 6.588 -2.161 7.366 1.00 96.74 C +ATOM 1171 O LEU A 149 6.872 -1.051 6.941 1.00 96.38 O +ATOM 1172 CB LEU A 149 6.993 -3.991 5.674 1.00 96.32 C +ATOM 1173 CG LEU A 149 6.431 -5.026 4.684 1.00 95.25 C +ATOM 1174 CD1 LEU A 149 7.589 -5.656 3.916 1.00 94.24 C +ATOM 1175 CD2 LEU A 149 5.665 -6.141 5.380 1.00 92.99 C +ATOM 1176 N LEU A 150 6.837 -2.532 8.599 1.00 96.24 N +ATOM 1177 CA LEU A 150 7.450 -1.683 9.614 1.00 96.09 C +ATOM 1178 C LEU A 150 8.900 -2.122 9.846 1.00 96.13 C +ATOM 1179 O LEU A 150 9.154 -3.236 10.317 1.00 95.62 O +ATOM 1180 CB LEU A 150 6.573 -1.761 10.872 1.00 95.51 C +ATOM 1181 CG LEU A 150 6.991 -0.810 11.995 1.00 92.79 C +ATOM 1182 CD1 LEU A 150 6.114 -1.071 13.216 1.00 90.70 C +ATOM 1183 CD2 LEU A 150 6.812 0.659 11.616 1.00 88.57 C +ATOM 1184 N ASP A 151 9.818 -1.230 9.542 1.00 95.20 N +ATOM 1185 CA ASP A 151 11.257 -1.483 9.717 1.00 94.98 C +ATOM 1186 C ASP A 151 11.688 -1.224 11.164 1.00 95.02 C +ATOM 1187 O ASP A 151 12.378 -2.038 11.783 1.00 94.21 O +ATOM 1188 CB ASP A 151 12.015 -0.587 8.729 1.00 94.01 C +ATOM 1189 CG ASP A 151 13.504 -0.921 8.646 1.00 90.89 C +ATOM 1190 OD1 ASP A 151 13.846 -2.129 8.700 1.00 86.21 O +ATOM 1191 OD2 ASP A 151 14.296 0.029 8.460 1.00 82.78 O +ATOM 1192 N ASN A 152 11.238 -0.114 11.718 1.00 95.02 N +ATOM 1193 CA ASN A 152 11.403 0.267 13.116 1.00 94.85 C +ATOM 1194 C ASN A 152 10.205 1.116 13.549 1.00 94.93 C +ATOM 1195 O ASN A 152 9.282 1.349 12.774 1.00 94.41 O +ATOM 1196 CB ASN A 152 12.753 0.983 13.278 1.00 94.43 C +ATOM 1197 CG ASN A 152 12.859 2.251 12.457 1.00 93.67 C +ATOM 1198 OD1 ASN A 152 12.145 3.212 12.704 1.00 91.48 O +ATOM 1199 ND2 ASN A 152 13.753 2.299 11.509 1.00 90.40 N +ATOM 1200 N ASP A 153 10.203 1.607 14.757 1.00 93.54 N +ATOM 1201 CA ASP A 153 9.093 2.386 15.338 1.00 93.43 C +ATOM 1202 C ASP A 153 8.762 3.697 14.595 1.00 93.78 C +ATOM 1203 O ASP A 153 7.735 4.296 14.872 1.00 92.49 O +ATOM 1204 CB ASP A 153 9.406 2.649 16.819 1.00 91.83 C +ATOM 1205 CG ASP A 153 10.600 3.579 17.072 1.00 85.98 C +ATOM 1206 OD1 ASP A 153 11.557 3.557 16.274 1.00 77.31 O +ATOM 1207 OD2 ASP A 153 10.562 4.332 18.073 1.00 75.11 O +ATOM 1208 N ARG A 154 9.594 4.113 13.661 1.00 93.50 N +ATOM 1209 CA ARG A 154 9.442 5.374 12.912 1.00 93.22 C +ATOM 1210 C ARG A 154 9.479 5.216 11.389 1.00 93.91 C +ATOM 1211 O ARG A 154 9.376 6.224 10.711 1.00 92.54 O +ATOM 1212 CB ARG A 154 10.513 6.387 13.366 1.00 90.92 C +ATOM 1213 CG ARG A 154 10.364 6.757 14.838 1.00 81.48 C +ATOM 1214 CD ARG A 154 11.338 7.867 15.187 1.00 73.84 C +ATOM 1215 NE ARG A 154 11.244 8.203 16.623 1.00 67.23 N +ATOM 1216 CZ ARG A 154 11.820 9.218 17.225 1.00 59.59 C +ATOM 1217 NH1 ARG A 154 12.582 10.057 16.569 1.00 52.62 N +ATOM 1218 NH2 ARG A 154 11.635 9.411 18.497 1.00 49.69 N1+ +ATOM 1219 N LEU A 155 9.672 4.033 10.868 1.00 96.22 N +ATOM 1220 CA LEU A 155 9.896 3.847 9.431 1.00 96.26 C +ATOM 1221 C LEU A 155 9.038 2.719 8.862 1.00 96.44 C +ATOM 1222 O LEU A 155 9.229 1.555 9.211 1.00 96.04 O +ATOM 1223 CB LEU A 155 11.396 3.610 9.190 1.00 95.85 C +ATOM 1224 CG LEU A 155 11.772 3.477 7.699 1.00 94.50 C +ATOM 1225 CD1 LEU A 155 13.270 3.173 7.573 1.00 93.59 C +ATOM 1226 CD2 LEU A 155 11.490 4.749 6.917 1.00 92.24 C +ATOM 1227 N VAL A 156 8.166 3.061 7.930 1.00 96.60 N +ATOM 1228 CA VAL A 156 7.382 2.099 7.154 1.00 96.65 C +ATOM 1229 C VAL A 156 7.859 2.039 5.714 1.00 96.73 C +ATOM 1230 O VAL A 156 8.374 3.003 5.158 1.00 96.37 O +ATOM 1231 CB VAL A 156 5.875 2.378 7.221 1.00 96.33 C +ATOM 1232 CG1 VAL A 156 5.358 2.224 8.650 1.00 95.27 C +ATOM 1233 CG2 VAL A 156 5.471 3.744 6.680 1.00 94.88 C +ATOM 1234 N LYS A 157 7.622 0.887 5.104 1.00 96.84 N +ATOM 1235 CA LYS A 157 7.951 0.621 3.704 1.00 96.73 C +ATOM 1236 C LYS A 157 6.796 -0.107 3.017 1.00 96.81 C +ATOM 1237 O LYS A 157 6.287 -1.096 3.531 1.00 96.50 O +ATOM 1238 CB LYS A 157 9.241 -0.202 3.603 1.00 96.42 C +ATOM 1239 CG LYS A 157 10.428 0.519 4.259 1.00 95.73 C +ATOM 1240 CD LYS A 157 11.739 -0.199 3.978 1.00 94.99 C +ATOM 1241 CE LYS A 157 12.865 0.564 4.672 1.00 93.54 C +ATOM 1242 NZ LYS A 157 14.197 0.135 4.190 1.00 91.63 N1+ +ATOM 1243 N ILE A 158 6.430 0.362 1.847 1.00 96.65 N +ATOM 1244 CA ILE A 158 5.423 -0.280 1.006 1.00 96.69 C +ATOM 1245 C ILE A 158 6.048 -1.499 0.333 1.00 96.72 C +ATOM 1246 O ILE A 158 7.158 -1.425 -0.202 1.00 96.50 O +ATOM 1247 CB ILE A 158 4.852 0.721 -0.014 1.00 96.63 C +ATOM 1248 CG1 ILE A 158 4.252 1.952 0.692 1.00 96.33 C +ATOM 1249 CG2 ILE A 158 3.782 0.047 -0.893 1.00 96.29 C +ATOM 1250 CD1 ILE A 158 4.011 3.132 -0.250 1.00 95.70 C +ATOM 1251 N GLY A 159 5.341 -2.607 0.350 1.00 95.81 N +ATOM 1252 CA GLY A 159 5.723 -3.843 -0.310 1.00 95.52 C +ATOM 1253 C GLY A 159 4.607 -4.427 -1.180 1.00 95.66 C +ATOM 1254 O GLY A 159 3.577 -3.799 -1.418 1.00 94.87 O +ATOM 1255 N ASP A 160 4.817 -5.646 -1.638 1.00 94.61 N +ATOM 1256 CA ASP A 160 3.919 -6.433 -2.494 1.00 94.43 C +ATOM 1257 C ASP A 160 3.476 -5.736 -3.786 1.00 94.71 C +ATOM 1258 O ASP A 160 2.309 -5.439 -4.020 1.00 93.57 O +ATOM 1259 CB ASP A 160 2.756 -7.041 -1.710 1.00 92.96 C +ATOM 1260 CG ASP A 160 2.098 -8.188 -2.484 1.00 86.20 C +ATOM 1261 OD1 ASP A 160 2.612 -8.616 -3.542 1.00 73.79 O +ATOM 1262 OD2 ASP A 160 1.074 -8.702 -2.013 1.00 71.97 O +ATOM 1263 N PHE A 161 4.419 -5.575 -4.684 1.00 95.46 N +ATOM 1264 CA PHE A 161 4.187 -5.003 -6.009 1.00 95.45 C +ATOM 1265 C PHE A 161 3.587 -6.007 -7.016 1.00 95.34 C +ATOM 1266 O PHE A 161 3.590 -5.753 -8.213 1.00 94.21 O +ATOM 1267 CB PHE A 161 5.484 -4.367 -6.504 1.00 95.05 C +ATOM 1268 CG PHE A 161 5.858 -3.137 -5.702 1.00 95.12 C +ATOM 1269 CD1 PHE A 161 5.442 -1.870 -6.140 1.00 94.01 C +ATOM 1270 CD2 PHE A 161 6.559 -3.255 -4.495 1.00 93.78 C +ATOM 1271 CE1 PHE A 161 5.705 -0.733 -5.364 1.00 92.76 C +ATOM 1272 CE2 PHE A 161 6.818 -2.124 -3.701 1.00 93.08 C +ATOM 1273 CZ PHE A 161 6.388 -0.863 -4.144 1.00 93.31 C +ATOM 1274 N GLY A 162 3.033 -7.107 -6.538 1.00 94.85 N +ATOM 1275 CA GLY A 162 2.481 -8.169 -7.393 1.00 94.56 C +ATOM 1276 C GLY A 162 1.336 -7.731 -8.310 1.00 94.83 C +ATOM 1277 O GLY A 162 1.182 -8.261 -9.415 1.00 94.01 O +ATOM 1278 N LEU A 163 0.550 -6.750 -7.898 1.00 95.33 N +ATOM 1279 CA LEU A 163 -0.511 -6.160 -8.715 1.00 95.42 C +ATOM 1280 C LEU A 163 -0.091 -4.845 -9.389 1.00 95.45 C +ATOM 1281 O LEU A 163 -0.876 -4.326 -10.184 1.00 94.87 O +ATOM 1282 CB LEU A 163 -1.759 -5.957 -7.847 1.00 95.19 C +ATOM 1283 CG LEU A 163 -2.454 -7.255 -7.422 1.00 94.55 C +ATOM 1284 CD1 LEU A 163 -3.713 -6.920 -6.607 1.00 93.87 C +ATOM 1285 CD2 LEU A 163 -2.915 -8.073 -8.634 1.00 93.19 C +ATOM 1286 N ALA A 164 1.071 -4.308 -9.093 1.00 95.88 N +ATOM 1287 CA ALA A 164 1.511 -3.039 -9.634 1.00 95.81 C +ATOM 1288 C ALA A 164 1.604 -3.085 -11.162 1.00 95.87 C +ATOM 1289 O ALA A 164 1.957 -4.097 -11.768 1.00 95.27 O +ATOM 1290 CB ALA A 164 2.831 -2.631 -8.982 1.00 95.42 C +ATOM 1291 N LYS A 165 1.258 -1.979 -11.797 1.00 95.45 N +ATOM 1292 CA LYS A 165 1.287 -1.844 -13.259 1.00 95.22 C +ATOM 1293 C LYS A 165 1.849 -0.492 -13.659 1.00 95.49 C +ATOM 1294 O LYS A 165 1.555 0.510 -13.023 1.00 94.99 O +ATOM 1295 CB LYS A 165 -0.115 -2.017 -13.846 1.00 94.37 C +ATOM 1296 CG LYS A 165 -0.685 -3.431 -13.676 1.00 90.18 C +ATOM 1297 CD LYS A 165 0.118 -4.499 -14.433 1.00 86.21 C +ATOM 1298 CE LYS A 165 -0.495 -5.872 -14.187 1.00 79.59 C +ATOM 1299 NZ LYS A 165 0.323 -6.944 -14.829 1.00 72.92 N1+ +ATOM 1300 N ALA A 166 2.596 -0.477 -14.735 1.00 94.87 N +ATOM 1301 CA ALA A 166 2.935 0.746 -15.418 1.00 94.78 C +ATOM 1302 C ALA A 166 1.696 1.329 -16.105 1.00 94.76 C +ATOM 1303 O ALA A 166 0.926 0.601 -16.742 1.00 93.95 O +ATOM 1304 CB ALA A 166 4.051 0.461 -16.419 1.00 94.09 C +ATOM 1305 N VAL A 167 1.510 2.625 -15.973 1.00 93.25 N +ATOM 1306 CA VAL A 167 0.506 3.351 -16.741 1.00 92.98 C +ATOM 1307 C VAL A 167 1.102 3.616 -18.122 1.00 92.81 C +ATOM 1308 O VAL A 167 2.161 4.230 -18.207 1.00 91.86 O +ATOM 1309 CB VAL A 167 0.086 4.647 -16.049 1.00 92.33 C +ATOM 1310 CG1 VAL A 167 -0.470 4.354 -14.660 1.00 91.01 C +ATOM 1311 CG2 VAL A 167 -1.006 5.369 -16.856 1.00 91.20 C +ATOM 1312 N PRO A 168 0.442 3.185 -19.200 1.00 89.97 N +ATOM 1313 CA PRO A 168 0.965 3.433 -20.533 1.00 89.26 C +ATOM 1314 C PRO A 168 1.081 4.927 -20.821 1.00 89.19 C +ATOM 1315 O PRO A 168 0.211 5.705 -20.414 1.00 87.85 O +ATOM 1316 CB PRO A 168 -0.013 2.744 -21.502 1.00 87.83 C +ATOM 1317 CG PRO A 168 -0.689 1.697 -20.633 1.00 86.28 C +ATOM 1318 CD PRO A 168 -0.728 2.353 -19.256 1.00 87.76 C +ATOM 1319 N GLU A 169 2.085 5.321 -21.537 1.00 86.91 N +ATOM 1320 CA GLU A 169 2.282 6.719 -21.908 1.00 86.43 C +ATOM 1321 C GLU A 169 1.068 7.279 -22.641 1.00 86.50 C +ATOM 1322 O GLU A 169 0.465 6.598 -23.494 1.00 82.46 O +ATOM 1323 CB GLU A 169 3.558 6.837 -22.747 1.00 83.24 C +ATOM 1324 CG GLU A 169 3.992 8.299 -22.951 1.00 76.37 C +ATOM 1325 CD GLU A 169 5.323 8.460 -23.682 1.00 70.84 C +ATOM 1326 OE1 GLU A 169 5.832 9.598 -23.688 1.00 61.20 O +ATOM 1327 OE2 GLU A 169 5.840 7.455 -24.230 1.00 59.53 O +ATOM 1328 N GLY A 170 0.680 8.481 -22.295 1.00 87.06 N +ATOM 1329 CA GLY A 170 -0.507 9.128 -22.838 1.00 86.88 C +ATOM 1330 C GLY A 170 -1.835 8.584 -22.310 1.00 87.68 C +ATOM 1331 O GLY A 170 -2.891 9.013 -22.783 1.00 85.84 O +ATOM 1332 N HIS A 171 -1.837 7.680 -21.335 1.00 87.89 N +ATOM 1333 CA HIS A 171 -3.033 7.172 -20.665 1.00 87.99 C +ATOM 1334 C HIS A 171 -3.098 7.670 -19.224 1.00 88.80 C +ATOM 1335 O HIS A 171 -2.082 7.895 -18.584 1.00 87.13 O +ATOM 1336 CB HIS A 171 -3.068 5.654 -20.722 1.00 86.90 C +ATOM 1337 CG HIS A 171 -3.230 5.098 -22.097 1.00 86.71 C +ATOM 1338 ND1 HIS A 171 -2.250 5.060 -23.080 1.00 78.14 N1+ +ATOM 1339 CD2 HIS A 171 -4.366 4.542 -22.657 1.00 78.26 C +ATOM 1340 CE1 HIS A 171 -2.779 4.514 -24.194 1.00 77.42 C +ATOM 1341 NE2 HIS A 171 -4.050 4.179 -23.974 1.00 79.80 N +ATOM 1342 N GLU A 172 -4.297 7.800 -18.724 1.00 89.81 N +ATOM 1343 CA GLU A 172 -4.557 8.196 -17.342 1.00 89.79 C +ATOM 1344 C GLU A 172 -4.834 6.987 -16.427 1.00 90.62 C +ATOM 1345 O GLU A 172 -4.829 7.105 -15.212 1.00 88.48 O +ATOM 1346 CB GLU A 172 -5.731 9.165 -17.302 1.00 87.12 C +ATOM 1347 CG GLU A 172 -5.424 10.468 -18.044 1.00 80.16 C +ATOM 1348 CD GLU A 172 -6.550 11.494 -17.940 1.00 77.42 C +ATOM 1349 OE1 GLU A 172 -6.285 12.682 -18.295 1.00 65.31 O +ATOM 1350 OE2 GLU A 172 -7.675 11.125 -17.518 1.00 63.16 O +ATOM 1351 N TYR A 173 -5.100 5.846 -17.029 1.00 91.95 N +ATOM 1352 CA TYR A 173 -5.454 4.644 -16.297 1.00 92.49 C +ATOM 1353 C TYR A 173 -4.884 3.379 -16.938 1.00 92.69 C +ATOM 1354 O TYR A 173 -4.581 3.315 -18.125 1.00 91.21 O +ATOM 1355 CB TYR A 173 -6.972 4.540 -16.174 1.00 91.58 C +ATOM 1356 CG TYR A 173 -7.725 4.360 -17.491 1.00 91.83 C +ATOM 1357 CD1 TYR A 173 -8.208 5.478 -18.197 1.00 90.74 C +ATOM 1358 CD2 TYR A 173 -7.944 3.075 -18.011 1.00 90.79 C +ATOM 1359 CE1 TYR A 173 -8.883 5.314 -19.407 1.00 89.88 C +ATOM 1360 CE2 TYR A 173 -8.614 2.903 -19.221 1.00 90.18 C +ATOM 1361 CZ TYR A 173 -9.083 4.019 -19.918 1.00 90.47 C +ATOM 1362 OH TYR A 173 -9.742 3.849 -21.095 1.00 88.23 O +ATOM 1363 N TYR A 174 -4.829 2.339 -16.141 1.00 92.89 N +ATOM 1364 CA TYR A 174 -4.629 0.965 -16.588 1.00 92.86 C +ATOM 1365 C TYR A 174 -5.968 0.208 -16.545 1.00 92.92 C +ATOM 1366 O TYR A 174 -6.727 0.364 -15.597 1.00 91.88 O +ATOM 1367 CB TYR A 174 -3.568 0.307 -15.703 1.00 91.85 C +ATOM 1368 CG TYR A 174 -3.305 -1.130 -16.071 1.00 90.48 C +ATOM 1369 CD1 TYR A 174 -2.466 -1.445 -17.157 1.00 88.35 C +ATOM 1370 CD2 TYR A 174 -3.933 -2.171 -15.353 1.00 87.49 C +ATOM 1371 CE1 TYR A 174 -2.256 -2.774 -17.534 1.00 85.89 C +ATOM 1372 CE2 TYR A 174 -3.721 -3.507 -15.729 1.00 86.71 C +ATOM 1373 CZ TYR A 174 -2.894 -3.804 -16.821 1.00 86.41 C +ATOM 1374 OH TYR A 174 -2.678 -5.111 -17.202 1.00 84.29 O +ATOM 1375 N ARG A 175 -6.252 -0.629 -17.517 1.00 91.76 N +ATOM 1376 CA ARG A 175 -7.442 -1.478 -17.525 1.00 91.45 C +ATOM 1377 C ARG A 175 -7.053 -2.934 -17.333 1.00 91.32 C +ATOM 1378 O ARG A 175 -6.246 -3.465 -18.099 1.00 90.23 O +ATOM 1379 CB ARG A 175 -8.276 -1.248 -18.798 1.00 90.66 C +ATOM 1380 CG ARG A 175 -9.595 -2.011 -18.751 1.00 87.40 C +ATOM 1381 CD ARG A 175 -10.450 -1.707 -19.994 1.00 86.70 C +ATOM 1382 NE ARG A 175 -11.637 -0.918 -19.653 1.00 83.28 N +ATOM 1383 CZ ARG A 175 -12.570 -0.509 -20.483 1.00 81.68 C +ATOM 1384 NH1 ARG A 175 -12.489 -0.765 -21.748 1.00 76.12 N +ATOM 1385 NH2 ARG A 175 -13.589 0.161 -20.067 1.00 76.97 N1+ +ATOM 1386 N VAL A 176 -7.668 -3.580 -16.366 1.00 88.56 N +ATOM 1387 CA VAL A 176 -7.496 -5.009 -16.129 1.00 88.15 C +ATOM 1388 C VAL A 176 -8.452 -5.791 -17.035 1.00 87.76 C +ATOM 1389 O VAL A 176 -9.558 -5.368 -17.289 1.00 85.10 O +ATOM 1390 CB VAL A 176 -7.689 -5.349 -14.656 1.00 86.27 C +ATOM 1391 CG1 VAL A 176 -6.672 -4.587 -13.814 1.00 84.55 C +ATOM 1392 CG2 VAL A 176 -7.483 -6.838 -14.358 1.00 83.85 C +ATOM 1393 N ARG A 177 -7.986 -6.923 -17.499 1.00 80.76 N +ATOM 1394 CA ARG A 177 -8.785 -7.828 -18.361 1.00 79.89 C +ATOM 1395 C ARG A 177 -8.986 -9.214 -17.756 1.00 80.26 C +ATOM 1396 O ARG A 177 -9.627 -10.040 -18.378 1.00 74.09 O +ATOM 1397 CB ARG A 177 -8.124 -7.945 -19.731 1.00 75.23 C +ATOM 1398 CG ARG A 177 -8.091 -6.625 -20.492 1.00 68.49 C +ATOM 1399 CD ARG A 177 -7.549 -6.892 -21.912 1.00 63.57 C +ATOM 1400 NE ARG A 177 -7.473 -5.670 -22.691 1.00 58.46 N +ATOM 1401 CZ ARG A 177 -7.108 -5.590 -23.967 1.00 50.89 C +ATOM 1402 NH1 ARG A 177 -6.762 -6.646 -24.640 1.00 49.38 N +ATOM 1403 NH2 ARG A 177 -7.067 -4.429 -24.564 1.00 45.64 N1+ +ATOM 1404 N GLU A 178 -8.404 -9.455 -16.626 1.00 75.77 N +ATOM 1405 CA GLU A 178 -8.332 -10.769 -16.004 1.00 73.79 C +ATOM 1406 C GLU A 178 -9.115 -10.764 -14.699 1.00 73.98 C +ATOM 1407 O GLU A 178 -8.911 -9.889 -13.849 1.00 69.05 O +ATOM 1408 CB GLU A 178 -6.847 -11.116 -15.745 1.00 69.34 C +ATOM 1409 CG GLU A 178 -6.079 -11.220 -17.059 1.00 63.96 C +ATOM 1410 CD GLU A 178 -4.574 -11.398 -16.861 1.00 60.05 C +ATOM 1411 OE1 GLU A 178 -3.828 -11.255 -17.869 1.00 51.67 O +ATOM 1412 OE2 GLU A 178 -4.140 -11.697 -15.732 1.00 49.36 O +ATOM 1413 N ASP A 179 -9.975 -11.761 -14.544 1.00 73.26 N +ATOM 1414 CA ASP A 179 -10.571 -12.052 -13.261 1.00 73.02 C +ATOM 1415 C ASP A 179 -9.539 -12.742 -12.361 1.00 73.60 C +ATOM 1416 O ASP A 179 -8.752 -13.571 -12.813 1.00 68.98 O +ATOM 1417 CB ASP A 179 -11.816 -12.922 -13.451 1.00 69.10 C +ATOM 1418 CG ASP A 179 -12.955 -12.182 -14.148 1.00 66.27 C +ATOM 1419 OD1 ASP A 179 -13.082 -10.961 -13.930 1.00 57.77 O +ATOM 1420 OD2 ASP A 179 -13.699 -12.845 -14.900 1.00 57.71 O +ATOM 1421 N GLY A 180 -9.539 -12.399 -11.076 1.00 75.27 N +ATOM 1422 CA GLY A 180 -8.676 -13.017 -10.099 1.00 74.44 C +ATOM 1423 C GLY A 180 -8.999 -12.515 -8.704 1.00 75.91 C +ATOM 1424 O GLY A 180 -9.822 -11.618 -8.520 1.00 71.63 O +ATOM 1425 N ASP A 181 -8.320 -13.057 -7.720 1.00 79.71 N +ATOM 1426 CA ASP A 181 -8.450 -12.611 -6.332 1.00 80.51 C +ATOM 1427 C ASP A 181 -7.982 -11.167 -6.189 1.00 81.85 C +ATOM 1428 O ASP A 181 -6.800 -10.865 -6.102 1.00 79.03 O +ATOM 1429 CB ASP A 181 -7.696 -13.551 -5.391 1.00 77.30 C +ATOM 1430 CG ASP A 181 -8.426 -14.887 -5.177 1.00 74.08 C +ATOM 1431 OD1 ASP A 181 -9.650 -14.935 -5.373 1.00 68.07 O +ATOM 1432 OD2 ASP A 181 -7.736 -15.853 -4.777 1.00 68.51 O +ATOM 1433 N SER A 182 -8.940 -10.284 -6.203 1.00 89.09 N +ATOM 1434 CA SER A 182 -8.731 -8.847 -6.094 1.00 89.43 C +ATOM 1435 C SER A 182 -9.131 -8.365 -4.700 1.00 89.86 C +ATOM 1436 O SER A 182 -10.158 -8.801 -4.174 1.00 88.80 O +ATOM 1437 CB SER A 182 -9.529 -8.131 -7.174 1.00 88.22 C +ATOM 1438 OG SER A 182 -8.978 -8.419 -8.454 1.00 84.62 O +ATOM 1439 N PRO A 183 -8.399 -7.446 -4.106 1.00 93.37 N +ATOM 1440 CA PRO A 183 -8.730 -6.877 -2.798 1.00 93.38 C +ATOM 1441 C PRO A 183 -9.881 -5.867 -2.915 1.00 93.68 C +ATOM 1442 O PRO A 183 -9.700 -4.676 -2.690 1.00 92.98 O +ATOM 1443 CB PRO A 183 -7.417 -6.276 -2.298 1.00 92.64 C +ATOM 1444 CG PRO A 183 -6.724 -5.804 -3.577 1.00 91.44 C +ATOM 1445 CD PRO A 183 -7.119 -6.902 -4.572 1.00 92.75 C +ATOM 1446 N VAL A 184 -11.061 -6.340 -3.257 1.00 95.33 N +ATOM 1447 CA VAL A 184 -12.226 -5.528 -3.647 1.00 95.33 C +ATOM 1448 C VAL A 184 -12.638 -4.509 -2.582 1.00 95.44 C +ATOM 1449 O VAL A 184 -13.040 -3.402 -2.931 1.00 94.98 O +ATOM 1450 CB VAL A 184 -13.423 -6.411 -4.026 1.00 94.81 C +ATOM 1451 CG1 VAL A 184 -13.096 -7.236 -5.280 1.00 93.47 C +ATOM 1452 CG2 VAL A 184 -13.868 -7.349 -2.912 1.00 93.20 C +ATOM 1453 N PHE A 185 -12.488 -4.819 -1.309 1.00 95.20 N +ATOM 1454 CA PHE A 185 -12.820 -3.902 -0.217 1.00 95.31 C +ATOM 1455 C PHE A 185 -11.880 -2.687 -0.098 1.00 95.36 C +ATOM 1456 O PHE A 185 -12.194 -1.744 0.618 1.00 95.03 O +ATOM 1457 CB PHE A 185 -12.856 -4.685 1.095 1.00 95.23 C +ATOM 1458 CG PHE A 185 -13.859 -5.818 1.085 1.00 95.25 C +ATOM 1459 CD1 PHE A 185 -15.232 -5.549 1.072 1.00 94.73 C +ATOM 1460 CD2 PHE A 185 -13.420 -7.153 1.095 1.00 94.70 C +ATOM 1461 CE1 PHE A 185 -16.159 -6.603 1.071 1.00 94.05 C +ATOM 1462 CE2 PHE A 185 -14.337 -8.203 1.106 1.00 94.01 C +ATOM 1463 CZ PHE A 185 -15.708 -7.933 1.091 1.00 94.04 C +ATOM 1464 N TRP A 186 -10.784 -2.695 -0.806 1.00 95.09 N +ATOM 1465 CA TRP A 186 -9.895 -1.535 -0.955 1.00 95.11 C +ATOM 1466 C TRP A 186 -10.084 -0.804 -2.300 1.00 95.18 C +ATOM 1467 O TRP A 186 -9.397 0.178 -2.538 1.00 95.00 O +ATOM 1468 CB TRP A 186 -8.435 -1.973 -0.783 1.00 95.16 C +ATOM 1469 CG TRP A 186 -8.041 -2.304 0.627 1.00 95.36 C +ATOM 1470 CD1 TRP A 186 -7.343 -1.506 1.463 1.00 95.19 C +ATOM 1471 CD2 TRP A 186 -8.369 -3.523 1.387 1.00 95.34 C +ATOM 1472 NE1 TRP A 186 -7.206 -2.141 2.703 1.00 94.97 N +ATOM 1473 CE2 TRP A 186 -7.839 -3.364 2.693 1.00 95.07 C +ATOM 1474 CE3 TRP A 186 -9.060 -4.719 1.108 1.00 95.02 C +ATOM 1475 CZ2 TRP A 186 -7.991 -4.350 3.708 1.00 94.62 C +ATOM 1476 CZ3 TRP A 186 -9.218 -5.703 2.115 1.00 94.71 C +ATOM 1477 CH2 TRP A 186 -8.686 -5.509 3.407 1.00 94.55 C +ATOM 1478 N TYR A 187 -10.950 -1.288 -3.159 1.00 95.95 N +ATOM 1479 CA TYR A 187 -11.100 -0.760 -4.497 1.00 95.87 C +ATOM 1480 C TYR A 187 -12.146 0.347 -4.592 1.00 96.07 C +ATOM 1481 O TYR A 187 -13.236 0.262 -4.024 1.00 95.70 O +ATOM 1482 CB TYR A 187 -11.385 -1.887 -5.500 1.00 95.49 C +ATOM 1483 CG TYR A 187 -10.190 -2.738 -5.907 1.00 94.65 C +ATOM 1484 CD1 TYR A 187 -8.884 -2.497 -5.430 1.00 93.50 C +ATOM 1485 CD2 TYR A 187 -10.393 -3.763 -6.850 1.00 92.74 C +ATOM 1486 CE1 TYR A 187 -7.806 -3.273 -5.874 1.00 92.36 C +ATOM 1487 CE2 TYR A 187 -9.320 -4.545 -7.299 1.00 92.12 C +ATOM 1488 CZ TYR A 187 -8.021 -4.299 -6.808 1.00 92.24 C +ATOM 1489 OH TYR A 187 -6.971 -5.060 -7.256 1.00 91.81 O +ATOM 1490 N ALA A 188 -11.809 1.351 -5.369 1.00 95.74 N +ATOM 1491 CA ALA A 188 -12.710 2.416 -5.755 1.00 95.69 C +ATOM 1492 C ALA A 188 -13.801 1.936 -6.725 1.00 95.74 C +ATOM 1493 O ALA A 188 -13.616 0.928 -7.415 1.00 95.58 O +ATOM 1494 CB ALA A 188 -11.855 3.523 -6.373 1.00 95.57 C +ATOM 1495 N PRO A 189 -14.912 2.663 -6.868 1.00 95.35 N +ATOM 1496 CA PRO A 189 -16.016 2.278 -7.757 1.00 95.16 C +ATOM 1497 C PRO A 189 -15.599 1.995 -9.202 1.00 95.21 C +ATOM 1498 O PRO A 189 -16.038 1.003 -9.790 1.00 94.91 O +ATOM 1499 CB PRO A 189 -17.002 3.451 -7.691 1.00 94.84 C +ATOM 1500 CG PRO A 189 -16.780 3.998 -6.279 1.00 94.05 C +ATOM 1501 CD PRO A 189 -15.279 3.834 -6.084 1.00 94.81 C +ATOM 1502 N GLU A 190 -14.733 2.810 -9.775 1.00 95.00 N +ATOM 1503 CA GLU A 190 -14.243 2.593 -11.148 1.00 94.95 C +ATOM 1504 C GLU A 190 -13.434 1.304 -11.325 1.00 94.83 C +ATOM 1505 O GLU A 190 -13.413 0.743 -12.413 1.00 94.27 O +ATOM 1506 CB GLU A 190 -13.420 3.812 -11.614 1.00 94.71 C +ATOM 1507 CG GLU A 190 -12.046 4.026 -10.965 1.00 93.91 C +ATOM 1508 CD GLU A 190 -12.047 4.752 -9.605 1.00 93.86 C +ATOM 1509 OE1 GLU A 190 -10.966 4.988 -9.068 1.00 87.40 O +ATOM 1510 OE2 GLU A 190 -13.115 5.089 -9.087 1.00 86.19 O +ATOM 1511 N CYS A 191 -12.789 0.823 -10.263 1.00 95.36 N +ATOM 1512 CA CYS A 191 -12.095 -0.450 -10.280 1.00 95.21 C +ATOM 1513 C CYS A 191 -13.079 -1.629 -10.267 1.00 95.16 C +ATOM 1514 O CYS A 191 -12.882 -2.608 -10.970 1.00 94.68 O +ATOM 1515 CB CYS A 191 -11.145 -0.552 -9.083 1.00 95.05 C +ATOM 1516 SG CYS A 191 -10.002 0.845 -8.977 1.00 94.48 S +ATOM 1517 N LEU A 192 -14.131 -1.502 -9.472 1.00 94.77 N +ATOM 1518 CA LEU A 192 -15.148 -2.545 -9.314 1.00 94.68 C +ATOM 1519 C LEU A 192 -16.053 -2.663 -10.556 1.00 94.64 C +ATOM 1520 O LEU A 192 -16.393 -3.772 -10.957 1.00 94.23 O +ATOM 1521 CB LEU A 192 -15.994 -2.228 -8.083 1.00 94.61 C +ATOM 1522 CG LEU A 192 -15.238 -2.220 -6.731 1.00 94.15 C +ATOM 1523 CD1 LEU A 192 -16.191 -1.784 -5.617 1.00 93.46 C +ATOM 1524 CD2 LEU A 192 -14.700 -3.602 -6.375 1.00 93.30 C +ATOM 1525 N LYS A 193 -16.409 -1.540 -11.117 1.00 94.34 N +ATOM 1526 CA LYS A 193 -17.428 -1.452 -12.173 1.00 94.03 C +ATOM 1527 C LYS A 193 -16.818 -1.482 -13.576 1.00 94.09 C +ATOM 1528 O LYS A 193 -17.388 -2.078 -14.482 1.00 93.16 O +ATOM 1529 CB LYS A 193 -18.265 -0.188 -11.938 1.00 93.13 C +ATOM 1530 CG LYS A 193 -19.514 -0.097 -12.775 1.00 88.68 C +ATOM 1531 CD LYS A 193 -20.298 1.127 -12.335 1.00 86.39 C +ATOM 1532 CE LYS A 193 -21.633 1.234 -13.060 1.00 79.44 C +ATOM 1533 NZ LYS A 193 -22.465 2.322 -12.458 1.00 73.84 N1+ +ATOM 1534 N GLU A 194 -15.710 -0.835 -13.781 1.00 93.98 N +ATOM 1535 CA GLU A 194 -15.123 -0.610 -15.095 1.00 93.75 C +ATOM 1536 C GLU A 194 -13.749 -1.275 -15.281 1.00 94.02 C +ATOM 1537 O GLU A 194 -13.172 -1.197 -16.374 1.00 92.75 O +ATOM 1538 CB GLU A 194 -14.991 0.891 -15.366 1.00 92.47 C +ATOM 1539 CG GLU A 194 -16.321 1.633 -15.294 1.00 85.56 C +ATOM 1540 CD GLU A 194 -16.170 3.113 -15.683 1.00 79.68 C +ATOM 1541 OE1 GLU A 194 -17.169 3.821 -15.644 1.00 68.17 O +ATOM 1542 OE2 GLU A 194 -15.053 3.522 -16.099 1.00 65.40 O +ATOM 1543 N TYR A 195 -13.226 -1.898 -14.269 1.00 93.71 N +ATOM 1544 CA TYR A 195 -11.890 -2.479 -14.258 1.00 93.55 C +ATOM 1545 C TYR A 195 -10.774 -1.479 -14.616 1.00 93.86 C +ATOM 1546 O TYR A 195 -9.711 -1.858 -15.103 1.00 92.76 O +ATOM 1547 CB TYR A 195 -11.841 -3.759 -15.100 1.00 92.37 C +ATOM 1548 CG TYR A 195 -12.877 -4.784 -14.718 1.00 89.83 C +ATOM 1549 CD1 TYR A 195 -12.571 -5.755 -13.745 1.00 86.32 C +ATOM 1550 CD2 TYR A 195 -14.161 -4.782 -15.334 1.00 84.00 C +ATOM 1551 CE1 TYR A 195 -13.534 -6.717 -13.383 1.00 79.61 C +ATOM 1552 CE2 TYR A 195 -15.122 -5.742 -14.975 1.00 80.75 C +ATOM 1553 CZ TYR A 195 -14.807 -6.706 -13.993 1.00 80.01 C +ATOM 1554 OH TYR A 195 -15.744 -7.655 -13.638 1.00 78.42 O +ATOM 1555 N LYS A 196 -11.031 -0.214 -14.346 1.00 94.18 N +ATOM 1556 CA LYS A 196 -10.072 0.874 -14.561 1.00 93.90 C +ATOM 1557 C LYS A 196 -9.354 1.236 -13.276 1.00 94.06 C +ATOM 1558 O LYS A 196 -9.989 1.436 -12.254 1.00 93.23 O +ATOM 1559 CB LYS A 196 -10.784 2.100 -15.132 1.00 93.16 C +ATOM 1560 CG LYS A 196 -11.305 1.914 -16.553 1.00 90.12 C +ATOM 1561 CD LYS A 196 -12.025 3.207 -16.953 1.00 87.42 C +ATOM 1562 CE LYS A 196 -12.762 3.084 -18.295 1.00 82.87 C +ATOM 1563 NZ LYS A 196 -13.780 4.161 -18.393 1.00 78.18 N1+ +ATOM 1564 N PHE A 197 -8.051 1.378 -13.361 1.00 94.79 N +ATOM 1565 CA PHE A 197 -7.199 1.774 -12.257 1.00 94.87 C +ATOM 1566 C PHE A 197 -6.463 3.058 -12.617 1.00 94.81 C +ATOM 1567 O PHE A 197 -5.578 3.045 -13.476 1.00 93.73 O +ATOM 1568 CB PHE A 197 -6.225 0.653 -11.931 1.00 94.15 C +ATOM 1569 CG PHE A 197 -6.897 -0.574 -11.358 1.00 92.42 C +ATOM 1570 CD1 PHE A 197 -6.922 -0.776 -9.969 1.00 89.01 C +ATOM 1571 CD2 PHE A 197 -7.523 -1.499 -12.203 1.00 90.13 C +ATOM 1572 CE1 PHE A 197 -7.581 -1.893 -9.431 1.00 89.39 C +ATOM 1573 CE2 PHE A 197 -8.196 -2.617 -11.674 1.00 88.87 C +ATOM 1574 CZ PHE A 197 -8.225 -2.808 -10.284 1.00 88.67 C +ATOM 1575 N TYR A 198 -6.851 4.122 -11.978 1.00 95.09 N +ATOM 1576 CA TYR A 198 -6.201 5.421 -12.032 1.00 94.93 C +ATOM 1577 C TYR A 198 -5.195 5.556 -10.883 1.00 95.02 C +ATOM 1578 O TYR A 198 -5.262 4.817 -9.898 1.00 94.47 O +ATOM 1579 CB TYR A 198 -7.258 6.513 -11.929 1.00 94.42 C +ATOM 1580 CG TYR A 198 -8.244 6.514 -13.085 1.00 93.78 C +ATOM 1581 CD1 TYR A 198 -8.073 7.401 -14.176 1.00 92.62 C +ATOM 1582 CD2 TYR A 198 -9.357 5.656 -13.080 1.00 91.52 C +ATOM 1583 CE1 TYR A 198 -8.985 7.414 -15.232 1.00 90.82 C +ATOM 1584 CE2 TYR A 198 -10.268 5.653 -14.140 1.00 91.68 C +ATOM 1585 CZ TYR A 198 -10.081 6.534 -15.212 1.00 91.51 C +ATOM 1586 OH TYR A 198 -10.976 6.552 -16.259 1.00 89.80 O +ATOM 1587 N TYR A 199 -4.351 6.577 -10.927 1.00 96.06 N +ATOM 1588 CA TYR A 199 -3.589 6.988 -9.742 1.00 95.98 C +ATOM 1589 C TYR A 199 -4.511 7.309 -8.559 1.00 96.05 C +ATOM 1590 O TYR A 199 -4.268 6.869 -7.436 1.00 95.66 O +ATOM 1591 CB TYR A 199 -2.740 8.212 -10.089 1.00 95.69 C +ATOM 1592 CG TYR A 199 -1.693 7.958 -11.158 1.00 95.31 C +ATOM 1593 CD1 TYR A 199 -0.607 7.111 -10.889 1.00 94.59 C +ATOM 1594 CD2 TYR A 199 -1.801 8.567 -12.421 1.00 94.31 C +ATOM 1595 CE1 TYR A 199 0.376 6.869 -11.863 1.00 93.71 C +ATOM 1596 CE2 TYR A 199 -0.824 8.329 -13.407 1.00 93.67 C +ATOM 1597 CZ TYR A 199 0.262 7.487 -13.119 1.00 93.70 C +ATOM 1598 OH TYR A 199 1.234 7.269 -14.078 1.00 92.54 O +ATOM 1599 N ALA A 200 -5.631 7.948 -8.845 1.00 95.46 N +ATOM 1600 CA ALA A 200 -6.664 8.215 -7.843 1.00 95.36 C +ATOM 1601 C ALA A 200 -7.317 6.956 -7.252 1.00 95.61 C +ATOM 1602 O ALA A 200 -7.936 7.041 -6.194 1.00 95.28 O +ATOM 1603 CB ALA A 200 -7.703 9.112 -8.502 1.00 94.89 C +ATOM 1604 N SER A 201 -7.190 5.797 -7.890 1.00 96.09 N +ATOM 1605 CA SER A 201 -7.669 4.533 -7.319 1.00 96.03 C +ATOM 1606 C SER A 201 -6.759 4.052 -6.188 1.00 96.14 C +ATOM 1607 O SER A 201 -7.257 3.522 -5.199 1.00 95.91 O +ATOM 1608 CB SER A 201 -7.792 3.450 -8.382 1.00 95.84 C +ATOM 1609 OG SER A 201 -8.497 3.915 -9.529 1.00 95.30 O +ATOM 1610 N ASP A 202 -5.474 4.320 -6.279 1.00 96.42 N +ATOM 1611 CA ASP A 202 -4.561 4.085 -5.147 1.00 96.38 C +ATOM 1612 C ASP A 202 -4.836 5.049 -3.988 1.00 96.42 C +ATOM 1613 O ASP A 202 -4.745 4.645 -2.833 1.00 96.13 O +ATOM 1614 CB ASP A 202 -3.104 4.234 -5.589 1.00 96.28 C +ATOM 1615 CG ASP A 202 -2.529 3.045 -6.344 1.00 96.06 C +ATOM 1616 OD1 ASP A 202 -3.073 1.922 -6.255 1.00 95.18 O +ATOM 1617 OD2 ASP A 202 -1.452 3.232 -6.964 1.00 94.68 O +ATOM 1618 N VAL A 203 -5.239 6.276 -4.289 1.00 96.25 N +ATOM 1619 CA VAL A 203 -5.652 7.240 -3.252 1.00 96.33 C +ATOM 1620 C VAL A 203 -6.884 6.741 -2.497 1.00 96.38 C +ATOM 1621 O VAL A 203 -6.944 6.861 -1.276 1.00 96.22 O +ATOM 1622 CB VAL A 203 -5.912 8.628 -3.859 1.00 96.28 C +ATOM 1623 CG1 VAL A 203 -4.626 9.204 -4.459 1.00 96.08 C +ATOM 1624 CG2 VAL A 203 -6.410 9.632 -2.808 1.00 96.13 C +ATOM 1625 N TRP A 204 -7.829 6.138 -3.190 1.00 96.29 N +ATOM 1626 CA TRP A 204 -8.951 5.469 -2.519 1.00 96.26 C +ATOM 1627 C TRP A 204 -8.459 4.375 -1.570 1.00 96.23 C +ATOM 1628 O TRP A 204 -8.825 4.339 -0.396 1.00 95.96 O +ATOM 1629 CB TRP A 204 -9.917 4.892 -3.550 1.00 96.27 C +ATOM 1630 CG TRP A 204 -11.079 4.164 -2.955 1.00 96.36 C +ATOM 1631 CD1 TRP A 204 -11.042 2.979 -2.294 1.00 95.97 C +ATOM 1632 CD2 TRP A 204 -12.479 4.589 -2.948 1.00 96.05 C +ATOM 1633 NE1 TRP A 204 -12.312 2.652 -1.861 1.00 95.74 N +ATOM 1634 CE2 TRP A 204 -13.215 3.612 -2.229 1.00 95.94 C +ATOM 1635 CE3 TRP A 204 -13.168 5.703 -3.474 1.00 95.98 C +ATOM 1636 CZ2 TRP A 204 -14.610 3.735 -2.021 1.00 95.63 C +ATOM 1637 CZ3 TRP A 204 -14.571 5.827 -3.282 1.00 95.68 C +ATOM 1638 CH2 TRP A 204 -15.275 4.852 -2.558 1.00 95.56 C +ATOM 1639 N SER A 205 -7.589 3.507 -2.057 1.00 96.02 N +ATOM 1640 CA SER A 205 -7.000 2.433 -1.250 1.00 95.92 C +ATOM 1641 C SER A 205 -6.222 2.977 -0.051 1.00 96.02 C +ATOM 1642 O SER A 205 -6.280 2.395 1.029 1.00 95.80 O +ATOM 1643 CB SER A 205 -6.075 1.561 -2.095 1.00 95.72 C +ATOM 1644 OG SER A 205 -6.753 1.065 -3.238 1.00 94.68 O +ATOM 1645 N PHE A 206 -5.552 4.109 -0.215 1.00 96.67 N +ATOM 1646 CA PHE A 206 -4.912 4.805 0.892 1.00 96.69 C +ATOM 1647 C PHE A 206 -5.923 5.265 1.949 1.00 96.72 C +ATOM 1648 O PHE A 206 -5.668 5.061 3.131 1.00 96.57 O +ATOM 1649 CB PHE A 206 -4.101 5.991 0.374 1.00 96.70 C +ATOM 1650 CG PHE A 206 -3.592 6.867 1.495 1.00 96.74 C +ATOM 1651 CD1 PHE A 206 -2.531 6.430 2.298 1.00 96.45 C +ATOM 1652 CD2 PHE A 206 -4.244 8.072 1.808 1.00 96.48 C +ATOM 1653 CE1 PHE A 206 -2.116 7.168 3.416 1.00 96.22 C +ATOM 1654 CE2 PHE A 206 -3.839 8.824 2.924 1.00 96.20 C +ATOM 1655 CZ PHE A 206 -2.776 8.374 3.735 1.00 96.17 C +ATOM 1656 N GLY A 207 -7.046 5.785 1.562 1.00 96.51 N +ATOM 1657 CA GLY A 207 -8.110 6.132 2.509 1.00 96.43 C +ATOM 1658 C GLY A 207 -8.567 4.915 3.324 1.00 96.58 C +ATOM 1659 O GLY A 207 -8.725 5.006 4.541 1.00 96.36 O +ATOM 1660 N VAL A 208 -8.683 3.751 2.686 1.00 96.44 N +ATOM 1661 CA VAL A 208 -8.993 2.494 3.374 1.00 96.42 C +ATOM 1662 C VAL A 208 -7.819 2.039 4.248 1.00 96.39 C +ATOM 1663 O VAL A 208 -8.035 1.586 5.370 1.00 96.22 O +ATOM 1664 CB VAL A 208 -9.380 1.389 2.368 1.00 96.42 C +ATOM 1665 CG1 VAL A 208 -10.565 1.823 1.481 1.00 96.26 C +ATOM 1666 CG2 VAL A 208 -9.827 0.123 3.103 1.00 96.36 C +ATOM 1667 N THR A 209 -6.596 2.221 3.805 1.00 96.50 N +ATOM 1668 CA THR A 209 -5.410 1.936 4.620 1.00 96.49 C +ATOM 1669 C THR A 209 -5.340 2.845 5.841 1.00 96.52 C +ATOM 1670 O THR A 209 -5.095 2.361 6.948 1.00 96.33 O +ATOM 1671 CB THR A 209 -4.128 2.069 3.788 1.00 96.44 C +ATOM 1672 OG1 THR A 209 -4.213 1.264 2.641 1.00 95.96 O +ATOM 1673 CG2 THR A 209 -2.883 1.643 4.559 1.00 95.81 C +ATOM 1674 N LEU A 210 -5.630 4.111 5.688 1.00 96.82 N +ATOM 1675 CA LEU A 210 -5.687 5.071 6.789 1.00 96.73 C +ATOM 1676 C LEU A 210 -6.763 4.666 7.808 1.00 96.77 C +ATOM 1677 O LEU A 210 -6.495 4.688 9.004 1.00 96.65 O +ATOM 1678 CB LEU A 210 -5.914 6.469 6.210 1.00 96.62 C +ATOM 1679 CG LEU A 210 -5.923 7.607 7.260 1.00 96.01 C +ATOM 1680 CD1 LEU A 210 -6.124 8.947 6.544 1.00 95.48 C +ATOM 1681 CD2 LEU A 210 -4.616 7.694 8.049 1.00 94.99 C +ATOM 1682 N TYR A 211 -7.915 4.193 7.339 1.00 96.18 N +ATOM 1683 CA TYR A 211 -8.937 3.609 8.207 1.00 96.18 C +ATOM 1684 C TYR A 211 -8.391 2.398 8.979 1.00 96.12 C +ATOM 1685 O TYR A 211 -8.579 2.318 10.194 1.00 95.88 O +ATOM 1686 CB TYR A 211 -10.164 3.243 7.370 1.00 96.18 C +ATOM 1687 CG TYR A 211 -11.178 2.391 8.108 1.00 96.21 C +ATOM 1688 CD1 TYR A 211 -12.214 2.985 8.835 1.00 95.86 C +ATOM 1689 CD2 TYR A 211 -11.051 0.991 8.102 1.00 95.83 C +ATOM 1690 CE1 TYR A 211 -13.121 2.189 9.580 1.00 95.49 C +ATOM 1691 CE2 TYR A 211 -11.931 0.191 8.832 1.00 95.44 C +ATOM 1692 CZ TYR A 211 -12.969 0.797 9.578 1.00 95.42 C +ATOM 1693 OH TYR A 211 -13.824 0.012 10.304 1.00 94.92 O +ATOM 1694 N GLU A 212 -7.674 1.503 8.319 1.00 96.25 N +ATOM 1695 CA GLU A 212 -7.039 0.372 8.995 1.00 96.23 C +ATOM 1696 C GLU A 212 -6.067 0.815 10.095 1.00 96.24 C +ATOM 1697 O GLU A 212 -6.108 0.272 11.207 1.00 95.97 O +ATOM 1698 CB GLU A 212 -6.285 -0.516 7.991 1.00 96.00 C +ATOM 1699 CG GLU A 212 -7.188 -1.276 7.017 1.00 95.17 C +ATOM 1700 CD GLU A 212 -6.349 -2.153 6.096 1.00 94.82 C +ATOM 1701 OE1 GLU A 212 -6.191 -3.345 6.398 1.00 87.63 O +ATOM 1702 OE2 GLU A 212 -5.821 -1.648 5.103 1.00 87.06 O +ATOM 1703 N LEU A 213 -5.256 1.830 9.842 1.00 96.48 N +ATOM 1704 CA LEU A 213 -4.329 2.370 10.841 1.00 96.31 C +ATOM 1705 C LEU A 213 -5.090 2.901 12.057 1.00 96.37 C +ATOM 1706 O LEU A 213 -4.767 2.556 13.193 1.00 96.08 O +ATOM 1707 CB LEU A 213 -3.453 3.482 10.246 1.00 96.08 C +ATOM 1708 CG LEU A 213 -2.568 3.079 9.048 1.00 95.14 C +ATOM 1709 CD1 LEU A 213 -1.628 4.226 8.693 1.00 94.41 C +ATOM 1710 CD2 LEU A 213 -1.744 1.846 9.312 1.00 93.70 C +ATOM 1711 N LEU A 214 -6.113 3.693 11.826 1.00 96.24 N +ATOM 1712 CA LEU A 214 -6.885 4.316 12.897 1.00 96.13 C +ATOM 1713 C LEU A 214 -7.782 3.340 13.675 1.00 96.16 C +ATOM 1714 O LEU A 214 -8.203 3.662 14.778 1.00 95.72 O +ATOM 1715 CB LEU A 214 -7.685 5.490 12.321 1.00 95.74 C +ATOM 1716 CG LEU A 214 -6.950 6.848 12.268 1.00 94.30 C +ATOM 1717 CD1 LEU A 214 -5.664 6.807 11.451 1.00 93.12 C +ATOM 1718 CD2 LEU A 214 -6.637 7.369 13.656 1.00 91.68 C +ATOM 1719 N THR A 215 -8.022 2.163 13.134 1.00 95.57 N +ATOM 1720 CA THR A 215 -8.633 1.030 13.848 1.00 95.45 C +ATOM 1721 C THR A 215 -7.607 0.093 14.471 1.00 95.42 C +ATOM 1722 O THR A 215 -7.983 -0.947 15.019 1.00 95.14 O +ATOM 1723 CB THR A 215 -9.596 0.243 12.944 1.00 95.30 C +ATOM 1724 OG1 THR A 215 -8.934 -0.239 11.807 1.00 95.00 O +ATOM 1725 CG2 THR A 215 -10.783 1.091 12.497 1.00 94.95 C +ATOM 1726 N HIS A 216 -6.337 0.424 14.393 1.00 95.86 N +ATOM 1727 CA HIS A 216 -5.226 -0.442 14.799 1.00 95.67 C +ATOM 1728 C HIS A 216 -5.266 -1.830 14.148 1.00 95.71 C +ATOM 1729 O HIS A 216 -4.845 -2.818 14.748 1.00 95.22 O +ATOM 1730 CB HIS A 216 -5.133 -0.513 16.320 1.00 95.16 C +ATOM 1731 CG HIS A 216 -4.775 0.796 16.969 1.00 93.86 C +ATOM 1732 ND1 HIS A 216 -3.492 1.164 17.330 1.00 89.64 N1+ +ATOM 1733 CD2 HIS A 216 -5.609 1.820 17.318 1.00 86.53 C +ATOM 1734 CE1 HIS A 216 -3.552 2.383 17.892 1.00 86.61 C +ATOM 1735 NE2 HIS A 216 -4.830 2.822 17.901 1.00 88.73 N +ATOM 1736 N CYS A 217 -5.774 -1.926 12.936 1.00 95.41 N +ATOM 1737 CA CYS A 217 -6.012 -3.185 12.227 1.00 95.23 C +ATOM 1738 C CYS A 217 -6.816 -4.217 13.035 1.00 95.08 C +ATOM 1739 O CYS A 217 -6.611 -5.425 12.873 1.00 94.50 O +ATOM 1740 CB CYS A 217 -4.708 -3.748 11.673 1.00 94.91 C +ATOM 1741 SG CYS A 217 -3.922 -2.625 10.498 1.00 94.26 S +ATOM 1742 N ASP A 218 -7.723 -3.757 13.872 1.00 94.94 N +ATOM 1743 CA ASP A 218 -8.651 -4.646 14.566 1.00 94.82 C +ATOM 1744 C ASP A 218 -9.505 -5.413 13.551 1.00 94.95 C +ATOM 1745 O ASP A 218 -10.221 -4.836 12.744 1.00 94.44 O +ATOM 1746 CB ASP A 218 -9.519 -3.826 15.531 1.00 94.27 C +ATOM 1747 CG ASP A 218 -10.561 -4.649 16.300 1.00 92.65 C +ATOM 1748 OD1 ASP A 218 -10.709 -5.869 16.046 1.00 89.15 O +ATOM 1749 OD2 ASP A 218 -11.285 -4.036 17.108 1.00 87.20 O +ATOM 1750 N SER A 219 -9.405 -6.738 13.594 1.00 93.93 N +ATOM 1751 CA SER A 219 -10.113 -7.622 12.662 1.00 93.90 C +ATOM 1752 C SER A 219 -11.635 -7.468 12.707 1.00 94.14 C +ATOM 1753 O SER A 219 -12.291 -7.613 11.677 1.00 93.04 O +ATOM 1754 CB SER A 219 -9.714 -9.066 12.935 1.00 92.79 C +ATOM 1755 OG SER A 219 -10.065 -9.459 14.252 1.00 88.91 O +ATOM 1756 N SER A 220 -12.181 -7.119 13.860 1.00 94.59 N +ATOM 1757 CA SER A 220 -13.632 -6.857 14.011 1.00 94.40 C +ATOM 1758 C SER A 220 -14.075 -5.573 13.304 1.00 94.56 C +ATOM 1759 O SER A 220 -15.262 -5.418 12.995 1.00 93.90 O +ATOM 1760 CB SER A 220 -13.999 -6.811 15.485 1.00 93.65 C +ATOM 1761 OG SER A 220 -13.546 -5.639 16.125 1.00 90.74 O +ATOM 1762 N GLN A 221 -13.146 -4.675 13.047 1.00 94.24 N +ATOM 1763 CA GLN A 221 -13.373 -3.394 12.373 1.00 94.36 C +ATOM 1764 C GLN A 221 -12.769 -3.340 10.983 1.00 94.71 C +ATOM 1765 O GLN A 221 -12.826 -2.296 10.337 1.00 93.92 O +ATOM 1766 CB GLN A 221 -12.857 -2.253 13.264 1.00 93.55 C +ATOM 1767 CG GLN A 221 -13.540 -2.200 14.621 1.00 90.28 C +ATOM 1768 CD GLN A 221 -13.103 -0.960 15.413 1.00 88.19 C +ATOM 1769 OE1 GLN A 221 -13.326 0.166 15.008 1.00 81.10 O +ATOM 1770 NE2 GLN A 221 -12.490 -1.148 16.554 1.00 77.94 N +ATOM 1771 N SER A 222 -12.198 -4.428 10.488 1.00 94.88 N +ATOM 1772 CA SER A 222 -11.543 -4.463 9.185 1.00 94.90 C +ATOM 1773 C SER A 222 -12.483 -4.071 8.044 1.00 95.06 C +ATOM 1774 O SER A 222 -13.696 -4.288 8.159 1.00 94.70 O +ATOM 1775 CB SER A 222 -10.945 -5.851 8.933 1.00 94.40 C +ATOM 1776 OG SER A 222 -11.969 -6.804 8.680 1.00 92.83 O +ATOM 1777 N PRO A 223 -11.980 -3.540 6.931 1.00 95.09 N +ATOM 1778 CA PRO A 223 -12.814 -3.190 5.787 1.00 95.18 C +ATOM 1779 C PRO A 223 -13.714 -4.337 5.307 1.00 95.28 C +ATOM 1780 O PRO A 223 -14.927 -4.113 5.170 1.00 95.10 O +ATOM 1781 CB PRO A 223 -11.852 -2.689 4.706 1.00 95.04 C +ATOM 1782 CG PRO A 223 -10.670 -2.171 5.526 1.00 94.62 C +ATOM 1783 CD PRO A 223 -10.618 -3.107 6.726 1.00 95.36 C +ATOM 1784 N PRO A 224 -13.234 -5.580 5.154 1.00 94.33 N +ATOM 1785 CA PRO A 224 -14.108 -6.698 4.797 1.00 94.17 C +ATOM 1786 C PRO A 224 -15.242 -6.919 5.810 1.00 94.22 C +ATOM 1787 O PRO A 224 -16.388 -7.082 5.410 1.00 93.88 O +ATOM 1788 CB PRO A 224 -13.202 -7.927 4.713 1.00 93.78 C +ATOM 1789 CG PRO A 224 -11.832 -7.363 4.421 1.00 93.10 C +ATOM 1790 CD PRO A 224 -11.835 -6.038 5.161 1.00 94.08 C +ATOM 1791 N THR A 225 -14.917 -6.897 7.093 1.00 94.78 N +ATOM 1792 CA THR A 225 -15.910 -7.108 8.152 1.00 94.53 C +ATOM 1793 C THR A 225 -16.989 -6.038 8.101 1.00 94.76 C +ATOM 1794 O THR A 225 -18.185 -6.366 8.050 1.00 94.32 O +ATOM 1795 CB THR A 225 -15.252 -7.138 9.541 1.00 93.94 C +ATOM 1796 OG1 THR A 225 -14.297 -8.181 9.576 1.00 90.83 O +ATOM 1797 CG2 THR A 225 -16.228 -7.376 10.666 1.00 89.66 C +ATOM 1798 N LYS A 226 -16.610 -4.774 8.054 1.00 94.23 N +ATOM 1799 CA LYS A 226 -17.553 -3.651 8.041 1.00 94.15 C +ATOM 1800 C LYS A 226 -18.394 -3.586 6.774 1.00 94.30 C +ATOM 1801 O LYS A 226 -19.593 -3.360 6.857 1.00 93.72 O +ATOM 1802 CB LYS A 226 -16.787 -2.330 8.244 1.00 93.56 C +ATOM 1803 CG LYS A 226 -16.277 -2.182 9.696 1.00 90.99 C +ATOM 1804 CD LYS A 226 -17.448 -2.113 10.691 1.00 88.65 C +ATOM 1805 CE LYS A 226 -16.985 -2.119 12.127 1.00 85.24 C +ATOM 1806 NZ LYS A 226 -18.066 -2.694 13.009 1.00 80.83 N1+ +ATOM 1807 N PHE A 227 -17.806 -3.828 5.628 1.00 94.08 N +ATOM 1808 CA PHE A 227 -18.576 -3.872 4.389 1.00 94.16 C +ATOM 1809 C PHE A 227 -19.531 -5.077 4.333 1.00 94.11 C +ATOM 1810 O PHE A 227 -20.683 -4.903 3.922 1.00 93.96 O +ATOM 1811 CB PHE A 227 -17.659 -3.842 3.184 1.00 94.25 C +ATOM 1812 CG PHE A 227 -17.075 -2.477 2.858 1.00 94.58 C +ATOM 1813 CD1 PHE A 227 -17.928 -1.375 2.651 1.00 94.14 C +ATOM 1814 CD2 PHE A 227 -15.692 -2.310 2.705 1.00 94.20 C +ATOM 1815 CE1 PHE A 227 -17.407 -0.116 2.304 1.00 93.75 C +ATOM 1816 CE2 PHE A 227 -15.146 -1.064 2.340 1.00 93.76 C +ATOM 1817 CZ PHE A 227 -16.002 0.032 2.140 1.00 93.79 C +ATOM 1818 N LEU A 228 -19.129 -6.236 4.793 1.00 93.43 N +ATOM 1819 CA LEU A 228 -19.999 -7.402 4.840 1.00 93.43 C +ATOM 1820 C LEU A 228 -21.157 -7.219 5.833 1.00 93.35 C +ATOM 1821 O LEU A 228 -22.276 -7.653 5.532 1.00 92.90 O +ATOM 1822 CB LEU A 228 -19.194 -8.666 5.156 1.00 93.26 C +ATOM 1823 CG LEU A 228 -18.312 -9.159 3.995 1.00 92.33 C +ATOM 1824 CD1 LEU A 228 -17.422 -10.310 4.483 1.00 91.28 C +ATOM 1825 CD2 LEU A 228 -19.172 -9.703 2.824 1.00 90.55 C +ATOM 1826 N GLU A 229 -20.951 -6.515 6.937 1.00 93.15 N +ATOM 1827 CA GLU A 229 -22.059 -6.122 7.836 1.00 92.88 C +ATOM 1828 C GLU A 229 -23.077 -5.236 7.113 1.00 92.93 C +ATOM 1829 O GLU A 229 -24.273 -5.391 7.336 1.00 91.98 O +ATOM 1830 CB GLU A 229 -21.488 -5.359 9.050 1.00 92.08 C +ATOM 1831 CG GLU A 229 -20.809 -6.255 10.098 1.00 88.39 C +ATOM 1832 CD GLU A 229 -20.019 -5.474 11.183 1.00 87.10 C +ATOM 1833 OE1 GLU A 229 -19.235 -6.096 11.923 1.00 79.71 O +ATOM 1834 OE2 GLU A 229 -20.152 -4.231 11.289 1.00 76.37 O +ATOM 1835 N LEU A 230 -22.616 -4.358 6.237 1.00 90.99 N +ATOM 1836 CA LEU A 230 -23.483 -3.432 5.499 1.00 90.80 C +ATOM 1837 C LEU A 230 -24.212 -4.069 4.304 1.00 90.94 C +ATOM 1838 O LEU A 230 -25.358 -3.694 4.009 1.00 89.85 O +ATOM 1839 CB LEU A 230 -22.649 -2.239 5.037 1.00 89.90 C +ATOM 1840 CG LEU A 230 -22.137 -1.307 6.150 1.00 87.16 C +ATOM 1841 CD1 LEU A 230 -21.166 -0.279 5.550 1.00 85.50 C +ATOM 1842 CD2 LEU A 230 -23.262 -0.544 6.803 1.00 85.01 C +ATOM 1843 N ILE A 231 -23.570 -5.005 3.618 1.00 90.59 N +ATOM 1844 CA ILE A 231 -24.166 -5.624 2.409 1.00 90.21 C +ATOM 1845 C ILE A 231 -24.821 -6.978 2.683 1.00 89.85 C +ATOM 1846 O ILE A 231 -25.514 -7.520 1.818 1.00 87.94 O +ATOM 1847 CB ILE A 231 -23.129 -5.728 1.263 1.00 89.49 C +ATOM 1848 CG1 ILE A 231 -22.020 -6.753 1.561 1.00 88.51 C +ATOM 1849 CG2 ILE A 231 -22.557 -4.342 0.947 1.00 88.00 C +ATOM 1850 CD1 ILE A 231 -20.964 -6.894 0.454 1.00 83.67 C +ATOM 1851 N GLY A 232 -24.601 -7.533 3.853 1.00 84.47 N +ATOM 1852 CA GLY A 232 -24.992 -8.896 4.207 1.00 83.91 C +ATOM 1853 C GLY A 232 -24.046 -9.944 3.638 1.00 84.49 C +ATOM 1854 O GLY A 232 -23.197 -9.662 2.779 1.00 82.01 O +ATOM 1855 N ILE A 233 -24.199 -11.163 4.085 1.00 77.98 N +ATOM 1856 CA ILE A 233 -23.383 -12.278 3.624 1.00 77.28 C +ATOM 1857 C ILE A 233 -23.592 -12.488 2.108 1.00 78.03 C +ATOM 1858 O ILE A 233 -24.701 -12.761 1.644 1.00 74.42 O +ATOM 1859 CB ILE A 233 -23.691 -13.575 4.409 1.00 73.36 C +ATOM 1860 CG1 ILE A 233 -23.409 -13.341 5.917 1.00 70.79 C +ATOM 1861 CG2 ILE A 233 -22.830 -14.745 3.879 1.00 69.35 C +ATOM 1862 CD1 ILE A 233 -23.798 -14.555 6.802 1.00 65.08 C +ATOM 1863 N ALA A 234 -22.543 -12.361 1.364 1.00 72.77 N +ATOM 1864 CA ALA A 234 -22.511 -12.572 -0.069 1.00 71.07 C +ATOM 1865 C ALA A 234 -21.174 -13.212 -0.472 1.00 72.45 C +ATOM 1866 O ALA A 234 -20.202 -13.155 0.244 1.00 68.51 O +ATOM 1867 CB ALA A 234 -22.747 -11.236 -0.755 1.00 65.50 C +ATOM 1868 N GLN A 235 -21.170 -13.828 -1.630 1.00 70.30 N +ATOM 1869 CA GLN A 235 -20.005 -14.528 -2.137 1.00 70.28 C +ATOM 1870 C GLN A 235 -19.736 -14.133 -3.592 1.00 70.89 C +ATOM 1871 O GLN A 235 -20.698 -13.858 -4.359 1.00 66.15 O +ATOM 1872 CB GLN A 235 -20.190 -16.045 -2.009 1.00 65.02 C +ATOM 1873 CG GLN A 235 -20.262 -16.529 -0.560 1.00 60.23 C +ATOM 1874 CD GLN A 235 -18.971 -17.176 -0.032 1.00 55.54 C +ATOM 1875 OE1 GLN A 235 -18.154 -17.659 -0.782 1.00 46.86 O +ATOM 1876 NE2 GLN A 235 -18.766 -17.191 1.256 1.00 47.94 N +ATOM 1877 N GLY A 236 -18.482 -14.136 -3.984 1.00 74.84 N +ATOM 1878 CA GLY A 236 -18.057 -13.934 -5.363 1.00 75.29 C +ATOM 1879 C GLY A 236 -18.591 -12.647 -5.986 1.00 77.81 C +ATOM 1880 O GLY A 236 -18.511 -11.572 -5.369 1.00 74.70 O +ATOM 1881 N GLN A 237 -19.142 -12.727 -7.161 1.00 83.45 N +ATOM 1882 CA GLN A 237 -19.637 -11.565 -7.900 1.00 84.04 C +ATOM 1883 C GLN A 237 -20.757 -10.822 -7.167 1.00 85.28 C +ATOM 1884 O GLN A 237 -20.860 -9.610 -7.309 1.00 82.79 O +ATOM 1885 CB GLN A 237 -20.138 -12.015 -9.271 1.00 80.25 C +ATOM 1886 CG GLN A 237 -19.002 -12.461 -10.202 1.00 73.03 C +ATOM 1887 CD GLN A 237 -19.519 -12.777 -11.617 1.00 68.90 C +ATOM 1888 OE1 GLN A 237 -20.703 -12.876 -11.869 1.00 59.77 O +ATOM 1889 NE2 GLN A 237 -18.649 -12.925 -12.568 1.00 57.94 N +ATOM 1890 N MET A 238 -21.544 -11.501 -6.380 1.00 88.58 N +ATOM 1891 CA MET A 238 -22.608 -10.868 -5.611 1.00 89.44 C +ATOM 1892 C MET A 238 -22.065 -9.901 -4.569 1.00 90.26 C +ATOM 1893 O MET A 238 -22.670 -8.865 -4.337 1.00 88.77 O +ATOM 1894 CB MET A 238 -23.490 -11.936 -4.975 1.00 87.85 C +ATOM 1895 CG MET A 238 -24.854 -11.370 -4.537 1.00 81.91 C +ATOM 1896 SD MET A 238 -25.840 -10.756 -5.903 1.00 78.66 S +ATOM 1897 CE MET A 238 -27.333 -10.313 -5.006 1.00 70.07 C +ATOM 1898 N THR A 239 -20.915 -10.188 -3.981 1.00 91.33 N +ATOM 1899 CA THR A 239 -20.236 -9.284 -3.073 1.00 91.76 C +ATOM 1900 C THR A 239 -19.814 -8.023 -3.801 1.00 92.19 C +ATOM 1901 O THR A 239 -20.085 -6.928 -3.320 1.00 91.60 O +ATOM 1902 CB THR A 239 -19.004 -9.949 -2.445 1.00 91.21 C +ATOM 1903 OG1 THR A 239 -19.398 -11.111 -1.760 1.00 89.97 O +ATOM 1904 CG2 THR A 239 -18.266 -9.060 -1.446 1.00 89.70 C +ATOM 1905 N VAL A 240 -19.205 -8.148 -4.970 1.00 93.19 N +ATOM 1906 CA VAL A 240 -18.767 -7.006 -5.771 1.00 93.21 C +ATOM 1907 C VAL A 240 -19.958 -6.149 -6.210 1.00 93.43 C +ATOM 1908 O VAL A 240 -19.882 -4.925 -6.084 1.00 93.03 O +ATOM 1909 CB VAL A 240 -17.974 -7.482 -6.997 1.00 92.66 C +ATOM 1910 CG1 VAL A 240 -16.713 -8.236 -6.553 1.00 91.01 C +ATOM 1911 CG2 VAL A 240 -17.501 -6.298 -7.848 1.00 90.55 C +ATOM 1912 N LEU A 241 -21.052 -6.762 -6.637 1.00 93.07 N +ATOM 1913 CA LEU A 241 -22.273 -6.045 -7.037 1.00 93.08 C +ATOM 1914 C LEU A 241 -22.830 -5.223 -5.874 1.00 93.47 C +ATOM 1915 O LEU A 241 -22.988 -4.020 -6.009 1.00 92.76 O +ATOM 1916 CB LEU A 241 -23.296 -7.065 -7.552 1.00 92.06 C +ATOM 1917 CG LEU A 241 -24.574 -6.424 -8.091 1.00 86.06 C +ATOM 1918 CD1 LEU A 241 -25.647 -7.478 -8.291 1.00 82.64 C +ATOM 1919 CD2 LEU A 241 -24.323 -5.722 -9.416 1.00 79.59 C +ATOM 1920 N ARG A 242 -23.037 -5.838 -4.751 1.00 92.64 N +ATOM 1921 CA ARG A 242 -23.571 -5.164 -3.550 1.00 92.60 C +ATOM 1922 C ARG A 242 -22.648 -4.104 -3.004 1.00 93.19 C +ATOM 1923 O ARG A 242 -23.117 -3.053 -2.572 1.00 92.87 O +ATOM 1924 CB ARG A 242 -23.869 -6.183 -2.466 1.00 91.91 C +ATOM 1925 CG ARG A 242 -25.079 -7.070 -2.807 1.00 87.91 C +ATOM 1926 CD ARG A 242 -25.303 -8.015 -1.624 1.00 85.76 C +ATOM 1927 NE ARG A 242 -26.442 -8.931 -1.840 1.00 80.37 N +ATOM 1928 CZ ARG A 242 -26.926 -9.756 -0.937 1.00 75.86 C +ATOM 1929 NH1 ARG A 242 -26.439 -9.811 0.284 1.00 72.04 N +ATOM 1930 NH2 ARG A 242 -27.916 -10.534 -1.234 1.00 72.02 N1+ +ATOM 1931 N LEU A 243 -21.362 -4.343 -3.025 1.00 94.52 N +ATOM 1932 CA LEU A 243 -20.354 -3.349 -2.620 1.00 94.47 C +ATOM 1933 C LEU A 243 -20.410 -2.138 -3.559 1.00 94.44 C +ATOM 1934 O LEU A 243 -20.429 -1.004 -3.074 1.00 94.35 O +ATOM 1935 CB LEU A 243 -18.976 -4.007 -2.615 1.00 94.53 C +ATOM 1936 CG LEU A 243 -17.820 -3.061 -2.238 1.00 94.19 C +ATOM 1937 CD1 LEU A 243 -16.507 -3.842 -2.268 1.00 93.67 C +ATOM 1938 CD2 LEU A 243 -17.986 -2.452 -0.851 1.00 93.45 C +ATOM 1939 N THR A 244 -20.477 -2.343 -4.848 1.00 94.33 N +ATOM 1940 CA THR A 244 -20.622 -1.263 -5.848 1.00 94.29 C +ATOM 1941 C THR A 244 -21.881 -0.447 -5.590 1.00 94.24 C +ATOM 1942 O THR A 244 -21.791 0.772 -5.471 1.00 93.75 O +ATOM 1943 CB THR A 244 -20.618 -1.824 -7.270 1.00 93.98 C +ATOM 1944 OG1 THR A 244 -19.454 -2.567 -7.499 1.00 92.88 O +ATOM 1945 CG2 THR A 244 -20.666 -0.719 -8.325 1.00 92.29 C +ATOM 1946 N GLU A 245 -23.015 -1.085 -5.427 1.00 94.34 N +ATOM 1947 CA GLU A 245 -24.275 -0.411 -5.110 1.00 93.98 C +ATOM 1948 C GLU A 245 -24.229 0.375 -3.804 1.00 93.96 C +ATOM 1949 O GLU A 245 -24.781 1.479 -3.709 1.00 93.12 O +ATOM 1950 CB GLU A 245 -25.394 -1.465 -4.986 1.00 93.17 C +ATOM 1951 CG GLU A 245 -25.807 -2.094 -6.318 1.00 88.08 C +ATOM 1952 CD GLU A 245 -26.775 -3.273 -6.147 1.00 85.60 C +ATOM 1953 OE1 GLU A 245 -27.109 -3.904 -7.179 1.00 76.95 O +ATOM 1954 OE2 GLU A 245 -27.173 -3.562 -4.994 1.00 75.26 O +ATOM 1955 N LEU A 246 -23.570 -0.152 -2.798 1.00 94.65 N +ATOM 1956 CA LEU A 246 -23.383 0.524 -1.505 1.00 94.54 C +ATOM 1957 C LEU A 246 -22.543 1.793 -1.668 1.00 94.62 C +ATOM 1958 O LEU A 246 -22.935 2.852 -1.163 1.00 94.02 O +ATOM 1959 CB LEU A 246 -22.778 -0.489 -0.525 1.00 93.89 C +ATOM 1960 CG LEU A 246 -22.537 0.062 0.891 1.00 91.34 C +ATOM 1961 CD1 LEU A 246 -21.121 0.588 1.083 1.00 89.14 C +ATOM 1962 CD2 LEU A 246 -22.759 -1.027 1.925 1.00 87.48 C +ATOM 1963 N LEU A 247 -21.435 1.704 -2.395 1.00 94.76 N +ATOM 1964 CA LEU A 247 -20.567 2.854 -2.643 1.00 94.73 C +ATOM 1965 C LEU A 247 -21.253 3.906 -3.524 1.00 94.49 C +ATOM 1966 O LEU A 247 -21.108 5.101 -3.239 1.00 94.13 O +ATOM 1967 CB LEU A 247 -19.265 2.379 -3.274 1.00 94.93 C +ATOM 1968 CG LEU A 247 -18.372 1.501 -2.360 1.00 95.06 C +ATOM 1969 CD1 LEU A 247 -17.127 1.067 -3.133 1.00 94.65 C +ATOM 1970 CD2 LEU A 247 -17.923 2.228 -1.088 1.00 94.58 C +ATOM 1971 N GLU A 248 -22.039 3.505 -4.506 1.00 94.43 N +ATOM 1972 CA GLU A 248 -22.829 4.414 -5.359 1.00 94.13 C +ATOM 1973 C GLU A 248 -23.909 5.159 -4.577 1.00 93.90 C +ATOM 1974 O GLU A 248 -24.189 6.311 -4.868 1.00 92.59 O +ATOM 1975 CB GLU A 248 -23.442 3.643 -6.527 1.00 93.23 C +ATOM 1976 CG GLU A 248 -22.394 3.322 -7.606 1.00 88.50 C +ATOM 1977 CD GLU A 248 -22.940 2.616 -8.858 1.00 85.69 C +ATOM 1978 OE1 GLU A 248 -22.178 2.584 -9.872 1.00 74.12 O +ATOM 1979 OE2 GLU A 248 -24.085 2.116 -8.873 1.00 72.17 O +ATOM 1980 N ARG A 249 -24.477 4.572 -3.543 1.00 94.82 N +ATOM 1981 CA ARG A 249 -25.374 5.267 -2.616 1.00 94.35 C +ATOM 1982 C ARG A 249 -24.650 6.247 -1.686 1.00 94.25 C +ATOM 1983 O ARG A 249 -25.310 6.911 -0.876 1.00 93.32 O +ATOM 1984 CB ARG A 249 -26.181 4.255 -1.787 1.00 93.55 C +ATOM 1985 CG ARG A 249 -27.210 3.497 -2.620 1.00 89.86 C +ATOM 1986 CD ARG A 249 -28.125 2.668 -1.730 1.00 87.26 C +ATOM 1987 NE ARG A 249 -27.452 1.746 -0.833 1.00 83.08 N +ATOM 1988 CZ ARG A 249 -27.158 0.466 -1.044 1.00 80.15 C +ATOM 1989 NH1 ARG A 249 -27.440 -0.135 -2.177 1.00 76.25 N +ATOM 1990 NH2 ARG A 249 -26.568 -0.231 -0.126 1.00 76.68 N1+ +ATOM 1991 N GLY A 250 -23.355 6.349 -1.756 1.00 94.47 N +ATOM 1992 CA GLY A 250 -22.543 7.242 -0.920 1.00 94.37 C +ATOM 1993 C GLY A 250 -22.196 6.674 0.460 1.00 94.65 C +ATOM 1994 O GLY A 250 -21.607 7.410 1.270 1.00 94.09 O +ATOM 1995 N GLU A 251 -22.508 5.428 0.749 1.00 94.79 N +ATOM 1996 CA GLU A 251 -22.091 4.778 1.992 1.00 94.70 C +ATOM 1997 C GLU A 251 -20.581 4.542 2.024 1.00 94.99 C +ATOM 1998 O GLU A 251 -19.964 4.278 1.013 1.00 94.50 O +ATOM 1999 CB GLU A 251 -22.868 3.473 2.223 1.00 94.01 C +ATOM 2000 CG GLU A 251 -24.361 3.727 2.472 1.00 90.83 C +ATOM 2001 CD GLU A 251 -25.135 2.439 2.824 1.00 88.63 C +ATOM 2002 OE1 GLU A 251 -26.100 2.087 2.095 1.00 78.63 O +ATOM 2003 OE2 GLU A 251 -24.736 1.769 3.788 1.00 76.03 O +ATOM 2004 N ARG A 252 -20.005 4.683 3.196 1.00 94.16 N +ATOM 2005 CA ARG A 252 -18.559 4.545 3.422 1.00 94.28 C +ATOM 2006 C ARG A 252 -18.287 3.821 4.730 1.00 94.22 C +ATOM 2007 O ARG A 252 -19.171 3.658 5.561 1.00 93.80 O +ATOM 2008 CB ARG A 252 -17.909 5.943 3.452 1.00 94.28 C +ATOM 2009 CG ARG A 252 -18.028 6.735 2.142 1.00 94.33 C +ATOM 2010 CD ARG A 252 -17.291 6.054 0.981 1.00 94.20 C +ATOM 2011 NE ARG A 252 -17.336 6.848 -0.245 1.00 93.93 N +ATOM 2012 CZ ARG A 252 -18.232 6.755 -1.234 1.00 93.78 C +ATOM 2013 NH1 ARG A 252 -19.247 5.925 -1.175 1.00 93.34 N +ATOM 2014 NH2 ARG A 252 -18.114 7.503 -2.280 1.00 93.34 N1+ +ATOM 2015 N LEU A 253 -17.041 3.423 4.921 1.00 95.06 N +ATOM 2016 CA LEU A 253 -16.555 2.924 6.209 1.00 95.10 C +ATOM 2017 C LEU A 253 -16.838 3.969 7.306 1.00 95.07 C +ATOM 2018 O LEU A 253 -16.682 5.166 7.050 1.00 94.79 O +ATOM 2019 CB LEU A 253 -15.061 2.607 6.132 1.00 95.07 C +ATOM 2020 CG LEU A 253 -14.707 1.372 5.289 1.00 94.84 C +ATOM 2021 CD1 LEU A 253 -13.191 1.291 5.102 1.00 94.42 C +ATOM 2022 CD2 LEU A 253 -15.162 0.073 5.963 1.00 94.27 C +ATOM 2023 N PRO A 254 -17.243 3.554 8.514 1.00 95.68 N +ATOM 2024 CA PRO A 254 -17.560 4.477 9.609 1.00 95.51 C +ATOM 2025 C PRO A 254 -16.290 5.144 10.142 1.00 95.64 C +ATOM 2026 O PRO A 254 -15.179 4.661 9.945 1.00 95.25 O +ATOM 2027 CB PRO A 254 -18.225 3.601 10.681 1.00 95.06 C +ATOM 2028 CG PRO A 254 -17.560 2.241 10.483 1.00 94.11 C +ATOM 2029 CD PRO A 254 -17.378 2.171 8.966 1.00 94.73 C +ATOM 2030 N ARG A 255 -16.460 6.233 10.854 1.00 95.22 N +ATOM 2031 CA ARG A 255 -15.345 6.872 11.564 1.00 95.09 C +ATOM 2032 C ARG A 255 -14.825 5.922 12.665 1.00 94.96 C +ATOM 2033 O ARG A 255 -15.607 5.514 13.498 1.00 94.57 O +ATOM 2034 CB ARG A 255 -15.821 8.204 12.137 1.00 94.73 C +ATOM 2035 CG ARG A 255 -14.725 8.935 12.926 1.00 93.49 C +ATOM 2036 CD ARG A 255 -15.226 10.283 13.402 1.00 92.13 C +ATOM 2037 NE ARG A 255 -14.320 10.889 14.367 1.00 89.99 N +ATOM 2038 CZ ARG A 255 -14.524 11.952 15.110 1.00 88.60 C +ATOM 2039 NH1 ARG A 255 -15.630 12.621 15.001 1.00 86.75 N +ATOM 2040 NH2 ARG A 255 -13.641 12.358 15.964 1.00 87.41 N1+ +ATOM 2041 N PRO A 256 -13.518 5.577 12.674 1.00 94.69 N +ATOM 2042 CA PRO A 256 -12.936 4.802 13.760 1.00 94.66 C +ATOM 2043 C PRO A 256 -13.040 5.505 15.105 1.00 94.70 C +ATOM 2044 O PRO A 256 -13.006 6.736 15.186 1.00 94.27 O +ATOM 2045 CB PRO A 256 -11.476 4.580 13.362 1.00 94.49 C +ATOM 2046 CG PRO A 256 -11.480 4.733 11.842 1.00 93.99 C +ATOM 2047 CD PRO A 256 -12.550 5.809 11.636 1.00 94.81 C +ATOM 2048 N ASP A 257 -13.092 4.721 16.166 1.00 93.12 N +ATOM 2049 CA ASP A 257 -13.009 5.270 17.520 1.00 92.76 C +ATOM 2050 C ASP A 257 -11.704 6.050 17.701 1.00 92.98 C +ATOM 2051 O ASP A 257 -10.639 5.644 17.244 1.00 91.93 O +ATOM 2052 CB ASP A 257 -13.093 4.152 18.566 1.00 91.29 C +ATOM 2053 CG ASP A 257 -14.517 3.678 18.841 1.00 84.60 C +ATOM 2054 OD1 ASP A 257 -15.478 4.382 18.447 1.00 77.72 O +ATOM 2055 OD2 ASP A 257 -14.630 2.634 19.553 1.00 76.63 O +ATOM 2056 N LYS A 258 -11.769 7.152 18.388 1.00 91.64 N +ATOM 2057 CA LYS A 258 -10.642 8.074 18.616 1.00 91.39 C +ATOM 2058 C LYS A 258 -10.029 8.685 17.350 1.00 91.93 C +ATOM 2059 O LYS A 258 -9.090 9.467 17.474 1.00 90.51 O +ATOM 2060 CB LYS A 258 -9.574 7.416 19.505 1.00 89.66 C +ATOM 2061 CG LYS A 258 -10.120 6.761 20.772 1.00 83.18 C +ATOM 2062 CD LYS A 258 -9.001 5.971 21.477 1.00 77.66 C +ATOM 2063 CE LYS A 258 -9.586 5.232 22.672 1.00 70.73 C +ATOM 2064 NZ LYS A 258 -8.559 4.349 23.289 1.00 63.60 N1+ +ATOM 2065 N CYS A 259 -10.523 8.388 16.165 1.00 94.58 N +ATOM 2066 CA CYS A 259 -10.110 9.093 14.963 1.00 94.70 C +ATOM 2067 C CYS A 259 -10.604 10.550 15.030 1.00 94.82 C +ATOM 2068 O CYS A 259 -11.800 10.769 15.118 1.00 94.41 O +ATOM 2069 CB CYS A 259 -10.675 8.379 13.738 1.00 94.41 C +ATOM 2070 SG CYS A 259 -10.212 9.213 12.213 1.00 93.66 S +ATOM 2071 N PRO A 260 -9.721 11.556 14.942 1.00 94.99 N +ATOM 2072 CA PRO A 260 -10.134 12.954 14.864 1.00 94.86 C +ATOM 2073 C PRO A 260 -11.038 13.211 13.661 1.00 95.04 C +ATOM 2074 O PRO A 260 -10.898 12.604 12.618 1.00 94.63 O +ATOM 2075 CB PRO A 260 -8.830 13.765 14.765 1.00 94.31 C +ATOM 2076 CG PRO A 260 -7.787 12.840 15.395 1.00 93.05 C +ATOM 2077 CD PRO A 260 -8.271 11.464 14.988 1.00 93.77 C +ATOM 2078 N ALA A 261 -11.951 14.140 13.808 1.00 95.45 N +ATOM 2079 CA ALA A 261 -12.907 14.471 12.761 1.00 95.36 C +ATOM 2080 C ALA A 261 -12.211 14.928 11.480 1.00 95.52 C +ATOM 2081 O ALA A 261 -12.629 14.546 10.396 1.00 95.17 O +ATOM 2082 CB ALA A 261 -13.877 15.537 13.297 1.00 94.85 C +ATOM 2083 N GLU A 262 -11.133 15.700 11.594 1.00 95.15 N +ATOM 2084 CA GLU A 262 -10.343 16.174 10.458 1.00 94.94 C +ATOM 2085 C GLU A 262 -9.669 15.026 9.709 1.00 95.31 C +ATOM 2086 O GLU A 262 -9.657 15.016 8.487 1.00 94.68 O +ATOM 2087 CB GLU A 262 -9.351 17.244 10.941 1.00 94.04 C +ATOM 2088 CG GLU A 262 -8.272 16.726 11.880 1.00 87.07 C +ATOM 2089 CD GLU A 262 -7.477 17.843 12.595 1.00 83.86 C +ATOM 2090 OE1 GLU A 262 -6.964 17.564 13.702 1.00 71.68 O +ATOM 2091 OE2 GLU A 262 -7.388 18.980 12.108 1.00 68.57 O +ATOM 2092 N VAL A 263 -9.193 14.012 10.415 1.00 95.83 N +ATOM 2093 CA VAL A 263 -8.588 12.826 9.808 1.00 95.90 C +ATOM 2094 C VAL A 263 -9.647 11.970 9.122 1.00 96.00 C +ATOM 2095 O VAL A 263 -9.412 11.488 8.012 1.00 95.88 O +ATOM 2096 CB VAL A 263 -7.809 12.001 10.847 1.00 95.76 C +ATOM 2097 CG1 VAL A 263 -6.715 12.816 11.520 1.00 95.28 C +ATOM 2098 CG2 VAL A 263 -7.141 10.777 10.214 1.00 95.25 C +ATOM 2099 N TYR A 264 -10.817 11.841 9.694 1.00 96.10 N +ATOM 2100 CA TYR A 264 -11.918 11.156 9.020 1.00 96.06 C +ATOM 2101 C TYR A 264 -12.393 11.908 7.769 1.00 96.00 C +ATOM 2102 O TYR A 264 -12.711 11.287 6.755 1.00 95.71 O +ATOM 2103 CB TYR A 264 -13.060 10.927 10.002 1.00 96.01 C +ATOM 2104 CG TYR A 264 -14.164 10.089 9.387 1.00 95.94 C +ATOM 2105 CD1 TYR A 264 -13.906 8.773 8.945 1.00 95.57 C +ATOM 2106 CD2 TYR A 264 -15.464 10.602 9.257 1.00 95.39 C +ATOM 2107 CE1 TYR A 264 -14.926 7.996 8.379 1.00 94.97 C +ATOM 2108 CE2 TYR A 264 -16.496 9.818 8.702 1.00 95.01 C +ATOM 2109 CZ TYR A 264 -16.229 8.520 8.270 1.00 95.06 C +ATOM 2110 OH TYR A 264 -17.217 7.755 7.721 1.00 94.57 O +ATOM 2111 N HIS A 265 -12.400 13.254 7.811 1.00 95.55 N +ATOM 2112 CA HIS A 265 -12.672 14.051 6.623 1.00 95.28 C +ATOM 2113 C HIS A 265 -11.651 13.769 5.516 1.00 95.52 C +ATOM 2114 O HIS A 265 -12.044 13.628 4.371 1.00 95.05 O +ATOM 2115 CB HIS A 265 -12.687 15.532 7.006 1.00 94.66 C +ATOM 2116 CG HIS A 265 -14.007 16.184 6.702 1.00 91.90 C +ATOM 2117 ND1 HIS A 265 -15.061 16.315 7.577 1.00 85.52 N1+ +ATOM 2118 CD2 HIS A 265 -14.384 16.755 5.500 1.00 82.58 C +ATOM 2119 CE1 HIS A 265 -16.066 16.947 6.952 1.00 79.81 C +ATOM 2120 NE2 HIS A 265 -15.685 17.215 5.684 1.00 80.64 N +ATOM 2121 N LEU A 266 -10.392 13.620 5.871 1.00 95.93 N +ATOM 2122 CA LEU A 266 -9.330 13.280 4.935 1.00 95.85 C +ATOM 2123 C LEU A 266 -9.570 11.897 4.315 1.00 96.13 C +ATOM 2124 O LEU A 266 -9.440 11.747 3.101 1.00 95.82 O +ATOM 2125 CB LEU A 266 -7.992 13.349 5.675 1.00 95.29 C +ATOM 2126 CG LEU A 266 -6.785 13.284 4.743 1.00 92.42 C +ATOM 2127 CD1 LEU A 266 -5.519 13.081 5.566 1.00 89.82 C +ATOM 2128 CD2 LEU A 266 -6.635 14.570 3.942 1.00 86.39 C +ATOM 2129 N MET A 267 -9.986 10.904 5.094 1.00 96.06 N +ATOM 2130 CA MET A 267 -10.378 9.598 4.549 1.00 95.92 C +ATOM 2131 C MET A 267 -11.526 9.744 3.543 1.00 95.93 C +ATOM 2132 O MET A 267 -11.463 9.169 2.466 1.00 95.53 O +ATOM 2133 CB MET A 267 -10.846 8.639 5.657 1.00 95.59 C +ATOM 2134 CG MET A 267 -9.781 8.280 6.684 1.00 93.84 C +ATOM 2135 SD MET A 267 -10.442 7.177 7.954 1.00 92.48 S +ATOM 2136 CE MET A 267 -9.158 7.332 9.195 1.00 88.67 C +ATOM 2137 N LYS A 268 -12.545 10.514 3.887 1.00 96.01 N +ATOM 2138 CA LYS A 268 -13.688 10.740 2.989 1.00 95.83 C +ATOM 2139 C LYS A 268 -13.297 11.423 1.700 1.00 95.94 C +ATOM 2140 O LYS A 268 -13.811 11.042 0.652 1.00 95.44 O +ATOM 2141 CB LYS A 268 -14.782 11.533 3.699 1.00 95.35 C +ATOM 2142 CG LYS A 268 -15.501 10.687 4.770 1.00 93.37 C +ATOM 2143 CD LYS A 268 -16.695 11.423 5.398 1.00 91.07 C +ATOM 2144 CE LYS A 268 -17.853 11.510 4.391 1.00 87.05 C +ATOM 2145 NZ LYS A 268 -19.055 12.111 5.013 1.00 82.12 N1+ +ATOM 2146 N ASN A 269 -12.355 12.345 1.734 1.00 96.11 N +ATOM 2147 CA ASN A 269 -11.838 12.984 0.527 1.00 95.96 C +ATOM 2148 C ASN A 269 -11.127 11.977 -0.379 1.00 96.15 C +ATOM 2149 O ASN A 269 -11.245 12.051 -1.597 1.00 95.85 O +ATOM 2150 CB ASN A 269 -10.892 14.139 0.918 1.00 95.57 C +ATOM 2151 CG ASN A 269 -11.569 15.294 1.618 1.00 93.95 C +ATOM 2152 OD1 ASN A 269 -12.786 15.428 1.638 1.00 90.02 O +ATOM 2153 ND2 ASN A 269 -10.789 16.197 2.183 1.00 85.17 N +ATOM 2154 N CYS A 270 -10.430 10.994 0.213 1.00 96.18 N +ATOM 2155 CA CYS A 270 -9.852 9.880 -0.540 1.00 96.19 C +ATOM 2156 C CYS A 270 -10.927 8.940 -1.126 1.00 96.15 C +ATOM 2157 O CYS A 270 -10.621 8.178 -2.044 1.00 95.90 O +ATOM 2158 CB CYS A 270 -8.895 9.093 0.359 1.00 96.25 C +ATOM 2159 SG CYS A 270 -7.513 10.093 0.954 1.00 96.31 S +ATOM 2160 N TRP A 271 -12.141 8.992 -0.621 1.00 95.92 N +ATOM 2161 CA TRP A 271 -13.288 8.173 -1.050 1.00 95.89 C +ATOM 2162 C TRP A 271 -14.348 8.958 -1.830 1.00 95.71 C +ATOM 2163 O TRP A 271 -15.496 8.560 -1.864 1.00 95.32 O +ATOM 2164 CB TRP A 271 -13.903 7.478 0.159 1.00 95.95 C +ATOM 2165 CG TRP A 271 -12.982 6.616 0.965 1.00 96.21 C +ATOM 2166 CD1 TRP A 271 -11.909 5.928 0.521 1.00 95.97 C +ATOM 2167 CD2 TRP A 271 -13.096 6.365 2.405 1.00 96.11 C +ATOM 2168 NE1 TRP A 271 -11.330 5.250 1.603 1.00 95.74 N +ATOM 2169 CE2 TRP A 271 -12.041 5.486 2.760 1.00 95.91 C +ATOM 2170 CE3 TRP A 271 -13.980 6.770 3.416 1.00 95.94 C +ATOM 2171 CZ2 TRP A 271 -11.868 5.024 4.095 1.00 95.70 C +ATOM 2172 CZ3 TRP A 271 -13.799 6.306 4.738 1.00 95.65 C +ATOM 2173 CH2 TRP A 271 -12.761 5.443 5.075 1.00 95.50 C +ATOM 2174 N GLU A 272 -13.948 10.049 -2.431 1.00 96.34 N +ATOM 2175 CA GLU A 272 -14.807 10.719 -3.413 1.00 96.15 C +ATOM 2176 C GLU A 272 -15.187 9.770 -4.556 1.00 96.16 C +ATOM 2177 O GLU A 272 -14.333 9.033 -5.073 1.00 95.62 O +ATOM 2178 CB GLU A 272 -14.119 11.970 -3.966 1.00 95.63 C +ATOM 2179 CG GLU A 272 -14.112 13.135 -2.965 1.00 93.53 C +ATOM 2180 CD GLU A 272 -15.497 13.684 -2.645 1.00 91.55 C +ATOM 2181 OE1 GLU A 272 -15.661 14.355 -1.605 1.00 79.78 O +ATOM 2182 OE2 GLU A 272 -16.440 13.459 -3.448 1.00 78.07 O +ATOM 2183 N THR A 273 -16.442 9.776 -4.942 1.00 95.12 N +ATOM 2184 CA THR A 273 -16.930 8.892 -6.009 1.00 95.00 C +ATOM 2185 C THR A 273 -16.248 9.198 -7.332 1.00 95.00 C +ATOM 2186 O THR A 273 -15.762 8.304 -8.004 1.00 94.44 O +ATOM 2187 CB THR A 273 -18.447 8.992 -6.142 1.00 94.45 C +ATOM 2188 OG1 THR A 273 -19.047 8.653 -4.922 1.00 92.55 O +ATOM 2189 CG2 THR A 273 -19.024 8.059 -7.209 1.00 91.43 C +ATOM 2190 N GLU A 274 -16.216 10.469 -7.679 1.00 95.03 N +ATOM 2191 CA GLU A 274 -15.444 10.939 -8.813 1.00 94.81 C +ATOM 2192 C GLU A 274 -13.949 10.918 -8.507 1.00 95.11 C +ATOM 2193 O GLU A 274 -13.468 11.591 -7.589 1.00 94.43 O +ATOM 2194 CB GLU A 274 -15.882 12.357 -9.212 1.00 93.73 C +ATOM 2195 CG GLU A 274 -17.123 12.361 -10.086 1.00 87.30 C +ATOM 2196 CD GLU A 274 -16.893 11.703 -11.456 1.00 83.17 C +ATOM 2197 OE1 GLU A 274 -17.840 11.091 -11.986 1.00 71.51 O +ATOM 2198 OE2 GLU A 274 -15.754 11.782 -11.954 1.00 69.12 O +ATOM 2199 N ALA A 275 -13.200 10.171 -9.306 1.00 95.22 N +ATOM 2200 CA ALA A 275 -11.758 10.018 -9.110 1.00 95.15 C +ATOM 2201 C ALA A 275 -11.006 11.356 -9.138 1.00 95.22 C +ATOM 2202 O ALA A 275 -10.082 11.568 -8.359 1.00 94.48 O +ATOM 2203 CB ALA A 275 -11.251 9.053 -10.184 1.00 94.59 C +ATOM 2204 N SER A 276 -11.443 12.274 -9.998 1.00 94.90 N +ATOM 2205 CA SER A 276 -10.858 13.615 -10.141 1.00 94.73 C +ATOM 2206 C SER A 276 -11.005 14.509 -8.917 1.00 95.08 C +ATOM 2207 O SER A 276 -10.260 15.482 -8.792 1.00 94.17 O +ATOM 2208 CB SER A 276 -11.505 14.317 -11.346 1.00 93.51 C +ATOM 2209 OG SER A 276 -12.906 14.314 -11.224 1.00 86.50 O +ATOM 2210 N PHE A 277 -11.914 14.203 -8.027 1.00 95.20 N +ATOM 2211 CA PHE A 277 -12.120 14.972 -6.789 1.00 95.10 C +ATOM 2212 C PHE A 277 -11.272 14.490 -5.621 1.00 95.26 C +ATOM 2213 O PHE A 277 -11.188 15.171 -4.597 1.00 94.81 O +ATOM 2214 CB PHE A 277 -13.613 14.976 -6.427 1.00 94.80 C +ATOM 2215 CG PHE A 277 -14.549 15.615 -7.434 1.00 94.25 C +ATOM 2216 CD1 PHE A 277 -14.082 16.422 -8.479 1.00 93.06 C +ATOM 2217 CD2 PHE A 277 -15.938 15.393 -7.287 1.00 92.29 C +ATOM 2218 CE1 PHE A 277 -14.970 16.994 -9.392 1.00 90.72 C +ATOM 2219 CE2 PHE A 277 -16.847 15.973 -8.205 1.00 91.17 C +ATOM 2220 CZ PHE A 277 -16.370 16.777 -9.267 1.00 91.24 C +ATOM 2221 N ARG A 278 -10.624 13.346 -5.749 1.00 95.77 N +ATOM 2222 CA ARG A 278 -9.731 12.832 -4.713 1.00 95.80 C +ATOM 2223 C ARG A 278 -8.421 13.624 -4.709 1.00 95.71 C +ATOM 2224 O ARG A 278 -7.929 14.007 -5.773 1.00 95.37 O +ATOM 2225 CB ARG A 278 -9.468 11.341 -4.923 1.00 95.82 C +ATOM 2226 CG ARG A 278 -10.752 10.517 -4.957 1.00 95.84 C +ATOM 2227 CD ARG A 278 -10.485 9.048 -5.263 1.00 95.59 C +ATOM 2228 NE ARG A 278 -11.709 8.399 -5.726 1.00 95.46 N +ATOM 2229 CZ ARG A 278 -11.821 7.393 -6.583 1.00 95.54 C +ATOM 2230 NH1 ARG A 278 -10.780 6.774 -7.049 1.00 94.89 N +ATOM 2231 NH2 ARG A 278 -12.988 7.023 -6.989 1.00 94.97 N1+ +ATOM 2232 N PRO A 279 -7.818 13.852 -3.545 1.00 96.10 N +ATOM 2233 CA PRO A 279 -6.502 14.474 -3.485 1.00 96.05 C +ATOM 2234 C PRO A 279 -5.449 13.556 -4.127 1.00 96.17 C +ATOM 2235 O PRO A 279 -5.617 12.350 -4.178 1.00 95.79 O +ATOM 2236 CB PRO A 279 -6.235 14.689 -1.989 1.00 95.75 C +ATOM 2237 CG PRO A 279 -7.047 13.578 -1.315 1.00 95.12 C +ATOM 2238 CD PRO A 279 -8.274 13.446 -2.224 1.00 95.80 C +ATOM 2239 N THR A 280 -4.360 14.121 -4.579 1.00 96.39 N +ATOM 2240 CA THR A 280 -3.177 13.321 -4.946 1.00 96.34 C +ATOM 2241 C THR A 280 -2.352 12.993 -3.712 1.00 96.44 C +ATOM 2242 O THR A 280 -2.504 13.608 -2.658 1.00 96.17 O +ATOM 2243 CB THR A 280 -2.313 14.060 -5.987 1.00 96.08 C +ATOM 2244 OG1 THR A 280 -1.716 15.201 -5.412 1.00 95.58 O +ATOM 2245 CG2 THR A 280 -3.113 14.508 -7.210 1.00 95.49 C +ATOM 2246 N PHE A 281 -1.423 12.059 -3.821 1.00 96.43 N +ATOM 2247 CA PHE A 281 -0.482 11.798 -2.731 1.00 96.45 C +ATOM 2248 C PHE A 281 0.393 13.012 -2.414 1.00 96.42 C +ATOM 2249 O PHE A 281 0.623 13.284 -1.241 1.00 96.17 O +ATOM 2250 CB PHE A 281 0.358 10.568 -3.065 1.00 96.47 C +ATOM 2251 CG PHE A 281 -0.413 9.266 -2.919 1.00 96.63 C +ATOM 2252 CD1 PHE A 281 -0.883 8.861 -1.659 1.00 96.37 C +ATOM 2253 CD2 PHE A 281 -0.669 8.458 -4.037 1.00 96.39 C +ATOM 2254 CE1 PHE A 281 -1.614 7.673 -1.512 1.00 96.14 C +ATOM 2255 CE2 PHE A 281 -1.391 7.257 -3.897 1.00 96.16 C +ATOM 2256 CZ PHE A 281 -1.862 6.861 -2.634 1.00 96.16 C +ATOM 2257 N GLU A 282 0.782 13.780 -3.431 1.00 96.47 N +ATOM 2258 CA GLU A 282 1.499 15.050 -3.219 1.00 96.22 C +ATOM 2259 C GLU A 282 0.687 16.049 -2.401 1.00 96.40 C +ATOM 2260 O GLU A 282 1.246 16.743 -1.556 1.00 95.77 O +ATOM 2261 CB GLU A 282 1.886 15.699 -4.551 1.00 95.42 C +ATOM 2262 CG GLU A 282 3.088 15.007 -5.215 1.00 88.37 C +ATOM 2263 CD GLU A 282 3.620 15.799 -6.412 1.00 84.59 C +ATOM 2264 OE1 GLU A 282 4.838 15.712 -6.685 1.00 71.15 O +ATOM 2265 OE2 GLU A 282 2.807 16.504 -7.070 1.00 69.14 O +ATOM 2266 N ASN A 283 -0.615 16.090 -2.593 1.00 96.05 N +ATOM 2267 CA ASN A 283 -1.467 16.974 -1.785 1.00 96.00 C +ATOM 2268 C ASN A 283 -1.629 16.450 -0.355 1.00 96.15 C +ATOM 2269 O ASN A 283 -1.767 17.239 0.575 1.00 95.75 O +ATOM 2270 CB ASN A 283 -2.859 17.102 -2.430 1.00 95.57 C +ATOM 2271 CG ASN A 283 -2.847 17.639 -3.861 1.00 94.00 C +ATOM 2272 OD1 ASN A 283 -3.542 17.094 -4.700 1.00 91.25 O +ATOM 2273 ND2 ASN A 283 -2.090 18.662 -4.164 1.00 87.98 N +ATOM 2274 N LEU A 284 -1.627 15.143 -0.175 1.00 96.27 N +ATOM 2275 CA LEU A 284 -1.820 14.503 1.128 1.00 96.31 C +ATOM 2276 C LEU A 284 -0.613 14.667 2.054 1.00 96.33 C +ATOM 2277 O LEU A 284 -0.802 14.844 3.259 1.00 96.09 O +ATOM 2278 CB LEU A 284 -2.135 13.012 0.916 1.00 96.35 C +ATOM 2279 CG LEU A 284 -3.541 12.749 0.355 1.00 96.20 C +ATOM 2280 CD1 LEU A 284 -3.649 11.276 -0.054 1.00 95.85 C +ATOM 2281 CD2 LEU A 284 -4.612 13.025 1.399 1.00 95.67 C +ATOM 2282 N ILE A 285 0.601 14.665 1.517 1.00 96.24 N +ATOM 2283 CA ILE A 285 1.844 14.776 2.294 1.00 96.24 C +ATOM 2284 C ILE A 285 1.849 16.013 3.208 1.00 96.24 C +ATOM 2285 O ILE A 285 1.972 15.841 4.425 1.00 96.04 O +ATOM 2286 CB ILE A 285 3.080 14.728 1.376 1.00 96.11 C +ATOM 2287 CG1 ILE A 285 3.257 13.325 0.766 1.00 95.77 C +ATOM 2288 CG2 ILE A 285 4.361 15.108 2.146 1.00 95.67 C +ATOM 2289 CD1 ILE A 285 4.122 13.332 -0.504 1.00 94.75 C +ATOM 2290 N PRO A 286 1.708 17.241 2.719 1.00 95.88 N +ATOM 2291 CA PRO A 286 1.755 18.421 3.584 1.00 95.72 C +ATOM 2292 C PRO A 286 0.587 18.481 4.572 1.00 95.79 C +ATOM 2293 O PRO A 286 0.767 18.930 5.704 1.00 95.30 O +ATOM 2294 CB PRO A 286 1.755 19.621 2.622 1.00 95.33 C +ATOM 2295 CG PRO A 286 1.077 19.080 1.369 1.00 94.49 C +ATOM 2296 CD PRO A 286 1.541 17.630 1.330 1.00 95.23 C +ATOM 2297 N ILE A 287 -0.576 17.962 4.191 1.00 95.95 N +ATOM 2298 CA ILE A 287 -1.745 17.873 5.077 1.00 95.84 C +ATOM 2299 C ILE A 287 -1.437 16.951 6.254 1.00 95.93 C +ATOM 2300 O ILE A 287 -1.565 17.345 7.408 1.00 95.60 O +ATOM 2301 CB ILE A 287 -3.003 17.430 4.298 1.00 95.52 C +ATOM 2302 CG1 ILE A 287 -3.371 18.454 3.207 1.00 94.35 C +ATOM 2303 CG2 ILE A 287 -4.190 17.237 5.263 1.00 93.89 C +ATOM 2304 CD1 ILE A 287 -4.441 17.982 2.222 1.00 91.48 C +ATOM 2305 N LEU A 288 -0.970 15.746 5.963 1.00 95.83 N +ATOM 2306 CA LEU A 288 -0.633 14.771 6.996 1.00 95.77 C +ATOM 2307 C LEU A 288 0.530 15.230 7.858 1.00 95.78 C +ATOM 2308 O LEU A 288 0.509 14.990 9.064 1.00 95.45 O +ATOM 2309 CB LEU A 288 -0.305 13.429 6.340 1.00 95.69 C +ATOM 2310 CG LEU A 288 -1.549 12.687 5.842 1.00 95.26 C +ATOM 2311 CD1 LEU A 288 -1.121 11.547 4.941 1.00 94.62 C +ATOM 2312 CD2 LEU A 288 -2.351 12.086 7.014 1.00 94.41 C +ATOM 2313 N LYS A 289 1.487 15.938 7.291 1.00 95.23 N +ATOM 2314 CA LYS A 289 2.604 16.536 8.039 1.00 95.11 C +ATOM 2315 C LYS A 289 2.107 17.532 9.089 1.00 95.23 C +ATOM 2316 O LYS A 289 2.480 17.427 10.257 1.00 94.65 O +ATOM 2317 CB LYS A 289 3.568 17.186 7.046 1.00 94.33 C +ATOM 2318 CG LYS A 289 5.006 17.142 7.548 1.00 90.18 C +ATOM 2319 CD LYS A 289 5.946 17.587 6.423 1.00 86.27 C +ATOM 2320 CE LYS A 289 7.397 17.318 6.812 1.00 79.82 C +ATOM 2321 NZ LYS A 289 8.316 17.520 5.673 1.00 73.33 N1+ +ATOM 2322 N THR A 290 1.204 18.395 8.679 1.00 95.09 N +ATOM 2323 CA THR A 290 0.594 19.391 9.578 1.00 94.97 C +ATOM 2324 C THR A 290 -0.243 18.719 10.675 1.00 95.07 C +ATOM 2325 O THR A 290 -0.137 19.090 11.850 1.00 94.38 O +ATOM 2326 CB THR A 290 -0.304 20.340 8.771 1.00 94.41 C +ATOM 2327 OG1 THR A 290 0.432 20.970 7.749 1.00 91.79 O +ATOM 2328 CG2 THR A 290 -0.908 21.431 9.640 1.00 90.53 C +ATOM 2329 N VAL A 291 -1.025 17.724 10.320 1.00 94.80 N +ATOM 2330 CA VAL A 291 -1.840 17.000 11.298 1.00 94.70 C +ATOM 2331 C VAL A 291 -0.965 16.206 12.257 1.00 94.71 C +ATOM 2332 O VAL A 291 -1.182 16.254 13.474 1.00 94.12 O +ATOM 2333 CB VAL A 291 -2.873 16.118 10.583 1.00 94.21 C +ATOM 2334 CG1 VAL A 291 -3.862 16.943 9.755 1.00 92.28 C +ATOM 2335 CG2 VAL A 291 -3.730 15.330 11.572 1.00 91.97 C +ATOM 2336 N HIS A 292 0.056 15.545 11.761 1.00 94.93 N +ATOM 2337 CA HIS A 292 1.028 14.837 12.590 1.00 94.77 C +ATOM 2338 C HIS A 292 1.713 15.736 13.600 1.00 94.61 C +ATOM 2339 O HIS A 292 1.752 15.416 14.799 1.00 93.88 O +ATOM 2340 CB HIS A 292 2.048 14.144 11.684 1.00 94.45 C +ATOM 2341 CG HIS A 292 3.238 13.622 12.435 1.00 93.56 C +ATOM 2342 ND1 HIS A 292 3.196 12.704 13.472 1.00 89.63 N1+ +ATOM 2343 CD2 HIS A 292 4.541 13.998 12.289 1.00 88.84 C +ATOM 2344 CE1 HIS A 292 4.446 12.534 13.939 1.00 88.82 C +ATOM 2345 NE2 HIS A 292 5.284 13.310 13.244 1.00 90.47 N +ATOM 2346 N GLU A 293 2.202 16.908 13.185 1.00 93.26 N +ATOM 2347 CA GLU A 293 2.824 17.881 14.080 1.00 92.96 C +ATOM 2348 C GLU A 293 1.861 18.363 15.171 1.00 92.97 C +ATOM 2349 O GLU A 293 2.224 18.399 16.356 1.00 92.16 O +ATOM 2350 CB GLU A 293 3.361 19.091 13.294 1.00 91.55 C +ATOM 2351 CG GLU A 293 4.635 18.738 12.528 1.00 82.22 C +ATOM 2352 CD GLU A 293 5.185 19.868 11.681 1.00 77.69 C +ATOM 2353 OE1 GLU A 293 6.301 19.684 11.133 1.00 66.87 O +ATOM 2354 OE2 GLU A 293 4.529 20.932 11.577 1.00 63.36 O +ATOM 2355 N LYS A 294 0.632 18.618 14.812 1.00 93.22 N +ATOM 2356 CA LYS A 294 -0.420 19.025 15.751 1.00 93.15 C +ATOM 2357 C LYS A 294 -0.636 17.996 16.856 1.00 93.24 C +ATOM 2358 O LYS A 294 -0.723 18.370 18.032 1.00 92.31 O +ATOM 2359 CB LYS A 294 -1.708 19.259 14.947 1.00 92.49 C +ATOM 2360 CG LYS A 294 -2.911 19.691 15.793 1.00 89.34 C +ATOM 2361 CD LYS A 294 -4.135 19.809 14.899 1.00 86.62 C +ATOM 2362 CE LYS A 294 -5.414 20.082 15.693 1.00 81.35 C +ATOM 2363 NZ LYS A 294 -6.612 20.010 14.803 1.00 72.57 N1+ +ATOM 2364 N TYR A 295 -0.704 16.727 16.524 1.00 93.16 N +ATOM 2365 CA TYR A 295 -0.923 15.670 17.529 1.00 93.31 C +ATOM 2366 C TYR A 295 0.346 15.217 18.238 1.00 93.11 C +ATOM 2367 O TYR A 295 0.253 14.714 19.366 1.00 91.97 O +ATOM 2368 CB TYR A 295 -1.638 14.493 16.877 1.00 93.14 C +ATOM 2369 CG TYR A 295 -3.094 14.809 16.571 1.00 93.28 C +ATOM 2370 CD1 TYR A 295 -4.041 14.875 17.605 1.00 92.41 C +ATOM 2371 CD2 TYR A 295 -3.501 15.065 15.253 1.00 92.11 C +ATOM 2372 CE1 TYR A 295 -5.360 15.250 17.340 1.00 91.27 C +ATOM 2373 CE2 TYR A 295 -4.815 15.446 14.971 1.00 91.79 C +ATOM 2374 CZ TYR A 295 -5.738 15.549 16.010 1.00 92.01 C +ATOM 2375 OH TYR A 295 -7.025 15.933 15.747 1.00 90.46 O +ATOM 2376 N ARG A 296 1.511 15.456 17.693 1.00 89.52 N +ATOM 2377 CA ARG A 296 2.791 15.193 18.358 1.00 88.35 C +ATOM 2378 C ARG A 296 3.026 16.100 19.558 1.00 87.64 C +ATOM 2379 O ARG A 296 3.525 15.638 20.587 1.00 85.49 O +ATOM 2380 CB ARG A 296 3.931 15.334 17.354 1.00 86.76 C +ATOM 2381 CG ARG A 296 5.171 14.580 17.820 1.00 80.98 C +ATOM 2382 CD ARG A 296 6.327 14.746 16.837 1.00 80.14 C +ATOM 2383 NE ARG A 296 7.061 16.005 17.095 1.00 76.31 N +ATOM 2384 CZ ARG A 296 8.179 16.395 16.508 1.00 71.37 C +ATOM 2385 NH1 ARG A 296 8.716 15.683 15.555 1.00 66.17 N +ATOM 2386 NH2 ARG A 296 8.793 17.455 16.845 1.00 64.30 N1+ +ATOM 2387 N HIS A 297 2.634 17.365 19.489 1.00 80.49 N +ATOM 2388 CA HIS A 297 2.806 18.324 20.573 1.00 80.14 C +ATOM 2389 C HIS A 297 1.879 18.068 21.761 1.00 79.97 C +ATOM 2390 O HIS A 297 2.257 18.372 22.889 1.00 76.25 O +ATOM 2391 CB HIS A 297 2.675 19.732 20.026 1.00 76.84 C +ATOM 2392 CG HIS A 297 3.874 20.139 19.214 1.00 73.64 C +ATOM 2393 ND1 HIS A 297 5.187 20.206 19.692 1.00 64.09 N1+ +ATOM 2394 CD2 HIS A 297 3.932 20.513 17.885 1.00 64.86 C +ATOM 2395 CE1 HIS A 297 6.001 20.599 18.696 1.00 63.55 C +ATOM 2396 NE2 HIS A 297 5.258 20.802 17.571 1.00 63.37 N +ATOM 2397 N HIS A 298 0.738 17.471 21.542 1.00 72.23 N +ATOM 2398 CA HIS A 298 -0.196 17.171 22.626 1.00 71.28 C +ATOM 2399 C HIS A 298 0.304 16.076 23.587 1.00 71.43 C +ATOM 2400 O HIS A 298 -0.100 16.068 24.743 1.00 67.48 O +ATOM 2401 CB HIS A 298 -1.566 16.807 22.037 1.00 66.69 C +ATOM 2402 CG HIS A 298 -2.337 18.031 21.602 1.00 64.97 C +ATOM 2403 ND1 HIS A 298 -2.697 19.106 22.427 1.00 54.11 N1+ +ATOM 2404 CD2 HIS A 298 -2.833 18.305 20.361 1.00 54.62 C +ATOM 2405 CE1 HIS A 298 -3.381 19.961 21.698 1.00 52.15 C +ATOM 2406 NE2 HIS A 298 -3.490 19.517 20.418 1.00 55.13 N +ATOM 2407 N HIS A 299 1.205 15.210 23.160 1.00 63.64 N +ATOM 2408 CA HIS A 299 1.767 14.158 24.029 1.00 63.19 C +ATOM 2409 C HIS A 299 2.927 14.595 24.905 1.00 63.47 C +ATOM 2410 O HIS A 299 3.351 13.835 25.795 1.00 58.69 O +ATOM 2411 CB HIS A 299 2.146 12.949 23.158 1.00 58.63 C +ATOM 2412 CG HIS A 299 0.978 12.028 22.943 1.00 56.19 C +ATOM 2413 ND1 HIS A 299 0.315 11.338 23.949 1.00 48.11 N1+ +ATOM 2414 CD2 HIS A 299 0.379 11.683 21.764 1.00 48.58 C +ATOM 2415 CE1 HIS A 299 -0.651 10.599 23.399 1.00 46.57 C +ATOM 2416 NE2 HIS A 299 -0.644 10.781 22.046 1.00 48.90 N +ATOM 2417 N HIS A 300 3.461 15.813 24.745 1.00 57.20 N +ATOM 2418 CA HIS A 300 4.527 16.342 25.618 1.00 55.29 C +ATOM 2419 C HIS A 300 3.995 17.239 26.751 1.00 56.30 C +ATOM 2420 O HIS A 300 4.820 17.746 27.517 1.00 52.77 O +ATOM 2421 CB HIS A 300 5.567 17.049 24.775 1.00 50.89 C +ATOM 2422 CG HIS A 300 6.481 16.112 24.019 1.00 47.62 C +ATOM 2423 ND1 HIS A 300 6.971 14.913 24.516 1.00 41.88 N1+ +ATOM 2424 CD2 HIS A 300 7.035 16.298 22.794 1.00 41.25 C +ATOM 2425 CE1 HIS A 300 7.794 14.387 23.625 1.00 38.08 C +ATOM 2426 NE2 HIS A 300 7.872 15.216 22.550 1.00 41.94 N +ATOM 2427 N HIS A 301 2.691 17.404 26.863 1.00 59.81 N +ATOM 2428 CA HIS A 301 2.059 18.261 27.863 1.00 58.09 C +ATOM 2429 C HIS A 301 1.169 17.505 28.855 1.00 58.11 C +ATOM 2430 O HIS A 301 0.439 18.153 29.589 1.00 53.48 O +ATOM 2431 CB HIS A 301 1.307 19.386 27.148 1.00 53.57 C +ATOM 2432 CG HIS A 301 2.237 20.448 26.623 1.00 50.67 C +ATOM 2433 ND1 HIS A 301 3.168 21.173 27.381 1.00 44.21 N1+ +ATOM 2434 CD2 HIS A 301 2.341 20.931 25.343 1.00 43.32 C +ATOM 2435 CE1 HIS A 301 3.791 22.051 26.593 1.00 40.38 C +ATOM 2436 NE2 HIS A 301 3.300 21.930 25.338 1.00 42.43 N +ATOM 2437 N HIS A 302 1.265 16.189 28.915 1.00 52.03 N +ATOM 2438 CA HIS A 302 0.566 15.357 29.904 1.00 49.58 C +ATOM 2439 C HIS A 302 1.513 14.371 30.587 1.00 49.23 C +ATOM 2440 O HIS A 302 2.422 13.854 29.924 1.00 44.10 O +ATOM 2441 CB HIS A 302 -0.602 14.621 29.267 1.00 45.05 C +ATOM 2442 CG HIS A 302 -1.800 15.486 29.047 1.00 42.44 C +ATOM 2443 ND1 HIS A 302 -2.379 16.272 30.051 1.00 37.24 N1+ +ATOM 2444 CD2 HIS A 302 -2.543 15.685 27.943 1.00 35.68 C +ATOM 2445 CE1 HIS A 302 -3.437 16.898 29.544 1.00 33.46 C +ATOM 2446 NE2 HIS A 302 -3.575 16.570 28.261 1.00 36.12 N +HETATM 2447 O1 LIG Z 1 7.409 -10.547 8.266 1.00 91.39 O +HETATM 2448 C1 LIG Z 1 8.485 -9.956 8.537 1.00 93.39 C +HETATM 2449 C2 LIG Z 1 8.969 -9.969 9.993 1.00 90.38 C +HETATM 2450 O2 LIG Z 1 8.881 -11.194 10.568 1.00 87.16 O +HETATM 2451 N1 LIG Z 1 9.292 -9.266 7.644 1.00 93.88 N +HETATM 2452 C3 LIG Z 1 9.139 -9.128 6.293 1.00 94.43 C +HETATM 2453 C4 LIG Z 1 7.930 -9.467 5.684 1.00 93.52 C +HETATM 2454 C5 LIG Z 1 7.817 -9.295 4.333 1.00 93.33 C +HETATM 2455 N2 LIG Z 1 6.530 -9.579 3.845 1.00 90.96 N +HETATM 2456 C6 LIG Z 1 6.110 -9.455 2.583 1.00 91.57 C +HETATM 2457 O3 LIG Z 1 6.846 -9.147 1.628 1.00 89.50 O +HETATM 2458 C7 LIG Z 1 4.701 -9.700 2.317 1.00 90.45 C +HETATM 2459 C8 LIG Z 1 3.897 -8.666 1.824 1.00 88.02 C +HETATM 2460 CL1 LIG Z 1 4.582 -7.094 1.592 1.00 87.09 CL +HETATM 2461 C9 LIG Z 1 2.541 -8.856 1.546 1.00 86.82 C +HETATM 2462 C10 LIG Z 1 1.942 -10.091 1.762 1.00 86.84 C +HETATM 2463 C11 LIG Z 1 2.697 -11.131 2.285 1.00 85.34 C +HETATM 2464 C12 LIG Z 1 4.067 -10.935 2.555 1.00 87.73 C +HETATM 2465 CL2 LIG Z 1 4.949 -12.245 3.259 1.00 85.97 CL +HETATM 2466 C13 LIG Z 1 8.852 -8.781 3.559 1.00 93.74 C +HETATM 2467 C14 LIG Z 1 10.052 -8.423 4.238 1.00 94.05 C +HETATM 2468 N3 LIG Z 1 10.172 -8.589 5.568 1.00 94.52 N +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2451 +CONECT 2449 2448 2450 +CONECT 2450 2449 +CONECT 2451 2448 2452 +CONECT 2452 2451 2453 2468 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2466 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2464 +CONECT 2459 2458 2460 2461 +CONECT 2460 2459 +CONECT 2461 2459 2462 +CONECT 2462 2461 2463 +CONECT 2463 2462 2464 +CONECT 2464 2463 2465 2458 +CONECT 2465 2464 +CONECT 2466 2454 2467 +CONECT 2467 2466 2468 +CONECT 2468 2467 2452 diff --git a/cookbook/assets/of3_output/lig_jmc_23_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_jmc_23_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..b602c54 --- /dev/null +++ b/cookbook/assets/of3_output/lig_jmc_23_seed_42_sample_1_model.pdb @@ -0,0 +1,3096 @@ +ATOM 1 N MET A 1 44.876 -11.869 -11.784 1.00 35.57 N +ATOM 2 CA MET A 1 43.502 -11.807 -12.284 1.00 31.85 C +ATOM 3 C MET A 1 42.614 -11.484 -11.052 1.00 32.81 C +ATOM 4 O MET A 1 42.604 -12.287 -10.133 1.00 30.37 O +ATOM 5 CB MET A 1 43.082 -13.160 -12.903 1.00 29.75 C +ATOM 6 CG MET A 1 43.754 -13.368 -14.278 1.00 28.02 C +ATOM 7 SD MET A 1 43.508 -15.035 -14.955 1.00 24.66 S +ATOM 8 CE MET A 1 44.154 -14.829 -16.615 1.00 22.39 C +ATOM 9 N GLY A 2 42.023 -10.328 -11.020 1.00 33.98 N +ATOM 10 CA GLY A 2 41.094 -10.034 -9.968 1.00 31.76 C +ATOM 11 C GLY A 2 39.907 -10.983 -10.100 1.00 34.17 C +ATOM 12 O GLY A 2 39.472 -11.268 -11.219 1.00 32.87 O +ATOM 13 N SER A 3 39.412 -11.491 -9.001 1.00 42.64 N +ATOM 14 CA SER A 3 38.140 -12.212 -9.023 1.00 42.05 C +ATOM 15 C SER A 3 37.089 -11.273 -9.617 1.00 43.30 C +ATOM 16 O SER A 3 37.051 -10.119 -9.198 1.00 41.29 O +ATOM 17 CB SER A 3 37.738 -12.621 -7.620 1.00 37.88 C +ATOM 18 OG SER A 3 38.730 -13.446 -7.041 1.00 35.70 O +ATOM 19 N PRO A 4 36.277 -11.714 -10.561 1.00 47.05 N +ATOM 20 CA PRO A 4 35.197 -10.869 -11.051 1.00 45.26 C +ATOM 21 C PRO A 4 34.391 -10.498 -9.854 1.00 47.54 C +ATOM 22 O PRO A 4 34.052 -11.371 -9.054 1.00 44.15 O +ATOM 23 CB PRO A 4 34.455 -11.741 -12.084 1.00 40.25 C +ATOM 24 CG PRO A 4 34.815 -13.165 -11.690 1.00 39.47 C +ATOM 25 CD PRO A 4 36.201 -13.076 -11.118 1.00 40.34 C +ATOM 26 N ALA A 5 34.155 -9.209 -9.675 1.00 54.43 N +ATOM 27 CA ALA A 5 33.385 -8.720 -8.529 1.00 54.20 C +ATOM 28 C ALA A 5 32.039 -9.437 -8.565 1.00 56.37 C +ATOM 29 O ALA A 5 31.305 -9.337 -9.567 1.00 52.94 O +ATOM 30 CB ALA A 5 33.216 -7.199 -8.610 1.00 47.92 C +ATOM 31 N SER A 6 31.762 -10.206 -7.568 1.00 67.15 N +ATOM 32 CA SER A 6 30.503 -10.943 -7.484 1.00 67.90 C +ATOM 33 C SER A 6 29.370 -9.936 -7.505 1.00 69.56 C +ATOM 34 O SER A 6 29.360 -9.014 -6.674 1.00 65.17 O +ATOM 35 CB SER A 6 30.494 -11.766 -6.212 1.00 62.13 C +ATOM 36 OG SER A 6 29.276 -12.472 -6.102 1.00 55.48 O +ATOM 37 N ASP A 7 28.453 -10.086 -8.425 1.00 77.84 N +ATOM 38 CA ASP A 7 27.289 -9.218 -8.494 1.00 79.40 C +ATOM 39 C ASP A 7 26.518 -9.324 -7.178 1.00 81.21 C +ATOM 40 O ASP A 7 26.019 -10.411 -6.854 1.00 80.08 O +ATOM 41 CB ASP A 7 26.429 -9.603 -9.720 1.00 76.25 C +ATOM 42 CG ASP A 7 25.161 -8.774 -9.859 1.00 73.45 C +ATOM 43 OD1 ASP A 7 24.831 -7.969 -8.949 1.00 65.74 O +ATOM 44 OD2 ASP A 7 24.453 -8.966 -10.878 1.00 67.89 O +ATOM 45 N PRO A 8 26.424 -8.246 -6.409 1.00 85.02 N +ATOM 46 CA PRO A 8 25.824 -8.292 -5.085 1.00 85.56 C +ATOM 47 C PRO A 8 24.308 -8.587 -5.140 1.00 86.57 C +ATOM 48 O PRO A 8 23.713 -8.871 -4.111 1.00 83.93 O +ATOM 49 CB PRO A 8 26.114 -6.923 -4.474 1.00 82.05 C +ATOM 50 CG PRO A 8 26.202 -5.998 -5.694 1.00 79.15 C +ATOM 51 CD PRO A 8 26.860 -6.887 -6.735 1.00 82.35 C +ATOM 52 N THR A 9 23.710 -8.530 -6.321 1.00 89.15 N +ATOM 53 CA THR A 9 22.298 -8.877 -6.522 1.00 89.69 C +ATOM 54 C THR A 9 22.069 -10.359 -6.816 1.00 90.15 C +ATOM 55 O THR A 9 20.939 -10.798 -6.914 1.00 88.25 O +ATOM 56 CB THR A 9 21.676 -8.017 -7.649 1.00 88.21 C +ATOM 57 OG1 THR A 9 22.154 -8.391 -8.927 1.00 85.76 O +ATOM 58 CG2 THR A 9 21.937 -6.529 -7.460 1.00 85.58 C +ATOM 59 N VAL A 10 23.130 -11.151 -6.949 1.00 91.17 N +ATOM 60 CA VAL A 10 23.013 -12.592 -7.140 1.00 91.37 C +ATOM 61 C VAL A 10 23.188 -13.300 -5.800 1.00 91.89 C +ATOM 62 O VAL A 10 24.297 -13.393 -5.265 1.00 90.91 O +ATOM 63 CB VAL A 10 24.000 -13.094 -8.188 1.00 89.94 C +ATOM 64 CG1 VAL A 10 23.755 -12.459 -9.564 1.00 84.98 C +ATOM 65 CG2 VAL A 10 23.896 -14.618 -8.365 1.00 85.03 C +ATOM 66 N PHE A 11 22.125 -13.853 -5.314 1.00 92.19 N +ATOM 67 CA PHE A 11 22.129 -14.658 -4.098 1.00 92.50 C +ATOM 68 C PHE A 11 22.245 -16.133 -4.407 1.00 92.53 C +ATOM 69 O PHE A 11 21.552 -16.666 -5.268 1.00 91.88 O +ATOM 70 CB PHE A 11 20.857 -14.365 -3.294 1.00 92.58 C +ATOM 71 CG PHE A 11 20.896 -13.014 -2.591 1.00 93.43 C +ATOM 72 CD1 PHE A 11 21.099 -12.946 -1.206 1.00 92.54 C +ATOM 73 CD2 PHE A 11 20.768 -11.824 -3.327 1.00 92.33 C +ATOM 74 CE1 PHE A 11 21.193 -11.699 -0.561 1.00 91.75 C +ATOM 75 CE2 PHE A 11 20.841 -10.567 -2.685 1.00 92.23 C +ATOM 76 CZ PHE A 11 21.059 -10.509 -1.297 1.00 92.33 C +ATOM 77 N HIS A 12 23.139 -16.809 -3.711 1.00 91.17 N +ATOM 78 CA HIS A 12 23.352 -18.221 -3.904 1.00 91.10 C +ATOM 79 C HIS A 12 22.555 -19.051 -2.908 1.00 91.40 C +ATOM 80 O HIS A 12 22.781 -18.955 -1.706 1.00 90.26 O +ATOM 81 CB HIS A 12 24.834 -18.534 -3.816 1.00 89.77 C +ATOM 82 CG HIS A 12 25.637 -17.917 -4.915 1.00 87.93 C +ATOM 83 ND1 HIS A 12 25.613 -18.301 -6.240 1.00 79.75 N1+ +ATOM 84 CD2 HIS A 12 26.498 -16.855 -4.811 1.00 78.94 C +ATOM 85 CE1 HIS A 12 26.467 -17.507 -6.915 1.00 78.38 C +ATOM 86 NE2 HIS A 12 27.003 -16.609 -6.085 1.00 79.60 N +ATOM 87 N LYS A 13 21.733 -19.923 -3.420 1.00 89.96 N +ATOM 88 CA LYS A 13 20.836 -20.765 -2.609 1.00 90.21 C +ATOM 89 C LYS A 13 21.551 -21.552 -1.503 1.00 90.82 C +ATOM 90 O LYS A 13 21.002 -21.752 -0.438 1.00 89.31 O +ATOM 91 CB LYS A 13 20.044 -21.682 -3.553 1.00 87.96 C +ATOM 92 CG LYS A 13 18.864 -22.385 -2.858 1.00 77.29 C +ATOM 93 CD LYS A 13 17.935 -23.043 -3.891 1.00 73.15 C +ATOM 94 CE LYS A 13 16.683 -23.607 -3.230 1.00 66.82 C +ATOM 95 NZ LYS A 13 15.612 -23.917 -4.231 1.00 60.25 N1+ +ATOM 96 N ARG A 14 22.793 -21.955 -1.746 1.00 89.53 N +ATOM 97 CA ARG A 14 23.603 -22.677 -0.753 1.00 89.25 C +ATOM 98 C ARG A 14 23.933 -21.887 0.514 1.00 89.72 C +ATOM 99 O ARG A 14 24.231 -22.513 1.539 1.00 87.99 O +ATOM 100 CB ARG A 14 24.908 -23.179 -1.414 1.00 87.65 C +ATOM 101 CG ARG A 14 25.865 -22.032 -1.833 1.00 81.65 C +ATOM 102 CD ARG A 14 27.143 -22.573 -2.484 1.00 78.22 C +ATOM 103 NE ARG A 14 28.032 -21.495 -2.912 1.00 72.97 N +ATOM 104 CZ ARG A 14 28.101 -20.929 -4.110 1.00 67.60 C +ATOM 105 NH1 ARG A 14 27.309 -21.294 -5.072 1.00 61.96 N +ATOM 106 NH2 ARG A 14 28.940 -19.983 -4.324 1.00 61.22 N1+ +ATOM 107 N TYR A 15 23.880 -20.556 0.443 1.00 90.90 N +ATOM 108 CA TYR A 15 24.112 -19.671 1.580 1.00 91.14 C +ATOM 109 C TYR A 15 22.822 -19.150 2.225 1.00 91.48 C +ATOM 110 O TYR A 15 22.883 -18.445 3.236 1.00 90.47 O +ATOM 111 CB TYR A 15 24.998 -18.511 1.140 1.00 90.63 C +ATOM 112 CG TYR A 15 26.315 -18.890 0.520 1.00 90.39 C +ATOM 113 CD1 TYR A 15 27.174 -19.795 1.183 1.00 87.83 C +ATOM 114 CD2 TYR A 15 26.704 -18.322 -0.717 1.00 87.26 C +ATOM 115 CE1 TYR A 15 28.419 -20.129 0.628 1.00 85.99 C +ATOM 116 CE2 TYR A 15 27.968 -18.664 -1.274 1.00 86.73 C +ATOM 117 CZ TYR A 15 28.808 -19.559 -0.609 1.00 87.04 C +ATOM 118 OH TYR A 15 30.042 -19.872 -1.130 1.00 84.94 O +ATOM 119 N LEU A 16 21.673 -19.473 1.666 1.00 91.58 N +ATOM 120 CA LEU A 16 20.377 -19.150 2.233 1.00 91.96 C +ATOM 121 C LEU A 16 19.923 -20.248 3.194 1.00 91.87 C +ATOM 122 O LEU A 16 19.603 -21.369 2.791 1.00 90.66 O +ATOM 123 CB LEU A 16 19.362 -18.946 1.100 1.00 91.49 C +ATOM 124 CG LEU A 16 19.483 -17.592 0.358 1.00 89.81 C +ATOM 125 CD1 LEU A 16 18.572 -17.597 -0.876 1.00 88.75 C +ATOM 126 CD2 LEU A 16 19.050 -16.425 1.238 1.00 88.16 C +ATOM 127 N LYS A 17 19.849 -19.899 4.466 1.00 92.25 N +ATOM 128 CA LYS A 17 19.357 -20.775 5.519 1.00 91.97 C +ATOM 129 C LYS A 17 17.967 -20.308 5.939 1.00 92.12 C +ATOM 130 O LYS A 17 17.823 -19.242 6.537 1.00 91.00 O +ATOM 131 CB LYS A 17 20.355 -20.776 6.696 1.00 90.55 C +ATOM 132 CG LYS A 17 21.719 -21.377 6.291 1.00 84.19 C +ATOM 133 CD LYS A 17 22.752 -21.205 7.402 1.00 80.57 C +ATOM 134 CE LYS A 17 24.109 -21.694 6.913 1.00 75.40 C +ATOM 135 NZ LYS A 17 25.245 -21.292 7.807 1.00 66.82 N1+ +ATOM 136 N LYS A 18 16.959 -21.099 5.643 1.00 91.52 N +ATOM 137 CA LYS A 18 15.592 -20.766 6.020 1.00 91.55 C +ATOM 138 C LYS A 18 15.440 -20.781 7.541 1.00 91.50 C +ATOM 139 O LYS A 18 15.837 -21.752 8.186 1.00 90.50 O +ATOM 140 CB LYS A 18 14.600 -21.730 5.337 1.00 90.81 C +ATOM 141 CG LYS A 18 13.146 -21.306 5.613 1.00 87.82 C +ATOM 142 CD LYS A 18 12.117 -22.177 4.859 1.00 85.84 C +ATOM 143 CE LYS A 18 10.731 -21.695 5.267 1.00 81.80 C +ATOM 144 NZ LYS A 18 9.623 -22.407 4.594 1.00 76.78 N1+ +ATOM 145 N ILE A 19 14.792 -19.749 8.082 1.00 91.84 N +ATOM 146 CA ILE A 19 14.482 -19.612 9.496 1.00 91.89 C +ATOM 147 C ILE A 19 13.006 -19.918 9.743 1.00 91.96 C +ATOM 148 O ILE A 19 12.691 -20.799 10.556 1.00 91.22 O +ATOM 149 CB ILE A 19 14.903 -18.227 10.016 1.00 91.34 C +ATOM 150 CG1 ILE A 19 16.417 -17.988 9.797 1.00 89.41 C +ATOM 151 CG2 ILE A 19 14.514 -18.062 11.497 1.00 88.51 C +ATOM 152 CD1 ILE A 19 16.881 -16.574 10.173 1.00 84.50 C +ATOM 153 N ARG A 20 12.110 -19.236 9.072 1.00 89.91 N +ATOM 154 CA ARG A 20 10.662 -19.408 9.225 1.00 89.45 C +ATOM 155 C ARG A 20 9.889 -18.844 8.048 1.00 89.87 C +ATOM 156 O ARG A 20 10.407 -18.014 7.315 1.00 88.82 O +ATOM 157 CB ARG A 20 10.189 -18.772 10.537 1.00 88.20 C +ATOM 158 CG ARG A 20 10.383 -17.241 10.591 1.00 84.01 C +ATOM 159 CD ARG A 20 9.935 -16.686 11.963 1.00 81.17 C +ATOM 160 NE ARG A 20 10.007 -15.225 11.978 1.00 77.93 N +ATOM 161 CZ ARG A 20 10.109 -14.447 13.054 1.00 75.39 C +ATOM 162 NH1 ARG A 20 10.193 -14.927 14.256 1.00 71.29 N +ATOM 163 NH2 ARG A 20 10.130 -13.167 12.926 1.00 70.44 N1+ +ATOM 164 N ASP A 21 8.629 -19.186 7.943 1.00 90.09 N +ATOM 165 CA ASP A 21 7.703 -18.526 7.029 1.00 90.45 C +ATOM 166 C ASP A 21 7.233 -17.209 7.641 1.00 90.70 C +ATOM 167 O ASP A 21 7.001 -17.110 8.844 1.00 89.62 O +ATOM 168 CB ASP A 21 6.552 -19.473 6.706 1.00 89.41 C +ATOM 169 CG ASP A 21 7.034 -20.716 5.962 1.00 86.58 C +ATOM 170 OD1 ASP A 21 7.956 -20.622 5.142 1.00 81.84 O +ATOM 171 OD2 ASP A 21 6.487 -21.828 6.211 1.00 80.17 O +ATOM 172 N LEU A 22 7.095 -16.198 6.798 1.00 90.61 N +ATOM 173 CA LEU A 22 6.584 -14.883 7.165 1.00 90.69 C +ATOM 174 C LEU A 22 5.133 -14.682 6.723 1.00 90.42 C +ATOM 175 O LEU A 22 4.393 -13.941 7.358 1.00 89.51 O +ATOM 176 CB LEU A 22 7.483 -13.796 6.555 1.00 91.11 C +ATOM 177 CG LEU A 22 8.928 -13.765 7.058 1.00 91.86 C +ATOM 178 CD1 LEU A 22 9.705 -12.682 6.330 1.00 91.28 C +ATOM 179 CD2 LEU A 22 9.005 -13.483 8.559 1.00 90.77 C +ATOM 180 N GLY A 23 4.728 -15.341 5.663 1.00 84.52 N +ATOM 181 CA GLY A 23 3.360 -15.289 5.150 1.00 83.72 C +ATOM 182 C GLY A 23 3.276 -15.563 3.661 1.00 84.18 C +ATOM 183 O GLY A 23 4.240 -15.972 3.025 1.00 83.14 O +ATOM 184 N GLU A 24 2.111 -15.339 3.110 1.00 79.66 N +ATOM 185 CA GLU A 24 1.869 -15.437 1.675 1.00 79.81 C +ATOM 186 C GLU A 24 1.481 -14.078 1.110 1.00 79.95 C +ATOM 187 O GLU A 24 0.623 -13.376 1.653 1.00 76.73 O +ATOM 188 CB GLU A 24 0.804 -16.491 1.361 1.00 77.02 C +ATOM 189 CG GLU A 24 1.235 -17.900 1.782 1.00 72.26 C +ATOM 190 CD GLU A 24 0.384 -19.012 1.171 1.00 69.31 C +ATOM 191 OE1 GLU A 24 0.786 -20.214 1.296 1.00 58.99 O +ATOM 192 OE2 GLU A 24 -0.642 -18.706 0.524 1.00 58.83 O +ATOM 193 N GLY A 25 2.124 -13.686 0.029 1.00 78.22 N +ATOM 194 CA GLY A 25 1.779 -12.541 -0.789 1.00 78.29 C +ATOM 195 C GLY A 25 1.161 -12.975 -2.108 1.00 80.23 C +ATOM 196 O GLY A 25 0.871 -14.154 -2.334 1.00 77.21 O +ATOM 197 N HIS A 26 0.962 -12.025 -3.019 1.00 76.29 N +ATOM 198 CA HIS A 26 0.513 -12.373 -4.363 1.00 75.79 C +ATOM 199 C HIS A 26 1.553 -13.251 -5.064 1.00 76.79 C +ATOM 200 O HIS A 26 2.757 -13.025 -4.934 1.00 73.44 O +ATOM 201 CB HIS A 26 0.206 -11.099 -5.152 1.00 72.36 C +ATOM 202 CG HIS A 26 -1.103 -11.203 -5.863 1.00 72.10 C +ATOM 203 ND1 HIS A 26 -1.296 -11.761 -7.132 1.00 59.54 N1+ +ATOM 204 CD2 HIS A 26 -2.336 -10.826 -5.390 1.00 61.67 C +ATOM 205 CE1 HIS A 26 -2.615 -11.698 -7.410 1.00 60.34 C +ATOM 206 NE2 HIS A 26 -3.267 -11.144 -6.380 1.00 60.94 N +ATOM 207 N PHE A 27 1.119 -14.249 -5.769 1.00 75.91 N +ATOM 208 CA PHE A 27 1.916 -15.245 -6.526 1.00 76.68 C +ATOM 209 C PHE A 27 2.851 -16.165 -5.739 1.00 77.15 C +ATOM 210 O PHE A 27 3.363 -17.116 -6.331 1.00 70.44 O +ATOM 211 CB PHE A 27 2.688 -14.543 -7.637 1.00 71.30 C +ATOM 212 CG PHE A 27 1.856 -13.617 -8.490 1.00 73.09 C +ATOM 213 CD1 PHE A 27 0.737 -14.099 -9.186 1.00 66.11 C +ATOM 214 CD2 PHE A 27 2.199 -12.259 -8.575 1.00 67.68 C +ATOM 215 CE1 PHE A 27 -0.041 -13.236 -9.955 1.00 61.97 C +ATOM 216 CE2 PHE A 27 1.414 -11.384 -9.352 1.00 65.80 C +ATOM 217 CZ PHE A 27 0.301 -11.876 -10.047 1.00 65.54 C +ATOM 218 N GLY A 28 3.079 -15.952 -4.445 1.00 79.77 N +ATOM 219 CA GLY A 28 4.075 -16.746 -3.756 1.00 80.38 C +ATOM 220 C GLY A 28 4.069 -16.638 -2.249 1.00 81.92 C +ATOM 221 O GLY A 28 3.215 -16.016 -1.626 1.00 79.81 O +ATOM 222 N LYS A 29 5.045 -17.294 -1.669 1.00 87.23 N +ATOM 223 CA LYS A 29 5.283 -17.364 -0.245 1.00 87.81 C +ATOM 224 C LYS A 29 6.522 -16.558 0.126 1.00 88.54 C +ATOM 225 O LYS A 29 7.539 -16.668 -0.548 1.00 86.64 O +ATOM 226 CB LYS A 29 5.429 -18.832 0.139 1.00 85.43 C +ATOM 227 CG LYS A 29 5.413 -19.030 1.647 1.00 77.79 C +ATOM 228 CD LYS A 29 5.493 -20.528 1.998 1.00 72.65 C +ATOM 229 CE LYS A 29 5.167 -20.695 3.465 1.00 66.81 C +ATOM 230 NZ LYS A 29 5.328 -22.100 3.936 1.00 61.27 N1+ +ATOM 231 N VAL A 30 6.454 -15.789 1.206 1.00 91.30 N +ATOM 232 CA VAL A 30 7.581 -15.053 1.767 1.00 91.52 C +ATOM 233 C VAL A 30 8.088 -15.768 3.003 1.00 91.59 C +ATOM 234 O VAL A 30 7.325 -16.112 3.891 1.00 90.98 O +ATOM 235 CB VAL A 30 7.211 -13.587 2.069 1.00 91.01 C +ATOM 236 CG1 VAL A 30 6.612 -12.877 0.847 1.00 90.01 C +ATOM 237 CG2 VAL A 30 8.458 -12.799 2.500 1.00 89.82 C +ATOM 238 N SER A 31 9.382 -15.969 3.056 1.00 93.20 N +ATOM 239 CA SER A 31 10.057 -16.606 4.186 1.00 93.20 C +ATOM 240 C SER A 31 11.255 -15.787 4.633 1.00 93.40 C +ATOM 241 O SER A 31 11.925 -15.154 3.827 1.00 92.66 O +ATOM 242 CB SER A 31 10.496 -18.025 3.832 1.00 92.50 C +ATOM 243 OG SER A 31 9.392 -18.806 3.383 1.00 89.74 O +ATOM 244 N LEU A 32 11.542 -15.806 5.916 1.00 93.30 N +ATOM 245 CA LEU A 32 12.765 -15.269 6.482 1.00 93.47 C +ATOM 246 C LEU A 32 13.912 -16.247 6.264 1.00 93.49 C +ATOM 247 O LEU A 32 13.786 -17.420 6.613 1.00 93.00 O +ATOM 248 CB LEU A 32 12.540 -14.965 7.970 1.00 93.31 C +ATOM 249 CG LEU A 32 13.774 -14.437 8.719 1.00 92.57 C +ATOM 250 CD1 LEU A 32 13.468 -14.282 10.206 1.00 91.90 C +ATOM 251 CD2 LEU A 32 14.229 -13.080 8.194 1.00 91.74 C +ATOM 252 N TYR A 33 15.008 -15.739 5.756 1.00 93.71 N +ATOM 253 CA TYR A 33 16.256 -16.480 5.615 1.00 93.69 C +ATOM 254 C TYR A 33 17.401 -15.686 6.245 1.00 93.77 C +ATOM 255 O TYR A 33 17.386 -14.460 6.259 1.00 93.32 O +ATOM 256 CB TYR A 33 16.540 -16.738 4.134 1.00 93.32 C +ATOM 257 CG TYR A 33 15.694 -17.833 3.506 1.00 92.98 C +ATOM 258 CD1 TYR A 33 16.268 -19.078 3.224 1.00 91.75 C +ATOM 259 CD2 TYR A 33 14.350 -17.591 3.155 1.00 91.58 C +ATOM 260 CE1 TYR A 33 15.501 -20.088 2.608 1.00 90.67 C +ATOM 261 CE2 TYR A 33 13.590 -18.612 2.547 1.00 90.64 C +ATOM 262 CZ TYR A 33 14.170 -19.852 2.279 1.00 90.87 C +ATOM 263 OH TYR A 33 13.439 -20.852 1.674 1.00 89.84 O +ATOM 264 N CYS A 34 18.424 -16.385 6.683 1.00 93.22 N +ATOM 265 CA CYS A 34 19.750 -15.846 6.881 1.00 93.26 C +ATOM 266 C CYS A 34 20.579 -16.122 5.628 1.00 93.36 C +ATOM 267 O CYS A 34 20.675 -17.281 5.195 1.00 92.37 O +ATOM 268 CB CYS A 34 20.350 -16.488 8.118 1.00 92.10 C +ATOM 269 SG CYS A 34 21.997 -15.806 8.476 1.00 88.06 S +ATOM 270 N TYR A 35 21.169 -15.081 5.039 1.00 91.90 N +ATOM 271 CA TYR A 35 22.131 -15.213 3.945 1.00 91.88 C +ATOM 272 C TYR A 35 23.533 -15.076 4.504 1.00 91.50 C +ATOM 273 O TYR A 35 23.957 -13.995 4.896 1.00 90.74 O +ATOM 274 CB TYR A 35 21.837 -14.173 2.859 1.00 92.06 C +ATOM 275 CG TYR A 35 22.691 -14.389 1.636 1.00 92.96 C +ATOM 276 CD1 TYR A 35 22.509 -15.540 0.833 1.00 92.29 C +ATOM 277 CD2 TYR A 35 23.711 -13.476 1.287 1.00 92.39 C +ATOM 278 CE1 TYR A 35 23.304 -15.769 -0.302 1.00 91.94 C +ATOM 279 CE2 TYR A 35 24.501 -13.704 0.156 1.00 92.00 C +ATOM 280 CZ TYR A 35 24.305 -14.841 -0.639 1.00 92.15 C +ATOM 281 OH TYR A 35 25.081 -15.072 -1.758 1.00 91.08 O +ATOM 282 N ASP A 36 24.249 -16.154 4.548 1.00 88.83 N +ATOM 283 CA ASP A 36 25.562 -16.252 5.180 1.00 89.06 C +ATOM 284 C ASP A 36 26.618 -16.824 4.218 1.00 88.81 C +ATOM 285 O ASP A 36 26.919 -18.011 4.234 1.00 87.56 O +ATOM 286 CB ASP A 36 25.398 -17.105 6.449 1.00 88.32 C +ATOM 287 CG ASP A 36 26.648 -17.126 7.309 1.00 89.10 C +ATOM 288 OD1 ASP A 36 27.591 -16.378 7.033 1.00 85.14 O +ATOM 289 OD2 ASP A 36 26.633 -17.934 8.278 1.00 84.34 O +ATOM 290 N PRO A 37 27.170 -15.970 3.316 1.00 87.72 N +ATOM 291 CA PRO A 37 28.112 -16.417 2.315 1.00 87.18 C +ATOM 292 C PRO A 37 29.479 -16.789 2.904 1.00 87.03 C +ATOM 293 O PRO A 37 30.203 -17.573 2.273 1.00 84.22 O +ATOM 294 CB PRO A 37 28.223 -15.260 1.326 1.00 85.43 C +ATOM 295 CG PRO A 37 27.870 -14.051 2.147 1.00 84.19 C +ATOM 296 CD PRO A 37 26.821 -14.572 3.117 1.00 86.58 C +ATOM 297 N THR A 38 29.843 -16.259 4.058 1.00 85.62 N +ATOM 298 CA THR A 38 31.079 -16.576 4.760 1.00 85.01 C +ATOM 299 C THR A 38 30.963 -17.818 5.647 1.00 84.85 C +ATOM 300 O THR A 38 31.971 -18.442 5.979 1.00 82.00 O +ATOM 301 CB THR A 38 31.569 -15.393 5.584 1.00 82.76 C +ATOM 302 OG1 THR A 38 30.542 -14.880 6.376 1.00 77.69 O +ATOM 303 CG2 THR A 38 32.016 -14.241 4.666 1.00 78.07 C +ATOM 304 N ASN A 39 29.758 -18.200 5.938 1.00 81.86 N +ATOM 305 CA ASN A 39 29.401 -19.366 6.765 1.00 81.43 C +ATOM 306 C ASN A 39 29.971 -19.307 8.194 1.00 81.62 C +ATOM 307 O ASN A 39 30.319 -20.333 8.783 1.00 78.41 O +ATOM 308 CB ASN A 39 29.732 -20.654 5.965 1.00 78.53 C +ATOM 309 CG ASN A 39 28.792 -21.796 6.225 1.00 76.48 C +ATOM 310 OD1 ASN A 39 27.676 -21.671 6.732 1.00 68.42 O +ATOM 311 ND2 ASN A 39 29.184 -22.966 5.791 1.00 68.07 N +ATOM 312 N ASP A 40 30.086 -18.082 8.699 1.00 80.87 N +ATOM 313 CA ASP A 40 30.631 -17.772 10.025 1.00 80.26 C +ATOM 314 C ASP A 40 29.553 -17.383 11.062 1.00 80.73 C +ATOM 315 O ASP A 40 29.894 -17.059 12.210 1.00 77.00 O +ATOM 316 CB ASP A 40 31.695 -16.708 9.882 1.00 78.15 C +ATOM 317 CG ASP A 40 31.182 -15.362 9.370 1.00 78.20 C +ATOM 318 OD1 ASP A 40 29.968 -15.187 9.245 1.00 71.73 O +ATOM 319 OD2 ASP A 40 32.058 -14.481 9.115 1.00 72.63 O +ATOM 320 N GLY A 41 28.314 -17.411 10.695 1.00 79.60 N +ATOM 321 CA GLY A 41 27.192 -17.007 11.546 1.00 79.60 C +ATOM 322 C GLY A 41 26.890 -15.506 11.564 1.00 81.29 C +ATOM 323 O GLY A 41 25.964 -15.128 12.279 1.00 78.48 O +ATOM 324 N THR A 42 27.581 -14.708 10.774 1.00 83.20 N +ATOM 325 CA THR A 42 27.358 -13.231 10.668 1.00 83.30 C +ATOM 326 C THR A 42 26.414 -12.861 9.540 1.00 83.96 C +ATOM 327 O THR A 42 26.382 -11.708 9.120 1.00 80.41 O +ATOM 328 CB THR A 42 28.679 -12.460 10.548 1.00 81.04 C +ATOM 329 OG1 THR A 42 29.305 -12.746 9.325 1.00 76.57 O +ATOM 330 CG2 THR A 42 29.607 -12.759 11.706 1.00 76.28 C +ATOM 331 N GLY A 43 25.685 -13.800 8.997 1.00 87.15 N +ATOM 332 CA GLY A 43 24.824 -13.626 7.855 1.00 87.43 C +ATOM 333 C GLY A 43 23.714 -12.585 8.025 1.00 88.42 C +ATOM 334 O GLY A 43 23.221 -12.327 9.104 1.00 86.51 O +ATOM 335 N GLU A 44 23.318 -12.018 6.907 1.00 90.39 N +ATOM 336 CA GLU A 44 22.281 -11.010 6.853 1.00 90.91 C +ATOM 337 C GLU A 44 20.893 -11.650 6.835 1.00 91.83 C +ATOM 338 O GLU A 44 20.634 -12.585 6.077 1.00 90.16 O +ATOM 339 CB GLU A 44 22.520 -10.133 5.621 1.00 88.67 C +ATOM 340 CG GLU A 44 21.514 -8.968 5.542 1.00 77.79 C +ATOM 341 CD GLU A 44 21.683 -8.069 4.327 1.00 73.49 C +ATOM 342 OE1 GLU A 44 21.046 -6.996 4.324 1.00 63.42 O +ATOM 343 OE2 GLU A 44 22.413 -8.418 3.371 1.00 60.03 O +ATOM 344 N MET A 45 19.951 -11.078 7.570 1.00 93.78 N +ATOM 345 CA MET A 45 18.543 -11.461 7.485 1.00 94.00 C +ATOM 346 C MET A 45 17.923 -10.876 6.228 1.00 94.45 C +ATOM 347 O MET A 45 17.991 -9.689 5.979 1.00 93.67 O +ATOM 348 CB MET A 45 17.785 -11.020 8.730 1.00 93.03 C +ATOM 349 CG MET A 45 18.300 -11.719 9.986 1.00 89.32 C +ATOM 350 SD MET A 45 18.127 -13.520 9.948 1.00 88.13 S +ATOM 351 CE MET A 45 19.282 -13.950 11.252 1.00 80.94 C +ATOM 352 N VAL A 46 17.270 -11.712 5.447 1.00 94.88 N +ATOM 353 CA VAL A 46 16.585 -11.336 4.212 1.00 94.96 C +ATOM 354 C VAL A 46 15.202 -11.961 4.140 1.00 95.04 C +ATOM 355 O VAL A 46 14.960 -13.060 4.634 1.00 94.74 O +ATOM 356 CB VAL A 46 17.414 -11.686 2.966 1.00 94.84 C +ATOM 357 CG1 VAL A 46 18.729 -10.901 2.924 1.00 94.41 C +ATOM 358 CG2 VAL A 46 17.751 -13.181 2.839 1.00 94.34 C +ATOM 359 N ALA A 47 14.289 -11.268 3.502 1.00 94.73 N +ATOM 360 CA ALA A 47 12.993 -11.832 3.141 1.00 94.59 C +ATOM 361 C ALA A 47 13.069 -12.374 1.717 1.00 94.66 C +ATOM 362 O ALA A 47 13.440 -11.681 0.790 1.00 94.46 O +ATOM 363 CB ALA A 47 11.914 -10.766 3.313 1.00 94.43 C +ATOM 364 N VAL A 48 12.698 -13.620 1.534 1.00 94.47 N +ATOM 365 CA VAL A 48 12.729 -14.286 0.239 1.00 94.44 C +ATOM 366 C VAL A 48 11.315 -14.658 -0.170 1.00 94.23 C +ATOM 367 O VAL A 48 10.654 -15.430 0.503 1.00 93.89 O +ATOM 368 CB VAL A 48 13.638 -15.518 0.264 1.00 94.42 C +ATOM 369 CG1 VAL A 48 15.058 -15.153 0.708 1.00 94.00 C +ATOM 370 CG2 VAL A 48 13.731 -16.163 -1.123 1.00 94.04 C +ATOM 371 N LYS A 49 10.877 -14.094 -1.289 1.00 92.27 N +ATOM 372 CA LYS A 49 9.602 -14.456 -1.904 1.00 92.06 C +ATOM 373 C LYS A 49 9.825 -15.445 -3.032 1.00 91.91 C +ATOM 374 O LYS A 49 10.605 -15.192 -3.949 1.00 91.44 O +ATOM 375 CB LYS A 49 8.863 -13.179 -2.359 1.00 91.60 C +ATOM 376 CG LYS A 49 7.410 -13.430 -2.802 1.00 90.50 C +ATOM 377 CD LYS A 49 6.700 -12.102 -3.089 1.00 89.19 C +ATOM 378 CE LYS A 49 5.236 -12.312 -3.477 1.00 87.16 C +ATOM 379 NZ LYS A 49 4.564 -11.030 -3.833 1.00 83.65 N1+ +ATOM 380 N ALA A 50 9.179 -16.574 -2.950 1.00 91.04 N +ATOM 381 CA ALA A 50 9.251 -17.648 -3.916 1.00 90.76 C +ATOM 382 C ALA A 50 7.895 -17.849 -4.600 1.00 90.59 C +ATOM 383 O ALA A 50 6.855 -17.903 -3.936 1.00 89.14 O +ATOM 384 CB ALA A 50 9.716 -18.917 -3.206 1.00 89.75 C +ATOM 385 N LEU A 51 7.900 -17.997 -5.892 1.00 82.12 N +ATOM 386 CA LEU A 51 6.723 -18.393 -6.664 1.00 82.15 C +ATOM 387 C LEU A 51 6.345 -19.841 -6.330 1.00 81.36 C +ATOM 388 O LEU A 51 7.220 -20.700 -6.204 1.00 79.68 O +ATOM 389 CB LEU A 51 7.031 -18.213 -8.160 1.00 80.84 C +ATOM 390 CG LEU A 51 5.818 -18.433 -9.079 1.00 78.56 C +ATOM 391 CD1 LEU A 51 6.267 -18.432 -10.538 1.00 77.44 C +ATOM 392 CD2 LEU A 51 4.775 -17.340 -8.901 1.00 76.70 C +ATOM 393 N LYS A 52 5.067 -20.113 -6.231 1.00 79.25 N +ATOM 394 CA LYS A 52 4.572 -21.484 -6.023 1.00 78.25 C +ATOM 395 C LYS A 52 4.992 -22.383 -7.191 1.00 77.94 C +ATOM 396 O LYS A 52 4.955 -21.966 -8.343 1.00 75.55 O +ATOM 397 CB LYS A 52 3.055 -21.469 -5.831 1.00 75.15 C +ATOM 398 CG LYS A 52 2.659 -20.738 -4.552 1.00 70.67 C +ATOM 399 CD LYS A 52 1.138 -20.751 -4.331 1.00 66.45 C +ATOM 400 CE LYS A 52 0.823 -19.984 -3.046 1.00 59.55 C +ATOM 401 NZ LYS A 52 -0.629 -19.960 -2.722 1.00 54.46 N1+ +ATOM 402 N ALA A 53 5.374 -23.590 -6.891 1.00 79.43 N +ATOM 403 CA ALA A 53 5.925 -24.521 -7.885 1.00 78.99 C +ATOM 404 C ALA A 53 4.926 -24.914 -8.989 1.00 78.98 C +ATOM 405 O ALA A 53 5.335 -25.125 -10.143 1.00 76.21 O +ATOM 406 CB ALA A 53 6.419 -25.757 -7.129 1.00 77.24 C +ATOM 407 N ASP A 54 3.675 -24.971 -8.663 1.00 78.24 N +ATOM 408 CA ASP A 54 2.563 -25.287 -9.561 1.00 78.38 C +ATOM 409 C ASP A 54 1.986 -24.065 -10.291 1.00 79.29 C +ATOM 410 O ASP A 54 0.985 -24.169 -11.003 1.00 76.12 O +ATOM 411 CB ASP A 54 1.483 -26.007 -8.741 1.00 75.99 C +ATOM 412 CG ASP A 54 0.892 -25.173 -7.608 1.00 75.06 C +ATOM 413 OD1 ASP A 54 1.588 -24.281 -7.092 1.00 66.73 O +ATOM 414 OD2 ASP A 54 -0.263 -25.473 -7.219 1.00 67.20 O +ATOM 415 N ALA A 55 2.610 -22.904 -10.147 1.00 78.72 N +ATOM 416 CA ALA A 55 2.157 -21.700 -10.795 1.00 79.78 C +ATOM 417 C ALA A 55 2.202 -21.796 -12.321 1.00 80.51 C +ATOM 418 O ALA A 55 3.228 -22.126 -12.933 1.00 76.59 O +ATOM 419 CB ALA A 55 2.985 -20.517 -10.286 1.00 76.55 C +ATOM 420 N GLY A 56 1.074 -21.489 -12.958 1.00 78.06 N +ATOM 421 CA GLY A 56 0.938 -21.492 -14.376 1.00 78.19 C +ATOM 422 C GLY A 56 1.733 -20.403 -15.096 1.00 79.55 C +ATOM 423 O GLY A 56 2.256 -19.482 -14.464 1.00 78.37 O +ATOM 424 N PRO A 57 1.784 -20.432 -16.425 1.00 81.73 N +ATOM 425 CA PRO A 57 2.570 -19.474 -17.214 1.00 81.71 C +ATOM 426 C PRO A 57 2.226 -18.008 -16.952 1.00 82.72 C +ATOM 427 O PRO A 57 3.090 -17.149 -16.934 1.00 81.67 O +ATOM 428 CB PRO A 57 2.303 -19.851 -18.668 1.00 79.57 C +ATOM 429 CG PRO A 57 1.969 -21.333 -18.599 1.00 79.57 C +ATOM 430 CD PRO A 57 1.239 -21.458 -17.267 1.00 82.18 C +ATOM 431 N GLN A 58 0.964 -17.739 -16.703 1.00 80.97 N +ATOM 432 CA GLN A 58 0.457 -16.388 -16.444 1.00 81.44 C +ATOM 433 C GLN A 58 1.003 -15.830 -15.122 1.00 81.81 C +ATOM 434 O GLN A 58 1.485 -14.694 -15.053 1.00 79.21 O +ATOM 435 CB GLN A 58 -1.070 -16.471 -16.451 1.00 78.90 C +ATOM 436 CG GLN A 58 -1.705 -15.119 -16.709 1.00 74.39 C +ATOM 437 CD GLN A 58 -3.232 -15.284 -16.790 1.00 69.88 C +ATOM 438 OE1 GLN A 58 -3.794 -16.189 -16.216 1.00 59.26 O +ATOM 439 NE2 GLN A 58 -3.905 -14.436 -17.482 1.00 57.59 N +ATOM 440 N HIS A 59 1.036 -16.657 -14.091 1.00 82.47 N +ATOM 441 CA HIS A 59 1.649 -16.298 -12.811 1.00 83.25 C +ATOM 442 C HIS A 59 3.156 -16.128 -12.919 1.00 83.97 C +ATOM 443 O HIS A 59 3.713 -15.230 -12.288 1.00 82.33 O +ATOM 444 CB HIS A 59 1.305 -17.336 -11.757 1.00 81.47 C +ATOM 445 CG HIS A 59 -0.139 -17.344 -11.368 1.00 81.43 C +ATOM 446 ND1 HIS A 59 -0.871 -16.228 -10.992 1.00 70.70 N1+ +ATOM 447 CD2 HIS A 59 -0.977 -18.425 -11.305 1.00 71.42 C +ATOM 448 CE1 HIS A 59 -2.120 -16.626 -10.700 1.00 70.62 C +ATOM 449 NE2 HIS A 59 -2.225 -17.957 -10.889 1.00 72.32 N +ATOM 450 N ARG A 60 3.815 -16.900 -13.739 1.00 81.69 N +ATOM 451 CA ARG A 60 5.249 -16.735 -13.990 1.00 82.29 C +ATOM 452 C ARG A 60 5.572 -15.428 -14.695 1.00 82.94 C +ATOM 453 O ARG A 60 6.576 -14.798 -14.380 1.00 83.06 O +ATOM 454 CB ARG A 60 5.771 -17.917 -14.816 1.00 81.63 C +ATOM 455 CG ARG A 60 5.708 -19.232 -14.020 1.00 78.98 C +ATOM 456 CD ARG A 60 6.217 -20.400 -14.884 1.00 79.86 C +ATOM 457 NE ARG A 60 6.161 -21.672 -14.135 1.00 75.82 N +ATOM 458 CZ ARG A 60 7.097 -22.116 -13.295 1.00 71.01 C +ATOM 459 NH1 ARG A 60 8.233 -21.495 -13.116 1.00 66.77 N +ATOM 460 NH2 ARG A 60 6.883 -23.198 -12.626 1.00 68.28 N1+ +ATOM 461 N SER A 61 4.741 -15.021 -15.630 1.00 81.45 N +ATOM 462 CA SER A 61 4.874 -13.728 -16.292 1.00 81.04 C +ATOM 463 C SER A 61 4.664 -12.575 -15.295 1.00 81.81 C +ATOM 464 O SER A 61 5.509 -11.686 -15.197 1.00 78.81 O +ATOM 465 CB SER A 61 3.894 -13.622 -17.455 1.00 78.08 C +ATOM 466 OG SER A 61 4.136 -12.436 -18.190 1.00 70.08 O +ATOM 467 N GLY A 62 3.622 -12.640 -14.516 1.00 83.81 N +ATOM 468 CA GLY A 62 3.362 -11.663 -13.456 1.00 84.19 C +ATOM 469 C GLY A 62 4.481 -11.597 -12.419 1.00 85.51 C +ATOM 470 O GLY A 62 4.865 -10.509 -11.993 1.00 83.53 O +ATOM 471 N TRP A 63 5.052 -12.731 -12.085 1.00 87.72 N +ATOM 472 CA TRP A 63 6.184 -12.825 -11.163 1.00 88.96 C +ATOM 473 C TRP A 63 7.437 -12.126 -11.683 1.00 90.11 C +ATOM 474 O TRP A 63 8.079 -11.365 -10.942 1.00 90.34 O +ATOM 475 CB TRP A 63 6.474 -14.305 -10.899 1.00 88.42 C +ATOM 476 CG TRP A 63 7.631 -14.552 -9.995 1.00 89.07 C +ATOM 477 CD1 TRP A 63 8.690 -15.336 -10.242 1.00 86.21 C +ATOM 478 CD2 TRP A 63 7.846 -13.992 -8.668 1.00 87.56 C +ATOM 479 NE1 TRP A 63 9.552 -15.336 -9.145 1.00 84.39 N +ATOM 480 CE2 TRP A 63 9.063 -14.500 -8.164 1.00 85.91 C +ATOM 481 CE3 TRP A 63 7.116 -13.098 -7.848 1.00 84.92 C +ATOM 482 CZ2 TRP A 63 9.553 -14.152 -6.883 1.00 82.24 C +ATOM 483 CZ3 TRP A 63 7.597 -12.734 -6.590 1.00 76.65 C +ATOM 484 CH2 TRP A 63 8.807 -13.264 -6.116 1.00 76.99 C +ATOM 485 N LYS A 64 7.775 -12.314 -12.927 1.00 87.59 N +ATOM 486 CA LYS A 64 8.893 -11.598 -13.569 1.00 87.73 C +ATOM 487 C LYS A 64 8.658 -10.098 -13.560 1.00 88.44 C +ATOM 488 O LYS A 64 9.570 -9.352 -13.212 1.00 86.56 O +ATOM 489 CB LYS A 64 9.136 -12.077 -15.002 1.00 85.26 C +ATOM 490 CG LYS A 64 9.845 -13.427 -15.035 1.00 75.78 C +ATOM 491 CD LYS A 64 10.153 -13.821 -16.502 1.00 71.03 C +ATOM 492 CE LYS A 64 10.951 -15.119 -16.549 1.00 62.78 C +ATOM 493 NZ LYS A 64 11.327 -15.472 -17.961 1.00 55.01 N1+ +ATOM 494 N GLN A 65 7.459 -9.658 -13.862 1.00 89.19 N +ATOM 495 CA GLN A 65 7.109 -8.244 -13.798 1.00 89.75 C +ATOM 496 C GLN A 65 7.242 -7.668 -12.387 1.00 90.76 C +ATOM 497 O GLN A 65 7.752 -6.571 -12.242 1.00 90.24 O +ATOM 498 CB GLN A 65 5.679 -8.019 -14.306 1.00 88.13 C +ATOM 499 CG GLN A 65 5.563 -8.234 -15.805 1.00 80.64 C +ATOM 500 CD GLN A 65 4.141 -8.019 -16.347 1.00 78.08 C +ATOM 501 OE1 GLN A 65 3.164 -7.968 -15.618 1.00 67.98 O +ATOM 502 NE2 GLN A 65 4.010 -7.891 -17.636 1.00 67.14 N +ATOM 503 N GLU A 66 6.842 -8.393 -11.371 1.00 90.47 N +ATOM 504 CA GLU A 66 7.020 -7.950 -9.977 1.00 91.00 C +ATOM 505 C GLU A 66 8.499 -7.740 -9.644 1.00 91.46 C +ATOM 506 O GLU A 66 8.863 -6.713 -9.079 1.00 89.86 O +ATOM 507 CB GLU A 66 6.375 -8.965 -9.012 1.00 89.04 C +ATOM 508 CG GLU A 66 6.526 -8.553 -7.545 1.00 82.30 C +ATOM 509 CD GLU A 66 5.842 -9.483 -6.528 1.00 81.90 C +ATOM 510 OE1 GLU A 66 5.967 -9.237 -5.330 1.00 67.55 O +ATOM 511 OE2 GLU A 66 5.170 -10.467 -6.919 1.00 65.37 O +ATOM 512 N ILE A 67 9.332 -8.671 -10.035 1.00 93.58 N +ATOM 513 CA ILE A 67 10.785 -8.567 -9.830 1.00 93.86 C +ATOM 514 C ILE A 67 11.351 -7.378 -10.591 1.00 93.84 C +ATOM 515 O ILE A 67 12.128 -6.604 -10.027 1.00 93.51 O +ATOM 516 CB ILE A 67 11.486 -9.881 -10.233 1.00 93.82 C +ATOM 517 CG1 ILE A 67 11.078 -11.018 -9.282 1.00 93.17 C +ATOM 518 CG2 ILE A 67 13.014 -9.706 -10.223 1.00 93.14 C +ATOM 519 CD1 ILE A 67 11.558 -12.407 -9.726 1.00 90.95 C +ATOM 520 N ASP A 68 10.975 -7.217 -11.846 1.00 93.63 N +ATOM 521 CA ASP A 68 11.480 -6.138 -12.693 1.00 93.54 C +ATOM 522 C ASP A 68 11.063 -4.767 -12.169 1.00 93.80 C +ATOM 523 O ASP A 68 11.901 -3.870 -12.104 1.00 92.86 O +ATOM 524 CB ASP A 68 11.017 -6.348 -14.144 1.00 92.73 C +ATOM 525 CG ASP A 68 11.720 -7.516 -14.850 1.00 89.83 C +ATOM 526 OD1 ASP A 68 12.839 -7.886 -14.423 1.00 84.97 O +ATOM 527 OD2 ASP A 68 11.134 -8.011 -15.850 1.00 82.86 O +ATOM 528 N ILE A 69 9.832 -4.627 -11.718 1.00 94.41 N +ATOM 529 CA ILE A 69 9.363 -3.391 -11.095 1.00 94.51 C +ATOM 530 C ILE A 69 10.181 -3.113 -9.842 1.00 94.61 C +ATOM 531 O ILE A 69 10.846 -2.079 -9.773 1.00 94.37 O +ATOM 532 CB ILE A 69 7.847 -3.457 -10.802 1.00 94.56 C +ATOM 533 CG1 ILE A 69 7.056 -3.392 -12.121 1.00 94.04 C +ATOM 534 CG2 ILE A 69 7.403 -2.305 -9.877 1.00 94.17 C +ATOM 535 CD1 ILE A 69 5.568 -3.764 -11.983 1.00 92.10 C +ATOM 536 N LEU A 70 10.204 -4.027 -8.884 1.00 95.44 N +ATOM 537 CA LEU A 70 10.876 -3.787 -7.608 1.00 95.41 C +ATOM 538 C LEU A 70 12.372 -3.492 -7.776 1.00 95.43 C +ATOM 539 O LEU A 70 12.910 -2.655 -7.053 1.00 94.88 O +ATOM 540 CB LEU A 70 10.631 -4.982 -6.676 1.00 95.05 C +ATOM 541 CG LEU A 70 11.099 -4.734 -5.229 1.00 93.83 C +ATOM 542 CD1 LEU A 70 10.897 -5.982 -4.383 1.00 92.55 C +ATOM 543 CD2 LEU A 70 10.313 -3.605 -4.559 1.00 91.93 C +ATOM 544 N ARG A 71 13.007 -4.086 -8.753 1.00 94.99 N +ATOM 545 CA ARG A 71 14.407 -3.818 -9.103 1.00 94.83 C +ATOM 546 C ARG A 71 14.667 -2.360 -9.478 1.00 95.09 C +ATOM 547 O ARG A 71 15.767 -1.880 -9.246 1.00 94.18 O +ATOM 548 CB ARG A 71 14.807 -4.774 -10.250 1.00 93.64 C +ATOM 549 CG ARG A 71 16.269 -4.615 -10.668 1.00 87.14 C +ATOM 550 CD ARG A 71 16.626 -5.566 -11.818 1.00 83.69 C +ATOM 551 NE ARG A 71 16.799 -6.940 -11.324 1.00 78.86 N +ATOM 552 CZ ARG A 71 17.071 -8.018 -12.059 1.00 75.56 C +ATOM 553 NH1 ARG A 71 17.138 -7.965 -13.344 1.00 69.42 N +ATOM 554 NH2 ARG A 71 17.250 -9.165 -11.497 1.00 68.61 N1+ +ATOM 555 N THR A 72 13.696 -1.685 -10.049 1.00 94.06 N +ATOM 556 CA THR A 72 13.844 -0.288 -10.486 1.00 93.70 C +ATOM 557 C THR A 72 13.564 0.735 -9.386 1.00 93.93 C +ATOM 558 O THR A 72 13.853 1.914 -9.566 1.00 92.65 O +ATOM 559 CB THR A 72 12.965 0.030 -11.707 1.00 92.18 C +ATOM 560 OG1 THR A 72 11.577 0.020 -11.397 1.00 84.84 O +ATOM 561 CG2 THR A 72 13.200 -0.905 -12.875 1.00 83.40 C +ATOM 562 N LEU A 73 13.006 0.318 -8.269 1.00 95.02 N +ATOM 563 CA LEU A 73 12.518 1.211 -7.225 1.00 95.02 C +ATOM 564 C LEU A 73 13.574 1.435 -6.129 1.00 95.02 C +ATOM 565 O LEU A 73 14.090 0.491 -5.538 1.00 94.61 O +ATOM 566 CB LEU A 73 11.210 0.661 -6.629 1.00 95.08 C +ATOM 567 CG LEU A 73 10.054 0.506 -7.642 1.00 94.87 C +ATOM 568 CD1 LEU A 73 8.836 -0.071 -6.934 1.00 94.50 C +ATOM 569 CD2 LEU A 73 9.666 1.822 -8.297 1.00 94.22 C +ATOM 570 N TYR A 74 13.822 2.698 -5.831 1.00 95.54 N +ATOM 571 CA TYR A 74 14.744 3.127 -4.777 1.00 95.09 C +ATOM 572 C TYR A 74 14.147 4.295 -4.000 1.00 95.29 C +ATOM 573 O TYR A 74 14.277 5.445 -4.369 1.00 94.08 O +ATOM 574 CB TYR A 74 16.100 3.519 -5.366 1.00 93.61 C +ATOM 575 CG TYR A 74 16.854 2.361 -5.979 1.00 86.74 C +ATOM 576 CD1 TYR A 74 17.690 1.558 -5.172 1.00 80.89 C +ATOM 577 CD2 TYR A 74 16.723 2.069 -7.347 1.00 77.64 C +ATOM 578 CE1 TYR A 74 18.372 0.471 -5.731 1.00 71.87 C +ATOM 579 CE2 TYR A 74 17.398 0.989 -7.914 1.00 68.83 C +ATOM 580 CZ TYR A 74 18.232 0.195 -7.104 1.00 67.12 C +ATOM 581 OH TYR A 74 18.881 -0.876 -7.656 1.00 65.07 O +ATOM 582 N HIS A 75 13.496 3.974 -2.907 1.00 96.21 N +ATOM 583 CA HIS A 75 12.898 4.973 -2.025 1.00 96.14 C +ATOM 584 C HIS A 75 12.864 4.453 -0.585 1.00 96.22 C +ATOM 585 O HIS A 75 12.674 3.257 -0.356 1.00 95.90 O +ATOM 586 CB HIS A 75 11.510 5.324 -2.534 1.00 96.01 C +ATOM 587 CG HIS A 75 10.925 6.526 -1.867 1.00 95.85 C +ATOM 588 ND1 HIS A 75 10.111 6.532 -0.754 1.00 94.73 N1+ +ATOM 589 CD2 HIS A 75 11.141 7.831 -2.213 1.00 94.57 C +ATOM 590 CE1 HIS A 75 9.849 7.801 -0.437 1.00 94.20 C +ATOM 591 NE2 HIS A 75 10.455 8.615 -1.303 1.00 94.50 N +ATOM 592 N GLU A 76 13.032 5.329 0.395 1.00 96.33 N +ATOM 593 CA GLU A 76 13.109 4.939 1.804 1.00 96.12 C +ATOM 594 C GLU A 76 11.806 4.322 2.331 1.00 96.41 C +ATOM 595 O GLU A 76 11.847 3.509 3.252 1.00 95.94 O +ATOM 596 CB GLU A 76 13.551 6.134 2.656 1.00 95.17 C +ATOM 597 CG GLU A 76 12.558 7.290 2.657 1.00 89.22 C +ATOM 598 CD GLU A 76 13.057 8.491 3.466 1.00 84.76 C +ATOM 599 OE1 GLU A 76 12.804 9.641 3.033 1.00 71.00 O +ATOM 600 OE2 GLU A 76 13.698 8.273 4.523 1.00 67.71 O +ATOM 601 N HIS A 77 10.692 4.645 1.716 1.00 96.53 N +ATOM 602 CA HIS A 77 9.370 4.108 2.053 1.00 96.63 C +ATOM 603 C HIS A 77 8.892 2.983 1.123 1.00 96.78 C +ATOM 604 O HIS A 77 7.709 2.649 1.100 1.00 96.61 O +ATOM 605 CB HIS A 77 8.352 5.238 2.150 1.00 96.51 C +ATOM 606 CG HIS A 77 8.753 6.271 3.157 1.00 96.37 C +ATOM 607 ND1 HIS A 77 9.180 6.020 4.454 1.00 95.60 N1+ +ATOM 608 CD2 HIS A 77 8.833 7.622 2.968 1.00 95.35 C +ATOM 609 CE1 HIS A 77 9.504 7.188 5.019 1.00 94.83 C +ATOM 610 NE2 HIS A 77 9.306 8.182 4.138 1.00 95.05 N +ATOM 611 N ILE A 78 9.779 2.385 0.366 1.00 96.65 N +ATOM 612 CA ILE A 78 9.520 1.176 -0.425 1.00 96.60 C +ATOM 613 C ILE A 78 10.486 0.078 0.020 1.00 96.63 C +ATOM 614 O ILE A 78 11.667 0.332 0.252 1.00 96.32 O +ATOM 615 CB ILE A 78 9.602 1.488 -1.932 1.00 96.43 C +ATOM 616 CG1 ILE A 78 8.440 2.427 -2.319 1.00 95.72 C +ATOM 617 CG2 ILE A 78 9.574 0.204 -2.785 1.00 95.49 C +ATOM 618 CD1 ILE A 78 8.417 2.858 -3.784 1.00 93.57 C +ATOM 619 N ILE A 79 9.993 -1.135 0.114 1.00 96.20 N +ATOM 620 CA ILE A 79 10.839 -2.282 0.457 1.00 96.12 C +ATOM 621 C ILE A 79 11.987 -2.406 -0.539 1.00 96.30 C +ATOM 622 O ILE A 79 11.805 -2.338 -1.750 1.00 95.87 O +ATOM 623 CB ILE A 79 9.997 -3.566 0.570 1.00 95.51 C +ATOM 624 CG1 ILE A 79 10.837 -4.664 1.225 1.00 91.44 C +ATOM 625 CG2 ILE A 79 9.428 -4.024 -0.789 1.00 90.35 C +ATOM 626 CD1 ILE A 79 10.037 -5.902 1.625 1.00 84.69 C +ATOM 627 N LYS A 80 13.174 -2.582 -0.020 1.00 95.74 N +ATOM 628 CA LYS A 80 14.391 -2.608 -0.831 1.00 95.54 C +ATOM 629 C LYS A 80 14.570 -3.951 -1.527 1.00 95.86 C +ATOM 630 O LYS A 80 14.646 -4.993 -0.872 1.00 95.42 O +ATOM 631 CB LYS A 80 15.598 -2.232 0.045 1.00 94.58 C +ATOM 632 CG LYS A 80 16.874 -2.089 -0.771 1.00 88.38 C +ATOM 633 CD LYS A 80 18.034 -1.624 0.130 1.00 83.74 C +ATOM 634 CE LYS A 80 19.310 -1.503 -0.698 1.00 76.33 C +ATOM 635 NZ LYS A 80 20.421 -0.973 0.114 1.00 69.08 N1+ +ATOM 636 N TYR A 81 14.698 -3.910 -2.848 1.00 95.23 N +ATOM 637 CA TYR A 81 15.217 -5.035 -3.619 1.00 95.31 C +ATOM 638 C TYR A 81 16.676 -5.278 -3.259 1.00 95.27 C +ATOM 639 O TYR A 81 17.476 -4.344 -3.196 1.00 94.86 O +ATOM 640 CB TYR A 81 15.079 -4.716 -5.111 1.00 95.27 C +ATOM 641 CG TYR A 81 15.692 -5.757 -6.016 1.00 95.31 C +ATOM 642 CD1 TYR A 81 14.987 -6.925 -6.341 1.00 94.87 C +ATOM 643 CD2 TYR A 81 16.979 -5.554 -6.534 1.00 94.92 C +ATOM 644 CE1 TYR A 81 15.555 -7.882 -7.205 1.00 94.39 C +ATOM 645 CE2 TYR A 81 17.552 -6.506 -7.394 1.00 94.37 C +ATOM 646 CZ TYR A 81 16.836 -7.659 -7.738 1.00 94.51 C +ATOM 647 OH TYR A 81 17.383 -8.585 -8.602 1.00 93.73 O +ATOM 648 N LYS A 82 17.033 -6.513 -3.030 1.00 95.40 N +ATOM 649 CA LYS A 82 18.417 -6.928 -2.799 1.00 95.05 C +ATOM 650 C LYS A 82 18.998 -7.764 -3.936 1.00 95.15 C +ATOM 651 O LYS A 82 20.176 -7.649 -4.251 1.00 94.18 O +ATOM 652 CB LYS A 82 18.521 -7.681 -1.481 1.00 94.06 C +ATOM 653 CG LYS A 82 18.351 -6.743 -0.299 1.00 89.61 C +ATOM 654 CD LYS A 82 18.888 -7.372 0.962 1.00 86.76 C +ATOM 655 CE LYS A 82 19.038 -6.305 2.031 1.00 82.27 C +ATOM 656 NZ LYS A 82 20.167 -6.594 2.922 1.00 77.20 N1+ +ATOM 657 N GLY A 83 18.162 -8.577 -4.545 1.00 94.75 N +ATOM 658 CA GLY A 83 18.585 -9.406 -5.646 1.00 94.60 C +ATOM 659 C GLY A 83 17.652 -10.574 -5.909 1.00 94.83 C +ATOM 660 O GLY A 83 16.502 -10.607 -5.461 1.00 94.34 O +ATOM 661 N CYS A 84 18.164 -11.545 -6.649 1.00 92.78 N +ATOM 662 CA CYS A 84 17.466 -12.778 -6.937 1.00 92.69 C +ATOM 663 C CYS A 84 18.330 -13.994 -6.572 1.00 92.63 C +ATOM 664 O CYS A 84 19.560 -13.953 -6.622 1.00 91.41 O +ATOM 665 CB CYS A 84 17.073 -12.803 -8.411 1.00 91.87 C +ATOM 666 SG CYS A 84 15.736 -11.625 -8.720 1.00 89.25 S +ATOM 667 N CYS A 85 17.659 -15.061 -6.298 1.00 91.14 N +ATOM 668 CA CYS A 85 18.287 -16.369 -6.157 1.00 90.92 C +ATOM 669 C CYS A 85 17.666 -17.339 -7.161 1.00 90.68 C +ATOM 670 O CYS A 85 16.456 -17.357 -7.343 1.00 88.94 O +ATOM 671 CB CYS A 85 18.071 -16.858 -4.720 1.00 89.47 C +ATOM 672 SG CYS A 85 18.852 -18.469 -4.467 1.00 85.57 S +ATOM 673 N GLU A 86 18.500 -18.138 -7.833 1.00 88.16 N +ATOM 674 CA GLU A 86 17.995 -19.198 -8.688 1.00 86.83 C +ATOM 675 C GLU A 86 17.252 -20.261 -7.861 1.00 86.95 C +ATOM 676 O GLU A 86 17.789 -20.771 -6.871 1.00 83.89 O +ATOM 677 CB GLU A 86 19.119 -19.867 -9.476 1.00 83.87 C +ATOM 678 CG GLU A 86 19.700 -18.956 -10.542 1.00 77.59 C +ATOM 679 CD GLU A 86 20.702 -19.666 -11.468 1.00 76.43 C +ATOM 680 OE1 GLU A 86 21.063 -19.065 -12.501 1.00 65.36 O +ATOM 681 OE2 GLU A 86 21.108 -20.802 -11.166 1.00 64.44 O +ATOM 682 N ASP A 87 16.066 -20.600 -8.297 1.00 85.27 N +ATOM 683 CA ASP A 87 15.277 -21.660 -7.720 1.00 84.93 C +ATOM 684 C ASP A 87 15.007 -22.747 -8.761 1.00 84.94 C +ATOM 685 O ASP A 87 13.989 -22.754 -9.456 1.00 82.02 O +ATOM 686 CB ASP A 87 14.001 -21.106 -7.091 1.00 82.67 C +ATOM 687 CG ASP A 87 13.243 -22.180 -6.303 1.00 82.73 C +ATOM 688 OD1 ASP A 87 13.669 -23.338 -6.298 1.00 77.40 O +ATOM 689 OD2 ASP A 87 12.235 -21.826 -5.681 1.00 77.63 O +ATOM 690 N ALA A 88 15.928 -23.656 -8.840 1.00 85.44 N +ATOM 691 CA ALA A 88 15.827 -24.794 -9.761 1.00 84.93 C +ATOM 692 C ALA A 88 14.615 -25.693 -9.439 1.00 85.08 C +ATOM 693 O ALA A 88 14.041 -26.276 -10.358 1.00 81.41 O +ATOM 694 CB ALA A 88 17.130 -25.580 -9.700 1.00 82.90 C +ATOM 695 N GLY A 89 14.212 -25.754 -8.178 1.00 83.20 N +ATOM 696 CA GLY A 89 13.058 -26.560 -7.780 1.00 82.60 C +ATOM 697 C GLY A 89 11.743 -26.050 -8.324 1.00 83.57 C +ATOM 698 O GLY A 89 10.890 -26.843 -8.717 1.00 80.54 O +ATOM 699 N ALA A 90 11.592 -24.732 -8.421 1.00 81.87 N +ATOM 700 CA ALA A 90 10.398 -24.104 -8.998 1.00 82.01 C +ATOM 701 C ALA A 90 10.575 -23.697 -10.474 1.00 83.08 C +ATOM 702 O ALA A 90 9.657 -23.119 -11.060 1.00 79.18 O +ATOM 703 CB ALA A 90 10.013 -22.924 -8.109 1.00 78.88 C +ATOM 704 N ALA A 91 11.718 -23.945 -11.056 1.00 82.69 N +ATOM 705 CA ALA A 91 12.087 -23.453 -12.401 1.00 83.16 C +ATOM 706 C ALA A 91 11.872 -21.949 -12.569 1.00 84.82 C +ATOM 707 O ALA A 91 11.375 -21.471 -13.598 1.00 82.41 O +ATOM 708 CB ALA A 91 11.414 -24.300 -13.465 1.00 80.34 C +ATOM 709 N SER A 92 12.205 -21.174 -11.540 1.00 85.66 N +ATOM 710 CA SER A 92 11.984 -19.724 -11.462 1.00 86.12 C +ATOM 711 C SER A 92 13.053 -19.067 -10.601 1.00 87.30 C +ATOM 712 O SER A 92 13.906 -19.729 -10.022 1.00 86.05 O +ATOM 713 CB SER A 92 10.589 -19.446 -10.923 1.00 83.55 C +ATOM 714 OG SER A 92 10.436 -19.856 -9.576 1.00 76.66 O +ATOM 715 N LEU A 93 12.985 -17.746 -10.500 1.00 89.32 N +ATOM 716 CA LEU A 93 13.798 -16.981 -9.567 1.00 90.21 C +ATOM 717 C LEU A 93 13.034 -16.743 -8.257 1.00 90.82 C +ATOM 718 O LEU A 93 11.827 -16.519 -8.265 1.00 89.69 O +ATOM 719 CB LEU A 93 14.226 -15.654 -10.212 1.00 88.64 C +ATOM 720 CG LEU A 93 15.095 -15.798 -11.459 1.00 83.50 C +ATOM 721 CD1 LEU A 93 15.387 -14.409 -12.038 1.00 80.07 C +ATOM 722 CD2 LEU A 93 16.433 -16.455 -11.156 1.00 78.86 C +ATOM 723 N GLN A 94 13.754 -16.748 -7.179 1.00 92.53 N +ATOM 724 CA GLN A 94 13.298 -16.228 -5.901 1.00 92.63 C +ATOM 725 C GLN A 94 13.704 -14.764 -5.776 1.00 93.03 C +ATOM 726 O GLN A 94 14.845 -14.406 -6.055 1.00 92.44 O +ATOM 727 CB GLN A 94 13.875 -17.041 -4.750 1.00 92.08 C +ATOM 728 CG GLN A 94 13.435 -18.502 -4.810 1.00 90.23 C +ATOM 729 CD GLN A 94 13.977 -19.318 -3.640 1.00 89.23 C +ATOM 730 OE1 GLN A 94 15.175 -19.431 -3.443 1.00 83.59 O +ATOM 731 NE2 GLN A 94 13.121 -19.908 -2.855 1.00 81.01 N +ATOM 732 N LEU A 95 12.774 -13.914 -5.336 1.00 93.92 N +ATOM 733 CA LEU A 95 13.040 -12.511 -5.075 1.00 94.13 C +ATOM 734 C LEU A 95 13.589 -12.345 -3.660 1.00 94.26 C +ATOM 735 O LEU A 95 12.921 -12.726 -2.698 1.00 93.96 O +ATOM 736 CB LEU A 95 11.723 -11.751 -5.287 1.00 93.92 C +ATOM 737 CG LEU A 95 11.734 -10.276 -4.838 1.00 93.01 C +ATOM 738 CD1 LEU A 95 10.351 -9.666 -5.076 1.00 91.99 C +ATOM 739 CD2 LEU A 95 12.756 -9.435 -5.594 1.00 91.68 C +ATOM 740 N VAL A 96 14.742 -11.753 -3.524 1.00 95.50 N +ATOM 741 CA VAL A 96 15.368 -11.432 -2.246 1.00 95.56 C +ATOM 742 C VAL A 96 15.198 -9.949 -1.952 1.00 95.55 C +ATOM 743 O VAL A 96 15.597 -9.092 -2.736 1.00 95.21 O +ATOM 744 CB VAL A 96 16.847 -11.854 -2.215 1.00 95.46 C +ATOM 745 CG1 VAL A 96 17.023 -13.308 -2.618 1.00 94.92 C +ATOM 746 CG2 VAL A 96 17.424 -11.674 -0.804 1.00 94.83 C +ATOM 747 N MET A 97 14.602 -9.634 -0.823 1.00 95.69 N +ATOM 748 CA MET A 97 14.309 -8.294 -0.351 1.00 95.58 C +ATOM 749 C MET A 97 14.908 -8.086 1.041 1.00 95.69 C +ATOM 750 O MET A 97 15.241 -9.049 1.733 1.00 95.28 O +ATOM 751 CB MET A 97 12.789 -8.097 -0.277 1.00 94.90 C +ATOM 752 CG MET A 97 12.067 -8.392 -1.590 1.00 91.37 C +ATOM 753 SD MET A 97 10.261 -8.390 -1.488 1.00 89.11 S +ATOM 754 CE MET A 97 9.978 -9.880 -0.522 1.00 78.79 C +ATOM 755 N GLU A 98 14.995 -6.829 1.466 1.00 95.29 N +ATOM 756 CA GLU A 98 15.317 -6.556 2.868 1.00 95.02 C +ATOM 757 C GLU A 98 14.273 -7.191 3.784 1.00 95.12 C +ATOM 758 O GLU A 98 13.093 -7.251 3.467 1.00 94.47 O +ATOM 759 CB GLU A 98 15.478 -5.052 3.113 1.00 94.26 C +ATOM 760 CG GLU A 98 14.144 -4.275 3.088 1.00 91.37 C +ATOM 761 CD GLU A 98 14.315 -2.770 3.290 1.00 90.10 C +ATOM 762 OE1 GLU A 98 13.672 -1.991 2.578 1.00 77.38 O +ATOM 763 OE2 GLU A 98 15.116 -2.350 4.166 1.00 75.40 O +ATOM 764 N TYR A 99 14.727 -7.666 4.924 1.00 95.41 N +ATOM 765 CA TYR A 99 13.835 -8.106 5.982 1.00 95.50 C +ATOM 766 C TYR A 99 13.419 -6.910 6.830 1.00 95.50 C +ATOM 767 O TYR A 99 14.261 -6.225 7.401 1.00 95.13 O +ATOM 768 CB TYR A 99 14.540 -9.164 6.808 1.00 95.42 C +ATOM 769 CG TYR A 99 13.787 -9.547 8.059 1.00 95.55 C +ATOM 770 CD1 TYR A 99 12.507 -10.122 7.964 1.00 95.14 C +ATOM 771 CD2 TYR A 99 14.350 -9.309 9.324 1.00 94.91 C +ATOM 772 CE1 TYR A 99 11.798 -10.478 9.133 1.00 94.39 C +ATOM 773 CE2 TYR A 99 13.646 -9.649 10.494 1.00 94.46 C +ATOM 774 CZ TYR A 99 12.380 -10.237 10.391 1.00 94.52 C +ATOM 775 OH TYR A 99 11.695 -10.592 11.540 1.00 93.95 O +ATOM 776 N VAL A 100 12.132 -6.667 6.938 1.00 95.52 N +ATOM 777 CA VAL A 100 11.565 -5.591 7.749 1.00 95.42 C +ATOM 778 C VAL A 100 11.065 -6.166 9.075 1.00 95.47 C +ATOM 779 O VAL A 100 10.129 -6.965 9.076 1.00 95.18 O +ATOM 780 CB VAL A 100 10.475 -4.837 6.979 1.00 95.16 C +ATOM 781 CG1 VAL A 100 10.979 -4.363 5.616 1.00 94.42 C +ATOM 782 CG2 VAL A 100 10.040 -3.599 7.751 1.00 94.33 C +ATOM 783 N PRO A 101 11.680 -5.817 10.215 1.00 95.53 N +ATOM 784 CA PRO A 101 11.607 -6.645 11.416 1.00 95.30 C +ATOM 785 C PRO A 101 10.285 -6.609 12.178 1.00 95.39 C +ATOM 786 O PRO A 101 9.972 -7.577 12.876 1.00 94.77 O +ATOM 787 CB PRO A 101 12.767 -6.167 12.293 1.00 94.64 C +ATOM 788 CG PRO A 101 13.030 -4.740 11.842 1.00 93.23 C +ATOM 789 CD PRO A 101 12.726 -4.808 10.359 1.00 94.10 C +ATOM 790 N LEU A 102 9.502 -5.541 12.056 1.00 95.90 N +ATOM 791 CA LEU A 102 8.253 -5.394 12.818 1.00 95.87 C +ATOM 792 C LEU A 102 7.017 -5.927 12.083 1.00 95.94 C +ATOM 793 O LEU A 102 5.942 -5.987 12.672 1.00 95.42 O +ATOM 794 CB LEU A 102 8.088 -3.945 13.270 1.00 95.61 C +ATOM 795 CG LEU A 102 9.244 -3.395 14.142 1.00 94.98 C +ATOM 796 CD1 LEU A 102 8.923 -1.973 14.608 1.00 94.36 C +ATOM 797 CD2 LEU A 102 9.487 -4.235 15.396 1.00 93.99 C +ATOM 798 N GLY A 103 7.144 -6.370 10.846 1.00 95.38 N +ATOM 799 CA GLY A 103 6.054 -6.948 10.058 1.00 95.20 C +ATOM 800 C GLY A 103 5.058 -5.923 9.540 1.00 95.48 C +ATOM 801 O GLY A 103 5.340 -4.734 9.484 1.00 95.04 O +ATOM 802 N SER A 104 3.895 -6.366 9.118 1.00 95.25 N +ATOM 803 CA SER A 104 2.874 -5.492 8.533 1.00 95.18 C +ATOM 804 C SER A 104 2.176 -4.627 9.581 1.00 95.43 C +ATOM 805 O SER A 104 1.951 -5.062 10.714 1.00 95.08 O +ATOM 806 CB SER A 104 1.849 -6.308 7.742 1.00 94.56 C +ATOM 807 OG SER A 104 1.009 -7.058 8.597 1.00 92.24 O +ATOM 808 N LEU A 105 1.745 -3.448 9.178 1.00 95.75 N +ATOM 809 CA LEU A 105 0.924 -2.587 10.036 1.00 95.70 C +ATOM 810 C LEU A 105 -0.356 -3.289 10.484 1.00 95.76 C +ATOM 811 O LEU A 105 -0.752 -3.126 11.631 1.00 95.51 O +ATOM 812 CB LEU A 105 0.584 -1.284 9.303 1.00 95.53 C +ATOM 813 CG LEU A 105 1.752 -0.299 9.151 1.00 94.91 C +ATOM 814 CD1 LEU A 105 1.264 0.955 8.420 1.00 94.40 C +ATOM 815 CD2 LEU A 105 2.300 0.159 10.516 1.00 93.99 C +ATOM 816 N ARG A 106 -0.947 -4.110 9.643 1.00 95.87 N +ATOM 817 CA ARG A 106 -2.141 -4.894 9.981 1.00 95.70 C +ATOM 818 C ARG A 106 -1.929 -5.808 11.184 1.00 95.79 C +ATOM 819 O ARG A 106 -2.837 -5.961 11.989 1.00 95.36 O +ATOM 820 CB ARG A 106 -2.586 -5.721 8.775 1.00 95.11 C +ATOM 821 CG ARG A 106 -3.933 -6.425 9.035 1.00 91.59 C +ATOM 822 CD ARG A 106 -4.288 -7.413 7.929 1.00 88.97 C +ATOM 823 NE ARG A 106 -3.355 -8.538 7.908 1.00 82.97 N +ATOM 824 CZ ARG A 106 -3.309 -9.515 7.006 1.00 81.58 C +ATOM 825 NH1 ARG A 106 -4.162 -9.581 6.035 1.00 77.53 N +ATOM 826 NH2 ARG A 106 -2.391 -10.435 7.088 1.00 78.19 N1+ +ATOM 827 N ASP A 107 -0.755 -6.398 11.294 1.00 95.08 N +ATOM 828 CA ASP A 107 -0.443 -7.331 12.366 1.00 94.97 C +ATOM 829 C ASP A 107 0.172 -6.632 13.575 1.00 95.14 C +ATOM 830 O ASP A 107 0.072 -7.129 14.707 1.00 94.67 O +ATOM 831 CB ASP A 107 0.491 -8.432 11.841 1.00 94.38 C +ATOM 832 CG ASP A 107 -0.130 -9.264 10.707 1.00 92.27 C +ATOM 833 OD1 ASP A 107 -1.370 -9.461 10.689 1.00 87.72 O +ATOM 834 OD2 ASP A 107 0.642 -9.672 9.815 1.00 84.77 O +ATOM 835 N TYR A 108 0.776 -5.481 13.361 1.00 95.92 N +ATOM 836 CA TYR A 108 1.427 -4.702 14.405 1.00 95.89 C +ATOM 837 C TYR A 108 0.450 -3.844 15.216 1.00 95.92 C +ATOM 838 O TYR A 108 0.468 -3.893 16.433 1.00 95.62 O +ATOM 839 CB TYR A 108 2.505 -3.833 13.757 1.00 95.72 C +ATOM 840 CG TYR A 108 3.373 -3.097 14.760 1.00 95.47 C +ATOM 841 CD1 TYR A 108 4.546 -3.703 15.255 1.00 94.96 C +ATOM 842 CD2 TYR A 108 3.001 -1.813 15.228 1.00 94.75 C +ATOM 843 CE1 TYR A 108 5.334 -3.036 16.205 1.00 94.11 C +ATOM 844 CE2 TYR A 108 3.791 -1.146 16.176 1.00 94.19 C +ATOM 845 CZ TYR A 108 4.952 -1.756 16.663 1.00 94.06 C +ATOM 846 OH TYR A 108 5.732 -1.111 17.596 1.00 93.53 O +ATOM 847 N LEU A 109 -0.393 -3.072 14.541 1.00 95.36 N +ATOM 848 CA LEU A 109 -1.241 -2.060 15.179 1.00 95.31 C +ATOM 849 C LEU A 109 -2.228 -2.619 16.217 1.00 95.24 C +ATOM 850 O LEU A 109 -2.359 -1.995 17.266 1.00 94.91 O +ATOM 851 CB LEU A 109 -1.975 -1.227 14.123 1.00 95.21 C +ATOM 852 CG LEU A 109 -1.073 -0.312 13.284 1.00 94.85 C +ATOM 853 CD1 LEU A 109 -1.930 0.426 12.260 1.00 94.45 C +ATOM 854 CD2 LEU A 109 -0.360 0.727 14.136 1.00 94.11 C +ATOM 855 N PRO A 110 -2.857 -3.785 16.036 1.00 94.73 N +ATOM 856 CA PRO A 110 -3.731 -4.362 17.060 1.00 94.54 C +ATOM 857 C PRO A 110 -3.024 -4.744 18.364 1.00 94.54 C +ATOM 858 O PRO A 110 -3.660 -4.972 19.386 1.00 93.92 O +ATOM 859 CB PRO A 110 -4.354 -5.601 16.412 1.00 94.09 C +ATOM 860 CG PRO A 110 -4.269 -5.314 14.919 1.00 93.39 C +ATOM 861 CD PRO A 110 -2.951 -4.563 14.817 1.00 94.12 C +ATOM 862 N ARG A 111 -1.712 -4.843 18.349 1.00 94.03 N +ATOM 863 CA ARG A 111 -0.888 -5.299 19.486 1.00 93.63 C +ATOM 864 C ARG A 111 -0.108 -4.176 20.160 1.00 93.70 C +ATOM 865 O ARG A 111 0.531 -4.442 21.174 1.00 92.21 O +ATOM 866 CB ARG A 111 0.071 -6.389 18.990 1.00 92.16 C +ATOM 867 CG ARG A 111 -0.653 -7.579 18.339 1.00 83.25 C +ATOM 868 CD ARG A 111 0.375 -8.605 17.854 1.00 79.41 C +ATOM 869 NE ARG A 111 -0.275 -9.645 17.037 1.00 72.96 N +ATOM 870 CZ ARG A 111 0.333 -10.636 16.415 1.00 67.77 C +ATOM 871 NH1 ARG A 111 1.626 -10.809 16.522 1.00 59.37 N +ATOM 872 NH2 ARG A 111 -0.345 -11.472 15.698 1.00 56.91 N1+ +ATOM 873 N HIS A 112 -0.122 -2.975 19.586 1.00 93.65 N +ATOM 874 CA HIS A 112 0.678 -1.856 20.059 1.00 93.67 C +ATOM 875 C HIS A 112 -0.164 -0.592 20.123 1.00 93.75 C +ATOM 876 O HIS A 112 -0.826 -0.217 19.161 1.00 92.78 O +ATOM 877 CB HIS A 112 1.879 -1.668 19.138 1.00 93.25 C +ATOM 878 CG HIS A 112 2.807 -2.852 19.096 1.00 92.57 C +ATOM 879 ND1 HIS A 112 2.633 -3.979 18.290 1.00 88.76 N1+ +ATOM 880 CD2 HIS A 112 3.936 -3.050 19.842 1.00 87.93 C +ATOM 881 CE1 HIS A 112 3.642 -4.825 18.549 1.00 87.83 C +ATOM 882 NE2 HIS A 112 4.451 -4.302 19.482 1.00 88.85 N +ATOM 883 N SER A 113 -0.113 0.110 21.242 1.00 92.35 N +ATOM 884 CA SER A 113 -0.828 1.364 21.437 1.00 92.23 C +ATOM 885 C SER A 113 -0.104 2.515 20.755 1.00 92.83 C +ATOM 886 O SER A 113 0.676 3.247 21.391 1.00 90.95 O +ATOM 887 CB SER A 113 -1.015 1.639 22.926 1.00 89.57 C +ATOM 888 OG SER A 113 -1.763 0.607 23.540 1.00 77.24 O +ATOM 889 N ILE A 114 -0.318 2.673 19.459 1.00 93.70 N +ATOM 890 CA ILE A 114 0.253 3.758 18.665 1.00 93.79 C +ATOM 891 C ILE A 114 -0.663 4.975 18.724 1.00 94.12 C +ATOM 892 O ILE A 114 -1.860 4.884 18.479 1.00 93.02 O +ATOM 893 CB ILE A 114 0.512 3.287 17.236 1.00 92.36 C +ATOM 894 CG1 ILE A 114 1.394 2.018 17.173 1.00 84.93 C +ATOM 895 CG2 ILE A 114 1.159 4.388 16.401 1.00 81.05 C +ATOM 896 CD1 ILE A 114 2.741 2.136 17.892 1.00 74.08 C +ATOM 897 N GLY A 115 -0.094 6.132 19.059 1.00 95.04 N +ATOM 898 CA GLY A 115 -0.822 7.396 19.121 1.00 94.96 C +ATOM 899 C GLY A 115 -1.145 7.967 17.742 1.00 95.37 C +ATOM 900 O GLY A 115 -0.499 7.646 16.761 1.00 94.96 O +ATOM 901 N LEU A 116 -2.092 8.875 17.698 1.00 95.27 N +ATOM 902 CA LEU A 116 -2.560 9.510 16.469 1.00 95.37 C +ATOM 903 C LEU A 116 -1.430 10.163 15.658 1.00 95.61 C +ATOM 904 O LEU A 116 -1.356 9.958 14.454 1.00 95.53 O +ATOM 905 CB LEU A 116 -3.635 10.537 16.853 1.00 95.16 C +ATOM 906 CG LEU A 116 -4.201 11.345 15.664 1.00 94.54 C +ATOM 907 CD1 LEU A 116 -5.228 12.334 16.173 1.00 93.93 C +ATOM 908 CD2 LEU A 116 -4.867 10.467 14.609 1.00 93.42 C +ATOM 909 N ALA A 117 -0.546 10.897 16.313 1.00 95.69 N +ATOM 910 CA ALA A 117 0.570 11.535 15.647 1.00 95.71 C +ATOM 911 C ALA A 117 1.437 10.522 14.888 1.00 95.94 C +ATOM 912 O ALA A 117 1.821 10.748 13.739 1.00 95.63 O +ATOM 913 CB ALA A 117 1.386 12.301 16.665 1.00 95.18 C +ATOM 914 N GLN A 118 1.695 9.382 15.494 1.00 96.15 N +ATOM 915 CA GLN A 118 2.487 8.321 14.873 1.00 96.02 C +ATOM 916 C GLN A 118 1.771 7.675 13.672 1.00 96.20 C +ATOM 917 O GLN A 118 2.397 7.403 12.655 1.00 95.94 O +ATOM 918 CB GLN A 118 2.827 7.278 15.943 1.00 95.48 C +ATOM 919 CG GLN A 118 3.956 6.344 15.518 1.00 92.43 C +ATOM 920 CD GLN A 118 5.299 7.059 15.384 1.00 90.92 C +ATOM 921 OE1 GLN A 118 5.527 8.106 15.928 1.00 81.23 O +ATOM 922 NE2 GLN A 118 6.215 6.504 14.643 1.00 78.52 N +ATOM 923 N LEU A 119 0.473 7.471 13.774 1.00 96.17 N +ATOM 924 CA LEU A 119 -0.330 6.973 12.651 1.00 96.27 C +ATOM 925 C LEU A 119 -0.341 7.949 11.474 1.00 96.38 C +ATOM 926 O LEU A 119 -0.232 7.535 10.316 1.00 96.19 O +ATOM 927 CB LEU A 119 -1.771 6.710 13.118 1.00 96.21 C +ATOM 928 CG LEU A 119 -1.927 5.629 14.192 1.00 95.83 C +ATOM 929 CD1 LEU A 119 -3.381 5.575 14.639 1.00 95.39 C +ATOM 930 CD2 LEU A 119 -1.527 4.245 13.683 1.00 95.26 C +ATOM 931 N LEU A 120 -0.402 9.239 11.759 1.00 96.17 N +ATOM 932 CA LEU A 120 -0.341 10.279 10.734 1.00 96.23 C +ATOM 933 C LEU A 120 1.049 10.380 10.093 1.00 96.25 C +ATOM 934 O LEU A 120 1.133 10.605 8.891 1.00 96.03 O +ATOM 935 CB LEU A 120 -0.752 11.626 11.351 1.00 96.17 C +ATOM 936 CG LEU A 120 -2.226 11.684 11.783 1.00 95.85 C +ATOM 937 CD1 LEU A 120 -2.449 12.966 12.579 1.00 95.52 C +ATOM 938 CD2 LEU A 120 -3.181 11.693 10.595 1.00 95.30 C +ATOM 939 N LEU A 121 2.109 10.134 10.863 1.00 96.35 N +ATOM 940 CA LEU A 121 3.453 10.003 10.304 1.00 96.34 C +ATOM 941 C LEU A 121 3.531 8.821 9.333 1.00 96.39 C +ATOM 942 O LEU A 121 4.043 8.984 8.230 1.00 96.19 O +ATOM 943 CB LEU A 121 4.464 9.844 11.449 1.00 96.19 C +ATOM 944 CG LEU A 121 5.918 9.627 10.972 1.00 95.68 C +ATOM 945 CD1 LEU A 121 6.810 9.341 12.186 1.00 95.03 C +ATOM 946 CD2 LEU A 121 6.462 10.870 10.265 1.00 94.41 C +ATOM 947 N PHE A 122 2.993 7.672 9.683 1.00 96.62 N +ATOM 948 CA PHE A 122 2.939 6.531 8.779 1.00 96.66 C +ATOM 949 C PHE A 122 2.128 6.835 7.518 1.00 96.72 C +ATOM 950 O PHE A 122 2.574 6.516 6.418 1.00 96.56 O +ATOM 951 CB PHE A 122 2.352 5.307 9.492 1.00 96.60 C +ATOM 952 CG PHE A 122 3.109 4.808 10.715 1.00 96.57 C +ATOM 953 CD1 PHE A 122 4.484 5.047 10.886 1.00 96.16 C +ATOM 954 CD2 PHE A 122 2.434 4.038 11.676 1.00 95.99 C +ATOM 955 CE1 PHE A 122 5.172 4.532 11.992 1.00 95.50 C +ATOM 956 CE2 PHE A 122 3.107 3.507 12.791 1.00 95.57 C +ATOM 957 CZ PHE A 122 4.474 3.763 12.951 1.00 95.53 C +ATOM 958 N ALA A 123 0.995 7.502 7.667 1.00 96.58 N +ATOM 959 CA ALA A 123 0.182 7.905 6.532 1.00 96.58 C +ATOM 960 C ALA A 123 0.940 8.848 5.578 1.00 96.65 C +ATOM 961 O ALA A 123 0.909 8.642 4.365 1.00 96.47 O +ATOM 962 CB ALA A 123 -1.097 8.560 7.064 1.00 96.43 C +ATOM 963 N GLN A 124 1.671 9.820 6.127 1.00 96.65 N +ATOM 964 CA GLN A 124 2.540 10.694 5.344 1.00 96.61 C +ATOM 965 C GLN A 124 3.595 9.896 4.571 1.00 96.67 C +ATOM 966 O GLN A 124 3.741 10.069 3.364 1.00 96.33 O +ATOM 967 CB GLN A 124 3.187 11.715 6.282 1.00 96.24 C +ATOM 968 CG GLN A 124 4.094 12.698 5.552 1.00 94.79 C +ATOM 969 CD GLN A 124 5.037 13.461 6.487 1.00 93.63 C +ATOM 970 OE1 GLN A 124 4.729 13.750 7.621 1.00 87.00 O +ATOM 971 NE2 GLN A 124 6.201 13.772 6.015 1.00 86.25 N +ATOM 972 N GLN A 125 4.283 8.998 5.237 1.00 96.62 N +ATOM 973 CA GLN A 125 5.328 8.177 4.624 1.00 96.62 C +ATOM 974 C GLN A 125 4.790 7.251 3.525 1.00 96.63 C +ATOM 975 O GLN A 125 5.429 7.064 2.497 1.00 96.40 O +ATOM 976 CB GLN A 125 6.012 7.345 5.709 1.00 96.56 C +ATOM 977 CG GLN A 125 6.861 8.205 6.667 1.00 96.33 C +ATOM 978 CD GLN A 125 7.532 7.373 7.765 1.00 96.12 C +ATOM 979 OE1 GLN A 125 7.425 6.167 7.818 1.00 94.40 O +ATOM 980 NE2 GLN A 125 8.243 8.001 8.646 1.00 93.62 N +ATOM 981 N ILE A 126 3.608 6.698 3.721 1.00 96.55 N +ATOM 982 CA ILE A 126 2.929 5.931 2.668 1.00 96.58 C +ATOM 983 C ILE A 126 2.700 6.821 1.449 1.00 96.56 C +ATOM 984 O ILE A 126 3.021 6.420 0.331 1.00 96.45 O +ATOM 985 CB ILE A 126 1.610 5.318 3.189 1.00 96.67 C +ATOM 986 CG1 ILE A 126 1.884 4.242 4.260 1.00 96.64 C +ATOM 987 CG2 ILE A 126 0.811 4.684 2.032 1.00 96.65 C +ATOM 988 CD1 ILE A 126 0.644 3.885 5.106 1.00 96.34 C +ATOM 989 N CYS A 127 2.231 8.040 1.649 1.00 96.67 N +ATOM 990 CA CYS A 127 2.035 8.985 0.547 1.00 96.61 C +ATOM 991 C CYS A 127 3.348 9.360 -0.154 1.00 96.56 C +ATOM 992 O CYS A 127 3.353 9.456 -1.375 1.00 96.30 O +ATOM 993 CB CYS A 127 1.339 10.252 1.056 1.00 96.50 C +ATOM 994 SG CYS A 127 -0.385 9.884 1.462 1.00 96.28 S +ATOM 995 N GLU A 128 4.430 9.511 0.572 1.00 96.81 N +ATOM 996 CA GLU A 128 5.760 9.777 -0.002 1.00 96.69 C +ATOM 997 C GLU A 128 6.232 8.618 -0.891 1.00 96.81 C +ATOM 998 O GLU A 128 6.607 8.831 -2.047 1.00 96.46 O +ATOM 999 CB GLU A 128 6.763 10.078 1.126 1.00 96.35 C +ATOM 1000 CG GLU A 128 6.496 11.462 1.755 1.00 94.69 C +ATOM 1001 CD GLU A 128 7.282 11.745 3.048 1.00 93.75 C +ATOM 1002 OE1 GLU A 128 7.121 12.886 3.556 1.00 84.19 O +ATOM 1003 OE2 GLU A 128 8.008 10.883 3.558 1.00 82.33 O +ATOM 1004 N GLY A 129 6.109 7.397 -0.401 1.00 96.72 N +ATOM 1005 CA GLY A 129 6.440 6.216 -1.186 1.00 96.69 C +ATOM 1006 C GLY A 129 5.547 6.035 -2.417 1.00 96.81 C +ATOM 1007 O GLY A 129 6.035 5.694 -3.499 1.00 96.63 O +ATOM 1008 N MET A 130 4.272 6.302 -2.283 1.00 96.46 N +ATOM 1009 CA MET A 130 3.318 6.213 -3.393 1.00 96.52 C +ATOM 1010 C MET A 130 3.488 7.321 -4.432 1.00 96.50 C +ATOM 1011 O MET A 130 3.361 7.047 -5.623 1.00 96.30 O +ATOM 1012 CB MET A 130 1.895 6.221 -2.839 1.00 96.49 C +ATOM 1013 CG MET A 130 1.549 4.912 -2.123 1.00 96.33 C +ATOM 1014 SD MET A 130 1.679 3.379 -3.083 1.00 96.11 S +ATOM 1015 CE MET A 130 0.539 3.716 -4.421 1.00 95.18 C +ATOM 1016 N ALA A 131 3.811 8.539 -4.001 1.00 96.56 N +ATOM 1017 CA ALA A 131 4.133 9.632 -4.915 1.00 96.47 C +ATOM 1018 C ALA A 131 5.366 9.303 -5.765 1.00 96.45 C +ATOM 1019 O ALA A 131 5.344 9.467 -6.982 1.00 96.22 O +ATOM 1020 CB ALA A 131 4.352 10.916 -4.108 1.00 96.36 C +ATOM 1021 N TYR A 132 6.392 8.735 -5.134 1.00 96.56 N +ATOM 1022 CA TYR A 132 7.554 8.225 -5.863 1.00 96.43 C +ATOM 1023 C TYR A 132 7.166 7.131 -6.861 1.00 96.49 C +ATOM 1024 O TYR A 132 7.550 7.199 -8.024 1.00 96.25 O +ATOM 1025 CB TYR A 132 8.585 7.729 -4.863 1.00 96.29 C +ATOM 1026 CG TYR A 132 9.707 6.934 -5.519 1.00 96.10 C +ATOM 1027 CD1 TYR A 132 10.776 7.596 -6.141 1.00 95.67 C +ATOM 1028 CD2 TYR A 132 9.639 5.527 -5.555 1.00 95.49 C +ATOM 1029 CE1 TYR A 132 11.797 6.856 -6.788 1.00 94.89 C +ATOM 1030 CE2 TYR A 132 10.644 4.785 -6.187 1.00 95.08 C +ATOM 1031 CZ TYR A 132 11.723 5.450 -6.797 1.00 95.00 C +ATOM 1032 OH TYR A 132 12.714 4.724 -7.430 1.00 94.12 O +ATOM 1033 N LEU A 133 6.362 6.151 -6.436 1.00 96.29 N +ATOM 1034 CA LEU A 133 5.933 5.063 -7.312 1.00 96.25 C +ATOM 1035 C LEU A 133 5.195 5.582 -8.549 1.00 96.31 C +ATOM 1036 O LEU A 133 5.484 5.149 -9.666 1.00 95.95 O +ATOM 1037 CB LEU A 133 5.045 4.118 -6.481 1.00 95.94 C +ATOM 1038 CG LEU A 133 4.633 2.849 -7.241 1.00 94.76 C +ATOM 1039 CD1 LEU A 133 3.562 2.089 -6.468 1.00 93.97 C +ATOM 1040 CD2 LEU A 133 5.824 1.912 -7.453 1.00 93.14 C +ATOM 1041 N HIS A 134 4.293 6.510 -8.364 1.00 96.13 N +ATOM 1042 CA HIS A 134 3.571 7.150 -9.456 1.00 96.05 C +ATOM 1043 C HIS A 134 4.479 7.975 -10.365 1.00 95.92 C +ATOM 1044 O HIS A 134 4.327 7.905 -11.575 1.00 95.63 O +ATOM 1045 CB HIS A 134 2.454 8.019 -8.877 1.00 95.99 C +ATOM 1046 CG HIS A 134 1.283 7.245 -8.338 1.00 96.04 C +ATOM 1047 ND1 HIS A 134 0.082 7.814 -7.923 1.00 95.26 N1+ +ATOM 1048 CD2 HIS A 134 1.149 5.892 -8.227 1.00 95.00 C +ATOM 1049 CE1 HIS A 134 -0.755 6.837 -7.581 1.00 94.66 C +ATOM 1050 NE2 HIS A 134 -0.139 5.646 -7.740 1.00 94.87 N +ATOM 1051 N ALA A 135 5.473 8.669 -9.810 1.00 96.25 N +ATOM 1052 CA ALA A 135 6.480 9.368 -10.604 1.00 96.06 C +ATOM 1053 C ALA A 135 7.342 8.418 -11.457 1.00 96.14 C +ATOM 1054 O ALA A 135 7.837 8.804 -12.508 1.00 95.70 O +ATOM 1055 CB ALA A 135 7.341 10.205 -9.661 1.00 95.66 C +ATOM 1056 N GLN A 136 7.454 7.161 -11.037 1.00 96.22 N +ATOM 1057 CA GLN A 136 8.081 6.092 -11.832 1.00 96.16 C +ATOM 1058 C GLN A 136 7.102 5.409 -12.815 1.00 96.30 C +ATOM 1059 O GLN A 136 7.437 4.391 -13.418 1.00 95.83 O +ATOM 1060 CB GLN A 136 8.735 5.063 -10.902 1.00 95.69 C +ATOM 1061 CG GLN A 136 9.826 5.645 -9.989 1.00 93.97 C +ATOM 1062 CD GLN A 136 10.916 6.397 -10.746 1.00 92.19 C +ATOM 1063 OE1 GLN A 136 11.601 5.851 -11.592 1.00 85.92 O +ATOM 1064 NE2 GLN A 136 11.092 7.663 -10.458 1.00 84.36 N +ATOM 1065 N HIS A 137 5.918 5.950 -12.976 1.00 95.89 N +ATOM 1066 CA HIS A 137 4.857 5.436 -13.860 1.00 95.83 C +ATOM 1067 C HIS A 137 4.319 4.041 -13.498 1.00 96.12 C +ATOM 1068 O HIS A 137 3.878 3.299 -14.375 1.00 95.69 O +ATOM 1069 CB HIS A 137 5.265 5.557 -15.322 1.00 95.21 C +ATOM 1070 CG HIS A 137 5.676 6.946 -15.712 1.00 93.99 C +ATOM 1071 ND1 HIS A 137 4.864 8.055 -15.731 1.00 90.76 N1+ +ATOM 1072 CD2 HIS A 137 6.936 7.365 -16.078 1.00 87.66 C +ATOM 1073 CE1 HIS A 137 5.593 9.109 -16.093 1.00 86.81 C +ATOM 1074 NE2 HIS A 137 6.871 8.720 -16.312 1.00 89.19 N +ATOM 1075 N TYR A 138 4.286 3.713 -12.242 1.00 95.92 N +ATOM 1076 CA TYR A 138 3.664 2.491 -11.758 1.00 95.98 C +ATOM 1077 C TYR A 138 2.395 2.774 -10.953 1.00 96.08 C +ATOM 1078 O TYR A 138 2.302 3.757 -10.234 1.00 95.79 O +ATOM 1079 CB TYR A 138 4.649 1.679 -10.925 1.00 95.86 C +ATOM 1080 CG TYR A 138 5.876 1.227 -11.686 1.00 95.66 C +ATOM 1081 CD1 TYR A 138 5.772 0.224 -12.674 1.00 95.14 C +ATOM 1082 CD2 TYR A 138 7.124 1.821 -11.430 1.00 94.98 C +ATOM 1083 CE1 TYR A 138 6.911 -0.177 -13.399 1.00 94.41 C +ATOM 1084 CE2 TYR A 138 8.267 1.426 -12.150 1.00 94.47 C +ATOM 1085 CZ TYR A 138 8.153 0.427 -13.127 1.00 94.43 C +ATOM 1086 OH TYR A 138 9.259 0.046 -13.843 1.00 93.90 O +ATOM 1087 N ILE A 139 1.446 1.868 -11.027 1.00 95.82 N +ATOM 1088 CA ILE A 139 0.282 1.790 -10.145 1.00 95.79 C +ATOM 1089 C ILE A 139 0.459 0.559 -9.261 1.00 95.92 C +ATOM 1090 O ILE A 139 0.750 -0.523 -9.776 1.00 95.53 O +ATOM 1091 CB ILE A 139 -1.033 1.721 -10.955 1.00 95.19 C +ATOM 1092 CG1 ILE A 139 -1.174 2.921 -11.900 1.00 92.36 C +ATOM 1093 CG2 ILE A 139 -2.228 1.652 -9.996 1.00 91.35 C +ATOM 1094 CD1 ILE A 139 -2.401 2.815 -12.826 1.00 86.12 C +ATOM 1095 N HIS A 140 0.256 0.705 -7.967 1.00 95.95 N +ATOM 1096 CA HIS A 140 0.443 -0.389 -7.003 1.00 95.92 C +ATOM 1097 C HIS A 140 -0.683 -1.422 -7.067 1.00 95.89 C +ATOM 1098 O HIS A 140 -0.424 -2.624 -7.046 1.00 95.46 O +ATOM 1099 CB HIS A 140 0.591 0.207 -5.602 1.00 95.84 C +ATOM 1100 CG HIS A 140 0.978 -0.820 -4.573 1.00 95.81 C +ATOM 1101 ND1 HIS A 140 0.135 -1.691 -3.904 1.00 94.76 N1+ +ATOM 1102 CD2 HIS A 140 2.251 -1.098 -4.150 1.00 94.40 C +ATOM 1103 CE1 HIS A 140 0.885 -2.465 -3.101 1.00 94.02 C +ATOM 1104 NE2 HIS A 140 2.172 -2.123 -3.232 1.00 94.40 N +ATOM 1105 N ARG A 141 -1.918 -0.960 -7.120 1.00 95.89 N +ATOM 1106 CA ARG A 141 -3.157 -1.756 -7.206 1.00 95.75 C +ATOM 1107 C ARG A 141 -3.473 -2.641 -5.983 1.00 95.79 C +ATOM 1108 O ARG A 141 -4.474 -3.364 -6.009 1.00 95.24 O +ATOM 1109 CB ARG A 141 -3.188 -2.584 -8.500 1.00 95.18 C +ATOM 1110 CG ARG A 141 -3.113 -1.744 -9.772 1.00 93.62 C +ATOM 1111 CD ARG A 141 -2.971 -2.636 -11.013 1.00 92.23 C +ATOM 1112 NE ARG A 141 -4.056 -3.620 -11.090 1.00 89.60 N +ATOM 1113 CZ ARG A 141 -3.964 -4.934 -11.294 1.00 87.96 C +ATOM 1114 NH1 ARG A 141 -2.841 -5.531 -11.505 1.00 85.09 N +ATOM 1115 NH2 ARG A 141 -5.022 -5.663 -11.293 1.00 85.76 N1+ +ATOM 1116 N ASN A 142 -2.674 -2.614 -4.955 1.00 95.75 N +ATOM 1117 CA ASN A 142 -2.882 -3.420 -3.755 1.00 95.55 C +ATOM 1118 C ASN A 142 -2.431 -2.703 -2.464 1.00 95.72 C +ATOM 1119 O ASN A 142 -1.991 -3.347 -1.506 1.00 95.32 O +ATOM 1120 CB ASN A 142 -2.194 -4.774 -3.958 1.00 94.97 C +ATOM 1121 CG ASN A 142 -2.616 -5.842 -2.963 1.00 92.77 C +ATOM 1122 OD1 ASN A 142 -3.641 -5.774 -2.309 1.00 87.07 O +ATOM 1123 ND2 ASN A 142 -1.839 -6.893 -2.874 1.00 83.12 N +ATOM 1124 N LEU A 143 -2.532 -1.393 -2.442 1.00 96.03 N +ATOM 1125 CA LEU A 143 -2.205 -0.624 -1.251 1.00 96.02 C +ATOM 1126 C LEU A 143 -3.221 -0.921 -0.140 1.00 95.97 C +ATOM 1127 O LEU A 143 -4.421 -0.734 -0.312 1.00 95.61 O +ATOM 1128 CB LEU A 143 -2.132 0.869 -1.600 1.00 96.03 C +ATOM 1129 CG LEU A 143 -1.709 1.756 -0.413 1.00 95.80 C +ATOM 1130 CD1 LEU A 143 -1.721 3.222 -0.848 1.00 95.53 C +ATOM 1131 CD2 LEU A 143 -0.307 1.417 0.100 1.00 95.39 C +ATOM 1132 N ALA A 144 -2.735 -1.410 0.976 1.00 95.58 N +ATOM 1133 CA ALA A 144 -3.487 -1.783 2.159 1.00 95.46 C +ATOM 1134 C ALA A 144 -2.529 -1.919 3.347 1.00 95.56 C +ATOM 1135 O ALA A 144 -1.346 -2.193 3.146 1.00 95.25 O +ATOM 1136 CB ALA A 144 -4.185 -3.116 1.890 1.00 95.18 C +ATOM 1137 N ALA A 145 -3.021 -1.846 4.580 1.00 95.73 N +ATOM 1138 CA ALA A 145 -2.183 -1.943 5.783 1.00 95.72 C +ATOM 1139 C ALA A 145 -1.401 -3.266 5.882 1.00 95.80 C +ATOM 1140 O ALA A 145 -0.289 -3.288 6.404 1.00 95.52 O +ATOM 1141 CB ALA A 145 -3.076 -1.752 7.004 1.00 95.52 C +ATOM 1142 N ARG A 146 -1.929 -4.350 5.318 1.00 95.33 N +ATOM 1143 CA ARG A 146 -1.220 -5.646 5.219 1.00 95.03 C +ATOM 1144 C ARG A 146 0.036 -5.609 4.351 1.00 95.20 C +ATOM 1145 O ARG A 146 0.884 -6.481 4.509 1.00 94.56 O +ATOM 1146 CB ARG A 146 -2.186 -6.730 4.715 1.00 94.15 C +ATOM 1147 CG ARG A 146 -2.602 -6.510 3.248 1.00 89.53 C +ATOM 1148 CD ARG A 146 -3.522 -7.607 2.720 1.00 87.20 C +ATOM 1149 NE ARG A 146 -3.911 -7.323 1.339 1.00 81.88 N +ATOM 1150 CZ ARG A 146 -4.951 -6.598 0.944 1.00 78.68 C +ATOM 1151 NH1 ARG A 146 -5.840 -6.153 1.793 1.00 71.03 N +ATOM 1152 NH2 ARG A 146 -5.103 -6.311 -0.300 1.00 70.76 N1+ +ATOM 1153 N ASN A 147 0.116 -4.647 3.441 1.00 95.82 N +ATOM 1154 CA ASN A 147 1.220 -4.482 2.496 1.00 95.72 C +ATOM 1155 C ASN A 147 2.128 -3.303 2.852 1.00 95.84 C +ATOM 1156 O ASN A 147 3.021 -2.967 2.079 1.00 95.51 O +ATOM 1157 CB ASN A 147 0.636 -4.350 1.073 1.00 95.48 C +ATOM 1158 CG ASN A 147 -0.088 -5.599 0.597 1.00 94.87 C +ATOM 1159 OD1 ASN A 147 0.062 -6.683 1.137 1.00 93.26 O +ATOM 1160 ND2 ASN A 147 -0.887 -5.490 -0.437 1.00 92.60 N +ATOM 1161 N VAL A 148 1.911 -2.685 3.987 1.00 96.19 N +ATOM 1162 CA VAL A 148 2.804 -1.690 4.562 1.00 96.19 C +ATOM 1163 C VAL A 148 3.530 -2.321 5.741 1.00 96.18 C +ATOM 1164 O VAL A 148 2.906 -2.765 6.705 1.00 95.95 O +ATOM 1165 CB VAL A 148 2.053 -0.417 4.960 1.00 96.16 C +ATOM 1166 CG1 VAL A 148 1.290 0.187 3.772 1.00 96.00 C +ATOM 1167 CG2 VAL A 148 3.041 0.636 5.471 1.00 96.07 C +ATOM 1168 N LEU A 149 4.838 -2.379 5.658 1.00 96.56 N +ATOM 1169 CA LEU A 149 5.713 -2.994 6.642 1.00 96.47 C +ATOM 1170 C LEU A 149 6.349 -1.926 7.522 1.00 96.56 C +ATOM 1171 O LEU A 149 6.661 -0.836 7.068 1.00 96.18 O +ATOM 1172 CB LEU A 149 6.778 -3.834 5.926 1.00 96.10 C +ATOM 1173 CG LEU A 149 6.232 -4.896 4.961 1.00 94.96 C +ATOM 1174 CD1 LEU A 149 7.399 -5.585 4.257 1.00 93.90 C +ATOM 1175 CD2 LEU A 149 5.424 -5.972 5.682 1.00 92.58 C +ATOM 1176 N LEU A 150 6.568 -2.250 8.782 1.00 96.07 N +ATOM 1177 CA LEU A 150 7.158 -1.370 9.773 1.00 95.92 C +ATOM 1178 C LEU A 150 8.593 -1.813 10.073 1.00 95.97 C +ATOM 1179 O LEU A 150 8.820 -2.912 10.604 1.00 95.45 O +ATOM 1180 CB LEU A 150 6.232 -1.380 11.002 1.00 95.33 C +ATOM 1181 CG LEU A 150 6.633 -0.391 12.102 1.00 92.55 C +ATOM 1182 CD1 LEU A 150 5.717 -0.582 13.306 1.00 90.48 C +ATOM 1183 CD2 LEU A 150 6.503 1.060 11.666 1.00 88.38 C +ATOM 1184 N ASP A 151 9.535 -0.952 9.750 1.00 94.97 N +ATOM 1185 CA ASP A 151 10.969 -1.214 9.987 1.00 94.75 C +ATOM 1186 C ASP A 151 11.357 -0.907 11.430 1.00 94.80 C +ATOM 1187 O ASP A 151 12.021 -1.697 12.105 1.00 94.00 O +ATOM 1188 CB ASP A 151 11.772 -0.378 8.995 1.00 93.77 C +ATOM 1189 CG ASP A 151 13.260 -0.731 8.963 1.00 90.73 C +ATOM 1190 OD1 ASP A 151 13.579 -1.942 9.083 1.00 86.15 O +ATOM 1191 OD2 ASP A 151 14.062 0.201 8.756 1.00 82.80 O +ATOM 1192 N ASN A 152 10.901 0.232 11.924 1.00 94.85 N +ATOM 1193 CA ASN A 152 11.037 0.662 13.315 1.00 94.69 C +ATOM 1194 C ASN A 152 9.835 1.549 13.673 1.00 94.76 C +ATOM 1195 O ASN A 152 8.942 1.765 12.856 1.00 94.25 O +ATOM 1196 CB ASN A 152 12.389 1.373 13.501 1.00 94.26 C +ATOM 1197 CG ASN A 152 12.552 2.605 12.641 1.00 93.50 C +ATOM 1198 OD1 ASN A 152 11.846 3.591 12.810 1.00 91.30 O +ATOM 1199 ND2 ASN A 152 13.456 2.592 11.692 1.00 90.22 N +ATOM 1200 N ASP A 153 9.809 2.091 14.859 1.00 93.34 N +ATOM 1201 CA ASP A 153 8.698 2.911 15.380 1.00 93.22 C +ATOM 1202 C ASP A 153 8.414 4.194 14.584 1.00 93.57 C +ATOM 1203 O ASP A 153 7.374 4.822 14.799 1.00 92.26 O +ATOM 1204 CB ASP A 153 8.969 3.230 16.853 1.00 91.60 C +ATOM 1205 CG ASP A 153 10.174 4.143 17.102 1.00 85.72 C +ATOM 1206 OD1 ASP A 153 11.148 4.066 16.335 1.00 76.98 O +ATOM 1207 OD2 ASP A 153 10.108 4.938 18.049 1.00 74.75 O +ATOM 1208 N ARG A 154 9.274 4.561 13.647 1.00 93.21 N +ATOM 1209 CA ARG A 154 9.159 5.788 12.838 1.00 92.90 C +ATOM 1210 C ARG A 154 9.240 5.571 11.331 1.00 93.62 C +ATOM 1211 O ARG A 154 9.158 6.546 10.597 1.00 92.19 O +ATOM 1212 CB ARG A 154 10.219 6.807 13.277 1.00 90.53 C +ATOM 1213 CG ARG A 154 10.039 7.238 14.729 1.00 81.04 C +ATOM 1214 CD ARG A 154 11.020 8.341 15.053 1.00 73.47 C +ATOM 1215 NE ARG A 154 10.887 8.742 16.475 1.00 66.99 N +ATOM 1216 CZ ARG A 154 11.486 9.758 17.057 1.00 59.26 C +ATOM 1217 NH1 ARG A 154 12.289 10.551 16.406 1.00 52.45 N +ATOM 1218 NH2 ARG A 154 11.272 9.992 18.315 1.00 49.43 N1+ +ATOM 1219 N LEU A 155 9.428 4.362 10.859 1.00 95.96 N +ATOM 1220 CA LEU A 155 9.698 4.113 9.440 1.00 96.00 C +ATOM 1221 C LEU A 155 8.835 2.974 8.900 1.00 96.19 C +ATOM 1222 O LEU A 155 8.992 1.821 9.298 1.00 95.78 O +ATOM 1223 CB LEU A 155 11.190 3.839 9.244 1.00 95.58 C +ATOM 1224 CG LEU A 155 11.607 3.635 7.778 1.00 94.18 C +ATOM 1225 CD1 LEU A 155 13.099 3.313 7.708 1.00 93.26 C +ATOM 1226 CD2 LEU A 155 11.369 4.878 6.937 1.00 91.93 C +ATOM 1227 N VAL A 156 7.992 3.292 7.923 1.00 96.37 N +ATOM 1228 CA VAL A 156 7.221 2.315 7.172 1.00 96.42 C +ATOM 1229 C VAL A 156 7.730 2.177 5.748 1.00 96.50 C +ATOM 1230 O VAL A 156 8.281 3.112 5.173 1.00 96.14 O +ATOM 1231 CB VAL A 156 5.711 2.610 7.182 1.00 96.10 C +ATOM 1232 CG1 VAL A 156 5.156 2.524 8.606 1.00 95.04 C +ATOM 1233 CG2 VAL A 156 5.351 3.965 6.576 1.00 94.65 C +ATOM 1234 N LYS A 157 7.501 1.009 5.180 1.00 96.64 N +ATOM 1235 CA LYS A 157 7.863 0.676 3.802 1.00 96.53 C +ATOM 1236 C LYS A 157 6.717 -0.059 3.109 1.00 96.61 C +ATOM 1237 O LYS A 157 6.178 -1.016 3.651 1.00 96.29 O +ATOM 1238 CB LYS A 157 9.140 -0.170 3.774 1.00 96.20 C +ATOM 1239 CG LYS A 157 10.315 0.560 4.428 1.00 95.45 C +ATOM 1240 CD LYS A 157 11.629 -0.187 4.231 1.00 94.69 C +ATOM 1241 CE LYS A 157 12.744 0.584 4.920 1.00 93.20 C +ATOM 1242 NZ LYS A 157 14.080 0.088 4.526 1.00 91.23 N1+ +ATOM 1243 N ILE A 158 6.398 0.364 1.911 1.00 96.39 N +ATOM 1244 CA ILE A 158 5.405 -0.296 1.067 1.00 96.43 C +ATOM 1245 C ILE A 158 6.031 -1.557 0.469 1.00 96.47 C +ATOM 1246 O ILE A 158 7.153 -1.526 -0.039 1.00 96.24 O +ATOM 1247 CB ILE A 158 4.887 0.664 -0.018 1.00 96.37 C +ATOM 1248 CG1 ILE A 158 4.286 1.937 0.615 1.00 96.04 C +ATOM 1249 CG2 ILE A 158 3.831 -0.030 -0.897 1.00 96.01 C +ATOM 1250 CD1 ILE A 158 4.091 3.071 -0.389 1.00 95.38 C +ATOM 1251 N GLY A 159 5.304 -2.652 0.520 1.00 95.45 N +ATOM 1252 CA GLY A 159 5.684 -3.927 -0.071 1.00 95.15 C +ATOM 1253 C GLY A 159 4.589 -4.525 -0.952 1.00 95.30 C +ATOM 1254 O GLY A 159 3.581 -3.893 -1.258 1.00 94.47 O +ATOM 1255 N ASP A 160 4.787 -5.759 -1.348 1.00 94.18 N +ATOM 1256 CA ASP A 160 3.909 -6.577 -2.196 1.00 94.03 C +ATOM 1257 C ASP A 160 3.515 -5.926 -3.534 1.00 94.32 C +ATOM 1258 O ASP A 160 2.355 -5.621 -3.810 1.00 93.14 O +ATOM 1259 CB ASP A 160 2.719 -7.133 -1.420 1.00 92.46 C +ATOM 1260 CG ASP A 160 2.060 -8.301 -2.164 1.00 85.34 C +ATOM 1261 OD1 ASP A 160 2.595 -8.775 -3.185 1.00 73.00 O +ATOM 1262 OD2 ASP A 160 1.012 -8.771 -1.707 1.00 71.17 O +ATOM 1263 N PHE A 161 4.479 -5.815 -4.406 1.00 95.09 N +ATOM 1264 CA PHE A 161 4.302 -5.304 -5.767 1.00 95.08 C +ATOM 1265 C PHE A 161 3.712 -6.344 -6.749 1.00 94.96 C +ATOM 1266 O PHE A 161 3.759 -6.144 -7.957 1.00 93.72 O +ATOM 1267 CB PHE A 161 5.622 -4.712 -6.245 1.00 94.64 C +ATOM 1268 CG PHE A 161 5.993 -3.453 -5.491 1.00 94.70 C +ATOM 1269 CD1 PHE A 161 5.613 -2.200 -5.996 1.00 93.46 C +ATOM 1270 CD2 PHE A 161 6.656 -3.528 -4.260 1.00 93.26 C +ATOM 1271 CE1 PHE A 161 5.869 -1.035 -5.261 1.00 92.13 C +ATOM 1272 CE2 PHE A 161 6.911 -2.368 -3.508 1.00 92.43 C +ATOM 1273 CZ PHE A 161 6.513 -1.122 -4.012 1.00 92.72 C +ATOM 1274 N GLY A 162 3.123 -7.410 -6.236 1.00 94.47 N +ATOM 1275 CA GLY A 162 2.582 -8.496 -7.057 1.00 94.20 C +ATOM 1276 C GLY A 162 1.471 -8.084 -8.024 1.00 94.50 C +ATOM 1277 O GLY A 162 1.335 -8.665 -9.102 1.00 93.65 O +ATOM 1278 N LEU A 163 0.695 -7.068 -7.688 1.00 94.97 N +ATOM 1279 CA LEU A 163 -0.331 -6.492 -8.544 1.00 95.08 C +ATOM 1280 C LEU A 163 0.126 -5.219 -9.272 1.00 95.12 C +ATOM 1281 O LEU A 163 -0.621 -4.731 -10.122 1.00 94.53 O +ATOM 1282 CB LEU A 163 -1.609 -6.243 -7.741 1.00 94.82 C +ATOM 1283 CG LEU A 163 -2.330 -7.518 -7.271 1.00 94.08 C +ATOM 1284 CD1 LEU A 163 -3.618 -7.124 -6.521 1.00 93.35 C +ATOM 1285 CD2 LEU A 163 -2.753 -8.400 -8.447 1.00 92.61 C +ATOM 1286 N ALA A 164 1.289 -4.691 -8.958 1.00 95.61 N +ATOM 1287 CA ALA A 164 1.770 -3.454 -9.545 1.00 95.53 C +ATOM 1288 C ALA A 164 1.905 -3.566 -11.070 1.00 95.60 C +ATOM 1289 O ALA A 164 2.265 -4.608 -11.612 1.00 94.96 O +ATOM 1290 CB ALA A 164 3.078 -3.042 -8.877 1.00 95.10 C +ATOM 1291 N LYS A 165 1.599 -2.485 -11.768 1.00 95.21 N +ATOM 1292 CA LYS A 165 1.673 -2.416 -13.232 1.00 94.96 C +ATOM 1293 C LYS A 165 2.270 -1.084 -13.665 1.00 95.24 C +ATOM 1294 O LYS A 165 1.972 -0.056 -13.079 1.00 94.75 O +ATOM 1295 CB LYS A 165 0.280 -2.595 -13.845 1.00 94.07 C +ATOM 1296 CG LYS A 165 -0.309 -3.997 -13.642 1.00 89.53 C +ATOM 1297 CD LYS A 165 0.488 -5.109 -14.322 1.00 85.26 C +ATOM 1298 CE LYS A 165 -0.144 -6.461 -14.036 1.00 78.62 C +ATOM 1299 NZ LYS A 165 0.694 -7.556 -14.598 1.00 71.98 N1+ +ATOM 1300 N ALA A 166 3.043 -1.129 -14.717 1.00 94.58 N +ATOM 1301 CA ALA A 166 3.434 0.055 -15.460 1.00 94.50 C +ATOM 1302 C ALA A 166 2.218 0.620 -16.196 1.00 94.48 C +ATOM 1303 O ALA A 166 1.464 -0.127 -16.836 1.00 93.64 O +ATOM 1304 CB ALA A 166 4.570 -0.297 -16.409 1.00 93.80 C +ATOM 1305 N VAL A 167 2.045 1.921 -16.129 1.00 92.83 N +ATOM 1306 CA VAL A 167 1.084 2.627 -16.968 1.00 92.56 C +ATOM 1307 C VAL A 167 1.720 2.823 -18.334 1.00 92.39 C +ATOM 1308 O VAL A 167 2.793 3.417 -18.414 1.00 91.38 O +ATOM 1309 CB VAL A 167 0.661 3.966 -16.346 1.00 91.89 C +ATOM 1310 CG1 VAL A 167 0.047 3.730 -14.972 1.00 90.48 C +ATOM 1311 CG2 VAL A 167 -0.398 4.660 -17.213 1.00 90.72 C +ATOM 1312 N PRO A 168 1.109 2.345 -19.405 1.00 89.57 N +ATOM 1313 CA PRO A 168 1.659 2.537 -20.738 1.00 88.87 C +ATOM 1314 C PRO A 168 1.807 4.008 -21.095 1.00 88.80 C +ATOM 1315 O PRO A 168 0.939 4.825 -20.743 1.00 87.44 O +ATOM 1316 CB PRO A 168 0.703 1.828 -21.707 1.00 87.42 C +ATOM 1317 CG PRO A 168 -0.012 0.819 -20.830 1.00 85.87 C +ATOM 1318 CD PRO A 168 -0.085 1.529 -19.487 1.00 87.30 C +ATOM 1319 N GLU A 169 2.843 4.356 -21.758 1.00 86.50 N +ATOM 1320 CA GLU A 169 3.081 5.735 -22.188 1.00 86.04 C +ATOM 1321 C GLU A 169 1.904 6.274 -22.998 1.00 86.15 C +ATOM 1322 O GLU A 169 1.331 5.578 -23.831 1.00 82.12 O +ATOM 1323 CB GLU A 169 4.393 5.811 -22.989 1.00 82.79 C +ATOM 1324 CG GLU A 169 4.838 7.241 -23.210 1.00 75.77 C +ATOM 1325 CD GLU A 169 6.203 7.348 -23.927 1.00 70.14 C +ATOM 1326 OE1 GLU A 169 6.732 8.481 -23.981 1.00 60.63 O +ATOM 1327 OE2 GLU A 169 6.718 6.322 -24.410 1.00 59.03 O +ATOM 1328 N GLY A 170 1.516 7.505 -22.709 1.00 86.62 N +ATOM 1329 CA GLY A 170 0.352 8.141 -23.332 1.00 86.48 C +ATOM 1330 C GLY A 170 -1.009 7.628 -22.819 1.00 87.27 C +ATOM 1331 O GLY A 170 -2.035 8.052 -23.349 1.00 85.42 O +ATOM 1332 N HIS A 171 -1.035 6.777 -21.793 1.00 87.15 N +ATOM 1333 CA HIS A 171 -2.255 6.323 -21.147 1.00 87.26 C +ATOM 1334 C HIS A 171 -2.368 6.884 -19.742 1.00 88.09 C +ATOM 1335 O HIS A 171 -1.377 7.112 -19.061 1.00 86.38 O +ATOM 1336 CB HIS A 171 -2.306 4.795 -21.151 1.00 86.13 C +ATOM 1337 CG HIS A 171 -2.439 4.169 -22.511 1.00 86.10 C +ATOM 1338 ND1 HIS A 171 -1.424 4.090 -23.446 1.00 77.43 N1+ +ATOM 1339 CD2 HIS A 171 -3.566 3.616 -23.062 1.00 77.46 C +ATOM 1340 CE1 HIS A 171 -1.935 3.501 -24.556 1.00 76.56 C +ATOM 1341 NE2 HIS A 171 -3.212 3.191 -24.363 1.00 79.13 N +ATOM 1342 N GLU A 172 -3.581 7.059 -19.292 1.00 89.11 N +ATOM 1343 CA GLU A 172 -3.884 7.520 -17.941 1.00 89.06 C +ATOM 1344 C GLU A 172 -4.207 6.376 -17.000 1.00 89.93 C +ATOM 1345 O GLU A 172 -4.208 6.546 -15.772 1.00 87.71 O +ATOM 1346 CB GLU A 172 -5.041 8.510 -17.980 1.00 86.22 C +ATOM 1347 CG GLU A 172 -4.716 9.767 -18.772 1.00 79.21 C +ATOM 1348 CD GLU A 172 -5.835 10.798 -18.773 1.00 76.28 C +ATOM 1349 OE1 GLU A 172 -5.556 11.964 -19.175 1.00 64.37 O +ATOM 1350 OE2 GLU A 172 -6.977 10.454 -18.370 1.00 62.32 O +ATOM 1351 N TYR A 173 -4.462 5.198 -17.525 1.00 91.02 N +ATOM 1352 CA TYR A 173 -4.859 4.036 -16.750 1.00 91.70 C +ATOM 1353 C TYR A 173 -4.293 2.733 -17.327 1.00 91.94 C +ATOM 1354 O TYR A 173 -3.973 2.610 -18.505 1.00 90.30 O +ATOM 1355 CB TYR A 173 -6.391 3.966 -16.681 1.00 90.61 C +ATOM 1356 CG TYR A 173 -7.100 3.739 -17.998 1.00 90.96 C +ATOM 1357 CD1 TYR A 173 -7.543 4.830 -18.768 1.00 89.76 C +ATOM 1358 CD2 TYR A 173 -7.347 2.430 -18.481 1.00 89.91 C +ATOM 1359 CE1 TYR A 173 -8.192 4.630 -19.987 1.00 88.87 C +ATOM 1360 CE2 TYR A 173 -7.987 2.209 -19.697 1.00 89.13 C +ATOM 1361 CZ TYR A 173 -8.417 3.314 -20.446 1.00 89.46 C +ATOM 1362 OH TYR A 173 -9.053 3.111 -21.650 1.00 86.95 O +ATOM 1363 N TYR A 174 -4.273 1.734 -16.484 1.00 92.04 N +ATOM 1364 CA TYR A 174 -4.073 0.344 -16.850 1.00 92.05 C +ATOM 1365 C TYR A 174 -5.422 -0.393 -16.817 1.00 92.12 C +ATOM 1366 O TYR A 174 -6.221 -0.173 -15.914 1.00 90.96 O +ATOM 1367 CB TYR A 174 -3.052 -0.288 -15.908 1.00 90.89 C +ATOM 1368 CG TYR A 174 -2.807 -1.747 -16.198 1.00 89.48 C +ATOM 1369 CD1 TYR A 174 -1.944 -2.126 -17.255 1.00 87.24 C +ATOM 1370 CD2 TYR A 174 -3.475 -2.744 -15.462 1.00 86.40 C +ATOM 1371 CE1 TYR A 174 -1.753 -3.480 -17.562 1.00 84.67 C +ATOM 1372 CE2 TYR A 174 -3.284 -4.096 -15.769 1.00 85.53 C +ATOM 1373 CZ TYR A 174 -2.419 -4.458 -16.806 1.00 85.21 C +ATOM 1374 OH TYR A 174 -2.227 -5.788 -17.111 1.00 82.77 O +ATOM 1375 N ARG A 175 -5.670 -1.278 -17.758 1.00 91.05 N +ATOM 1376 CA ARG A 175 -6.893 -2.098 -17.791 1.00 90.74 C +ATOM 1377 C ARG A 175 -6.575 -3.558 -17.536 1.00 90.60 C +ATOM 1378 O ARG A 175 -5.769 -4.143 -18.259 1.00 89.46 O +ATOM 1379 CB ARG A 175 -7.643 -1.885 -19.109 1.00 89.87 C +ATOM 1380 CG ARG A 175 -9.085 -2.361 -18.985 1.00 86.26 C +ATOM 1381 CD ARG A 175 -9.841 -2.056 -20.271 1.00 85.56 C +ATOM 1382 NE ARG A 175 -11.290 -2.096 -20.059 1.00 81.88 N +ATOM 1383 CZ ARG A 175 -12.222 -1.703 -20.905 1.00 80.04 C +ATOM 1384 NH1 ARG A 175 -11.936 -1.313 -22.131 1.00 74.27 N +ATOM 1385 NH2 ARG A 175 -13.469 -1.666 -20.574 1.00 74.88 N1+ +ATOM 1386 N VAL A 176 -7.223 -4.133 -16.548 1.00 87.34 N +ATOM 1387 CA VAL A 176 -7.095 -5.559 -16.252 1.00 86.91 C +ATOM 1388 C VAL A 176 -8.037 -6.356 -17.145 1.00 86.53 C +ATOM 1389 O VAL A 176 -9.128 -5.914 -17.461 1.00 83.66 O +ATOM 1390 CB VAL A 176 -7.343 -5.832 -14.759 1.00 84.85 C +ATOM 1391 CG1 VAL A 176 -6.334 -5.049 -13.919 1.00 82.92 C +ATOM 1392 CG2 VAL A 176 -7.176 -7.303 -14.392 1.00 82.17 C +ATOM 1393 N ARG A 177 -7.593 -7.519 -17.553 1.00 79.78 N +ATOM 1394 CA ARG A 177 -8.384 -8.435 -18.378 1.00 78.94 C +ATOM 1395 C ARG A 177 -8.635 -9.791 -17.717 1.00 79.24 C +ATOM 1396 O ARG A 177 -9.279 -10.624 -18.313 1.00 72.78 O +ATOM 1397 CB ARG A 177 -7.709 -8.636 -19.744 1.00 74.13 C +ATOM 1398 CG ARG A 177 -7.617 -7.348 -20.564 1.00 67.44 C +ATOM 1399 CD ARG A 177 -7.045 -7.696 -21.935 1.00 62.73 C +ATOM 1400 NE ARG A 177 -6.916 -6.501 -22.772 1.00 57.52 N +ATOM 1401 CZ ARG A 177 -6.491 -6.503 -24.023 1.00 49.87 C +ATOM 1402 NH1 ARG A 177 -6.130 -7.604 -24.625 1.00 48.57 N +ATOM 1403 NH2 ARG A 177 -6.410 -5.379 -24.661 1.00 44.67 N1+ +ATOM 1404 N GLU A 178 -8.073 -9.997 -16.563 1.00 74.59 N +ATOM 1405 CA GLU A 178 -8.060 -11.274 -15.884 1.00 72.54 C +ATOM 1406 C GLU A 178 -8.875 -11.200 -14.601 1.00 72.74 C +ATOM 1407 O GLU A 178 -8.669 -10.302 -13.782 1.00 67.74 O +ATOM 1408 CB GLU A 178 -6.607 -11.664 -15.598 1.00 67.97 C +ATOM 1409 CG GLU A 178 -5.801 -11.841 -16.875 1.00 62.41 C +ATOM 1410 CD GLU A 178 -4.297 -12.015 -16.635 1.00 58.39 C +ATOM 1411 OE1 GLU A 178 -3.529 -11.946 -17.631 1.00 50.31 O +ATOM 1412 OE2 GLU A 178 -3.900 -12.259 -15.474 1.00 48.10 O +ATOM 1413 N ASP A 179 -9.764 -12.170 -14.430 1.00 71.80 N +ATOM 1414 CA ASP A 179 -10.405 -12.396 -13.156 1.00 71.56 C +ATOM 1415 C ASP A 179 -9.414 -13.078 -12.203 1.00 72.17 C +ATOM 1416 O ASP A 179 -8.646 -13.960 -12.596 1.00 67.52 O +ATOM 1417 CB ASP A 179 -11.667 -13.234 -13.345 1.00 67.51 C +ATOM 1418 CG ASP A 179 -12.758 -12.492 -14.086 1.00 64.58 C +ATOM 1419 OD1 ASP A 179 -12.860 -11.259 -13.915 1.00 56.32 O +ATOM 1420 OD2 ASP A 179 -13.505 -13.157 -14.833 1.00 56.27 O +ATOM 1421 N GLY A 180 -9.442 -12.691 -10.953 1.00 73.98 N +ATOM 1422 CA GLY A 180 -8.607 -13.277 -9.924 1.00 73.07 C +ATOM 1423 C GLY A 180 -8.949 -12.723 -8.556 1.00 74.52 C +ATOM 1424 O GLY A 180 -9.766 -11.805 -8.438 1.00 70.17 O +ATOM 1425 N ASP A 181 -8.308 -13.226 -7.533 1.00 78.49 N +ATOM 1426 CA ASP A 181 -8.467 -12.733 -6.169 1.00 79.36 C +ATOM 1427 C ASP A 181 -7.972 -11.289 -6.072 1.00 80.70 C +ATOM 1428 O ASP A 181 -6.784 -11.009 -5.960 1.00 77.83 O +ATOM 1429 CB ASP A 181 -7.755 -13.653 -5.178 1.00 76.05 C +ATOM 1430 CG ASP A 181 -8.506 -14.944 -4.913 1.00 72.76 C +ATOM 1431 OD1 ASP A 181 -9.728 -14.973 -5.139 1.00 66.63 O +ATOM 1432 OD2 ASP A 181 -7.853 -15.911 -4.468 1.00 67.16 O +ATOM 1433 N SER A 182 -8.913 -10.389 -6.142 1.00 88.21 N +ATOM 1434 CA SER A 182 -8.673 -8.960 -6.087 1.00 88.58 C +ATOM 1435 C SER A 182 -9.105 -8.407 -4.727 1.00 89.04 C +ATOM 1436 O SER A 182 -10.161 -8.792 -4.218 1.00 87.93 O +ATOM 1437 CB SER A 182 -9.417 -8.269 -7.215 1.00 87.28 C +ATOM 1438 OG SER A 182 -8.854 -8.628 -8.476 1.00 83.44 O +ATOM 1439 N PRO A 183 -8.369 -7.468 -4.145 1.00 92.74 N +ATOM 1440 CA PRO A 183 -8.726 -6.833 -2.884 1.00 92.77 C +ATOM 1441 C PRO A 183 -9.863 -5.816 -3.080 1.00 93.10 C +ATOM 1442 O PRO A 183 -9.663 -4.618 -2.898 1.00 92.36 O +ATOM 1443 CB PRO A 183 -7.417 -6.233 -2.371 1.00 91.97 C +ATOM 1444 CG PRO A 183 -6.689 -5.841 -3.656 1.00 90.74 C +ATOM 1445 CD PRO A 183 -7.071 -6.981 -4.603 1.00 92.14 C +ATOM 1446 N VAL A 184 -11.040 -6.290 -3.436 1.00 95.07 N +ATOM 1447 CA VAL A 184 -12.177 -5.481 -3.894 1.00 95.09 C +ATOM 1448 C VAL A 184 -12.604 -4.409 -2.889 1.00 95.21 C +ATOM 1449 O VAL A 184 -12.974 -3.308 -3.296 1.00 94.74 O +ATOM 1450 CB VAL A 184 -13.377 -6.358 -4.281 1.00 94.55 C +ATOM 1451 CG1 VAL A 184 -13.023 -7.242 -5.481 1.00 93.13 C +ATOM 1452 CG2 VAL A 184 -13.870 -7.239 -3.129 1.00 92.87 C +ATOM 1453 N PHE A 185 -12.481 -4.661 -1.606 1.00 94.89 N +ATOM 1454 CA PHE A 185 -12.835 -3.692 -0.560 1.00 95.01 C +ATOM 1455 C PHE A 185 -11.881 -2.489 -0.460 1.00 95.05 C +ATOM 1456 O PHE A 185 -12.208 -1.514 0.196 1.00 94.71 O +ATOM 1457 CB PHE A 185 -12.926 -4.421 0.778 1.00 94.92 C +ATOM 1458 CG PHE A 185 -13.946 -5.539 0.786 1.00 94.95 C +ATOM 1459 CD1 PHE A 185 -15.328 -5.257 0.714 1.00 94.41 C +ATOM 1460 CD2 PHE A 185 -13.529 -6.879 0.873 1.00 94.40 C +ATOM 1461 CE1 PHE A 185 -16.253 -6.306 0.740 1.00 93.74 C +ATOM 1462 CE2 PHE A 185 -14.455 -7.921 0.888 1.00 93.68 C +ATOM 1463 CZ PHE A 185 -15.812 -7.633 0.821 1.00 93.72 C +ATOM 1464 N TRP A 186 -10.769 -2.538 -1.131 1.00 94.89 N +ATOM 1465 CA TRP A 186 -9.858 -1.408 -1.309 1.00 94.91 C +ATOM 1466 C TRP A 186 -9.997 -0.733 -2.685 1.00 94.98 C +ATOM 1467 O TRP A 186 -9.288 0.234 -2.946 1.00 94.81 O +ATOM 1468 CB TRP A 186 -8.410 -1.855 -1.074 1.00 94.97 C +ATOM 1469 CG TRP A 186 -8.072 -2.121 0.364 1.00 95.18 C +ATOM 1470 CD1 TRP A 186 -7.375 -1.301 1.183 1.00 95.01 C +ATOM 1471 CD2 TRP A 186 -8.438 -3.301 1.167 1.00 95.17 C +ATOM 1472 NE1 TRP A 186 -7.289 -1.882 2.453 1.00 94.81 N +ATOM 1473 CE2 TRP A 186 -7.933 -3.091 2.479 1.00 94.90 C +ATOM 1474 CE3 TRP A 186 -9.139 -4.506 0.917 1.00 94.85 C +ATOM 1475 CZ2 TRP A 186 -8.140 -4.035 3.528 1.00 94.45 C +ATOM 1476 CZ3 TRP A 186 -9.341 -5.436 1.962 1.00 94.54 C +ATOM 1477 CH2 TRP A 186 -8.846 -5.196 3.251 1.00 94.38 C +ATOM 1478 N TYR A 187 -10.848 -1.242 -3.547 1.00 95.56 N +ATOM 1479 CA TYR A 187 -10.952 -0.766 -4.914 1.00 95.48 C +ATOM 1480 C TYR A 187 -11.974 0.357 -5.081 1.00 95.69 C +ATOM 1481 O TYR A 187 -13.070 0.309 -4.545 1.00 95.30 O +ATOM 1482 CB TYR A 187 -11.221 -1.927 -5.876 1.00 95.08 C +ATOM 1483 CG TYR A 187 -10.036 -2.816 -6.213 1.00 94.17 C +ATOM 1484 CD1 TYR A 187 -8.737 -2.579 -5.697 1.00 92.94 C +ATOM 1485 CD2 TYR A 187 -10.229 -3.877 -7.118 1.00 92.19 C +ATOM 1486 CE1 TYR A 187 -7.655 -3.389 -6.067 1.00 91.82 C +ATOM 1487 CE2 TYR A 187 -9.150 -4.693 -7.495 1.00 91.55 C +ATOM 1488 CZ TYR A 187 -7.866 -4.450 -6.977 1.00 91.68 C +ATOM 1489 OH TYR A 187 -6.819 -5.252 -7.363 1.00 91.28 O +ATOM 1490 N ALA A 188 -11.595 1.325 -5.889 1.00 95.46 N +ATOM 1491 CA ALA A 188 -12.462 2.391 -6.349 1.00 95.41 C +ATOM 1492 C ALA A 188 -13.539 1.880 -7.329 1.00 95.46 C +ATOM 1493 O ALA A 188 -13.348 0.839 -7.967 1.00 95.30 O +ATOM 1494 CB ALA A 188 -11.573 3.453 -6.990 1.00 95.29 C +ATOM 1495 N PRO A 189 -14.620 2.618 -7.536 1.00 94.98 N +ATOM 1496 CA PRO A 189 -15.703 2.212 -8.433 1.00 94.78 C +ATOM 1497 C PRO A 189 -15.264 1.864 -9.859 1.00 94.83 C +ATOM 1498 O PRO A 189 -15.685 0.853 -10.403 1.00 94.53 O +ATOM 1499 CB PRO A 189 -16.671 3.401 -8.434 1.00 94.48 C +ATOM 1500 CG PRO A 189 -16.491 4.012 -7.053 1.00 93.70 C +ATOM 1501 CD PRO A 189 -14.997 3.818 -6.798 1.00 94.49 C +ATOM 1502 N GLU A 190 -14.354 2.624 -10.439 1.00 94.66 N +ATOM 1503 CA GLU A 190 -13.834 2.352 -11.793 1.00 94.61 C +ATOM 1504 C GLU A 190 -13.054 1.046 -11.893 1.00 94.50 C +ATOM 1505 O GLU A 190 -12.999 0.431 -12.947 1.00 93.93 O +ATOM 1506 CB GLU A 190 -12.975 3.549 -12.282 1.00 94.37 C +ATOM 1507 CG GLU A 190 -11.626 3.770 -11.613 1.00 93.58 C +ATOM 1508 CD GLU A 190 -11.647 4.529 -10.271 1.00 93.55 C +ATOM 1509 OE1 GLU A 190 -10.568 4.763 -9.700 1.00 87.06 O +ATOM 1510 OE2 GLU A 190 -12.721 4.914 -9.790 1.00 85.83 O +ATOM 1511 N CYS A 191 -12.441 0.599 -10.786 1.00 95.10 N +ATOM 1512 CA CYS A 191 -11.761 -0.684 -10.735 1.00 94.95 C +ATOM 1513 C CYS A 191 -12.763 -1.845 -10.691 1.00 94.89 C +ATOM 1514 O CYS A 191 -12.557 -2.861 -11.343 1.00 94.40 O +ATOM 1515 CB CYS A 191 -10.852 -0.742 -9.508 1.00 94.77 C +ATOM 1516 SG CYS A 191 -9.689 0.642 -9.435 1.00 94.19 S +ATOM 1517 N LEU A 192 -13.837 -1.674 -9.937 1.00 94.43 N +ATOM 1518 CA LEU A 192 -14.876 -2.685 -9.771 1.00 94.34 C +ATOM 1519 C LEU A 192 -15.736 -2.848 -11.017 1.00 94.30 C +ATOM 1520 O LEU A 192 -16.089 -3.959 -11.383 1.00 93.88 O +ATOM 1521 CB LEU A 192 -15.749 -2.298 -8.570 1.00 94.26 C +ATOM 1522 CG LEU A 192 -15.037 -2.248 -7.206 1.00 93.78 C +ATOM 1523 CD1 LEU A 192 -16.019 -1.744 -6.139 1.00 93.06 C +ATOM 1524 CD2 LEU A 192 -14.534 -3.622 -6.771 1.00 92.86 C +ATOM 1525 N LYS A 193 -16.079 -1.745 -11.644 1.00 93.95 N +ATOM 1526 CA LYS A 193 -17.059 -1.691 -12.740 1.00 93.62 C +ATOM 1527 C LYS A 193 -16.424 -1.786 -14.117 1.00 93.67 C +ATOM 1528 O LYS A 193 -16.969 -2.424 -15.007 1.00 92.67 O +ATOM 1529 CB LYS A 193 -17.867 -0.389 -12.570 1.00 92.68 C +ATOM 1530 CG LYS A 193 -19.102 -0.320 -13.451 1.00 88.05 C +ATOM 1531 CD LYS A 193 -19.879 0.938 -13.096 1.00 85.78 C +ATOM 1532 CE LYS A 193 -21.177 1.029 -13.869 1.00 78.89 C +ATOM 1533 NZ LYS A 193 -22.009 2.154 -13.369 1.00 73.31 N1+ +ATOM 1534 N GLU A 194 -15.297 -1.159 -14.310 1.00 93.47 N +ATOM 1535 CA GLU A 194 -14.661 -1.010 -15.636 1.00 93.24 C +ATOM 1536 C GLU A 194 -13.307 -1.699 -15.749 1.00 93.53 C +ATOM 1537 O GLU A 194 -12.693 -1.679 -16.830 1.00 92.12 O +ATOM 1538 CB GLU A 194 -14.516 0.483 -15.979 1.00 91.87 C +ATOM 1539 CG GLU A 194 -15.820 1.246 -15.960 1.00 84.75 C +ATOM 1540 CD GLU A 194 -15.629 2.703 -16.394 1.00 78.76 C +ATOM 1541 OE1 GLU A 194 -16.623 3.432 -16.412 1.00 67.54 O +ATOM 1542 OE2 GLU A 194 -14.484 3.082 -16.781 1.00 64.82 O +ATOM 1543 N TYR A 195 -12.819 -2.283 -14.702 1.00 92.99 N +ATOM 1544 CA TYR A 195 -11.485 -2.885 -14.618 1.00 92.85 C +ATOM 1545 C TYR A 195 -10.343 -1.914 -14.986 1.00 93.18 C +ATOM 1546 O TYR A 195 -9.280 -2.331 -15.435 1.00 91.97 O +ATOM 1547 CB TYR A 195 -11.442 -4.188 -15.423 1.00 91.56 C +ATOM 1548 CG TYR A 195 -12.498 -5.190 -15.011 1.00 88.80 C +ATOM 1549 CD1 TYR A 195 -12.229 -6.131 -13.995 1.00 85.03 C +ATOM 1550 CD2 TYR A 195 -13.759 -5.199 -15.643 1.00 82.56 C +ATOM 1551 CE1 TYR A 195 -13.212 -7.060 -13.609 1.00 77.88 C +ATOM 1552 CE2 TYR A 195 -14.745 -6.110 -15.261 1.00 79.07 C +ATOM 1553 CZ TYR A 195 -14.464 -7.044 -14.240 1.00 78.07 C +ATOM 1554 OH TYR A 195 -15.417 -7.961 -13.863 1.00 76.28 O +ATOM 1555 N LYS A 196 -10.577 -0.626 -14.766 1.00 93.69 N +ATOM 1556 CA LYS A 196 -9.595 0.430 -15.008 1.00 93.40 C +ATOM 1557 C LYS A 196 -8.909 0.833 -13.705 1.00 93.57 C +ATOM 1558 O LYS A 196 -9.567 1.075 -12.711 1.00 92.66 O +ATOM 1559 CB LYS A 196 -10.263 1.650 -15.640 1.00 92.59 C +ATOM 1560 CG LYS A 196 -10.757 1.402 -17.078 1.00 89.28 C +ATOM 1561 CD LYS A 196 -11.461 2.659 -17.563 1.00 86.51 C +ATOM 1562 CE LYS A 196 -12.153 2.503 -18.912 1.00 81.77 C +ATOM 1563 NZ LYS A 196 -13.143 3.612 -19.090 1.00 77.00 N1+ +ATOM 1564 N PHE A 197 -7.614 0.956 -13.771 1.00 93.66 N +ATOM 1565 CA PHE A 197 -6.773 1.378 -12.650 1.00 93.84 C +ATOM 1566 C PHE A 197 -6.005 2.633 -13.047 1.00 93.79 C +ATOM 1567 O PHE A 197 -5.084 2.564 -13.861 1.00 92.42 O +ATOM 1568 CB PHE A 197 -5.833 0.251 -12.249 1.00 92.78 C +ATOM 1569 CG PHE A 197 -6.547 -0.941 -11.653 1.00 90.45 C +ATOM 1570 CD1 PHE A 197 -6.618 -1.087 -10.258 1.00 85.92 C +ATOM 1571 CD2 PHE A 197 -7.167 -1.892 -12.481 1.00 87.60 C +ATOM 1572 CE1 PHE A 197 -7.318 -2.168 -9.697 1.00 86.58 C +ATOM 1573 CE2 PHE A 197 -7.875 -2.971 -11.926 1.00 86.03 C +ATOM 1574 CZ PHE A 197 -7.946 -3.107 -10.535 1.00 85.80 C +ATOM 1575 N TYR A 198 -6.395 3.736 -12.455 1.00 94.64 N +ATOM 1576 CA TYR A 198 -5.715 5.022 -12.541 1.00 94.46 C +ATOM 1577 C TYR A 198 -4.758 5.189 -11.371 1.00 94.56 C +ATOM 1578 O TYR A 198 -4.867 4.493 -10.366 1.00 93.95 O +ATOM 1579 CB TYR A 198 -6.773 6.139 -12.541 1.00 93.89 C +ATOM 1580 CG TYR A 198 -7.723 6.097 -13.713 1.00 93.17 C +ATOM 1581 CD1 TYR A 198 -7.499 6.928 -14.829 1.00 91.89 C +ATOM 1582 CD2 TYR A 198 -8.853 5.254 -13.699 1.00 90.69 C +ATOM 1583 CE1 TYR A 198 -8.387 6.892 -15.916 1.00 89.92 C +ATOM 1584 CE2 TYR A 198 -9.735 5.204 -14.786 1.00 90.88 C +ATOM 1585 CZ TYR A 198 -9.507 6.030 -15.892 1.00 90.68 C +ATOM 1586 OH TYR A 198 -10.375 6.016 -16.972 1.00 88.60 O +ATOM 1587 N TYR A 199 -3.896 6.186 -11.433 1.00 95.70 N +ATOM 1588 CA TYR A 199 -3.163 6.646 -10.247 1.00 95.62 C +ATOM 1589 C TYR A 199 -4.116 7.034 -9.105 1.00 95.68 C +ATOM 1590 O TYR A 199 -3.921 6.637 -7.961 1.00 95.28 O +ATOM 1591 CB TYR A 199 -2.284 7.831 -10.626 1.00 95.32 C +ATOM 1592 CG TYR A 199 -1.210 7.512 -11.642 1.00 94.92 C +ATOM 1593 CD1 TYR A 199 -0.154 6.657 -11.297 1.00 94.17 C +ATOM 1594 CD2 TYR A 199 -1.260 8.072 -12.937 1.00 93.89 C +ATOM 1595 CE1 TYR A 199 0.859 6.363 -12.238 1.00 93.30 C +ATOM 1596 CE2 TYR A 199 -0.261 7.791 -13.872 1.00 93.27 C +ATOM 1597 CZ TYR A 199 0.793 6.938 -13.517 1.00 93.30 C +ATOM 1598 OH TYR A 199 1.806 6.666 -14.431 1.00 92.12 O +ATOM 1599 N ALA A 200 -5.219 7.673 -9.452 1.00 95.17 N +ATOM 1600 CA ALA A 200 -6.278 7.992 -8.497 1.00 95.07 C +ATOM 1601 C ALA A 200 -6.964 6.779 -7.870 1.00 95.32 C +ATOM 1602 O ALA A 200 -7.611 6.912 -6.828 1.00 94.98 O +ATOM 1603 CB ALA A 200 -7.279 8.875 -9.227 1.00 94.58 C +ATOM 1604 N SER A 201 -6.845 5.589 -8.450 1.00 95.95 N +ATOM 1605 CA SER A 201 -7.354 4.351 -7.842 1.00 95.89 C +ATOM 1606 C SER A 201 -6.491 3.901 -6.666 1.00 95.99 C +ATOM 1607 O SER A 201 -7.022 3.421 -5.670 1.00 95.76 O +ATOM 1608 CB SER A 201 -7.452 3.225 -8.867 1.00 95.69 C +ATOM 1609 OG SER A 201 -8.117 3.656 -10.056 1.00 95.13 O +ATOM 1610 N ASP A 202 -5.199 4.149 -6.734 1.00 96.26 N +ATOM 1611 CA ASP A 202 -4.325 3.952 -5.568 1.00 96.23 C +ATOM 1612 C ASP A 202 -4.613 4.961 -4.458 1.00 96.27 C +ATOM 1613 O ASP A 202 -4.567 4.608 -3.280 1.00 95.98 O +ATOM 1614 CB ASP A 202 -2.857 4.058 -5.976 1.00 96.14 C +ATOM 1615 CG ASP A 202 -2.275 2.818 -6.649 1.00 95.93 C +ATOM 1616 OD1 ASP A 202 -2.841 1.711 -6.526 1.00 95.06 O +ATOM 1617 OD2 ASP A 202 -1.180 2.956 -7.244 1.00 94.58 O +ATOM 1618 N VAL A 203 -4.988 6.190 -4.822 1.00 95.99 N +ATOM 1619 CA VAL A 203 -5.417 7.204 -3.840 1.00 96.07 C +ATOM 1620 C VAL A 203 -6.682 6.759 -3.105 1.00 96.12 C +ATOM 1621 O VAL A 203 -6.774 6.936 -1.888 1.00 95.96 O +ATOM 1622 CB VAL A 203 -5.625 8.561 -4.511 1.00 96.03 C +ATOM 1623 CG1 VAL A 203 -4.311 9.089 -5.094 1.00 95.83 C +ATOM 1624 CG2 VAL A 203 -6.136 9.616 -3.516 1.00 95.89 C +ATOM 1625 N TRP A 204 -7.613 6.135 -3.798 1.00 96.08 N +ATOM 1626 CA TRP A 204 -8.766 5.515 -3.130 1.00 96.07 C +ATOM 1627 C TRP A 204 -8.318 4.454 -2.129 1.00 96.03 C +ATOM 1628 O TRP A 204 -8.725 4.472 -0.962 1.00 95.75 O +ATOM 1629 CB TRP A 204 -9.710 4.910 -4.168 1.00 96.09 C +ATOM 1630 CG TRP A 204 -10.902 4.231 -3.574 1.00 96.18 C +ATOM 1631 CD1 TRP A 204 -10.906 3.066 -2.869 1.00 95.79 C +ATOM 1632 CD2 TRP A 204 -12.287 4.673 -3.626 1.00 95.87 C +ATOM 1633 NE1 TRP A 204 -12.210 2.783 -2.456 1.00 95.56 N +ATOM 1634 CE2 TRP A 204 -13.071 3.742 -2.903 1.00 95.75 C +ATOM 1635 CE3 TRP A 204 -12.947 5.769 -4.232 1.00 95.79 C +ATOM 1636 CZ2 TRP A 204 -14.487 3.892 -2.742 1.00 95.45 C +ATOM 1637 CZ3 TRP A 204 -14.345 5.921 -4.079 1.00 95.50 C +ATOM 1638 CH2 TRP A 204 -15.105 4.991 -3.345 1.00 95.37 C +ATOM 1639 N SER A 205 -7.440 3.549 -2.544 1.00 95.95 N +ATOM 1640 CA SER A 205 -6.899 2.501 -1.673 1.00 95.84 C +ATOM 1641 C SER A 205 -6.140 3.080 -0.480 1.00 95.94 C +ATOM 1642 O SER A 205 -6.237 2.546 0.624 1.00 95.72 O +ATOM 1643 CB SER A 205 -5.966 1.581 -2.458 1.00 95.63 C +ATOM 1644 OG SER A 205 -6.631 1.044 -3.599 1.00 94.58 O +ATOM 1645 N PHE A 206 -5.457 4.197 -0.670 1.00 96.50 N +ATOM 1646 CA PHE A 206 -4.832 4.931 0.422 1.00 96.52 C +ATOM 1647 C PHE A 206 -5.864 5.439 1.429 1.00 96.55 C +ATOM 1648 O PHE A 206 -5.644 5.278 2.627 1.00 96.40 O +ATOM 1649 CB PHE A 206 -3.992 6.083 -0.120 1.00 96.53 C +ATOM 1650 CG PHE A 206 -3.501 6.999 0.981 1.00 96.58 C +ATOM 1651 CD1 PHE A 206 -2.465 6.575 1.833 1.00 96.29 C +ATOM 1652 CD2 PHE A 206 -4.147 8.219 1.229 1.00 96.32 C +ATOM 1653 CE1 PHE A 206 -2.074 7.361 2.931 1.00 96.07 C +ATOM 1654 CE2 PHE A 206 -3.764 9.018 2.323 1.00 96.05 C +ATOM 1655 CZ PHE A 206 -2.733 8.586 3.182 1.00 96.02 C +ATOM 1656 N GLY A 207 -6.974 5.967 0.986 1.00 96.29 N +ATOM 1657 CA GLY A 207 -8.059 6.364 1.884 1.00 96.21 C +ATOM 1658 C GLY A 207 -8.558 5.202 2.744 1.00 96.36 C +ATOM 1659 O GLY A 207 -8.746 5.339 3.952 1.00 96.14 O +ATOM 1660 N VAL A 208 -8.676 4.011 2.149 1.00 96.26 N +ATOM 1661 CA VAL A 208 -9.018 2.783 2.875 1.00 96.24 C +ATOM 1662 C VAL A 208 -7.885 2.349 3.809 1.00 96.21 C +ATOM 1663 O VAL A 208 -8.141 1.937 4.936 1.00 96.04 O +ATOM 1664 CB VAL A 208 -9.399 1.648 1.907 1.00 96.24 C +ATOM 1665 CG1 VAL A 208 -10.545 2.054 0.969 1.00 96.09 C +ATOM 1666 CG2 VAL A 208 -9.874 0.410 2.683 1.00 96.20 C +ATOM 1667 N THR A 209 -6.652 2.499 3.398 1.00 96.34 N +ATOM 1668 CA THR A 209 -5.489 2.227 4.259 1.00 96.33 C +ATOM 1669 C THR A 209 -5.444 3.187 5.442 1.00 96.36 C +ATOM 1670 O THR A 209 -5.230 2.749 6.567 1.00 96.17 O +ATOM 1671 CB THR A 209 -4.182 2.310 3.463 1.00 96.28 C +ATOM 1672 OG1 THR A 209 -4.245 1.459 2.350 1.00 95.80 O +ATOM 1673 CG2 THR A 209 -2.964 1.896 4.282 1.00 95.66 C +ATOM 1674 N LEU A 210 -5.706 4.458 5.224 1.00 96.66 N +ATOM 1675 CA LEU A 210 -5.791 5.458 6.288 1.00 96.57 C +ATOM 1676 C LEU A 210 -6.893 5.116 7.286 1.00 96.61 C +ATOM 1677 O LEU A 210 -6.665 5.189 8.496 1.00 96.48 O +ATOM 1678 CB LEU A 210 -5.972 6.842 5.644 1.00 96.46 C +ATOM 1679 CG LEU A 210 -5.991 8.010 6.649 1.00 95.86 C +ATOM 1680 CD1 LEU A 210 -6.148 9.325 5.875 1.00 95.33 C +ATOM 1681 CD2 LEU A 210 -4.703 8.106 7.465 1.00 94.86 C +ATOM 1682 N TYR A 211 -8.036 4.639 6.802 1.00 95.96 N +ATOM 1683 CA TYR A 211 -9.095 4.103 7.666 1.00 95.97 C +ATOM 1684 C TYR A 211 -8.590 2.925 8.500 1.00 95.90 C +ATOM 1685 O TYR A 211 -8.802 2.900 9.706 1.00 95.67 O +ATOM 1686 CB TYR A 211 -10.303 3.723 6.802 1.00 95.97 C +ATOM 1687 CG TYR A 211 -11.349 2.913 7.543 1.00 96.01 C +ATOM 1688 CD1 TYR A 211 -12.401 3.562 8.219 1.00 95.65 C +ATOM 1689 CD2 TYR A 211 -11.237 1.510 7.591 1.00 95.63 C +ATOM 1690 CE1 TYR A 211 -13.325 2.806 8.953 1.00 95.28 C +ATOM 1691 CE2 TYR A 211 -12.160 0.759 8.334 1.00 95.24 C +ATOM 1692 CZ TYR A 211 -13.213 1.409 9.019 1.00 95.22 C +ATOM 1693 OH TYR A 211 -14.090 0.671 9.748 1.00 94.71 O +ATOM 1694 N GLU A 212 -7.876 1.982 7.904 1.00 96.09 N +ATOM 1695 CA GLU A 212 -7.278 0.871 8.646 1.00 96.07 C +ATOM 1696 C GLU A 212 -6.327 1.345 9.758 1.00 96.08 C +ATOM 1697 O GLU A 212 -6.406 0.847 10.880 1.00 95.82 O +ATOM 1698 CB GLU A 212 -6.505 -0.065 7.706 1.00 95.84 C +ATOM 1699 CG GLU A 212 -7.388 -0.855 6.741 1.00 94.99 C +ATOM 1700 CD GLU A 212 -6.532 -1.777 5.872 1.00 94.65 C +ATOM 1701 OE1 GLU A 212 -6.404 -2.955 6.234 1.00 87.51 O +ATOM 1702 OE2 GLU A 212 -5.963 -1.325 4.874 1.00 86.93 O +ATOM 1703 N LEU A 213 -5.486 2.331 9.480 1.00 96.27 N +ATOM 1704 CA LEU A 213 -4.588 2.901 10.483 1.00 96.10 C +ATOM 1705 C LEU A 213 -5.378 3.499 11.647 1.00 96.16 C +ATOM 1706 O LEU A 213 -5.095 3.203 12.813 1.00 95.86 O +ATOM 1707 CB LEU A 213 -3.671 3.974 9.872 1.00 95.86 C +ATOM 1708 CG LEU A 213 -2.757 3.516 8.716 1.00 94.90 C +ATOM 1709 CD1 LEU A 213 -1.783 4.629 8.355 1.00 94.17 C +ATOM 1710 CD2 LEU A 213 -1.969 2.276 9.061 1.00 93.46 C +ATOM 1711 N LEU A 214 -6.375 4.294 11.354 1.00 96.03 N +ATOM 1712 CA LEU A 214 -7.180 4.981 12.379 1.00 95.92 C +ATOM 1713 C LEU A 214 -8.109 4.052 13.161 1.00 95.95 C +ATOM 1714 O LEU A 214 -8.569 4.420 14.236 1.00 95.50 O +ATOM 1715 CB LEU A 214 -7.931 6.134 11.716 1.00 95.52 C +ATOM 1716 CG LEU A 214 -7.174 7.483 11.641 1.00 94.08 C +ATOM 1717 CD1 LEU A 214 -5.879 7.382 10.875 1.00 92.93 C +ATOM 1718 CD2 LEU A 214 -6.904 8.058 13.018 1.00 91.54 C +ATOM 1719 N THR A 215 -8.359 2.853 12.676 1.00 95.42 N +ATOM 1720 CA THR A 215 -9.006 1.763 13.413 1.00 95.29 C +ATOM 1721 C THR A 215 -8.014 0.837 14.104 1.00 95.26 C +ATOM 1722 O THR A 215 -8.424 -0.175 14.676 1.00 94.98 O +ATOM 1723 CB THR A 215 -9.957 0.959 12.521 1.00 95.14 C +ATOM 1724 OG1 THR A 215 -9.268 0.414 11.422 1.00 94.85 O +ATOM 1725 CG2 THR A 215 -11.108 1.794 11.998 1.00 94.79 C +ATOM 1726 N HIS A 216 -6.734 1.151 14.047 1.00 95.69 N +ATOM 1727 CA HIS A 216 -5.654 0.282 14.534 1.00 95.51 C +ATOM 1728 C HIS A 216 -5.690 -1.133 13.924 1.00 95.55 C +ATOM 1729 O HIS A 216 -5.299 -2.096 14.573 1.00 95.06 O +ATOM 1730 CB HIS A 216 -5.599 0.277 16.056 1.00 94.98 C +ATOM 1731 CG HIS A 216 -5.238 1.608 16.651 1.00 93.63 C +ATOM 1732 ND1 HIS A 216 -3.970 1.963 17.052 1.00 89.29 N1+ +ATOM 1733 CD2 HIS A 216 -6.060 2.667 16.921 1.00 86.14 C +ATOM 1734 CE1 HIS A 216 -4.017 3.205 17.560 1.00 86.26 C +ATOM 1735 NE2 HIS A 216 -5.280 3.671 17.482 1.00 88.40 N +ATOM 1736 N CYS A 217 -6.167 -1.272 12.719 1.00 95.18 N +ATOM 1737 CA CYS A 217 -6.402 -2.560 12.046 1.00 95.01 C +ATOM 1738 C CYS A 217 -7.246 -3.543 12.872 1.00 94.85 C +ATOM 1739 O CYS A 217 -7.063 -4.756 12.766 1.00 94.28 O +ATOM 1740 CB CYS A 217 -5.087 -3.160 11.562 1.00 94.67 C +ATOM 1741 SG CYS A 217 -4.253 -2.099 10.376 1.00 94.03 S +ATOM 1742 N ASP A 218 -8.163 -3.033 13.668 1.00 94.75 N +ATOM 1743 CA ASP A 218 -9.138 -3.874 14.380 1.00 94.64 C +ATOM 1744 C ASP A 218 -9.968 -4.676 13.368 1.00 94.77 C +ATOM 1745 O ASP A 218 -10.661 -4.117 12.514 1.00 94.25 O +ATOM 1746 CB ASP A 218 -10.013 -3.008 15.273 1.00 94.08 C +ATOM 1747 CG ASP A 218 -11.101 -3.782 16.039 1.00 92.48 C +ATOM 1748 OD1 ASP A 218 -11.260 -5.009 15.820 1.00 89.01 O +ATOM 1749 OD2 ASP A 218 -11.853 -3.133 16.795 1.00 87.06 O +ATOM 1750 N SER A 219 -9.895 -5.991 13.473 1.00 93.63 N +ATOM 1751 CA SER A 219 -10.574 -6.915 12.551 1.00 93.62 C +ATOM 1752 C SER A 219 -12.100 -6.731 12.544 1.00 93.86 C +ATOM 1753 O SER A 219 -12.729 -6.902 11.497 1.00 92.73 O +ATOM 1754 CB SER A 219 -10.209 -8.346 12.902 1.00 92.48 C +ATOM 1755 OG SER A 219 -10.610 -8.666 14.216 1.00 88.56 O +ATOM 1756 N SER A 220 -12.670 -6.324 13.652 1.00 94.37 N +ATOM 1757 CA SER A 220 -14.120 -6.041 13.737 1.00 94.18 C +ATOM 1758 C SER A 220 -14.525 -4.775 12.974 1.00 94.34 C +ATOM 1759 O SER A 220 -15.687 -4.615 12.602 1.00 93.67 O +ATOM 1760 CB SER A 220 -14.536 -5.921 15.206 1.00 93.43 C +ATOM 1761 OG SER A 220 -14.089 -4.729 15.817 1.00 90.60 O +ATOM 1762 N GLN A 221 -13.582 -3.911 12.709 1.00 94.04 N +ATOM 1763 CA GLN A 221 -13.770 -2.657 11.980 1.00 94.16 C +ATOM 1764 C GLN A 221 -13.111 -2.660 10.603 1.00 94.52 C +ATOM 1765 O GLN A 221 -13.135 -1.645 9.921 1.00 93.71 O +ATOM 1766 CB GLN A 221 -13.255 -1.486 12.828 1.00 93.31 C +ATOM 1767 CG GLN A 221 -13.997 -1.360 14.168 1.00 89.88 C +ATOM 1768 CD GLN A 221 -13.565 -0.104 14.909 1.00 87.79 C +ATOM 1769 OE1 GLN A 221 -13.745 0.999 14.435 1.00 80.61 O +ATOM 1770 NE2 GLN A 221 -12.965 -0.256 16.064 1.00 77.45 N +ATOM 1771 N SER A 222 -12.552 -3.779 10.185 1.00 94.65 N +ATOM 1772 CA SER A 222 -11.852 -3.875 8.906 1.00 94.68 C +ATOM 1773 C SER A 222 -12.761 -3.520 7.724 1.00 94.84 C +ATOM 1774 O SER A 222 -13.982 -3.721 7.809 1.00 94.48 O +ATOM 1775 CB SER A 222 -11.269 -5.282 8.728 1.00 94.17 C +ATOM 1776 OG SER A 222 -12.289 -6.233 8.480 1.00 92.60 O +ATOM 1777 N PRO A 223 -12.213 -3.048 6.600 1.00 94.85 N +ATOM 1778 CA PRO A 223 -13.009 -2.733 5.414 1.00 94.95 C +ATOM 1779 C PRO A 223 -13.910 -3.885 4.954 1.00 95.05 C +ATOM 1780 O PRO A 223 -15.100 -3.651 4.764 1.00 94.88 O +ATOM 1781 CB PRO A 223 -12.008 -2.287 4.348 1.00 94.81 C +ATOM 1782 CG PRO A 223 -10.847 -1.745 5.183 1.00 94.40 C +ATOM 1783 CD PRO A 223 -10.842 -2.638 6.416 1.00 95.14 C +ATOM 1784 N PRO A 224 -13.444 -5.146 4.868 1.00 94.13 N +ATOM 1785 CA PRO A 224 -14.319 -6.264 4.534 1.00 93.98 C +ATOM 1786 C PRO A 224 -15.479 -6.426 5.513 1.00 94.04 C +ATOM 1787 O PRO A 224 -16.628 -6.588 5.104 1.00 93.70 O +ATOM 1788 CB PRO A 224 -13.429 -7.509 4.524 1.00 93.59 C +ATOM 1789 CG PRO A 224 -12.040 -6.966 4.241 1.00 92.90 C +ATOM 1790 CD PRO A 224 -12.058 -5.623 4.953 1.00 93.88 C +ATOM 1791 N THR A 225 -15.199 -6.351 6.816 1.00 94.61 N +ATOM 1792 CA THR A 225 -16.240 -6.505 7.847 1.00 94.36 C +ATOM 1793 C THR A 225 -17.295 -5.413 7.707 1.00 94.59 C +ATOM 1794 O THR A 225 -18.474 -5.722 7.610 1.00 94.16 O +ATOM 1795 CB THR A 225 -15.610 -6.484 9.239 1.00 93.77 C +ATOM 1796 OG1 THR A 225 -14.704 -7.545 9.377 1.00 90.74 O +ATOM 1797 CG2 THR A 225 -16.649 -6.651 10.363 1.00 89.59 C +ATOM 1798 N LYS A 226 -16.879 -4.162 7.611 1.00 94.03 N +ATOM 1799 CA LYS A 226 -17.816 -3.032 7.531 1.00 93.94 C +ATOM 1800 C LYS A 226 -18.614 -3.010 6.239 1.00 94.08 C +ATOM 1801 O LYS A 226 -19.803 -2.762 6.266 1.00 93.50 O +ATOM 1802 CB LYS A 226 -17.034 -1.714 7.706 1.00 93.35 C +ATOM 1803 CG LYS A 226 -16.565 -1.507 9.163 1.00 90.82 C +ATOM 1804 CD LYS A 226 -17.746 -1.368 10.107 1.00 88.52 C +ATOM 1805 CE LYS A 226 -17.339 -1.338 11.575 1.00 85.18 C +ATOM 1806 NZ LYS A 226 -18.444 -1.849 12.436 1.00 80.83 N1+ +ATOM 1807 N PHE A 227 -18.004 -3.313 5.115 1.00 93.80 N +ATOM 1808 CA PHE A 227 -18.735 -3.395 3.867 1.00 93.89 C +ATOM 1809 C PHE A 227 -19.701 -4.582 3.826 1.00 93.85 C +ATOM 1810 O PHE A 227 -20.822 -4.421 3.380 1.00 93.69 O +ATOM 1811 CB PHE A 227 -17.772 -3.421 2.679 1.00 93.98 C +ATOM 1812 CG PHE A 227 -17.167 -2.085 2.324 1.00 94.32 C +ATOM 1813 CD1 PHE A 227 -17.984 -0.981 2.042 1.00 93.87 C +ATOM 1814 CD2 PHE A 227 -15.775 -1.940 2.204 1.00 93.94 C +ATOM 1815 CE1 PHE A 227 -17.437 0.247 1.652 1.00 93.49 C +ATOM 1816 CE2 PHE A 227 -15.209 -0.712 1.800 1.00 93.49 C +ATOM 1817 CZ PHE A 227 -16.035 0.378 1.530 1.00 93.53 C +ATOM 1818 N LEU A 228 -19.316 -5.733 4.339 1.00 93.16 N +ATOM 1819 CA LEU A 228 -20.225 -6.875 4.412 1.00 93.19 C +ATOM 1820 C LEU A 228 -21.401 -6.637 5.365 1.00 93.10 C +ATOM 1821 O LEU A 228 -22.490 -7.068 5.056 1.00 92.65 O +ATOM 1822 CB LEU A 228 -19.452 -8.138 4.808 1.00 93.00 C +ATOM 1823 CG LEU A 228 -18.531 -8.680 3.689 1.00 92.07 C +ATOM 1824 CD1 LEU A 228 -17.665 -9.825 4.247 1.00 91.02 C +ATOM 1825 CD2 LEU A 228 -19.321 -9.240 2.503 1.00 90.29 C +ATOM 1826 N GLU A 229 -21.227 -5.890 6.437 1.00 92.81 N +ATOM 1827 CA GLU A 229 -22.338 -5.444 7.292 1.00 92.54 C +ATOM 1828 C GLU A 229 -23.327 -4.571 6.507 1.00 92.58 C +ATOM 1829 O GLU A 229 -24.544 -4.699 6.728 1.00 91.62 O +ATOM 1830 CB GLU A 229 -21.802 -4.642 8.491 1.00 91.77 C +ATOM 1831 CG GLU A 229 -21.172 -5.507 9.605 1.00 88.18 C +ATOM 1832 CD GLU A 229 -20.381 -4.694 10.670 1.00 86.96 C +ATOM 1833 OE1 GLU A 229 -19.629 -5.300 11.444 1.00 79.73 O +ATOM 1834 OE2 GLU A 229 -20.515 -3.445 10.727 1.00 76.40 O +ATOM 1835 N LEU A 230 -22.849 -3.748 5.596 1.00 90.40 N +ATOM 1836 CA LEU A 230 -23.685 -2.844 4.797 1.00 90.23 C +ATOM 1837 C LEU A 230 -24.379 -3.536 3.615 1.00 90.39 C +ATOM 1838 O LEU A 230 -25.511 -3.162 3.266 1.00 89.24 O +ATOM 1839 CB LEU A 230 -22.804 -1.683 4.296 1.00 89.26 C +ATOM 1840 CG LEU A 230 -22.321 -0.714 5.399 1.00 86.33 C +ATOM 1841 CD1 LEU A 230 -21.315 0.264 4.788 1.00 84.60 C +ATOM 1842 CD2 LEU A 230 -23.449 0.091 6.003 1.00 84.19 C +ATOM 1843 N ILE A 231 -23.730 -4.504 2.981 1.00 90.10 N +ATOM 1844 CA ILE A 231 -24.289 -5.164 1.787 1.00 89.73 C +ATOM 1845 C ILE A 231 -24.978 -6.494 2.093 1.00 89.36 C +ATOM 1846 O ILE A 231 -25.637 -7.061 1.220 1.00 87.33 O +ATOM 1847 CB ILE A 231 -23.211 -5.327 0.683 1.00 88.95 C +ATOM 1848 CG1 ILE A 231 -22.130 -6.363 1.044 1.00 87.89 C +ATOM 1849 CG2 ILE A 231 -22.615 -3.959 0.323 1.00 87.35 C +ATOM 1850 CD1 ILE A 231 -21.019 -6.529 -0.003 1.00 82.89 C +ATOM 1851 N GLY A 232 -24.784 -7.003 3.287 1.00 83.37 N +ATOM 1852 CA GLY A 232 -25.209 -8.350 3.697 1.00 82.79 C +ATOM 1853 C GLY A 232 -24.248 -9.428 3.192 1.00 83.42 C +ATOM 1854 O GLY A 232 -23.382 -9.192 2.348 1.00 80.89 O +ATOM 1855 N ILE A 233 -24.432 -10.639 3.674 1.00 77.40 N +ATOM 1856 CA ILE A 233 -23.613 -11.778 3.286 1.00 76.70 C +ATOM 1857 C ILE A 233 -23.781 -12.040 1.787 1.00 77.39 C +ATOM 1858 O ILE A 233 -24.879 -12.313 1.311 1.00 73.87 O +ATOM 1859 CB ILE A 233 -23.947 -13.028 4.116 1.00 72.86 C +ATOM 1860 CG1 ILE A 233 -23.714 -12.753 5.618 1.00 70.48 C +ATOM 1861 CG2 ILE A 233 -23.090 -14.215 3.650 1.00 69.23 C +ATOM 1862 CD1 ILE A 233 -24.154 -13.907 6.544 1.00 65.07 C +ATOM 1863 N ALA A 234 -22.709 -11.968 1.066 1.00 71.65 N +ATOM 1864 CA ALA A 234 -22.642 -12.226 -0.356 1.00 69.87 C +ATOM 1865 C ALA A 234 -21.308 -12.904 -0.695 1.00 71.28 C +ATOM 1866 O ALA A 234 -20.347 -12.826 0.082 1.00 67.36 O +ATOM 1867 CB ALA A 234 -22.814 -10.912 -1.110 1.00 64.24 C +ATOM 1868 N GLN A 235 -21.265 -13.575 -1.824 1.00 68.50 N +ATOM 1869 CA GLN A 235 -20.079 -14.302 -2.272 1.00 68.54 C +ATOM 1870 C GLN A 235 -19.764 -13.946 -3.728 1.00 69.18 C +ATOM 1871 O GLN A 235 -20.662 -13.682 -4.528 1.00 64.63 O +ATOM 1872 CB GLN A 235 -20.295 -15.816 -2.098 1.00 63.27 C +ATOM 1873 CG GLN A 235 -20.399 -16.239 -0.624 1.00 58.40 C +ATOM 1874 CD GLN A 235 -19.049 -16.692 -0.011 1.00 53.74 C +ATOM 1875 OE1 GLN A 235 -18.166 -17.119 -0.688 1.00 45.32 O +ATOM 1876 NE2 GLN A 235 -18.932 -16.621 1.277 1.00 46.29 N +ATOM 1877 N GLY A 236 -18.488 -13.963 -4.072 1.00 73.97 N +ATOM 1878 CA GLY A 236 -18.014 -13.818 -5.447 1.00 74.47 C +ATOM 1879 C GLY A 236 -18.528 -12.557 -6.143 1.00 76.97 C +ATOM 1880 O GLY A 236 -18.477 -11.469 -5.570 1.00 73.86 O +ATOM 1881 N GLN A 237 -19.053 -12.692 -7.340 1.00 82.12 N +ATOM 1882 CA GLN A 237 -19.545 -11.569 -8.150 1.00 82.80 C +ATOM 1883 C GLN A 237 -20.671 -10.777 -7.477 1.00 84.18 C +ATOM 1884 O GLN A 237 -20.778 -9.575 -7.675 1.00 81.58 O +ATOM 1885 CB GLN A 237 -20.013 -12.070 -9.510 1.00 78.62 C +ATOM 1886 CG GLN A 237 -18.871 -12.561 -10.403 1.00 71.35 C +ATOM 1887 CD GLN A 237 -19.339 -12.921 -11.801 1.00 67.17 C +ATOM 1888 OE1 GLN A 237 -20.526 -13.027 -12.070 1.00 57.99 O +ATOM 1889 NE2 GLN A 237 -18.451 -13.112 -12.729 1.00 56.44 N +ATOM 1890 N MET A 238 -21.479 -11.417 -6.666 1.00 87.87 N +ATOM 1891 CA MET A 238 -22.563 -10.733 -5.962 1.00 88.79 C +ATOM 1892 C MET A 238 -22.031 -9.727 -4.930 1.00 89.67 C +ATOM 1893 O MET A 238 -22.632 -8.675 -4.750 1.00 88.13 O +ATOM 1894 CB MET A 238 -23.472 -11.768 -5.317 1.00 87.09 C +ATOM 1895 CG MET A 238 -24.823 -11.162 -4.910 1.00 80.86 C +ATOM 1896 SD MET A 238 -25.784 -10.592 -6.321 1.00 77.61 S +ATOM 1897 CE MET A 238 -27.286 -10.057 -5.454 1.00 68.66 C +ATOM 1898 N THR A 239 -20.903 -10.017 -4.319 1.00 90.98 N +ATOM 1899 CA THR A 239 -20.235 -9.072 -3.421 1.00 91.44 C +ATOM 1900 C THR A 239 -19.772 -7.854 -4.187 1.00 91.85 C +ATOM 1901 O THR A 239 -20.045 -6.742 -3.755 1.00 91.26 O +ATOM 1902 CB THR A 239 -19.022 -9.741 -2.731 1.00 90.95 C +ATOM 1903 OG1 THR A 239 -19.457 -10.857 -2.007 1.00 89.86 O +ATOM 1904 CG2 THR A 239 -18.325 -8.815 -1.742 1.00 89.58 C +ATOM 1905 N VAL A 240 -19.139 -8.034 -5.334 1.00 92.91 N +ATOM 1906 CA VAL A 240 -18.666 -6.932 -6.170 1.00 92.94 C +ATOM 1907 C VAL A 240 -19.819 -6.069 -6.669 1.00 93.18 C +ATOM 1908 O VAL A 240 -19.747 -4.852 -6.597 1.00 92.77 O +ATOM 1909 CB VAL A 240 -17.845 -7.466 -7.355 1.00 92.37 C +ATOM 1910 CG1 VAL A 240 -16.617 -8.225 -6.857 1.00 90.64 C +ATOM 1911 CG2 VAL A 240 -17.359 -6.337 -8.257 1.00 90.18 C +ATOM 1912 N LEU A 241 -20.913 -6.694 -7.109 1.00 92.79 N +ATOM 1913 CA LEU A 241 -22.114 -5.980 -7.569 1.00 92.81 C +ATOM 1914 C LEU A 241 -22.708 -5.108 -6.457 1.00 93.22 C +ATOM 1915 O LEU A 241 -22.845 -3.894 -6.639 1.00 92.48 O +ATOM 1916 CB LEU A 241 -23.130 -7.008 -8.067 1.00 91.76 C +ATOM 1917 CG LEU A 241 -24.390 -6.371 -8.681 1.00 85.60 C +ATOM 1918 CD1 LEU A 241 -25.452 -7.431 -8.868 1.00 82.13 C +ATOM 1919 CD2 LEU A 241 -24.100 -5.735 -10.015 1.00 79.14 C +ATOM 1920 N ARG A 242 -22.942 -5.668 -5.314 1.00 92.19 N +ATOM 1921 CA ARG A 242 -23.516 -4.938 -4.165 1.00 92.13 C +ATOM 1922 C ARG A 242 -22.585 -3.867 -3.631 1.00 92.76 C +ATOM 1923 O ARG A 242 -23.070 -2.804 -3.254 1.00 92.47 O +ATOM 1924 CB ARG A 242 -23.864 -5.915 -3.052 1.00 91.44 C +ATOM 1925 CG ARG A 242 -25.070 -6.785 -3.364 1.00 87.37 C +ATOM 1926 CD ARG A 242 -25.318 -7.685 -2.157 1.00 85.22 C +ATOM 1927 NE ARG A 242 -26.429 -8.620 -2.389 1.00 79.74 N +ATOM 1928 CZ ARG A 242 -26.957 -9.402 -1.464 1.00 75.03 C +ATOM 1929 NH1 ARG A 242 -26.515 -9.380 -0.215 1.00 71.28 N +ATOM 1930 NH2 ARG A 242 -27.932 -10.196 -1.768 1.00 70.97 N1+ +ATOM 1931 N LEU A 243 -21.314 -4.125 -3.612 1.00 94.20 N +ATOM 1932 CA LEU A 243 -20.313 -3.132 -3.227 1.00 94.16 C +ATOM 1933 C LEU A 243 -20.304 -1.960 -4.201 1.00 94.13 C +ATOM 1934 O LEU A 243 -20.335 -0.806 -3.766 1.00 94.05 O +ATOM 1935 CB LEU A 243 -18.946 -3.811 -3.132 1.00 94.21 C +ATOM 1936 CG LEU A 243 -17.785 -2.862 -2.771 1.00 93.87 C +ATOM 1937 CD1 LEU A 243 -16.483 -3.656 -2.721 1.00 93.36 C +ATOM 1938 CD2 LEU A 243 -17.985 -2.199 -1.408 1.00 93.11 C +ATOM 1939 N THR A 244 -20.357 -2.232 -5.492 1.00 94.02 N +ATOM 1940 CA THR A 244 -20.453 -1.187 -6.523 1.00 93.98 C +ATOM 1941 C THR A 244 -21.711 -0.335 -6.344 1.00 93.94 C +ATOM 1942 O THR A 244 -21.599 0.889 -6.270 1.00 93.44 O +ATOM 1943 CB THR A 244 -20.404 -1.795 -7.921 1.00 93.67 C +ATOM 1944 OG1 THR A 244 -19.246 -2.576 -8.087 1.00 92.54 O +ATOM 1945 CG2 THR A 244 -20.360 -0.736 -9.016 1.00 91.92 C +ATOM 1946 N GLU A 245 -22.848 -0.961 -6.184 1.00 94.18 N +ATOM 1947 CA GLU A 245 -24.111 -0.263 -5.937 1.00 93.81 C +ATOM 1948 C GLU A 245 -24.099 0.597 -4.655 1.00 93.79 C +ATOM 1949 O GLU A 245 -24.628 1.704 -4.625 1.00 92.91 O +ATOM 1950 CB GLU A 245 -25.247 -1.279 -5.794 1.00 92.98 C +ATOM 1951 CG GLU A 245 -25.606 -1.950 -7.115 1.00 87.69 C +ATOM 1952 CD GLU A 245 -26.612 -3.104 -6.940 1.00 85.11 C +ATOM 1953 OE1 GLU A 245 -26.905 -3.771 -7.952 1.00 76.59 O +ATOM 1954 OE2 GLU A 245 -27.070 -3.337 -5.801 1.00 75.00 O +ATOM 1955 N LEU A 246 -23.468 0.103 -3.616 1.00 94.33 N +ATOM 1956 CA LEU A 246 -23.301 0.819 -2.355 1.00 94.24 C +ATOM 1957 C LEU A 246 -22.424 2.075 -2.535 1.00 94.33 C +ATOM 1958 O LEU A 246 -22.820 3.163 -2.092 1.00 93.70 O +ATOM 1959 CB LEU A 246 -22.747 -0.158 -1.312 1.00 93.55 C +ATOM 1960 CG LEU A 246 -22.528 0.453 0.085 1.00 90.91 C +ATOM 1961 CD1 LEU A 246 -21.120 0.922 0.309 1.00 88.78 C +ATOM 1962 CD2 LEU A 246 -22.864 -0.586 1.157 1.00 87.18 C +ATOM 1963 N LEU A 247 -21.317 1.945 -3.222 1.00 94.47 N +ATOM 1964 CA LEU A 247 -20.419 3.065 -3.495 1.00 94.46 C +ATOM 1965 C LEU A 247 -21.061 4.091 -4.436 1.00 94.21 C +ATOM 1966 O LEU A 247 -20.911 5.299 -4.214 1.00 93.87 O +ATOM 1967 CB LEU A 247 -19.100 2.534 -4.064 1.00 94.67 C +ATOM 1968 CG LEU A 247 -18.250 1.704 -3.089 1.00 94.83 C +ATOM 1969 CD1 LEU A 247 -17.001 1.207 -3.817 1.00 94.43 C +ATOM 1970 CD2 LEU A 247 -17.826 2.470 -1.843 1.00 94.37 C +ATOM 1971 N GLU A 248 -21.830 3.661 -5.423 1.00 94.18 N +ATOM 1972 CA GLU A 248 -22.596 4.537 -6.345 1.00 93.87 C +ATOM 1973 C GLU A 248 -23.686 5.333 -5.619 1.00 93.62 C +ATOM 1974 O GLU A 248 -23.948 6.468 -5.984 1.00 92.27 O +ATOM 1975 CB GLU A 248 -23.181 3.719 -7.497 1.00 92.94 C +ATOM 1976 CG GLU A 248 -22.097 3.336 -8.518 1.00 88.03 C +ATOM 1977 CD GLU A 248 -22.628 2.591 -9.744 1.00 85.19 C +ATOM 1978 OE1 GLU A 248 -21.845 2.517 -10.739 1.00 73.84 O +ATOM 1979 OE2 GLU A 248 -23.773 2.112 -9.769 1.00 71.92 O +ATOM 1980 N ARG A 249 -24.295 4.802 -4.592 1.00 94.59 N +ATOM 1981 CA ARG A 249 -25.186 5.563 -3.701 1.00 94.10 C +ATOM 1982 C ARG A 249 -24.462 6.549 -2.793 1.00 94.00 C +ATOM 1983 O ARG A 249 -25.133 7.264 -2.038 1.00 93.05 O +ATOM 1984 CB ARG A 249 -26.027 4.591 -2.879 1.00 93.30 C +ATOM 1985 CG ARG A 249 -27.047 3.804 -3.707 1.00 89.52 C +ATOM 1986 CD ARG A 249 -28.018 3.020 -2.808 1.00 86.99 C +ATOM 1987 NE ARG A 249 -27.359 2.130 -1.828 1.00 83.03 N +ATOM 1988 CZ ARG A 249 -27.067 0.853 -1.972 1.00 80.20 C +ATOM 1989 NH1 ARG A 249 -27.282 0.211 -3.102 1.00 76.07 N +ATOM 1990 NH2 ARG A 249 -26.536 0.201 -0.999 1.00 76.52 N1+ +ATOM 1991 N GLY A 250 -23.180 6.629 -2.832 1.00 94.24 N +ATOM 1992 CA GLY A 250 -22.366 7.537 -2.005 1.00 94.14 C +ATOM 1993 C GLY A 250 -22.064 7.029 -0.589 1.00 94.42 C +ATOM 1994 O GLY A 250 -21.491 7.768 0.203 1.00 93.85 O +ATOM 1995 N GLU A 251 -22.404 5.798 -0.281 1.00 94.53 N +ATOM 1996 CA GLU A 251 -22.048 5.207 1.013 1.00 94.44 C +ATOM 1997 C GLU A 251 -20.534 4.943 1.095 1.00 94.73 C +ATOM 1998 O GLU A 251 -19.892 4.616 0.110 1.00 94.22 O +ATOM 1999 CB GLU A 251 -22.861 3.926 1.276 1.00 93.73 C +ATOM 2000 CG GLU A 251 -24.365 4.214 1.468 1.00 90.53 C +ATOM 2001 CD GLU A 251 -25.123 2.943 1.841 1.00 88.35 C +ATOM 2002 OE1 GLU A 251 -26.055 2.573 1.101 1.00 78.49 O +ATOM 2003 OE2 GLU A 251 -24.756 2.306 2.841 1.00 75.89 O +ATOM 2004 N ARG A 252 -19.985 5.126 2.264 1.00 93.79 N +ATOM 2005 CA ARG A 252 -18.555 4.986 2.552 1.00 93.90 C +ATOM 2006 C ARG A 252 -18.316 4.295 3.887 1.00 93.85 C +ATOM 2007 O ARG A 252 -19.236 4.177 4.703 1.00 93.43 O +ATOM 2008 CB ARG A 252 -17.877 6.369 2.544 1.00 93.90 C +ATOM 2009 CG ARG A 252 -17.945 7.108 1.195 1.00 93.98 C +ATOM 2010 CD ARG A 252 -17.207 6.372 0.087 1.00 93.85 C +ATOM 2011 NE ARG A 252 -17.203 7.114 -1.171 1.00 93.57 N +ATOM 2012 CZ ARG A 252 -18.052 6.989 -2.178 1.00 93.43 C +ATOM 2013 NH1 ARG A 252 -19.074 6.171 -2.127 1.00 92.99 N +ATOM 2014 NH2 ARG A 252 -17.905 7.698 -3.242 1.00 93.00 N1+ +ATOM 2015 N LEU A 253 -17.084 3.896 4.133 1.00 94.83 N +ATOM 2016 CA LEU A 253 -16.653 3.444 5.456 1.00 94.87 C +ATOM 2017 C LEU A 253 -16.958 4.542 6.507 1.00 94.85 C +ATOM 2018 O LEU A 253 -16.796 5.733 6.211 1.00 94.56 O +ATOM 2019 CB LEU A 253 -15.168 3.108 5.448 1.00 94.84 C +ATOM 2020 CG LEU A 253 -14.816 1.838 4.659 1.00 94.61 C +ATOM 2021 CD1 LEU A 253 -13.285 1.717 4.512 1.00 94.19 C +ATOM 2022 CD2 LEU A 253 -15.298 0.569 5.366 1.00 94.05 C +ATOM 2023 N PRO A 254 -17.396 4.183 7.706 1.00 95.51 N +ATOM 2024 CA PRO A 254 -17.719 5.146 8.753 1.00 95.34 C +ATOM 2025 C PRO A 254 -16.464 5.826 9.292 1.00 95.48 C +ATOM 2026 O PRO A 254 -15.350 5.321 9.144 1.00 95.09 O +ATOM 2027 CB PRO A 254 -18.431 4.332 9.846 1.00 94.89 C +ATOM 2028 CG PRO A 254 -17.800 2.957 9.724 1.00 93.94 C +ATOM 2029 CD PRO A 254 -17.547 2.824 8.214 1.00 94.57 C +ATOM 2030 N ARG A 255 -16.632 6.940 9.960 1.00 95.01 N +ATOM 2031 CA ARG A 255 -15.533 7.593 10.680 1.00 94.89 C +ATOM 2032 C ARG A 255 -15.068 6.682 11.837 1.00 94.76 C +ATOM 2033 O ARG A 255 -15.892 6.337 12.674 1.00 94.36 O +ATOM 2034 CB ARG A 255 -16.022 8.957 11.190 1.00 94.53 C +ATOM 2035 CG ARG A 255 -14.925 9.702 11.959 1.00 93.30 C +ATOM 2036 CD ARG A 255 -15.420 11.080 12.373 1.00 91.94 C +ATOM 2037 NE ARG A 255 -14.519 11.718 13.336 1.00 89.79 N +ATOM 2038 CZ ARG A 255 -14.744 12.815 14.031 1.00 88.43 C +ATOM 2039 NH1 ARG A 255 -15.836 13.496 13.846 1.00 86.65 N +ATOM 2040 NH2 ARG A 255 -13.871 13.234 14.878 1.00 87.34 N1+ +ATOM 2041 N PRO A 256 -13.769 6.330 11.906 1.00 94.49 N +ATOM 2042 CA PRO A 256 -13.221 5.587 13.029 1.00 94.47 C +ATOM 2043 C PRO A 256 -13.362 6.344 14.337 1.00 94.51 C +ATOM 2044 O PRO A 256 -13.304 7.576 14.373 1.00 94.08 O +ATOM 2045 CB PRO A 256 -11.759 5.346 12.698 1.00 94.30 C +ATOM 2046 CG PRO A 256 -11.723 5.425 11.171 1.00 93.80 C +ATOM 2047 CD PRO A 256 -12.770 6.490 10.876 1.00 94.62 C +ATOM 2048 N ASP A 257 -13.486 5.626 15.436 1.00 92.87 N +ATOM 2049 CA ASP A 257 -13.427 6.227 16.768 1.00 92.52 C +ATOM 2050 C ASP A 257 -12.118 6.989 16.953 1.00 92.74 C +ATOM 2051 O ASP A 257 -11.050 6.544 16.543 1.00 91.67 O +ATOM 2052 CB ASP A 257 -13.540 5.147 17.856 1.00 91.03 C +ATOM 2053 CG ASP A 257 -14.985 4.777 18.184 1.00 84.29 C +ATOM 2054 OD1 ASP A 257 -15.915 5.469 17.707 1.00 77.42 O +ATOM 2055 OD2 ASP A 257 -15.153 3.849 19.031 1.00 76.42 O +ATOM 2056 N LYS A 258 -12.195 8.126 17.583 1.00 91.33 N +ATOM 2057 CA LYS A 258 -11.069 9.039 17.806 1.00 91.10 C +ATOM 2058 C LYS A 258 -10.384 9.582 16.526 1.00 91.63 C +ATOM 2059 O LYS A 258 -9.440 10.349 16.651 1.00 90.21 O +ATOM 2060 CB LYS A 258 -10.030 8.407 18.761 1.00 89.36 C +ATOM 2061 CG LYS A 258 -10.635 7.826 20.039 1.00 83.02 C +ATOM 2062 CD LYS A 258 -9.558 7.056 20.816 1.00 77.57 C +ATOM 2063 CE LYS A 258 -10.195 6.410 22.051 1.00 70.70 C +ATOM 2064 NZ LYS A 258 -9.203 5.535 22.748 1.00 63.50 N1+ +ATOM 2065 N CYS A 259 -10.852 9.239 15.363 1.00 94.38 N +ATOM 2066 CA CYS A 259 -10.377 9.888 14.136 1.00 94.51 C +ATOM 2067 C CYS A 259 -10.858 11.364 14.125 1.00 94.62 C +ATOM 2068 O CYS A 259 -12.061 11.601 14.179 1.00 94.21 O +ATOM 2069 CB CYS A 259 -10.916 9.128 12.933 1.00 94.21 C +ATOM 2070 SG CYS A 259 -10.393 9.896 11.379 1.00 93.44 S +ATOM 2071 N PRO A 260 -9.946 12.335 14.021 1.00 94.77 N +ATOM 2072 CA PRO A 260 -10.338 13.751 13.893 1.00 94.64 C +ATOM 2073 C PRO A 260 -11.206 13.969 12.655 1.00 94.82 C +ATOM 2074 O PRO A 260 -11.032 13.309 11.627 1.00 94.42 O +ATOM 2075 CB PRO A 260 -9.027 14.533 13.801 1.00 94.09 C +ATOM 2076 CG PRO A 260 -8.016 13.612 14.490 1.00 92.81 C +ATOM 2077 CD PRO A 260 -8.516 12.231 14.122 1.00 93.54 C +ATOM 2078 N ALA A 261 -12.110 14.906 12.742 1.00 95.21 N +ATOM 2079 CA ALA A 261 -13.020 15.217 11.632 1.00 95.12 C +ATOM 2080 C ALA A 261 -12.279 15.606 10.360 1.00 95.28 C +ATOM 2081 O ALA A 261 -12.667 15.166 9.271 1.00 94.94 O +ATOM 2082 CB ALA A 261 -13.987 16.291 12.102 1.00 94.62 C +ATOM 2083 N GLU A 262 -11.199 16.361 10.464 1.00 94.92 N +ATOM 2084 CA GLU A 262 -10.365 16.781 9.338 1.00 94.72 C +ATOM 2085 C GLU A 262 -9.685 15.585 8.662 1.00 95.08 C +ATOM 2086 O GLU A 262 -9.630 15.535 7.439 1.00 94.44 O +ATOM 2087 CB GLU A 262 -9.371 17.848 9.801 1.00 93.80 C +ATOM 2088 CG GLU A 262 -8.300 17.357 10.802 1.00 86.91 C +ATOM 2089 CD GLU A 262 -7.525 18.495 11.485 1.00 83.71 C +ATOM 2090 OE1 GLU A 262 -7.070 18.260 12.635 1.00 71.76 O +ATOM 2091 OE2 GLU A 262 -7.402 19.581 10.937 1.00 68.61 O +ATOM 2092 N VAL A 263 -9.251 14.597 9.428 1.00 95.61 N +ATOM 2093 CA VAL A 263 -8.646 13.374 8.880 1.00 95.68 C +ATOM 2094 C VAL A 263 -9.688 12.504 8.189 1.00 95.79 C +ATOM 2095 O VAL A 263 -9.434 11.977 7.118 1.00 95.67 O +ATOM 2096 CB VAL A 263 -7.921 12.589 9.986 1.00 95.54 C +ATOM 2097 CG1 VAL A 263 -6.810 13.407 10.647 1.00 95.08 C +ATOM 2098 CG2 VAL A 263 -7.254 11.329 9.423 1.00 95.05 C +ATOM 2099 N TYR A 264 -10.874 12.417 8.744 1.00 95.88 N +ATOM 2100 CA TYR A 264 -11.978 11.730 8.067 1.00 95.84 C +ATOM 2101 C TYR A 264 -12.416 12.442 6.781 1.00 95.78 C +ATOM 2102 O TYR A 264 -12.716 11.781 5.785 1.00 95.48 O +ATOM 2103 CB TYR A 264 -13.156 11.561 9.023 1.00 95.79 C +ATOM 2104 CG TYR A 264 -14.257 10.717 8.411 1.00 95.72 C +ATOM 2105 CD1 TYR A 264 -14.006 9.383 8.019 1.00 95.35 C +ATOM 2106 CD2 TYR A 264 -15.556 11.252 8.236 1.00 95.17 C +ATOM 2107 CE1 TYR A 264 -15.015 8.587 7.454 1.00 94.75 C +ATOM 2108 CE2 TYR A 264 -16.573 10.463 7.676 1.00 94.79 C +ATOM 2109 CZ TYR A 264 -16.308 9.126 7.289 1.00 94.84 C +ATOM 2110 OH TYR A 264 -17.315 8.360 6.760 1.00 94.36 O +ATOM 2111 N HIS A 265 -12.379 13.757 6.765 1.00 95.33 N +ATOM 2112 CA HIS A 265 -12.603 14.510 5.537 1.00 95.06 C +ATOM 2113 C HIS A 265 -11.568 14.201 4.463 1.00 95.31 C +ATOM 2114 O HIS A 265 -11.910 14.007 3.305 1.00 94.82 O +ATOM 2115 CB HIS A 265 -12.619 16.023 5.851 1.00 94.44 C +ATOM 2116 CG HIS A 265 -13.862 16.694 5.376 1.00 91.71 C +ATOM 2117 ND1 HIS A 265 -15.025 16.903 6.120 1.00 85.49 N1+ +ATOM 2118 CD2 HIS A 265 -14.085 17.244 4.131 1.00 82.61 C +ATOM 2119 CE1 HIS A 265 -15.922 17.551 5.359 1.00 79.89 C +ATOM 2120 NE2 HIS A 265 -15.376 17.768 4.133 1.00 80.79 N +ATOM 2121 N LEU A 266 -10.321 14.042 4.864 1.00 95.60 N +ATOM 2122 CA LEU A 266 -9.245 13.635 3.974 1.00 95.52 C +ATOM 2123 C LEU A 266 -9.480 12.236 3.397 1.00 95.81 C +ATOM 2124 O LEU A 266 -9.319 12.023 2.199 1.00 95.50 O +ATOM 2125 CB LEU A 266 -7.916 13.715 4.742 1.00 94.94 C +ATOM 2126 CG LEU A 266 -6.687 13.582 3.854 1.00 91.95 C +ATOM 2127 CD1 LEU A 266 -5.444 13.418 4.735 1.00 89.33 C +ATOM 2128 CD2 LEU A 266 -6.514 14.820 2.991 1.00 85.84 C +ATOM 2129 N MET A 267 -9.936 11.284 4.225 1.00 95.86 N +ATOM 2130 CA MET A 267 -10.336 9.959 3.717 1.00 95.71 C +ATOM 2131 C MET A 267 -11.447 10.073 2.668 1.00 95.72 C +ATOM 2132 O MET A 267 -11.356 9.459 1.608 1.00 95.33 O +ATOM 2133 CB MET A 267 -10.844 9.044 4.843 1.00 95.39 C +ATOM 2134 CG MET A 267 -9.815 8.717 5.913 1.00 93.63 C +ATOM 2135 SD MET A 267 -10.525 7.680 7.204 1.00 92.29 S +ATOM 2136 CE MET A 267 -9.267 7.865 8.465 1.00 88.57 C +ATOM 2137 N LYS A 268 -12.457 10.873 2.944 1.00 95.75 N +ATOM 2138 CA LYS A 268 -13.573 11.083 2.014 1.00 95.57 C +ATOM 2139 C LYS A 268 -13.133 11.706 0.697 1.00 95.69 C +ATOM 2140 O LYS A 268 -13.633 11.297 -0.341 1.00 95.18 O +ATOM 2141 CB LYS A 268 -14.676 11.933 2.659 1.00 95.08 C +ATOM 2142 CG LYS A 268 -15.433 11.143 3.728 1.00 92.99 C +ATOM 2143 CD LYS A 268 -16.628 11.914 4.276 1.00 90.64 C +ATOM 2144 CE LYS A 268 -17.748 11.978 3.237 1.00 86.59 C +ATOM 2145 NZ LYS A 268 -18.957 12.639 3.752 1.00 81.78 N1+ +ATOM 2146 N ASN A 269 -12.190 12.627 0.728 1.00 95.94 N +ATOM 2147 CA ASN A 269 -11.620 13.194 -0.494 1.00 95.80 C +ATOM 2148 C ASN A 269 -10.899 12.139 -1.328 1.00 95.99 C +ATOM 2149 O ASN A 269 -10.968 12.143 -2.555 1.00 95.68 O +ATOM 2150 CB ASN A 269 -10.672 14.345 -0.131 1.00 95.41 C +ATOM 2151 CG ASN A 269 -11.346 15.549 0.490 1.00 93.79 C +ATOM 2152 OD1 ASN A 269 -12.562 15.681 0.486 1.00 89.98 O +ATOM 2153 ND2 ASN A 269 -10.570 16.452 1.048 1.00 85.24 N +ATOM 2154 N CYS A 270 -10.238 11.168 -0.675 1.00 96.00 N +ATOM 2155 CA CYS A 270 -9.658 10.015 -1.371 1.00 96.02 C +ATOM 2156 C CYS A 270 -10.722 9.065 -1.950 1.00 95.97 C +ATOM 2157 O CYS A 270 -10.408 8.256 -2.822 1.00 95.72 O +ATOM 2158 CB CYS A 270 -8.741 9.248 -0.410 1.00 96.08 C +ATOM 2159 SG CYS A 270 -7.354 10.250 0.186 1.00 96.14 S +ATOM 2160 N TRP A 271 -11.957 9.168 -1.484 1.00 95.80 N +ATOM 2161 CA TRP A 271 -13.093 8.344 -1.911 1.00 95.77 C +ATOM 2162 C TRP A 271 -14.125 9.109 -2.745 1.00 95.59 C +ATOM 2163 O TRP A 271 -15.286 8.722 -2.792 1.00 95.21 O +ATOM 2164 CB TRP A 271 -13.746 7.699 -0.694 1.00 95.84 C +ATOM 2165 CG TRP A 271 -12.873 6.863 0.177 1.00 96.10 C +ATOM 2166 CD1 TRP A 271 -11.802 6.137 -0.202 1.00 95.86 C +ATOM 2167 CD2 TRP A 271 -13.025 6.670 1.625 1.00 96.00 C +ATOM 2168 NE1 TRP A 271 -11.269 5.491 0.923 1.00 95.64 N +ATOM 2169 CE2 TRP A 271 -12.005 5.796 2.048 1.00 95.80 C +ATOM 2170 CE3 TRP A 271 -13.926 7.135 2.588 1.00 95.83 C +ATOM 2171 CZ2 TRP A 271 -11.869 5.386 3.405 1.00 95.60 C +ATOM 2172 CZ3 TRP A 271 -13.807 6.734 3.936 1.00 95.55 C +ATOM 2173 CH2 TRP A 271 -12.786 5.857 4.337 1.00 95.40 C +ATOM 2174 N GLU A 272 -13.689 10.167 -3.389 1.00 96.19 N +ATOM 2175 CA GLU A 272 -14.510 10.805 -4.419 1.00 96.00 C +ATOM 2176 C GLU A 272 -14.857 9.806 -5.528 1.00 96.01 C +ATOM 2177 O GLU A 272 -14.016 9.054 -6.015 1.00 95.45 O +ATOM 2178 CB GLU A 272 -13.784 12.011 -4.998 1.00 95.48 C +ATOM 2179 CG GLU A 272 -13.765 13.217 -4.050 1.00 93.35 C +ATOM 2180 CD GLU A 272 -15.166 13.826 -3.803 1.00 91.40 C +ATOM 2181 OE1 GLU A 272 -15.314 14.517 -2.789 1.00 79.91 O +ATOM 2182 OE2 GLU A 272 -16.087 13.545 -4.610 1.00 78.21 O +ATOM 2183 N THR A 273 -16.102 9.808 -5.944 1.00 94.87 N +ATOM 2184 CA THR A 273 -16.579 8.887 -7.003 1.00 94.76 C +ATOM 2185 C THR A 273 -15.856 9.145 -8.319 1.00 94.76 C +ATOM 2186 O THR A 273 -15.357 8.208 -8.943 1.00 94.20 O +ATOM 2187 CB THR A 273 -18.088 9.003 -7.182 1.00 94.21 C +ATOM 2188 OG1 THR A 273 -18.733 8.711 -5.964 1.00 92.31 O +ATOM 2189 CG2 THR A 273 -18.633 8.034 -8.229 1.00 91.24 C +ATOM 2190 N GLU A 274 -15.780 10.401 -8.722 1.00 94.79 N +ATOM 2191 CA GLU A 274 -14.978 10.827 -9.861 1.00 94.55 C +ATOM 2192 C GLU A 274 -13.495 10.798 -9.501 1.00 94.86 C +ATOM 2193 O GLU A 274 -13.041 11.510 -8.606 1.00 94.16 O +ATOM 2194 CB GLU A 274 -15.377 12.229 -10.312 1.00 93.43 C +ATOM 2195 CG GLU A 274 -16.570 12.200 -11.246 1.00 86.84 C +ATOM 2196 CD GLU A 274 -16.298 11.495 -12.567 1.00 82.76 C +ATOM 2197 OE1 GLU A 274 -17.244 10.882 -13.109 1.00 71.24 O +ATOM 2198 OE2 GLU A 274 -15.120 11.513 -13.011 1.00 68.88 O +ATOM 2199 N ALA A 275 -12.725 9.988 -10.237 1.00 94.98 N +ATOM 2200 CA ALA A 275 -11.302 9.823 -9.987 1.00 94.92 C +ATOM 2201 C ALA A 275 -10.511 11.135 -10.039 1.00 94.99 C +ATOM 2202 O ALA A 275 -9.599 11.362 -9.246 1.00 94.25 O +ATOM 2203 CB ALA A 275 -10.769 8.811 -11.000 1.00 94.35 C +ATOM 2204 N SER A 276 -10.916 12.049 -10.947 1.00 94.65 N +ATOM 2205 CA SER A 276 -10.309 13.357 -11.128 1.00 94.49 C +ATOM 2206 C SER A 276 -10.474 14.304 -9.942 1.00 94.85 C +ATOM 2207 O SER A 276 -9.707 15.264 -9.831 1.00 93.94 O +ATOM 2208 CB SER A 276 -10.906 14.014 -12.370 1.00 93.26 C +ATOM 2209 OG SER A 276 -12.317 14.065 -12.292 1.00 86.11 O +ATOM 2210 N PHE A 277 -11.408 14.055 -9.066 1.00 95.03 N +ATOM 2211 CA PHE A 277 -11.642 14.872 -7.876 1.00 94.92 C +ATOM 2212 C PHE A 277 -10.842 14.419 -6.666 1.00 95.08 C +ATOM 2213 O PHE A 277 -10.776 15.127 -5.655 1.00 94.62 O +ATOM 2214 CB PHE A 277 -13.132 14.902 -7.560 1.00 94.61 C +ATOM 2215 CG PHE A 277 -14.047 15.533 -8.622 1.00 94.05 C +ATOM 2216 CD1 PHE A 277 -13.542 16.298 -9.685 1.00 92.84 C +ATOM 2217 CD2 PHE A 277 -15.425 15.341 -8.500 1.00 92.09 C +ATOM 2218 CE1 PHE A 277 -14.400 16.853 -10.628 1.00 90.53 C +ATOM 2219 CE2 PHE A 277 -16.306 15.890 -9.450 1.00 90.96 C +ATOM 2220 CZ PHE A 277 -15.788 16.639 -10.516 1.00 91.04 C +ATOM 2221 N ARG A 278 -10.221 13.251 -6.724 1.00 95.60 N +ATOM 2222 CA ARG A 278 -9.356 12.769 -5.655 1.00 95.63 C +ATOM 2223 C ARG A 278 -8.038 13.563 -5.644 1.00 95.54 C +ATOM 2224 O ARG A 278 -7.511 13.889 -6.713 1.00 95.20 O +ATOM 2225 CB ARG A 278 -9.094 11.268 -5.791 1.00 95.65 C +ATOM 2226 CG ARG A 278 -10.400 10.463 -5.823 1.00 95.67 C +ATOM 2227 CD ARG A 278 -10.144 8.996 -6.061 1.00 95.42 C +ATOM 2228 NE ARG A 278 -11.361 8.340 -6.533 1.00 95.29 N +ATOM 2229 CZ ARG A 278 -11.462 7.302 -7.355 1.00 95.37 C +ATOM 2230 NH1 ARG A 278 -10.424 6.652 -7.772 1.00 94.71 N +ATOM 2231 NH2 ARG A 278 -12.624 6.940 -7.768 1.00 94.79 N1+ +ATOM 2232 N PRO A 279 -7.464 13.835 -4.474 1.00 95.88 N +ATOM 2233 CA PRO A 279 -6.136 14.431 -4.402 1.00 95.84 C +ATOM 2234 C PRO A 279 -5.090 13.475 -4.975 1.00 95.97 C +ATOM 2235 O PRO A 279 -5.278 12.264 -4.988 1.00 95.58 O +ATOM 2236 CB PRO A 279 -5.911 14.714 -2.916 1.00 95.53 C +ATOM 2237 CG PRO A 279 -6.765 13.649 -2.211 1.00 94.91 C +ATOM 2238 CD PRO A 279 -7.956 13.474 -3.138 1.00 95.60 C +ATOM 2239 N THR A 280 -3.977 13.984 -5.411 1.00 96.14 N +ATOM 2240 CA THR A 280 -2.794 13.164 -5.708 1.00 96.09 C +ATOM 2241 C THR A 280 -2.006 12.877 -4.433 1.00 96.19 C +ATOM 2242 O THR A 280 -2.188 13.550 -3.413 1.00 95.92 O +ATOM 2243 CB THR A 280 -1.886 13.848 -6.750 1.00 95.84 C +ATOM 2244 OG1 THR A 280 -1.271 14.990 -6.192 1.00 95.35 O +ATOM 2245 CG2 THR A 280 -2.636 14.251 -8.016 1.00 95.27 C +ATOM 2246 N PHE A 281 -1.094 11.926 -4.482 1.00 96.26 N +ATOM 2247 CA PHE A 281 -0.189 11.690 -3.350 1.00 96.28 C +ATOM 2248 C PHE A 281 0.698 12.894 -3.058 1.00 96.25 C +ATOM 2249 O PHE A 281 0.898 13.221 -1.888 1.00 96.00 O +ATOM 2250 CB PHE A 281 0.645 10.441 -3.602 1.00 96.31 C +ATOM 2251 CG PHE A 281 -0.154 9.161 -3.433 1.00 96.49 C +ATOM 2252 CD1 PHE A 281 -0.669 8.812 -2.167 1.00 96.23 C +ATOM 2253 CD2 PHE A 281 -0.390 8.300 -4.518 1.00 96.26 C +ATOM 2254 CE1 PHE A 281 -1.425 7.633 -1.993 1.00 96.00 C +ATOM 2255 CE2 PHE A 281 -1.140 7.121 -4.354 1.00 96.02 C +ATOM 2256 CZ PHE A 281 -1.663 6.793 -3.096 1.00 96.02 C +ATOM 2257 N GLU A 282 1.133 13.614 -4.080 1.00 96.28 N +ATOM 2258 CA GLU A 282 1.866 14.876 -3.892 1.00 96.02 C +ATOM 2259 C GLU A 282 1.039 15.936 -3.149 1.00 96.21 C +ATOM 2260 O GLU A 282 1.584 16.658 -2.312 1.00 95.56 O +ATOM 2261 CB GLU A 282 2.306 15.468 -5.242 1.00 95.20 C +ATOM 2262 CG GLU A 282 3.491 14.716 -5.853 1.00 88.16 C +ATOM 2263 CD GLU A 282 4.088 15.439 -7.064 1.00 84.44 C +ATOM 2264 OE1 GLU A 282 5.312 15.282 -7.289 1.00 71.06 O +ATOM 2265 OE2 GLU A 282 3.325 16.149 -7.762 1.00 69.00 O +ATOM 2266 N ASN A 283 -0.252 15.987 -3.390 1.00 95.85 N +ATOM 2267 CA ASN A 283 -1.119 16.904 -2.649 1.00 95.80 C +ATOM 2268 C ASN A 283 -1.329 16.453 -1.202 1.00 95.96 C +ATOM 2269 O ASN A 283 -1.485 17.279 -0.312 1.00 95.55 O +ATOM 2270 CB ASN A 283 -2.483 17.013 -3.342 1.00 95.37 C +ATOM 2271 CG ASN A 283 -2.422 17.493 -4.787 1.00 93.80 C +ATOM 2272 OD1 ASN A 283 -3.113 16.947 -5.632 1.00 91.09 O +ATOM 2273 ND2 ASN A 283 -1.625 18.475 -5.103 1.00 87.92 N +ATOM 2274 N LEU A 284 -1.348 15.153 -0.964 1.00 96.05 N +ATOM 2275 CA LEU A 284 -1.589 14.571 0.357 1.00 96.09 C +ATOM 2276 C LEU A 284 -0.409 14.750 1.309 1.00 96.11 C +ATOM 2277 O LEU A 284 -0.637 14.987 2.502 1.00 95.86 O +ATOM 2278 CB LEU A 284 -1.927 13.089 0.191 1.00 96.14 C +ATOM 2279 CG LEU A 284 -3.317 12.811 -0.396 1.00 95.98 C +ATOM 2280 CD1 LEU A 284 -3.449 11.332 -0.760 1.00 95.63 C +ATOM 2281 CD2 LEU A 284 -4.417 13.137 0.606 1.00 95.45 C +ATOM 2282 N ILE A 285 0.815 14.716 0.813 1.00 96.05 N +ATOM 2283 CA ILE A 285 2.038 14.837 1.619 1.00 96.07 C +ATOM 2284 C ILE A 285 2.029 16.110 2.483 1.00 96.07 C +ATOM 2285 O ILE A 285 2.104 15.993 3.709 1.00 95.86 O +ATOM 2286 CB ILE A 285 3.296 14.736 0.738 1.00 95.93 C +ATOM 2287 CG1 ILE A 285 3.469 13.305 0.197 1.00 95.58 C +ATOM 2288 CG2 ILE A 285 4.565 15.140 1.523 1.00 95.47 C +ATOM 2289 CD1 ILE A 285 4.378 13.247 -1.042 1.00 94.51 C +ATOM 2290 N PRO A 286 1.922 17.333 1.935 1.00 95.77 N +ATOM 2291 CA PRO A 286 1.959 18.536 2.756 1.00 95.61 C +ATOM 2292 C PRO A 286 0.772 18.650 3.705 1.00 95.68 C +ATOM 2293 O PRO A 286 0.925 19.152 4.817 1.00 95.19 O +ATOM 2294 CB PRO A 286 2.005 19.690 1.750 1.00 95.22 C +ATOM 2295 CG PRO A 286 1.379 19.111 0.489 1.00 94.40 C +ATOM 2296 CD PRO A 286 1.816 17.670 0.539 1.00 95.15 C +ATOM 2297 N ILE A 287 -0.386 18.144 3.310 1.00 95.79 N +ATOM 2298 CA ILE A 287 -1.581 18.109 4.164 1.00 95.68 C +ATOM 2299 C ILE A 287 -1.335 17.230 5.384 1.00 95.77 C +ATOM 2300 O ILE A 287 -1.491 17.678 6.516 1.00 95.43 O +ATOM 2301 CB ILE A 287 -2.822 17.650 3.360 1.00 95.36 C +ATOM 2302 CG1 ILE A 287 -3.132 18.659 2.223 1.00 94.20 C +ATOM 2303 CG2 ILE A 287 -4.039 17.539 4.291 1.00 93.77 C +ATOM 2304 CD1 ILE A 287 -4.179 18.140 1.210 1.00 91.42 C +ATOM 2305 N LEU A 288 -0.872 16.002 5.152 1.00 95.63 N +ATOM 2306 CA LEU A 288 -0.577 15.060 6.236 1.00 95.57 C +ATOM 2307 C LEU A 288 0.560 15.542 7.120 1.00 95.58 C +ATOM 2308 O LEU A 288 0.497 15.357 8.331 1.00 95.25 O +ATOM 2309 CB LEU A 288 -0.261 13.687 5.646 1.00 95.49 C +ATOM 2310 CG LEU A 288 -1.513 12.951 5.148 1.00 95.06 C +ATOM 2311 CD1 LEU A 288 -1.079 11.767 4.302 1.00 94.44 C +ATOM 2312 CD2 LEU A 288 -2.350 12.424 6.324 1.00 94.25 C +ATOM 2313 N LYS A 289 1.555 16.203 6.553 1.00 95.05 N +ATOM 2314 CA LYS A 289 2.654 16.837 7.310 1.00 94.94 C +ATOM 2315 C LYS A 289 2.137 17.873 8.288 1.00 95.06 C +ATOM 2316 O LYS A 289 2.463 17.810 9.478 1.00 94.49 O +ATOM 2317 CB LYS A 289 3.661 17.408 6.313 1.00 94.15 C +ATOM 2318 CG LYS A 289 5.069 17.401 6.879 1.00 89.96 C +ATOM 2319 CD LYS A 289 6.065 17.781 5.766 1.00 86.09 C +ATOM 2320 CE LYS A 289 7.498 17.513 6.224 1.00 79.62 C +ATOM 2321 NZ LYS A 289 8.449 17.601 5.093 1.00 73.16 N1+ +ATOM 2322 N THR A 290 1.270 18.750 7.827 1.00 94.92 N +ATOM 2323 CA THR A 290 0.637 19.790 8.657 1.00 94.81 C +ATOM 2324 C THR A 290 -0.226 19.166 9.764 1.00 94.91 C +ATOM 2325 O THR A 290 -0.156 19.605 10.920 1.00 94.23 O +ATOM 2326 CB THR A 290 -0.216 20.724 7.793 1.00 94.25 C +ATOM 2327 OG1 THR A 290 0.575 21.305 6.786 1.00 91.68 O +ATOM 2328 CG2 THR A 290 -0.844 21.845 8.596 1.00 90.48 C +ATOM 2329 N VAL A 291 -1.019 18.170 9.420 1.00 94.61 N +ATOM 2330 CA VAL A 291 -1.891 17.498 10.396 1.00 94.51 C +ATOM 2331 C VAL A 291 -1.056 16.737 11.418 1.00 94.51 C +ATOM 2332 O VAL A 291 -1.313 16.833 12.628 1.00 93.90 O +ATOM 2333 CB VAL A 291 -2.911 16.604 9.694 1.00 94.02 C +ATOM 2334 CG1 VAL A 291 -3.843 17.396 8.786 1.00 92.20 C +ATOM 2335 CG2 VAL A 291 -3.812 15.895 10.688 1.00 91.91 C +ATOM 2336 N HIS A 292 -0.026 16.032 10.976 1.00 94.75 N +ATOM 2337 CA HIS A 292 0.912 15.354 11.874 1.00 94.59 C +ATOM 2338 C HIS A 292 1.578 16.294 12.872 1.00 94.44 C +ATOM 2339 O HIS A 292 1.575 16.017 14.081 1.00 93.69 O +ATOM 2340 CB HIS A 292 1.954 14.607 11.037 1.00 94.26 C +ATOM 2341 CG HIS A 292 3.110 14.097 11.844 1.00 93.35 C +ATOM 2342 ND1 HIS A 292 3.023 13.221 12.904 1.00 89.43 N1+ +ATOM 2343 CD2 HIS A 292 4.425 14.463 11.724 1.00 88.66 C +ATOM 2344 CE1 HIS A 292 4.258 13.067 13.431 1.00 88.59 C +ATOM 2345 NE2 HIS A 292 5.133 13.808 12.718 1.00 90.24 N +ATOM 2346 N GLU A 293 2.118 17.417 12.423 1.00 93.01 N +ATOM 2347 CA GLU A 293 2.720 18.429 13.297 1.00 92.69 C +ATOM 2348 C GLU A 293 1.734 18.952 14.328 1.00 92.68 C +ATOM 2349 O GLU A 293 2.059 19.038 15.524 1.00 91.85 O +ATOM 2350 CB GLU A 293 3.277 19.577 12.458 1.00 91.26 C +ATOM 2351 CG GLU A 293 4.586 19.167 11.769 1.00 82.04 C +ATOM 2352 CD GLU A 293 5.194 20.272 10.902 1.00 77.66 C +ATOM 2353 OE1 GLU A 293 6.303 20.057 10.375 1.00 66.84 O +ATOM 2354 OE2 GLU A 293 4.571 21.354 10.764 1.00 63.34 O +ATOM 2355 N LYS A 294 0.522 19.233 13.921 1.00 92.98 N +ATOM 2356 CA LYS A 294 -0.570 19.683 14.796 1.00 92.92 C +ATOM 2357 C LYS A 294 -0.825 18.701 15.934 1.00 93.00 C +ATOM 2358 O LYS A 294 -0.941 19.130 17.091 1.00 92.07 O +ATOM 2359 CB LYS A 294 -1.820 19.918 13.953 1.00 92.25 C +ATOM 2360 CG LYS A 294 -3.036 20.388 14.752 1.00 89.15 C +ATOM 2361 CD LYS A 294 -4.229 20.487 13.808 1.00 86.44 C +ATOM 2362 CE LYS A 294 -5.514 20.832 14.555 1.00 81.24 C +ATOM 2363 NZ LYS A 294 -6.694 20.761 13.649 1.00 72.60 N1+ +ATOM 2364 N TYR A 295 -0.876 17.417 15.666 1.00 92.93 N +ATOM 2365 CA TYR A 295 -1.164 16.414 16.702 1.00 93.08 C +ATOM 2366 C TYR A 295 0.079 15.978 17.488 1.00 92.87 C +ATOM 2367 O TYR A 295 -0.055 15.526 18.632 1.00 91.71 O +ATOM 2368 CB TYR A 295 -1.873 15.222 16.091 1.00 92.91 C +ATOM 2369 CG TYR A 295 -3.318 15.538 15.725 1.00 93.07 C +ATOM 2370 CD1 TYR A 295 -4.285 15.675 16.733 1.00 92.23 C +ATOM 2371 CD2 TYR A 295 -3.674 15.767 14.382 1.00 91.93 C +ATOM 2372 CE1 TYR A 295 -5.598 16.065 16.414 1.00 91.06 C +ATOM 2373 CE2 TYR A 295 -4.979 16.146 14.040 1.00 91.60 C +ATOM 2374 CZ TYR A 295 -5.930 16.297 15.051 1.00 91.82 C +ATOM 2375 OH TYR A 295 -7.201 16.696 14.736 1.00 90.25 O +ATOM 2376 N ARG A 296 1.266 16.169 16.965 1.00 89.25 N +ATOM 2377 CA ARG A 296 2.517 15.923 17.670 1.00 88.08 C +ATOM 2378 C ARG A 296 2.717 16.866 18.843 1.00 87.34 C +ATOM 2379 O ARG A 296 3.151 16.434 19.897 1.00 85.20 O +ATOM 2380 CB ARG A 296 3.682 15.992 16.677 1.00 86.51 C +ATOM 2381 CG ARG A 296 4.922 15.317 17.260 1.00 80.77 C +ATOM 2382 CD ARG A 296 6.124 15.418 16.307 1.00 79.96 C +ATOM 2383 NE ARG A 296 6.760 16.742 16.428 1.00 76.15 N +ATOM 2384 CZ ARG A 296 7.869 17.118 15.814 1.00 71.05 C +ATOM 2385 NH1 ARG A 296 8.486 16.342 14.989 1.00 66.13 N +ATOM 2386 NH2 ARG A 296 8.379 18.277 16.047 1.00 64.29 N1+ +ATOM 2387 N HIS A 297 2.366 18.120 18.702 1.00 80.03 N +ATOM 2388 CA HIS A 297 2.540 19.131 19.760 1.00 79.66 C +ATOM 2389 C HIS A 297 1.552 18.952 20.929 1.00 79.46 C +ATOM 2390 O HIS A 297 1.893 19.290 22.053 1.00 75.76 O +ATOM 2391 CB HIS A 297 2.437 20.518 19.157 1.00 76.39 C +ATOM 2392 CG HIS A 297 3.675 20.888 18.366 1.00 73.36 C +ATOM 2393 ND1 HIS A 297 4.979 20.944 18.879 1.00 63.84 N1+ +ATOM 2394 CD2 HIS A 297 3.767 21.185 17.020 1.00 64.52 C +ATOM 2395 CE1 HIS A 297 5.810 21.240 17.869 1.00 63.22 C +ATOM 2396 NE2 HIS A 297 5.114 21.405 16.736 1.00 63.23 N +ATOM 2397 N HIS A 298 0.427 18.353 20.717 1.00 71.41 N +ATOM 2398 CA HIS A 298 -0.550 18.115 21.790 1.00 70.39 C +ATOM 2399 C HIS A 298 -0.110 17.054 22.794 1.00 70.47 C +ATOM 2400 O HIS A 298 -0.556 17.092 23.942 1.00 66.64 O +ATOM 2401 CB HIS A 298 -1.900 17.759 21.180 1.00 65.85 C +ATOM 2402 CG HIS A 298 -2.646 18.949 20.652 1.00 64.18 C +ATOM 2403 ND1 HIS A 298 -3.022 20.056 21.415 1.00 53.57 N1+ +ATOM 2404 CD2 HIS A 298 -3.102 19.190 19.372 1.00 53.89 C +ATOM 2405 CE1 HIS A 298 -3.658 20.927 20.636 1.00 51.39 C +ATOM 2406 NE2 HIS A 298 -3.736 20.429 19.373 1.00 54.55 N +ATOM 2407 N HIS A 299 0.825 16.169 22.428 1.00 62.92 N +ATOM 2408 CA HIS A 299 1.328 15.130 23.349 1.00 62.31 C +ATOM 2409 C HIS A 299 2.468 15.610 24.262 1.00 62.57 C +ATOM 2410 O HIS A 299 2.857 14.888 25.189 1.00 57.90 O +ATOM 2411 CB HIS A 299 1.723 13.897 22.554 1.00 57.84 C +ATOM 2412 CG HIS A 299 0.541 12.968 22.356 1.00 55.29 C +ATOM 2413 ND1 HIS A 299 -0.152 12.330 23.368 1.00 47.48 N1+ +ATOM 2414 CD2 HIS A 299 -0.019 12.577 21.183 1.00 47.76 C +ATOM 2415 CE1 HIS A 299 -1.117 11.584 22.841 1.00 45.72 C +ATOM 2416 NE2 HIS A 299 -1.061 11.721 21.482 1.00 48.12 N +ATOM 2417 N HIS A 300 3.032 16.806 24.043 1.00 55.94 N +ATOM 2418 CA HIS A 300 4.072 17.367 24.944 1.00 53.82 C +ATOM 2419 C HIS A 300 3.539 18.318 26.014 1.00 54.85 C +ATOM 2420 O HIS A 300 4.323 18.867 26.758 1.00 51.51 O +ATOM 2421 CB HIS A 300 5.158 18.024 24.084 1.00 49.63 C +ATOM 2422 CG HIS A 300 6.072 17.032 23.414 1.00 46.47 C +ATOM 2423 ND1 HIS A 300 6.644 15.915 24.022 1.00 40.99 N1+ +ATOM 2424 CD2 HIS A 300 6.560 17.075 22.132 1.00 40.30 C +ATOM 2425 CE1 HIS A 300 7.437 15.304 23.151 1.00 37.26 C +ATOM 2426 NE2 HIS A 300 7.416 15.974 21.967 1.00 41.19 N +ATOM 2427 N HIS A 301 2.237 18.502 26.095 1.00 58.30 N +ATOM 2428 CA HIS A 301 1.579 19.413 27.034 1.00 56.35 C +ATOM 2429 C HIS A 301 0.646 18.733 28.051 1.00 56.41 C +ATOM 2430 O HIS A 301 -0.101 19.414 28.722 1.00 51.99 O +ATOM 2431 CB HIS A 301 0.875 20.533 26.277 1.00 52.03 C +ATOM 2432 CG HIS A 301 1.838 21.554 25.717 1.00 49.25 C +ATOM 2433 ND1 HIS A 301 2.763 22.251 26.452 1.00 43.16 N1+ +ATOM 2434 CD2 HIS A 301 1.943 21.978 24.419 1.00 42.29 C +ATOM 2435 CE1 HIS A 301 3.401 23.094 25.642 1.00 39.51 C +ATOM 2436 NE2 HIS A 301 2.936 22.931 24.381 1.00 41.68 N +ATOM 2437 N HIS A 302 0.706 17.420 28.164 1.00 50.99 N +ATOM 2438 CA HIS A 302 -0.009 16.637 29.166 1.00 48.27 C +ATOM 2439 C HIS A 302 0.902 15.696 29.928 1.00 48.00 C +ATOM 2440 O HIS A 302 1.812 15.123 29.309 1.00 43.13 O +ATOM 2441 CB HIS A 302 -1.180 15.885 28.500 1.00 44.04 C +ATOM 2442 CG HIS A 302 -2.360 16.775 28.228 1.00 41.44 C +ATOM 2443 ND1 HIS A 302 -2.968 17.597 29.158 1.00 36.55 N1+ +ATOM 2444 CD2 HIS A 302 -3.054 16.925 27.061 1.00 35.05 C +ATOM 2445 CE1 HIS A 302 -3.987 18.211 28.578 1.00 32.98 C +ATOM 2446 NE2 HIS A 302 -4.075 17.823 27.298 1.00 35.55 N +HETATM 2447 O1 LIG Z 1 6.559 -9.134 2.252 1.00 88.78 O +HETATM 2448 C1 LIG Z 1 5.810 -9.445 3.206 1.00 90.94 C +HETATM 2449 N1 LIG Z 1 6.219 -9.546 4.474 1.00 90.93 N +HETATM 2450 C2 LIG Z 1 7.500 -9.248 4.956 1.00 93.19 C +HETATM 2451 C3 LIG Z 1 8.567 -8.784 4.185 1.00 93.04 C +HETATM 2452 C4 LIG Z 1 9.769 -8.460 4.849 1.00 93.92 C +HETATM 2453 N2 LIG Z 1 9.877 -8.571 6.184 1.00 94.45 N +HETATM 2454 C5 LIG Z 1 8.813 -9.036 6.911 1.00 94.04 C +HETATM 2455 N3 LIG Z 1 8.946 -9.112 8.270 1.00 93.14 N +HETATM 2456 C6 LIG Z 1 8.132 -9.752 9.214 1.00 92.23 C +HETATM 2457 O2 LIG Z 1 7.064 -10.350 8.939 1.00 90.47 O +HETATM 2458 C7 LIG Z 1 8.634 -9.647 10.704 1.00 90.92 C +HETATM 2459 C8 LIG Z 1 7.728 -9.504 11.787 1.00 85.52 C +HETATM 2460 C9 LIG Z 1 8.174 -10.739 11.536 1.00 85.83 C +HETATM 2461 F1 LIG Z 1 8.967 -11.630 11.363 1.00 82.73 F +HETATM 2462 C10 LIG Z 1 7.601 -9.371 6.324 1.00 93.44 C +HETATM 2463 C11 LIG Z 1 4.400 -9.703 2.918 1.00 89.78 C +HETATM 2464 C12 LIG Z 1 3.601 -8.690 2.373 1.00 86.45 C +HETATM 2465 CL1 LIG Z 1 4.248 -7.110 2.110 1.00 85.81 CL +HETATM 2466 C13 LIG Z 1 2.253 -8.919 2.075 1.00 85.54 C +HETATM 2467 C14 LIG Z 1 1.679 -10.146 2.299 1.00 85.80 C +HETATM 2468 C15 LIG Z 1 2.450 -11.169 2.849 1.00 84.10 C +HETATM 2469 C16 LIG Z 1 3.801 -10.938 3.156 1.00 86.77 C +HETATM 2470 CL2 LIG Z 1 4.689 -12.216 3.885 1.00 84.58 CL +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2463 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 2462 +CONECT 2451 2450 2452 +CONECT 2452 2451 2453 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2462 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2460 +CONECT 2459 2458 2460 +CONECT 2460 2459 2461 2458 +CONECT 2461 2460 +CONECT 2462 2454 2450 +CONECT 2463 2448 2464 2469 +CONECT 2464 2463 2465 2466 +CONECT 2465 2464 +CONECT 2466 2464 2467 +CONECT 2467 2466 2468 +CONECT 2468 2467 2469 +CONECT 2469 2468 2470 2463 +CONECT 2470 2469 diff --git a/cookbook/assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..befdc1d --- /dev/null +++ b/cookbook/assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb @@ -0,0 +1,3096 @@ +ATOM 1 N MET A 1 44.971 -11.245 -12.055 1.00 34.68 N +ATOM 2 CA MET A 1 43.594 -11.235 -12.563 1.00 30.78 C +ATOM 3 C MET A 1 42.730 -10.942 -11.350 1.00 31.77 C +ATOM 4 O MET A 1 42.735 -11.738 -10.416 1.00 29.45 O +ATOM 5 CB MET A 1 43.227 -12.605 -13.169 1.00 28.82 C +ATOM 6 CG MET A 1 43.905 -12.810 -14.539 1.00 27.14 C +ATOM 7 SD MET A 1 43.682 -14.483 -15.190 1.00 23.89 S +ATOM 8 CE MET A 1 44.324 -14.280 -16.855 1.00 21.66 C +ATOM 9 N GLY A 2 42.093 -9.789 -11.321 1.00 33.47 N +ATOM 10 CA GLY A 2 41.147 -9.487 -10.247 1.00 31.23 C +ATOM 11 C GLY A 2 39.962 -10.444 -10.376 1.00 33.57 C +ATOM 12 O GLY A 2 39.566 -10.736 -11.496 1.00 32.28 O +ATOM 13 N SER A 3 39.441 -10.939 -9.260 1.00 41.70 N +ATOM 14 CA SER A 3 38.204 -11.693 -9.287 1.00 41.00 C +ATOM 15 C SER A 3 37.157 -10.776 -9.879 1.00 42.23 C +ATOM 16 O SER A 3 37.106 -9.613 -9.475 1.00 40.32 O +ATOM 17 CB SER A 3 37.795 -12.096 -7.851 1.00 36.94 C +ATOM 18 OG SER A 3 38.797 -12.942 -7.305 1.00 34.83 O +ATOM 19 N PRO A 4 36.363 -11.241 -10.848 1.00 46.82 N +ATOM 20 CA PRO A 4 35.255 -10.418 -11.327 1.00 45.01 C +ATOM 21 C PRO A 4 34.421 -10.041 -10.099 1.00 47.31 C +ATOM 22 O PRO A 4 34.130 -10.912 -9.308 1.00 43.93 O +ATOM 23 CB PRO A 4 34.506 -11.310 -12.325 1.00 40.04 C +ATOM 24 CG PRO A 4 34.873 -12.738 -11.923 1.00 39.34 C +ATOM 25 CD PRO A 4 36.293 -12.610 -11.357 1.00 40.27 C +ATOM 26 N ALA A 5 34.187 -8.747 -9.936 1.00 54.45 N +ATOM 27 CA ALA A 5 33.403 -8.279 -8.807 1.00 54.20 C +ATOM 28 C ALA A 5 32.081 -9.035 -8.818 1.00 56.37 C +ATOM 29 O ALA A 5 31.355 -8.972 -9.813 1.00 52.87 O +ATOM 30 CB ALA A 5 33.219 -6.756 -8.902 1.00 47.85 C +ATOM 31 N SER A 6 31.823 -9.795 -7.798 1.00 67.46 N +ATOM 32 CA SER A 6 30.592 -10.540 -7.704 1.00 68.17 C +ATOM 33 C SER A 6 29.442 -9.553 -7.725 1.00 69.83 C +ATOM 34 O SER A 6 29.423 -8.634 -6.904 1.00 65.40 O +ATOM 35 CB SER A 6 30.565 -11.354 -6.408 1.00 62.37 C +ATOM 36 OG SER A 6 29.330 -12.042 -6.270 1.00 55.60 O +ATOM 37 N ASP A 7 28.509 -9.723 -8.642 1.00 78.21 N +ATOM 38 CA ASP A 7 27.334 -8.880 -8.702 1.00 79.71 C +ATOM 39 C ASP A 7 26.590 -8.986 -7.377 1.00 81.50 C +ATOM 40 O ASP A 7 26.115 -10.079 -7.029 1.00 80.37 O +ATOM 41 CB ASP A 7 26.471 -9.286 -9.909 1.00 76.59 C +ATOM 42 CG ASP A 7 25.174 -8.486 -10.035 1.00 73.73 C +ATOM 43 OD1 ASP A 7 24.854 -7.673 -9.136 1.00 65.99 O +ATOM 44 OD2 ASP A 7 24.448 -8.695 -11.029 1.00 68.06 O +ATOM 45 N PRO A 8 26.477 -7.904 -6.606 1.00 85.23 N +ATOM 46 CA PRO A 8 25.888 -7.961 -5.274 1.00 85.75 C +ATOM 47 C PRO A 8 24.387 -8.266 -5.308 1.00 86.72 C +ATOM 48 O PRO A 8 23.807 -8.560 -4.265 1.00 84.13 O +ATOM 49 CB PRO A 8 26.179 -6.580 -4.681 1.00 82.31 C +ATOM 50 CG PRO A 8 26.225 -5.666 -5.903 1.00 79.40 C +ATOM 51 CD PRO A 8 26.894 -6.554 -6.954 1.00 82.53 C +ATOM 52 N THR A 9 23.762 -8.221 -6.476 1.00 89.32 N +ATOM 53 CA THR A 9 22.354 -8.592 -6.672 1.00 89.84 C +ATOM 54 C THR A 9 22.153 -10.084 -6.937 1.00 90.29 C +ATOM 55 O THR A 9 21.037 -10.549 -7.020 1.00 88.43 O +ATOM 56 CB THR A 9 21.709 -7.764 -7.781 1.00 88.35 C +ATOM 57 OG1 THR A 9 22.162 -8.129 -9.063 1.00 85.94 O +ATOM 58 CG2 THR A 9 21.942 -6.261 -7.621 1.00 85.83 C +ATOM 59 N VAL A 10 23.213 -10.861 -7.072 1.00 91.29 N +ATOM 60 CA VAL A 10 23.150 -12.310 -7.246 1.00 91.47 C +ATOM 61 C VAL A 10 23.336 -13.004 -5.894 1.00 92.00 C +ATOM 62 O VAL A 10 24.439 -13.075 -5.365 1.00 90.99 O +ATOM 63 CB VAL A 10 24.127 -12.808 -8.305 1.00 90.04 C +ATOM 64 CG1 VAL A 10 23.826 -12.186 -9.677 1.00 85.12 C +ATOM 65 CG2 VAL A 10 24.043 -14.332 -8.462 1.00 85.20 C +ATOM 66 N PHE A 11 22.278 -13.572 -5.404 1.00 92.30 N +ATOM 67 CA PHE A 11 22.303 -14.352 -4.164 1.00 92.62 C +ATOM 68 C PHE A 11 22.457 -15.849 -4.477 1.00 92.64 C +ATOM 69 O PHE A 11 21.769 -16.409 -5.312 1.00 91.97 O +ATOM 70 CB PHE A 11 21.026 -14.069 -3.366 1.00 92.69 C +ATOM 71 CG PHE A 11 21.052 -12.715 -2.674 1.00 93.53 C +ATOM 72 CD1 PHE A 11 21.245 -12.630 -1.278 1.00 92.61 C +ATOM 73 CD2 PHE A 11 20.901 -11.539 -3.416 1.00 92.38 C +ATOM 74 CE1 PHE A 11 21.311 -11.383 -0.641 1.00 91.79 C +ATOM 75 CE2 PHE A 11 20.966 -10.277 -2.781 1.00 92.29 C +ATOM 76 CZ PHE A 11 21.164 -10.201 -1.393 1.00 92.41 C +ATOM 77 N HIS A 12 23.356 -16.491 -3.774 1.00 91.32 N +ATOM 78 CA HIS A 12 23.606 -17.911 -3.969 1.00 91.24 C +ATOM 79 C HIS A 12 22.813 -18.735 -2.948 1.00 91.54 C +ATOM 80 O HIS A 12 23.010 -18.598 -1.752 1.00 90.43 O +ATOM 81 CB HIS A 12 25.102 -18.220 -3.891 1.00 89.92 C +ATOM 82 CG HIS A 12 25.856 -17.556 -4.997 1.00 88.10 C +ATOM 83 ND1 HIS A 12 25.879 -17.989 -6.317 1.00 79.92 N1+ +ATOM 84 CD2 HIS A 12 26.684 -16.468 -4.903 1.00 79.11 C +ATOM 85 CE1 HIS A 12 26.669 -17.147 -6.993 1.00 78.52 C +ATOM 86 NE2 HIS A 12 27.177 -16.223 -6.167 1.00 79.70 N +ATOM 87 N LYS A 13 21.993 -19.635 -3.438 1.00 90.18 N +ATOM 88 CA LYS A 13 21.130 -20.482 -2.611 1.00 90.42 C +ATOM 89 C LYS A 13 21.862 -21.246 -1.496 1.00 91.02 C +ATOM 90 O LYS A 13 21.323 -21.442 -0.421 1.00 89.50 O +ATOM 91 CB LYS A 13 20.338 -21.426 -3.523 1.00 88.18 C +ATOM 92 CG LYS A 13 19.168 -22.122 -2.805 1.00 77.40 C +ATOM 93 CD LYS A 13 18.261 -22.838 -3.826 1.00 73.14 C +ATOM 94 CE LYS A 13 17.019 -23.409 -3.134 1.00 66.77 C +ATOM 95 NZ LYS A 13 15.954 -23.766 -4.131 1.00 60.26 N1+ +ATOM 96 N ARG A 14 23.111 -21.631 -1.742 1.00 89.73 N +ATOM 97 CA ARG A 14 23.955 -22.314 -0.752 1.00 89.43 C +ATOM 98 C ARG A 14 24.261 -21.512 0.520 1.00 89.90 C +ATOM 99 O ARG A 14 24.567 -22.103 1.546 1.00 88.17 O +ATOM 100 CB ARG A 14 25.251 -22.788 -1.425 1.00 87.82 C +ATOM 101 CG ARG A 14 26.192 -21.631 -1.859 1.00 81.74 C +ATOM 102 CD ARG A 14 27.463 -22.159 -2.519 1.00 78.28 C +ATOM 103 NE ARG A 14 28.309 -21.063 -2.971 1.00 72.97 N +ATOM 104 CZ ARG A 14 28.350 -20.505 -4.175 1.00 67.60 C +ATOM 105 NH1 ARG A 14 27.514 -20.861 -5.117 1.00 61.92 N +ATOM 106 NH2 ARG A 14 29.159 -19.541 -4.423 1.00 61.15 N1+ +ATOM 107 N TYR A 15 24.190 -20.175 0.419 1.00 91.02 N +ATOM 108 CA TYR A 15 24.418 -19.275 1.552 1.00 91.26 C +ATOM 109 C TYR A 15 23.117 -18.774 2.196 1.00 91.61 C +ATOM 110 O TYR A 15 23.180 -18.055 3.188 1.00 90.62 O +ATOM 111 CB TYR A 15 25.254 -18.086 1.080 1.00 90.76 C +ATOM 112 CG TYR A 15 26.592 -18.461 0.441 1.00 90.52 C +ATOM 113 CD1 TYR A 15 27.458 -19.348 1.111 1.00 87.97 C +ATOM 114 CD2 TYR A 15 26.965 -17.896 -0.792 1.00 87.37 C +ATOM 115 CE1 TYR A 15 28.697 -19.669 0.548 1.00 86.08 C +ATOM 116 CE2 TYR A 15 28.218 -18.213 -1.361 1.00 86.85 C +ATOM 117 CZ TYR A 15 29.079 -19.101 -0.695 1.00 87.15 C +ATOM 118 OH TYR A 15 30.320 -19.420 -1.252 1.00 85.02 O +ATOM 119 N LEU A 16 21.981 -19.137 1.660 1.00 91.77 N +ATOM 120 CA LEU A 16 20.682 -18.816 2.223 1.00 92.14 C +ATOM 121 C LEU A 16 20.251 -19.903 3.212 1.00 92.05 C +ATOM 122 O LEU A 16 19.917 -21.011 2.817 1.00 90.84 O +ATOM 123 CB LEU A 16 19.646 -18.633 1.100 1.00 91.68 C +ATOM 124 CG LEU A 16 19.760 -17.297 0.349 1.00 90.05 C +ATOM 125 CD1 LEU A 16 18.838 -17.323 -0.888 1.00 88.99 C +ATOM 126 CD2 LEU A 16 19.301 -16.124 1.212 1.00 88.38 C +ATOM 127 N LYS A 17 20.177 -19.543 4.461 1.00 92.43 N +ATOM 128 CA LYS A 17 19.722 -20.419 5.544 1.00 92.14 C +ATOM 129 C LYS A 17 18.322 -19.970 5.969 1.00 92.30 C +ATOM 130 O LYS A 17 18.166 -18.894 6.553 1.00 91.17 O +ATOM 131 CB LYS A 17 20.717 -20.376 6.708 1.00 90.73 C +ATOM 132 CG LYS A 17 22.077 -20.961 6.310 1.00 84.34 C +ATOM 133 CD LYS A 17 23.121 -20.786 7.410 1.00 80.63 C +ATOM 134 CE LYS A 17 24.487 -21.245 6.900 1.00 75.42 C +ATOM 135 NZ LYS A 17 25.632 -20.828 7.780 1.00 66.76 N1+ +ATOM 136 N LYS A 18 17.328 -20.772 5.687 1.00 91.66 N +ATOM 137 CA LYS A 18 15.947 -20.459 6.064 1.00 91.68 C +ATOM 138 C LYS A 18 15.808 -20.469 7.593 1.00 91.64 C +ATOM 139 O LYS A 18 16.231 -21.420 8.229 1.00 90.63 O +ATOM 140 CB LYS A 18 14.961 -21.436 5.392 1.00 90.93 C +ATOM 141 CG LYS A 18 13.520 -21.052 5.693 1.00 87.87 C +ATOM 142 CD LYS A 18 12.514 -21.977 4.968 1.00 85.84 C +ATOM 143 CE LYS A 18 11.114 -21.471 5.352 1.00 81.77 C +ATOM 144 NZ LYS A 18 10.003 -22.211 4.705 1.00 76.74 N1+ +ATOM 145 N ILE A 19 15.147 -19.429 8.110 1.00 91.98 N +ATOM 146 CA ILE A 19 14.857 -19.298 9.540 1.00 92.02 C +ATOM 147 C ILE A 19 13.388 -19.619 9.798 1.00 92.08 C +ATOM 148 O ILE A 19 13.090 -20.494 10.617 1.00 91.36 O +ATOM 149 CB ILE A 19 15.253 -17.893 10.042 1.00 91.48 C +ATOM 150 CG1 ILE A 19 16.752 -17.628 9.804 1.00 89.59 C +ATOM 151 CG2 ILE A 19 14.884 -17.737 11.531 1.00 88.70 C +ATOM 152 CD1 ILE A 19 17.203 -16.220 10.161 1.00 84.70 C +ATOM 153 N ARG A 20 12.478 -18.958 9.116 1.00 90.07 N +ATOM 154 CA ARG A 20 11.028 -19.162 9.278 1.00 89.60 C +ATOM 155 C ARG A 20 10.239 -18.617 8.111 1.00 90.02 C +ATOM 156 O ARG A 20 10.744 -17.793 7.360 1.00 88.95 O +ATOM 157 CB ARG A 20 10.541 -18.515 10.583 1.00 88.33 C +ATOM 158 CG ARG A 20 10.727 -16.987 10.632 1.00 84.09 C +ATOM 159 CD ARG A 20 10.255 -16.427 11.970 1.00 81.24 C +ATOM 160 NE ARG A 20 10.390 -14.977 12.020 1.00 78.00 N +ATOM 161 CZ ARG A 20 10.365 -14.200 13.089 1.00 75.35 C +ATOM 162 NH1 ARG A 20 10.235 -14.700 14.279 1.00 71.27 N +ATOM 163 NH2 ARG A 20 10.482 -12.932 12.980 1.00 70.38 N1+ +ATOM 164 N ASP A 21 8.982 -18.987 8.022 1.00 90.21 N +ATOM 165 CA ASP A 21 8.037 -18.347 7.114 1.00 90.55 C +ATOM 166 C ASP A 21 7.544 -17.023 7.713 1.00 90.78 C +ATOM 167 O ASP A 21 7.317 -16.936 8.922 1.00 89.68 O +ATOM 168 CB ASP A 21 6.898 -19.320 6.812 1.00 89.51 C +ATOM 169 CG ASP A 21 7.401 -20.582 6.096 1.00 86.67 C +ATOM 170 OD1 ASP A 21 8.323 -20.476 5.269 1.00 81.97 O +ATOM 171 OD2 ASP A 21 6.850 -21.669 6.330 1.00 80.26 O +ATOM 172 N LEU A 22 7.392 -16.030 6.872 1.00 90.74 N +ATOM 173 CA LEU A 22 6.858 -14.722 7.231 1.00 90.81 C +ATOM 174 C LEU A 22 5.406 -14.552 6.797 1.00 90.55 C +ATOM 175 O LEU A 22 4.657 -13.821 7.436 1.00 89.65 O +ATOM 176 CB LEU A 22 7.737 -13.627 6.602 1.00 91.23 C +ATOM 177 CG LEU A 22 9.185 -13.565 7.094 1.00 91.93 C +ATOM 178 CD1 LEU A 22 9.935 -12.475 6.354 1.00 91.35 C +ATOM 179 CD2 LEU A 22 9.271 -13.274 8.589 1.00 90.85 C +ATOM 180 N GLY A 23 5.003 -15.226 5.746 1.00 84.93 N +ATOM 181 CA GLY A 23 3.631 -15.212 5.251 1.00 84.15 C +ATOM 182 C GLY A 23 3.534 -15.506 3.762 1.00 84.59 C +ATOM 183 O GLY A 23 4.501 -15.897 3.126 1.00 83.51 O +ATOM 184 N GLU A 24 2.357 -15.322 3.231 1.00 80.49 N +ATOM 185 CA GLU A 24 2.094 -15.455 1.800 1.00 80.61 C +ATOM 186 C GLU A 24 1.670 -14.108 1.224 1.00 80.70 C +ATOM 187 O GLU A 24 0.809 -13.414 1.773 1.00 77.58 O +ATOM 188 CB GLU A 24 1.049 -16.534 1.505 1.00 77.97 C +ATOM 189 CG GLU A 24 1.519 -17.922 1.945 1.00 73.17 C +ATOM 190 CD GLU A 24 0.696 -19.077 1.371 1.00 70.30 C +ATOM 191 OE1 GLU A 24 1.132 -20.251 1.519 1.00 60.00 O +ATOM 192 OE2 GLU A 24 -0.346 -18.814 0.739 1.00 59.73 O +ATOM 193 N GLY A 25 2.283 -13.710 0.127 1.00 78.89 N +ATOM 194 CA GLY A 25 1.894 -12.578 -0.701 1.00 78.91 C +ATOM 195 C GLY A 25 1.276 -13.050 -2.009 1.00 80.73 C +ATOM 196 O GLY A 25 1.009 -14.242 -2.207 1.00 77.84 O +ATOM 197 N HIS A 26 1.061 -12.115 -2.932 1.00 76.91 N +ATOM 198 CA HIS A 26 0.610 -12.495 -4.269 1.00 76.33 C +ATOM 199 C HIS A 26 1.661 -13.361 -4.967 1.00 77.24 C +ATOM 200 O HIS A 26 2.862 -13.107 -4.857 1.00 74.02 O +ATOM 201 CB HIS A 26 0.278 -11.243 -5.079 1.00 73.11 C +ATOM 202 CG HIS A 26 -1.055 -11.356 -5.743 1.00 72.71 C +ATOM 203 ND1 HIS A 26 -1.284 -11.921 -6.981 1.00 60.37 N1+ +ATOM 204 CD2 HIS A 26 -2.266 -10.962 -5.234 1.00 62.44 C +ATOM 205 CE1 HIS A 26 -2.609 -11.876 -7.225 1.00 61.18 C +ATOM 206 NE2 HIS A 26 -3.232 -11.297 -6.185 1.00 61.70 N +ATOM 207 N PHE A 27 1.250 -14.381 -5.646 1.00 76.83 N +ATOM 208 CA PHE A 27 2.056 -15.360 -6.406 1.00 77.63 C +ATOM 209 C PHE A 27 3.027 -16.248 -5.630 1.00 78.04 C +ATOM 210 O PHE A 27 3.568 -17.176 -6.224 1.00 71.65 O +ATOM 211 CB PHE A 27 2.796 -14.671 -7.554 1.00 72.65 C +ATOM 212 CG PHE A 27 1.934 -13.757 -8.383 1.00 74.06 C +ATOM 213 CD1 PHE A 27 0.808 -14.258 -9.042 1.00 67.55 C +ATOM 214 CD2 PHE A 27 2.242 -12.395 -8.490 1.00 68.97 C +ATOM 215 CE1 PHE A 27 -0.009 -13.394 -9.800 1.00 63.39 C +ATOM 216 CE2 PHE A 27 1.430 -11.535 -9.250 1.00 66.75 C +ATOM 217 CZ PHE A 27 0.310 -12.036 -9.914 1.00 66.40 C +ATOM 218 N GLY A 28 3.243 -16.022 -4.337 1.00 80.57 N +ATOM 219 CA GLY A 28 4.269 -16.777 -3.647 1.00 81.13 C +ATOM 220 C GLY A 28 4.279 -16.671 -2.139 1.00 82.53 C +ATOM 221 O GLY A 28 3.412 -16.070 -1.518 1.00 80.45 O +ATOM 222 N LYS A 29 5.294 -17.256 -1.572 1.00 87.57 N +ATOM 223 CA LYS A 29 5.548 -17.312 -0.140 1.00 88.12 C +ATOM 224 C LYS A 29 6.772 -16.474 0.210 1.00 88.84 C +ATOM 225 O LYS A 29 7.789 -16.591 -0.468 1.00 86.99 O +ATOM 226 CB LYS A 29 5.721 -18.772 0.256 1.00 85.79 C +ATOM 227 CG LYS A 29 5.728 -18.961 1.768 1.00 78.26 C +ATOM 228 CD LYS A 29 5.856 -20.432 2.130 1.00 73.15 C +ATOM 229 CE LYS A 29 5.553 -20.606 3.604 1.00 67.31 C +ATOM 230 NZ LYS A 29 5.731 -21.992 4.073 1.00 61.78 N1+ +ATOM 231 N VAL A 30 6.684 -15.693 1.286 1.00 91.65 N +ATOM 232 CA VAL A 30 7.808 -14.924 1.820 1.00 91.87 C +ATOM 233 C VAL A 30 8.338 -15.616 3.059 1.00 91.94 C +ATOM 234 O VAL A 30 7.598 -15.974 3.962 1.00 91.36 O +ATOM 235 CB VAL A 30 7.430 -13.476 2.109 1.00 91.36 C +ATOM 236 CG1 VAL A 30 6.816 -12.796 0.876 1.00 90.38 C +ATOM 237 CG2 VAL A 30 8.660 -12.657 2.516 1.00 90.19 C +ATOM 238 N SER A 31 9.640 -15.813 3.115 1.00 93.41 N +ATOM 239 CA SER A 31 10.337 -16.428 4.244 1.00 93.39 C +ATOM 240 C SER A 31 11.523 -15.581 4.679 1.00 93.59 C +ATOM 241 O SER A 31 12.174 -14.934 3.853 1.00 92.86 O +ATOM 242 CB SER A 31 10.796 -17.842 3.899 1.00 92.70 C +ATOM 243 OG SER A 31 9.699 -18.649 3.472 1.00 89.95 O +ATOM 244 N LEU A 32 11.815 -15.586 5.953 1.00 93.52 N +ATOM 245 CA LEU A 32 13.030 -15.020 6.509 1.00 93.67 C +ATOM 246 C LEU A 32 14.204 -15.987 6.304 1.00 93.70 C +ATOM 247 O LEU A 32 14.110 -17.153 6.656 1.00 93.22 O +ATOM 248 CB LEU A 32 12.819 -14.711 8.002 1.00 93.52 C +ATOM 249 CG LEU A 32 14.043 -14.142 8.723 1.00 92.80 C +ATOM 250 CD1 LEU A 32 13.714 -13.977 10.205 1.00 92.14 C +ATOM 251 CD2 LEU A 32 14.475 -12.787 8.175 1.00 91.98 C +ATOM 252 N TYR A 33 15.266 -15.447 5.760 1.00 93.88 N +ATOM 253 CA TYR A 33 16.537 -16.168 5.613 1.00 93.85 C +ATOM 254 C TYR A 33 17.668 -15.348 6.223 1.00 93.93 C +ATOM 255 O TYR A 33 17.623 -14.127 6.243 1.00 93.48 O +ATOM 256 CB TYR A 33 16.814 -16.443 4.133 1.00 93.49 C +ATOM 257 CG TYR A 33 15.996 -17.562 3.513 1.00 93.16 C +ATOM 258 CD1 TYR A 33 16.582 -18.801 3.244 1.00 91.95 C +ATOM 259 CD2 TYR A 33 14.647 -17.336 3.167 1.00 91.77 C +ATOM 260 CE1 TYR A 33 15.826 -19.823 2.640 1.00 90.88 C +ATOM 261 CE2 TYR A 33 13.882 -18.356 2.580 1.00 90.85 C +ATOM 262 CZ TYR A 33 14.477 -19.591 2.319 1.00 91.08 C +ATOM 263 OH TYR A 33 13.742 -20.604 1.732 1.00 90.03 O +ATOM 264 N CYS A 34 18.702 -16.012 6.657 1.00 93.42 N +ATOM 265 CA CYS A 34 20.027 -15.461 6.832 1.00 93.45 C +ATOM 266 C CYS A 34 20.855 -15.737 5.578 1.00 93.55 C +ATOM 267 O CYS A 34 20.966 -16.889 5.172 1.00 92.57 O +ATOM 268 CB CYS A 34 20.662 -16.093 8.074 1.00 92.30 C +ATOM 269 SG CYS A 34 22.276 -15.357 8.421 1.00 88.23 S +ATOM 270 N TYR A 35 21.410 -14.690 4.985 1.00 92.09 N +ATOM 271 CA TYR A 35 22.364 -14.811 3.883 1.00 92.06 C +ATOM 272 C TYR A 35 23.773 -14.656 4.428 1.00 91.67 C +ATOM 273 O TYR A 35 24.171 -13.554 4.803 1.00 90.91 O +ATOM 274 CB TYR A 35 22.056 -13.806 2.790 1.00 92.24 C +ATOM 275 CG TYR A 35 22.905 -14.024 1.562 1.00 93.14 C +ATOM 276 CD1 TYR A 35 22.721 -15.174 0.770 1.00 92.48 C +ATOM 277 CD2 TYR A 35 23.917 -13.115 1.201 1.00 92.57 C +ATOM 278 CE1 TYR A 35 23.492 -15.394 -0.369 1.00 92.12 C +ATOM 279 CE2 TYR A 35 24.713 -13.331 0.048 1.00 92.18 C +ATOM 280 CZ TYR A 35 24.490 -14.472 -0.732 1.00 92.34 C +ATOM 281 OH TYR A 35 25.246 -14.707 -1.854 1.00 91.26 O +ATOM 282 N ASP A 36 24.506 -15.731 4.468 1.00 89.02 N +ATOM 283 CA ASP A 36 25.823 -15.797 5.094 1.00 89.24 C +ATOM 284 C ASP A 36 26.896 -16.350 4.130 1.00 88.97 C +ATOM 285 O ASP A 36 27.236 -17.538 4.167 1.00 87.74 O +ATOM 286 CB ASP A 36 25.695 -16.641 6.370 1.00 88.51 C +ATOM 287 CG ASP A 36 26.948 -16.624 7.235 1.00 89.27 C +ATOM 288 OD1 ASP A 36 27.864 -15.821 6.957 1.00 85.33 O +ATOM 289 OD2 ASP A 36 26.948 -17.381 8.213 1.00 84.54 O +ATOM 290 N PRO A 37 27.407 -15.505 3.235 1.00 87.98 N +ATOM 291 CA PRO A 37 28.387 -15.960 2.214 1.00 87.45 C +ATOM 292 C PRO A 37 29.755 -16.303 2.781 1.00 87.29 C +ATOM 293 O PRO A 37 30.491 -17.067 2.163 1.00 84.50 O +ATOM 294 CB PRO A 37 28.443 -14.821 1.206 1.00 85.70 C +ATOM 295 CG PRO A 37 28.082 -13.600 2.018 1.00 84.46 C +ATOM 296 CD PRO A 37 27.071 -14.124 3.009 1.00 86.86 C +ATOM 297 N THR A 38 30.095 -15.733 3.930 1.00 85.81 N +ATOM 298 CA THR A 38 31.358 -16.029 4.620 1.00 85.19 C +ATOM 299 C THR A 38 31.260 -17.248 5.527 1.00 85.02 C +ATOM 300 O THR A 38 32.288 -17.866 5.859 1.00 82.18 O +ATOM 301 CB THR A 38 31.827 -14.839 5.421 1.00 82.95 C +ATOM 302 OG1 THR A 38 30.797 -14.324 6.230 1.00 77.94 O +ATOM 303 CG2 THR A 38 32.295 -13.694 4.525 1.00 78.34 C +ATOM 304 N ASN A 39 30.069 -17.650 5.855 1.00 82.19 N +ATOM 305 CA ASN A 39 29.734 -18.811 6.686 1.00 81.77 C +ATOM 306 C ASN A 39 30.341 -18.726 8.112 1.00 81.97 C +ATOM 307 O ASN A 39 30.697 -19.733 8.710 1.00 78.77 O +ATOM 308 CB ASN A 39 30.087 -20.105 5.909 1.00 78.93 C +ATOM 309 CG ASN A 39 29.110 -21.238 6.093 1.00 76.83 C +ATOM 310 OD1 ASN A 39 28.031 -21.140 6.662 1.00 68.73 O +ATOM 311 ND2 ASN A 39 29.468 -22.382 5.587 1.00 68.25 N +ATOM 312 N ASP A 40 30.436 -17.524 8.602 1.00 81.12 N +ATOM 313 CA ASP A 40 30.994 -17.169 9.899 1.00 80.53 C +ATOM 314 C ASP A 40 29.950 -16.770 10.943 1.00 80.98 C +ATOM 315 O ASP A 40 30.256 -16.426 12.074 1.00 77.24 O +ATOM 316 CB ASP A 40 32.067 -16.079 9.713 1.00 78.43 C +ATOM 317 CG ASP A 40 31.494 -14.744 9.213 1.00 78.49 C +ATOM 318 OD1 ASP A 40 30.262 -14.605 9.100 1.00 72.13 O +ATOM 319 OD2 ASP A 40 32.317 -13.837 8.911 1.00 72.93 O +ATOM 320 N GLY A 41 28.689 -16.801 10.597 1.00 79.52 N +ATOM 321 CA GLY A 41 27.564 -16.426 11.463 1.00 79.51 C +ATOM 322 C GLY A 41 27.242 -14.933 11.459 1.00 81.24 C +ATOM 323 O GLY A 41 26.317 -14.542 12.167 1.00 78.39 O +ATOM 324 N THR A 42 27.907 -14.128 10.664 1.00 83.28 N +ATOM 325 CA THR A 42 27.658 -12.677 10.527 1.00 83.33 C +ATOM 326 C THR A 42 26.684 -12.320 9.390 1.00 83.97 C +ATOM 327 O THR A 42 26.624 -11.189 8.959 1.00 80.43 O +ATOM 328 CB THR A 42 28.949 -11.886 10.385 1.00 81.09 C +ATOM 329 OG1 THR A 42 29.604 -12.183 9.162 1.00 76.74 O +ATOM 330 CG2 THR A 42 29.919 -12.131 11.527 1.00 76.48 C +ATOM 331 N GLY A 43 25.964 -13.280 8.889 1.00 87.24 N +ATOM 332 CA GLY A 43 25.100 -13.141 7.743 1.00 87.52 C +ATOM 333 C GLY A 43 23.986 -12.131 7.908 1.00 88.53 C +ATOM 334 O GLY A 43 23.499 -11.822 9.004 1.00 86.60 O +ATOM 335 N GLU A 44 23.546 -11.592 6.795 1.00 90.58 N +ATOM 336 CA GLU A 44 22.480 -10.594 6.729 1.00 91.09 C +ATOM 337 C GLU A 44 21.106 -11.253 6.727 1.00 92.00 C +ATOM 338 O GLU A 44 20.851 -12.205 5.995 1.00 90.32 O +ATOM 339 CB GLU A 44 22.704 -9.731 5.481 1.00 88.87 C +ATOM 340 CG GLU A 44 21.680 -8.603 5.401 1.00 78.02 C +ATOM 341 CD GLU A 44 21.795 -7.733 4.148 1.00 73.74 C +ATOM 342 OE1 GLU A 44 21.095 -6.705 4.119 1.00 63.59 O +ATOM 343 OE2 GLU A 44 22.530 -8.056 3.199 1.00 60.18 O +ATOM 344 N MET A 45 20.171 -10.691 7.481 1.00 93.90 N +ATOM 345 CA MET A 45 18.768 -11.109 7.406 1.00 94.12 C +ATOM 346 C MET A 45 18.128 -10.540 6.142 1.00 94.57 C +ATOM 347 O MET A 45 18.187 -9.342 5.883 1.00 93.79 O +ATOM 348 CB MET A 45 17.999 -10.650 8.643 1.00 93.14 C +ATOM 349 CG MET A 45 18.521 -11.313 9.911 1.00 89.35 C +ATOM 350 SD MET A 45 18.355 -13.115 9.899 1.00 88.13 S +ATOM 351 CE MET A 45 19.439 -13.512 11.284 1.00 80.87 C +ATOM 352 N VAL A 46 17.475 -11.381 5.383 1.00 95.02 N +ATOM 353 CA VAL A 46 16.768 -11.033 4.158 1.00 95.10 C +ATOM 354 C VAL A 46 15.398 -11.681 4.115 1.00 95.17 C +ATOM 355 O VAL A 46 15.183 -12.786 4.621 1.00 94.87 O +ATOM 356 CB VAL A 46 17.586 -11.386 2.900 1.00 94.97 C +ATOM 357 CG1 VAL A 46 18.880 -10.579 2.835 1.00 94.55 C +ATOM 358 CG2 VAL A 46 17.932 -12.869 2.793 1.00 94.49 C +ATOM 359 N ALA A 47 14.458 -11.013 3.469 1.00 94.93 N +ATOM 360 CA ALA A 47 13.172 -11.596 3.128 1.00 94.79 C +ATOM 361 C ALA A 47 13.243 -12.161 1.708 1.00 94.86 C +ATOM 362 O ALA A 47 13.599 -11.469 0.761 1.00 94.67 O +ATOM 363 CB ALA A 47 12.077 -10.558 3.298 1.00 94.64 C +ATOM 364 N VAL A 48 12.898 -13.406 1.543 1.00 94.61 N +ATOM 365 CA VAL A 48 12.932 -14.088 0.247 1.00 94.58 C +ATOM 366 C VAL A 48 11.519 -14.475 -0.146 1.00 94.37 C +ATOM 367 O VAL A 48 10.879 -15.262 0.539 1.00 94.02 O +ATOM 368 CB VAL A 48 13.861 -15.305 0.283 1.00 94.55 C +ATOM 369 CG1 VAL A 48 15.277 -14.903 0.713 1.00 94.11 C +ATOM 370 CG2 VAL A 48 13.957 -15.970 -1.090 1.00 94.15 C +ATOM 371 N LYS A 49 11.069 -13.953 -1.269 1.00 92.39 N +ATOM 372 CA LYS A 49 9.790 -14.332 -1.867 1.00 92.17 C +ATOM 373 C LYS A 49 10.036 -15.335 -2.986 1.00 92.02 C +ATOM 374 O LYS A 49 10.808 -15.087 -3.912 1.00 91.54 O +ATOM 375 CB LYS A 49 9.029 -13.090 -2.326 1.00 91.73 C +ATOM 376 CG LYS A 49 7.580 -13.371 -2.759 1.00 90.64 C +ATOM 377 CD LYS A 49 6.834 -12.047 -3.053 1.00 89.36 C +ATOM 378 CE LYS A 49 5.369 -12.286 -3.427 1.00 87.33 C +ATOM 379 NZ LYS A 49 4.668 -11.028 -3.786 1.00 83.87 N1+ +ATOM 380 N ALA A 50 9.390 -16.470 -2.882 1.00 91.20 N +ATOM 381 CA ALA A 50 9.473 -17.562 -3.838 1.00 90.91 C +ATOM 382 C ALA A 50 8.121 -17.779 -4.517 1.00 90.74 C +ATOM 383 O ALA A 50 7.084 -17.836 -3.840 1.00 89.29 O +ATOM 384 CB ALA A 50 9.970 -18.823 -3.126 1.00 89.91 C +ATOM 385 N LEU A 51 8.116 -17.953 -5.811 1.00 82.59 N +ATOM 386 CA LEU A 51 6.941 -18.384 -6.559 1.00 82.61 C +ATOM 387 C LEU A 51 6.591 -19.823 -6.205 1.00 81.82 C +ATOM 388 O LEU A 51 7.480 -20.659 -6.062 1.00 80.16 O +ATOM 389 CB LEU A 51 7.231 -18.219 -8.066 1.00 81.32 C +ATOM 390 CG LEU A 51 6.003 -18.459 -8.979 1.00 78.99 C +ATOM 391 CD1 LEU A 51 6.437 -18.444 -10.431 1.00 77.87 C +ATOM 392 CD2 LEU A 51 4.944 -17.375 -8.784 1.00 77.10 C +ATOM 393 N LYS A 52 5.324 -20.137 -6.093 1.00 79.72 N +ATOM 394 CA LYS A 52 4.859 -21.500 -5.866 1.00 78.69 C +ATOM 395 C LYS A 52 5.278 -22.413 -7.026 1.00 78.38 C +ATOM 396 O LYS A 52 5.230 -22.014 -8.184 1.00 76.02 O +ATOM 397 CB LYS A 52 3.338 -21.530 -5.660 1.00 75.67 C +ATOM 398 CG LYS A 52 2.945 -20.782 -4.377 1.00 71.21 C +ATOM 399 CD LYS A 52 1.428 -20.811 -4.158 1.00 66.95 C +ATOM 400 CE LYS A 52 1.091 -20.034 -2.879 1.00 60.14 C +ATOM 401 NZ LYS A 52 -0.352 -20.069 -2.540 1.00 55.03 N1+ +ATOM 402 N ALA A 53 5.671 -23.616 -6.725 1.00 79.56 N +ATOM 403 CA ALA A 53 6.237 -24.543 -7.714 1.00 79.10 C +ATOM 404 C ALA A 53 5.240 -24.950 -8.804 1.00 79.08 C +ATOM 405 O ALA A 53 5.636 -25.178 -9.951 1.00 76.26 O +ATOM 406 CB ALA A 53 6.761 -25.772 -6.964 1.00 77.30 C +ATOM 407 N ASP A 54 3.996 -25.035 -8.471 1.00 78.30 N +ATOM 408 CA ASP A 54 2.873 -25.366 -9.343 1.00 78.43 C +ATOM 409 C ASP A 54 2.272 -24.153 -10.082 1.00 79.35 C +ATOM 410 O ASP A 54 1.269 -24.301 -10.784 1.00 76.18 O +ATOM 411 CB ASP A 54 1.817 -26.108 -8.503 1.00 76.03 C +ATOM 412 CG ASP A 54 1.211 -25.276 -7.365 1.00 75.14 C +ATOM 413 OD1 ASP A 54 1.901 -24.341 -6.864 1.00 66.73 O +ATOM 414 OD2 ASP A 54 0.076 -25.583 -6.949 1.00 67.13 O +ATOM 415 N ALA A 55 2.871 -22.999 -9.956 1.00 78.85 N +ATOM 416 CA ALA A 55 2.406 -21.785 -10.609 1.00 79.89 C +ATOM 417 C ALA A 55 2.429 -21.918 -12.143 1.00 80.62 C +ATOM 418 O ALA A 55 3.440 -22.204 -12.750 1.00 76.72 O +ATOM 419 CB ALA A 55 3.230 -20.608 -10.136 1.00 76.71 C +ATOM 420 N GLY A 56 1.287 -21.642 -12.748 1.00 77.93 N +ATOM 421 CA GLY A 56 1.135 -21.653 -14.189 1.00 78.03 C +ATOM 422 C GLY A 56 1.903 -20.547 -14.915 1.00 79.42 C +ATOM 423 O GLY A 56 2.414 -19.621 -14.285 1.00 78.20 O +ATOM 424 N PRO A 57 1.941 -20.594 -16.237 1.00 81.86 N +ATOM 425 CA PRO A 57 2.698 -19.630 -17.047 1.00 81.81 C +ATOM 426 C PRO A 57 2.312 -18.168 -16.788 1.00 82.82 C +ATOM 427 O PRO A 57 3.171 -17.296 -16.782 1.00 81.76 O +ATOM 428 CB PRO A 57 2.409 -20.024 -18.514 1.00 79.67 C +ATOM 429 CG PRO A 57 2.099 -21.519 -18.419 1.00 79.64 C +ATOM 430 CD PRO A 57 1.391 -21.643 -17.064 1.00 82.31 C +ATOM 431 N GLN A 58 1.050 -17.919 -16.551 1.00 81.24 N +ATOM 432 CA GLN A 58 0.535 -16.588 -16.278 1.00 81.68 C +ATOM 433 C GLN A 58 1.094 -16.013 -14.964 1.00 82.07 C +ATOM 434 O GLN A 58 1.555 -14.863 -14.916 1.00 79.49 O +ATOM 435 CB GLN A 58 -0.985 -16.692 -16.263 1.00 79.11 C +ATOM 436 CG GLN A 58 -1.672 -15.354 -16.491 1.00 74.53 C +ATOM 437 CD GLN A 58 -3.185 -15.541 -16.532 1.00 70.04 C +ATOM 438 OE1 GLN A 58 -3.717 -16.463 -15.956 1.00 59.54 O +ATOM 439 NE2 GLN A 58 -3.895 -14.684 -17.195 1.00 57.87 N +ATOM 440 N HIS A 59 1.165 -16.816 -13.933 1.00 82.71 N +ATOM 441 CA HIS A 59 1.771 -16.442 -12.662 1.00 83.45 C +ATOM 442 C HIS A 59 3.279 -16.236 -12.788 1.00 84.16 C +ATOM 443 O HIS A 59 3.814 -15.313 -12.169 1.00 82.49 O +ATOM 444 CB HIS A 59 1.460 -17.471 -11.598 1.00 81.64 C +ATOM 445 CG HIS A 59 0.019 -17.491 -11.185 1.00 81.54 C +ATOM 446 ND1 HIS A 59 -0.735 -16.392 -10.828 1.00 70.72 N1+ +ATOM 447 CD2 HIS A 59 -0.789 -18.586 -11.100 1.00 71.43 C +ATOM 448 CE1 HIS A 59 -1.979 -16.820 -10.526 1.00 70.58 C +ATOM 449 NE2 HIS A 59 -2.048 -18.152 -10.682 1.00 72.24 N +ATOM 450 N ARG A 60 3.938 -17.001 -13.610 1.00 82.00 N +ATOM 451 CA ARG A 60 5.374 -16.824 -13.890 1.00 82.57 C +ATOM 452 C ARG A 60 5.656 -15.524 -14.618 1.00 83.20 C +ATOM 453 O ARG A 60 6.655 -14.878 -14.309 1.00 83.32 O +ATOM 454 CB ARG A 60 5.897 -18.004 -14.706 1.00 81.91 C +ATOM 455 CG ARG A 60 5.891 -19.303 -13.901 1.00 79.26 C +ATOM 456 CD ARG A 60 6.370 -20.485 -14.755 1.00 80.07 C +ATOM 457 NE ARG A 60 6.355 -21.744 -13.993 1.00 76.03 N +ATOM 458 CZ ARG A 60 7.300 -22.173 -13.166 1.00 71.27 C +ATOM 459 NH1 ARG A 60 8.424 -21.524 -12.998 1.00 66.94 N +ATOM 460 NH2 ARG A 60 7.127 -23.261 -12.498 1.00 68.43 N1+ +ATOM 461 N SER A 61 4.806 -15.138 -15.519 1.00 81.98 N +ATOM 462 CA SER A 61 4.903 -13.835 -16.198 1.00 81.57 C +ATOM 463 C SER A 61 4.690 -12.693 -15.225 1.00 82.32 C +ATOM 464 O SER A 61 5.510 -11.789 -15.145 1.00 79.33 O +ATOM 465 CB SER A 61 3.923 -13.777 -17.363 1.00 78.69 C +ATOM 466 OG SER A 61 4.131 -12.591 -18.101 1.00 70.74 O +ATOM 467 N GLY A 62 3.648 -12.761 -14.414 1.00 84.23 N +ATOM 468 CA GLY A 62 3.387 -11.782 -13.365 1.00 84.59 C +ATOM 469 C GLY A 62 4.511 -11.682 -12.345 1.00 85.93 C +ATOM 470 O GLY A 62 4.882 -10.588 -11.944 1.00 83.96 O +ATOM 471 N TRP A 63 5.117 -12.800 -12.017 1.00 88.36 N +ATOM 472 CA TRP A 63 6.261 -12.860 -11.102 1.00 89.54 C +ATOM 473 C TRP A 63 7.494 -12.146 -11.645 1.00 90.62 C +ATOM 474 O TRP A 63 8.130 -11.367 -10.932 1.00 90.82 O +ATOM 475 CB TRP A 63 6.583 -14.330 -10.826 1.00 89.08 C +ATOM 476 CG TRP A 63 7.751 -14.551 -9.931 1.00 89.71 C +ATOM 477 CD1 TRP A 63 8.819 -15.327 -10.190 1.00 86.98 C +ATOM 478 CD2 TRP A 63 7.969 -13.968 -8.611 1.00 88.23 C +ATOM 479 NE1 TRP A 63 9.694 -15.285 -9.100 1.00 85.25 N +ATOM 480 CE2 TRP A 63 9.202 -14.458 -8.123 1.00 86.76 C +ATOM 481 CE3 TRP A 63 7.238 -13.092 -7.804 1.00 85.90 C +ATOM 482 CZ2 TRP A 63 9.693 -14.085 -6.840 1.00 83.41 C +ATOM 483 CZ3 TRP A 63 7.730 -12.708 -6.544 1.00 78.18 C +ATOM 484 CH2 TRP A 63 8.947 -13.198 -6.072 1.00 78.51 C +ATOM 485 N LYS A 64 7.832 -12.352 -12.901 1.00 88.03 N +ATOM 486 CA LYS A 64 8.920 -11.615 -13.564 1.00 88.14 C +ATOM 487 C LYS A 64 8.655 -10.118 -13.554 1.00 88.83 C +ATOM 488 O LYS A 64 9.547 -9.347 -13.215 1.00 87.02 O +ATOM 489 CB LYS A 64 9.145 -12.090 -14.993 1.00 85.78 C +ATOM 490 CG LYS A 64 9.914 -13.408 -15.026 1.00 76.41 C +ATOM 491 CD LYS A 64 10.225 -13.793 -16.490 1.00 71.74 C +ATOM 492 CE LYS A 64 11.082 -15.049 -16.559 1.00 63.46 C +ATOM 493 NZ LYS A 64 11.443 -15.391 -17.944 1.00 55.72 N1+ +ATOM 494 N GLN A 65 7.440 -9.703 -13.840 1.00 89.65 N +ATOM 495 CA GLN A 65 7.064 -8.292 -13.795 1.00 90.16 C +ATOM 496 C GLN A 65 7.209 -7.704 -12.403 1.00 91.13 C +ATOM 497 O GLN A 65 7.709 -6.601 -12.279 1.00 90.64 O +ATOM 498 CB GLN A 65 5.631 -8.103 -14.295 1.00 88.58 C +ATOM 499 CG GLN A 65 5.494 -8.347 -15.796 1.00 81.13 C +ATOM 500 CD GLN A 65 4.064 -8.170 -16.315 1.00 78.60 C +ATOM 501 OE1 GLN A 65 3.099 -8.103 -15.572 1.00 68.52 O +ATOM 502 NE2 GLN A 65 3.900 -8.095 -17.599 1.00 67.75 N +ATOM 503 N GLU A 66 6.820 -8.418 -11.364 1.00 90.76 N +ATOM 504 CA GLU A 66 7.012 -7.967 -9.975 1.00 91.25 C +ATOM 505 C GLU A 66 8.488 -7.724 -9.657 1.00 91.71 C +ATOM 506 O GLU A 66 8.837 -6.685 -9.106 1.00 90.18 O +ATOM 507 CB GLU A 66 6.401 -8.991 -9.008 1.00 89.39 C +ATOM 508 CG GLU A 66 6.567 -8.564 -7.546 1.00 82.92 C +ATOM 509 CD GLU A 66 5.903 -9.498 -6.513 1.00 82.56 C +ATOM 510 OE1 GLU A 66 6.028 -9.228 -5.319 1.00 68.16 O +ATOM 511 OE2 GLU A 66 5.243 -10.489 -6.892 1.00 65.93 O +ATOM 512 N ILE A 67 9.342 -8.644 -10.055 1.00 93.80 N +ATOM 513 CA ILE A 67 10.788 -8.514 -9.860 1.00 94.06 C +ATOM 514 C ILE A 67 11.337 -7.330 -10.649 1.00 94.04 C +ATOM 515 O ILE A 67 12.090 -6.531 -10.089 1.00 93.72 O +ATOM 516 CB ILE A 67 11.509 -9.823 -10.262 1.00 94.02 C +ATOM 517 CG1 ILE A 67 11.148 -10.954 -9.291 1.00 93.39 C +ATOM 518 CG2 ILE A 67 13.028 -9.614 -10.272 1.00 93.35 C +ATOM 519 CD1 ILE A 67 11.628 -12.340 -9.724 1.00 91.22 C +ATOM 520 N ASP A 68 10.947 -7.189 -11.898 1.00 93.87 N +ATOM 521 CA ASP A 68 11.421 -6.115 -12.757 1.00 93.77 C +ATOM 522 C ASP A 68 10.978 -4.743 -12.241 1.00 94.03 C +ATOM 523 O ASP A 68 11.812 -3.828 -12.199 1.00 93.11 O +ATOM 524 CB ASP A 68 10.946 -6.339 -14.200 1.00 93.00 C +ATOM 525 CG ASP A 68 11.652 -7.506 -14.904 1.00 90.20 C +ATOM 526 OD1 ASP A 68 12.795 -7.845 -14.514 1.00 85.44 O +ATOM 527 OD2 ASP A 68 11.069 -8.016 -15.899 1.00 83.29 O +ATOM 528 N ILE A 69 9.748 -4.619 -11.778 1.00 94.53 N +ATOM 529 CA ILE A 69 9.265 -3.388 -11.158 1.00 94.62 C +ATOM 530 C ILE A 69 10.096 -3.082 -9.922 1.00 94.72 C +ATOM 531 O ILE A 69 10.740 -2.032 -9.865 1.00 94.47 O +ATOM 532 CB ILE A 69 7.755 -3.480 -10.849 1.00 94.67 C +ATOM 533 CG1 ILE A 69 6.955 -3.436 -12.167 1.00 94.17 C +ATOM 534 CG2 ILE A 69 7.300 -2.332 -9.925 1.00 94.29 C +ATOM 535 CD1 ILE A 69 5.483 -3.833 -12.011 1.00 92.25 C +ATOM 536 N LEU A 70 10.154 -3.982 -8.959 1.00 95.65 N +ATOM 537 CA LEU A 70 10.833 -3.721 -7.687 1.00 95.61 C +ATOM 538 C LEU A 70 12.314 -3.400 -7.871 1.00 95.63 C +ATOM 539 O LEU A 70 12.855 -2.549 -7.165 1.00 95.10 O +ATOM 540 CB LEU A 70 10.626 -4.913 -6.747 1.00 95.27 C +ATOM 541 CG LEU A 70 11.100 -4.636 -5.303 1.00 94.09 C +ATOM 542 CD1 LEU A 70 10.942 -5.885 -4.443 1.00 92.84 C +ATOM 543 CD2 LEU A 70 10.295 -3.518 -4.633 1.00 92.18 C +ATOM 544 N ARG A 71 12.958 -3.995 -8.860 1.00 95.13 N +ATOM 545 CA ARG A 71 14.351 -3.710 -9.228 1.00 94.98 C +ATOM 546 C ARG A 71 14.579 -2.250 -9.616 1.00 95.22 C +ATOM 547 O ARG A 71 15.680 -1.746 -9.404 1.00 94.34 O +ATOM 548 CB ARG A 71 14.748 -4.662 -10.356 1.00 93.82 C +ATOM 549 CG ARG A 71 16.201 -4.490 -10.783 1.00 87.35 C +ATOM 550 CD ARG A 71 16.578 -5.444 -11.932 1.00 83.86 C +ATOM 551 NE ARG A 71 16.786 -6.803 -11.423 1.00 78.97 N +ATOM 552 CZ ARG A 71 17.052 -7.887 -12.142 1.00 75.73 C +ATOM 553 NH1 ARG A 71 17.095 -7.845 -13.431 1.00 69.59 N +ATOM 554 NH2 ARG A 71 17.260 -9.022 -11.570 1.00 68.80 N1+ +ATOM 555 N THR A 72 13.576 -1.598 -10.178 1.00 94.22 N +ATOM 556 CA THR A 72 13.702 -0.202 -10.639 1.00 93.87 C +ATOM 557 C THR A 72 13.418 0.820 -9.544 1.00 94.09 C +ATOM 558 O THR A 72 13.675 2.002 -9.736 1.00 92.83 O +ATOM 559 CB THR A 72 12.795 0.089 -11.848 1.00 92.37 C +ATOM 560 OG1 THR A 72 11.429 0.055 -11.536 1.00 85.06 O +ATOM 561 CG2 THR A 72 13.040 -0.871 -13.005 1.00 83.60 C +ATOM 562 N LEU A 73 12.874 0.413 -8.410 1.00 95.21 N +ATOM 563 CA LEU A 73 12.389 1.309 -7.374 1.00 95.21 C +ATOM 564 C LEU A 73 13.445 1.559 -6.289 1.00 95.20 C +ATOM 565 O LEU A 73 13.977 0.632 -5.677 1.00 94.80 O +ATOM 566 CB LEU A 73 11.094 0.746 -6.763 1.00 95.25 C +ATOM 567 CG LEU A 73 9.937 0.562 -7.769 1.00 95.05 C +ATOM 568 CD1 LEU A 73 8.732 -0.033 -7.037 1.00 94.68 C +ATOM 569 CD2 LEU A 73 9.515 1.866 -8.428 1.00 94.40 C +ATOM 570 N TYR A 74 13.689 2.826 -6.005 1.00 95.70 N +ATOM 571 CA TYR A 74 14.606 3.277 -4.957 1.00 95.26 C +ATOM 572 C TYR A 74 14.000 4.444 -4.188 1.00 95.46 C +ATOM 573 O TYR A 74 14.120 5.598 -4.581 1.00 94.28 O +ATOM 574 CB TYR A 74 15.945 3.679 -5.565 1.00 93.82 C +ATOM 575 CG TYR A 74 16.725 2.529 -6.180 1.00 87.06 C +ATOM 576 CD1 TYR A 74 17.589 1.747 -5.388 1.00 81.18 C +ATOM 577 CD2 TYR A 74 16.562 2.225 -7.541 1.00 77.95 C +ATOM 578 CE1 TYR A 74 18.280 0.669 -5.937 1.00 72.25 C +ATOM 579 CE2 TYR A 74 17.273 1.153 -8.111 1.00 69.21 C +ATOM 580 CZ TYR A 74 18.112 0.375 -7.300 1.00 67.57 C +ATOM 581 OH TYR A 74 18.808 -0.677 -7.863 1.00 65.60 O +ATOM 582 N HIS A 75 13.361 4.129 -3.095 1.00 96.29 N +ATOM 583 CA HIS A 75 12.766 5.132 -2.220 1.00 96.22 C +ATOM 584 C HIS A 75 12.753 4.635 -0.778 1.00 96.29 C +ATOM 585 O HIS A 75 12.586 3.436 -0.536 1.00 95.97 O +ATOM 586 CB HIS A 75 11.356 5.454 -2.722 1.00 96.08 C +ATOM 587 CG HIS A 75 10.771 6.662 -2.065 1.00 95.93 C +ATOM 588 ND1 HIS A 75 9.962 6.662 -0.948 1.00 94.79 N1+ +ATOM 589 CD2 HIS A 75 10.959 7.969 -2.430 1.00 94.64 C +ATOM 590 CE1 HIS A 75 9.686 7.934 -0.641 1.00 94.28 C +ATOM 591 NE2 HIS A 75 10.282 8.759 -1.521 1.00 94.58 N +ATOM 592 N GLU A 76 12.923 5.525 0.193 1.00 96.40 N +ATOM 593 CA GLU A 76 13.013 5.148 1.607 1.00 96.20 C +ATOM 594 C GLU A 76 11.727 4.516 2.157 1.00 96.49 C +ATOM 595 O GLU A 76 11.783 3.716 3.084 1.00 96.03 O +ATOM 596 CB GLU A 76 13.453 6.357 2.434 1.00 95.26 C +ATOM 597 CG GLU A 76 12.440 7.504 2.434 1.00 89.30 C +ATOM 598 CD GLU A 76 12.922 8.727 3.216 1.00 84.81 C +ATOM 599 OE1 GLU A 76 12.635 9.861 2.777 1.00 70.97 O +ATOM 600 OE2 GLU A 76 13.579 8.521 4.267 1.00 67.60 O +ATOM 601 N HIS A 77 10.599 4.819 1.542 1.00 96.62 N +ATOM 602 CA HIS A 77 9.291 4.257 1.909 1.00 96.72 C +ATOM 603 C HIS A 77 8.823 3.120 0.991 1.00 96.87 C +ATOM 604 O HIS A 77 7.646 2.764 0.984 1.00 96.69 O +ATOM 605 CB HIS A 77 8.261 5.384 2.006 1.00 96.59 C +ATOM 606 CG HIS A 77 8.657 6.440 2.997 1.00 96.46 C +ATOM 607 ND1 HIS A 77 9.100 6.195 4.280 1.00 95.69 N1+ +ATOM 608 CD2 HIS A 77 8.708 7.778 2.787 1.00 95.45 C +ATOM 609 CE1 HIS A 77 9.418 7.376 4.834 1.00 94.95 C +ATOM 610 NE2 HIS A 77 9.182 8.359 3.947 1.00 95.17 N +ATOM 611 N ILE A 78 9.714 2.531 0.232 1.00 96.71 N +ATOM 612 CA ILE A 78 9.462 1.309 -0.544 1.00 96.66 C +ATOM 613 C ILE A 78 10.445 0.231 -0.097 1.00 96.68 C +ATOM 614 O ILE A 78 11.627 0.503 0.125 1.00 96.39 O +ATOM 615 CB ILE A 78 9.531 1.607 -2.059 1.00 96.49 C +ATOM 616 CG1 ILE A 78 8.336 2.514 -2.437 1.00 95.78 C +ATOM 617 CG2 ILE A 78 9.508 0.317 -2.898 1.00 95.54 C +ATOM 618 CD1 ILE A 78 8.302 2.945 -3.907 1.00 93.61 C +ATOM 619 N ILE A 79 9.974 -0.993 0.014 1.00 96.34 N +ATOM 620 CA ILE A 79 10.841 -2.123 0.359 1.00 96.26 C +ATOM 621 C ILE A 79 11.989 -2.238 -0.642 1.00 96.43 C +ATOM 622 O ILE A 79 11.795 -2.179 -1.855 1.00 96.01 O +ATOM 623 CB ILE A 79 10.031 -3.418 0.490 1.00 95.66 C +ATOM 624 CG1 ILE A 79 10.895 -4.497 1.150 1.00 91.59 C +ATOM 625 CG2 ILE A 79 9.457 -3.898 -0.859 1.00 90.46 C +ATOM 626 CD1 ILE A 79 10.108 -5.735 1.577 1.00 84.69 C +ATOM 627 N LYS A 80 13.191 -2.395 -0.139 1.00 95.87 N +ATOM 628 CA LYS A 80 14.386 -2.405 -0.963 1.00 95.66 C +ATOM 629 C LYS A 80 14.584 -3.758 -1.649 1.00 95.98 C +ATOM 630 O LYS A 80 14.691 -4.787 -0.983 1.00 95.56 O +ATOM 631 CB LYS A 80 15.593 -2.000 -0.109 1.00 94.72 C +ATOM 632 CG LYS A 80 16.867 -1.854 -0.927 1.00 88.59 C +ATOM 633 CD LYS A 80 18.005 -1.357 -0.049 1.00 83.90 C +ATOM 634 CE LYS A 80 19.286 -1.233 -0.893 1.00 76.51 C +ATOM 635 NZ LYS A 80 20.414 -0.688 -0.083 1.00 69.23 N1+ +ATOM 636 N TYR A 81 14.691 -3.725 -2.961 1.00 95.41 N +ATOM 637 CA TYR A 81 15.220 -4.844 -3.731 1.00 95.49 C +ATOM 638 C TYR A 81 16.687 -5.063 -3.383 1.00 95.45 C +ATOM 639 O TYR A 81 17.474 -4.117 -3.346 1.00 95.05 O +ATOM 640 CB TYR A 81 15.066 -4.540 -5.220 1.00 95.45 C +ATOM 641 CG TYR A 81 15.691 -5.578 -6.122 1.00 95.49 C +ATOM 642 CD1 TYR A 81 14.995 -6.759 -6.425 1.00 95.06 C +ATOM 643 CD2 TYR A 81 16.972 -5.369 -6.668 1.00 95.10 C +ATOM 644 CE1 TYR A 81 15.561 -7.717 -7.283 1.00 94.59 C +ATOM 645 CE2 TYR A 81 17.551 -6.318 -7.522 1.00 94.57 C +ATOM 646 CZ TYR A 81 16.841 -7.485 -7.837 1.00 94.70 C +ATOM 647 OH TYR A 81 17.393 -8.413 -8.697 1.00 93.93 O +ATOM 648 N LYS A 82 17.082 -6.294 -3.145 1.00 95.49 N +ATOM 649 CA LYS A 82 18.468 -6.678 -2.923 1.00 95.14 C +ATOM 650 C LYS A 82 19.045 -7.507 -4.054 1.00 95.24 C +ATOM 651 O LYS A 82 20.217 -7.369 -4.374 1.00 94.27 O +ATOM 652 CB LYS A 82 18.609 -7.421 -1.598 1.00 94.13 C +ATOM 653 CG LYS A 82 18.427 -6.456 -0.428 1.00 89.53 C +ATOM 654 CD LYS A 82 18.954 -7.068 0.847 1.00 86.62 C +ATOM 655 CE LYS A 82 19.089 -5.984 1.900 1.00 82.00 C +ATOM 656 NZ LYS A 82 20.268 -6.218 2.757 1.00 76.89 N1+ +ATOM 657 N GLY A 83 18.221 -8.339 -4.650 1.00 94.97 N +ATOM 658 CA GLY A 83 18.672 -9.191 -5.744 1.00 94.80 C +ATOM 659 C GLY A 83 17.751 -10.370 -5.993 1.00 95.03 C +ATOM 660 O GLY A 83 16.610 -10.422 -5.527 1.00 94.55 O +ATOM 661 N CYS A 84 18.251 -11.340 -6.703 1.00 93.01 N +ATOM 662 CA CYS A 84 17.582 -12.602 -6.980 1.00 92.92 C +ATOM 663 C CYS A 84 18.466 -13.797 -6.616 1.00 92.87 C +ATOM 664 O CYS A 84 19.702 -13.721 -6.659 1.00 91.67 O +ATOM 665 CB CYS A 84 17.175 -12.647 -8.449 1.00 92.11 C +ATOM 666 SG CYS A 84 15.803 -11.492 -8.753 1.00 89.49 S +ATOM 667 N CYS A 85 17.830 -14.880 -6.304 1.00 91.36 N +ATOM 668 CA CYS A 85 18.478 -16.177 -6.165 1.00 91.12 C +ATOM 669 C CYS A 85 17.872 -17.146 -7.173 1.00 90.89 C +ATOM 670 O CYS A 85 16.658 -17.192 -7.340 1.00 89.17 O +ATOM 671 CB CYS A 85 18.299 -16.657 -4.731 1.00 89.71 C +ATOM 672 SG CYS A 85 19.080 -18.235 -4.466 1.00 85.86 S +ATOM 673 N GLU A 86 18.702 -17.941 -7.827 1.00 88.24 N +ATOM 674 CA GLU A 86 18.196 -19.014 -8.662 1.00 86.93 C +ATOM 675 C GLU A 86 17.471 -20.067 -7.813 1.00 87.04 C +ATOM 676 O GLU A 86 17.988 -20.549 -6.820 1.00 83.97 O +ATOM 677 CB GLU A 86 19.346 -19.691 -9.442 1.00 83.98 C +ATOM 678 CG GLU A 86 19.910 -18.804 -10.531 1.00 77.66 C +ATOM 679 CD GLU A 86 20.913 -19.527 -11.434 1.00 76.38 C +ATOM 680 OE1 GLU A 86 21.269 -18.949 -12.495 1.00 65.30 O +ATOM 681 OE2 GLU A 86 21.332 -20.656 -11.115 1.00 64.44 O +ATOM 682 N ASP A 87 16.294 -20.425 -8.262 1.00 85.34 N +ATOM 683 CA ASP A 87 15.513 -21.489 -7.644 1.00 85.00 C +ATOM 684 C ASP A 87 15.253 -22.590 -8.673 1.00 85.03 C +ATOM 685 O ASP A 87 14.237 -22.625 -9.357 1.00 82.10 O +ATOM 686 CB ASP A 87 14.227 -20.928 -7.047 1.00 82.74 C +ATOM 687 CG ASP A 87 13.467 -21.983 -6.237 1.00 82.78 C +ATOM 688 OD1 ASP A 87 13.885 -23.153 -6.206 1.00 77.43 O +ATOM 689 OD2 ASP A 87 12.447 -21.615 -5.616 1.00 77.69 O +ATOM 690 N ALA A 88 16.182 -23.495 -8.754 1.00 85.56 N +ATOM 691 CA ALA A 88 16.093 -24.656 -9.642 1.00 85.04 C +ATOM 692 C ALA A 88 14.893 -25.552 -9.315 1.00 85.21 C +ATOM 693 O ALA A 88 14.303 -26.136 -10.220 1.00 81.57 O +ATOM 694 CB ALA A 88 17.403 -25.419 -9.546 1.00 82.98 C +ATOM 695 N GLY A 89 14.486 -25.614 -8.050 1.00 83.31 N +ATOM 696 CA GLY A 89 13.352 -26.426 -7.630 1.00 82.71 C +ATOM 697 C GLY A 89 12.031 -25.940 -8.192 1.00 83.68 C +ATOM 698 O GLY A 89 11.191 -26.769 -8.549 1.00 80.63 O +ATOM 699 N ALA A 90 11.862 -24.644 -8.313 1.00 82.03 N +ATOM 700 CA ALA A 90 10.660 -24.040 -8.910 1.00 82.12 C +ATOM 701 C ALA A 90 10.836 -23.633 -10.387 1.00 83.17 C +ATOM 702 O ALA A 90 9.899 -23.077 -10.973 1.00 79.17 O +ATOM 703 CB ALA A 90 10.219 -22.859 -8.027 1.00 78.95 C +ATOM 704 N ALA A 91 11.969 -23.836 -10.966 1.00 82.63 N +ATOM 705 CA ALA A 91 12.337 -23.373 -12.305 1.00 83.07 C +ATOM 706 C ALA A 91 12.083 -21.869 -12.502 1.00 84.72 C +ATOM 707 O ALA A 91 11.571 -21.423 -13.517 1.00 82.36 O +ATOM 708 CB ALA A 91 11.683 -24.249 -13.371 1.00 80.26 C +ATOM 709 N SER A 92 12.417 -21.078 -11.472 1.00 85.67 N +ATOM 710 CA SER A 92 12.182 -19.649 -11.410 1.00 86.13 C +ATOM 711 C SER A 92 13.244 -18.962 -10.556 1.00 87.33 C +ATOM 712 O SER A 92 14.116 -19.606 -9.989 1.00 86.07 O +ATOM 713 CB SER A 92 10.769 -19.376 -10.869 1.00 83.51 C +ATOM 714 OG SER A 92 10.643 -19.761 -9.513 1.00 76.51 O +ATOM 715 N LEU A 93 13.153 -17.639 -10.457 1.00 89.53 N +ATOM 716 CA LEU A 93 13.961 -16.860 -9.528 1.00 90.40 C +ATOM 717 C LEU A 93 13.205 -16.636 -8.221 1.00 91.01 C +ATOM 718 O LEU A 93 11.994 -16.403 -8.211 1.00 89.86 O +ATOM 719 CB LEU A 93 14.356 -15.527 -10.177 1.00 88.81 C +ATOM 720 CG LEU A 93 15.223 -15.674 -11.446 1.00 83.56 C +ATOM 721 CD1 LEU A 93 15.499 -14.281 -12.022 1.00 80.07 C +ATOM 722 CD2 LEU A 93 16.564 -16.330 -11.142 1.00 78.82 C +ATOM 723 N GLN A 94 13.937 -16.623 -7.141 1.00 92.71 N +ATOM 724 CA GLN A 94 13.472 -16.090 -5.862 1.00 92.80 C +ATOM 725 C GLN A 94 13.864 -14.624 -5.762 1.00 93.20 C +ATOM 726 O GLN A 94 14.997 -14.255 -6.062 1.00 92.61 O +ATOM 727 CB GLN A 94 14.091 -16.898 -4.709 1.00 92.25 C +ATOM 728 CG GLN A 94 13.660 -18.353 -4.747 1.00 90.41 C +ATOM 729 CD GLN A 94 14.258 -19.156 -3.583 1.00 89.42 C +ATOM 730 OE1 GLN A 94 15.451 -19.223 -3.390 1.00 83.78 O +ATOM 731 NE2 GLN A 94 13.430 -19.789 -2.795 1.00 81.20 N +ATOM 732 N LEU A 95 12.952 -13.794 -5.326 1.00 94.16 N +ATOM 733 CA LEU A 95 13.173 -12.375 -5.081 1.00 94.34 C +ATOM 734 C LEU A 95 13.726 -12.184 -3.672 1.00 94.47 C +ATOM 735 O LEU A 95 13.075 -12.566 -2.702 1.00 94.17 O +ATOM 736 CB LEU A 95 11.845 -11.641 -5.295 1.00 94.13 C +ATOM 737 CG LEU A 95 11.829 -10.168 -4.865 1.00 93.23 C +ATOM 738 CD1 LEU A 95 10.436 -9.586 -5.104 1.00 92.21 C +ATOM 739 CD2 LEU A 95 12.836 -9.328 -5.649 1.00 91.89 C +ATOM 740 N VAL A 96 14.883 -11.572 -3.563 1.00 95.64 N +ATOM 741 CA VAL A 96 15.515 -11.232 -2.288 1.00 95.70 C +ATOM 742 C VAL A 96 15.320 -9.743 -2.011 1.00 95.69 C +ATOM 743 O VAL A 96 15.692 -8.889 -2.814 1.00 95.35 O +ATOM 744 CB VAL A 96 16.990 -11.616 -2.263 1.00 95.60 C +ATOM 745 CG1 VAL A 96 17.219 -13.075 -2.673 1.00 95.08 C +ATOM 746 CG2 VAL A 96 17.576 -11.414 -0.873 1.00 94.99 C +ATOM 747 N MET A 97 14.735 -9.425 -0.882 1.00 95.85 N +ATOM 748 CA MET A 97 14.413 -8.085 -0.418 1.00 95.73 C +ATOM 749 C MET A 97 15.021 -7.846 0.963 1.00 95.85 C +ATOM 750 O MET A 97 15.370 -8.801 1.672 1.00 95.44 O +ATOM 751 CB MET A 97 12.887 -7.920 -0.330 1.00 95.08 C +ATOM 752 CG MET A 97 12.162 -8.239 -1.637 1.00 91.57 C +ATOM 753 SD MET A 97 10.352 -8.262 -1.506 1.00 89.31 S +ATOM 754 CE MET A 97 10.109 -9.754 -0.541 1.00 78.86 C +ATOM 755 N GLU A 98 15.094 -6.592 1.381 1.00 95.49 N +ATOM 756 CA GLU A 98 15.416 -6.296 2.775 1.00 95.23 C +ATOM 757 C GLU A 98 14.376 -6.927 3.706 1.00 95.32 C +ATOM 758 O GLU A 98 13.189 -6.996 3.399 1.00 94.69 O +ATOM 759 CB GLU A 98 15.552 -4.782 3.004 1.00 94.51 C +ATOM 760 CG GLU A 98 14.211 -4.029 2.964 1.00 91.77 C +ATOM 761 CD GLU A 98 14.365 -2.515 3.153 1.00 90.53 C +ATOM 762 OE1 GLU A 98 13.710 -1.750 2.437 1.00 77.86 O +ATOM 763 OE2 GLU A 98 15.162 -2.086 4.019 1.00 75.81 O +ATOM 764 N TYR A 99 14.840 -7.385 4.841 1.00 95.52 N +ATOM 765 CA TYR A 99 13.974 -7.833 5.912 1.00 95.61 C +ATOM 766 C TYR A 99 13.549 -6.632 6.755 1.00 95.60 C +ATOM 767 O TYR A 99 14.389 -5.942 7.306 1.00 95.23 O +ATOM 768 CB TYR A 99 14.704 -8.876 6.743 1.00 95.53 C +ATOM 769 CG TYR A 99 13.970 -9.259 8.011 1.00 95.66 C +ATOM 770 CD1 TYR A 99 12.703 -9.859 7.935 1.00 95.26 C +ATOM 771 CD2 TYR A 99 14.531 -8.984 9.262 1.00 95.04 C +ATOM 772 CE1 TYR A 99 12.020 -10.215 9.115 1.00 94.53 C +ATOM 773 CE2 TYR A 99 13.855 -9.331 10.443 1.00 94.60 C +ATOM 774 CZ TYR A 99 12.610 -9.949 10.366 1.00 94.65 C +ATOM 775 OH TYR A 99 11.939 -10.309 11.517 1.00 94.08 O +ATOM 776 N VAL A 100 12.262 -6.419 6.875 1.00 95.66 N +ATOM 777 CA VAL A 100 11.693 -5.338 7.676 1.00 95.56 C +ATOM 778 C VAL A 100 11.215 -5.906 9.012 1.00 95.61 C +ATOM 779 O VAL A 100 10.299 -6.727 9.036 1.00 95.32 O +ATOM 780 CB VAL A 100 10.590 -4.604 6.914 1.00 95.29 C +ATOM 781 CG1 VAL A 100 11.070 -4.137 5.532 1.00 94.54 C +ATOM 782 CG2 VAL A 100 10.143 -3.360 7.673 1.00 94.44 C +ATOM 783 N PRO A 101 11.835 -5.529 10.137 1.00 95.66 N +ATOM 784 CA PRO A 101 11.790 -6.344 11.351 1.00 95.43 C +ATOM 785 C PRO A 101 10.481 -6.308 12.135 1.00 95.52 C +ATOM 786 O PRO A 101 10.195 -7.265 12.859 1.00 94.90 O +ATOM 787 CB PRO A 101 12.961 -5.859 12.206 1.00 94.78 C +ATOM 788 CG PRO A 101 13.194 -4.425 11.745 1.00 93.39 C +ATOM 789 CD PRO A 101 12.870 -4.509 10.264 1.00 94.24 C +ATOM 790 N LEU A 102 9.680 -5.266 12.005 1.00 96.03 N +ATOM 791 CA LEU A 102 8.435 -5.128 12.780 1.00 95.99 C +ATOM 792 C LEU A 102 7.193 -5.682 12.069 1.00 96.07 C +ATOM 793 O LEU A 102 6.127 -5.746 12.674 1.00 95.56 O +ATOM 794 CB LEU A 102 8.266 -3.669 13.228 1.00 95.74 C +ATOM 795 CG LEU A 102 9.416 -3.098 14.087 1.00 95.14 C +ATOM 796 CD1 LEU A 102 9.080 -1.674 14.524 1.00 94.53 C +ATOM 797 CD2 LEU A 102 9.667 -3.933 15.335 1.00 94.17 C +ATOM 798 N GLY A 103 7.318 -6.144 10.841 1.00 95.48 N +ATOM 799 CA GLY A 103 6.220 -6.746 10.070 1.00 95.30 C +ATOM 800 C GLY A 103 5.203 -5.740 9.546 1.00 95.58 C +ATOM 801 O GLY A 103 5.472 -4.555 9.480 1.00 95.13 O +ATOM 802 N SER A 104 4.048 -6.214 9.139 1.00 95.43 N +ATOM 803 CA SER A 104 3.010 -5.357 8.554 1.00 95.37 C +ATOM 804 C SER A 104 2.312 -4.492 9.598 1.00 95.60 C +ATOM 805 O SER A 104 2.099 -4.916 10.738 1.00 95.27 O +ATOM 806 CB SER A 104 1.991 -6.197 7.780 1.00 94.76 C +ATOM 807 OG SER A 104 1.173 -6.949 8.659 1.00 92.52 O +ATOM 808 N LEU A 105 1.856 -3.324 9.183 1.00 95.86 N +ATOM 809 CA LEU A 105 1.028 -2.467 10.038 1.00 95.80 C +ATOM 810 C LEU A 105 -0.233 -3.182 10.506 1.00 95.85 C +ATOM 811 O LEU A 105 -0.619 -3.023 11.658 1.00 95.61 O +ATOM 812 CB LEU A 105 0.661 -1.177 9.296 1.00 95.64 C +ATOM 813 CG LEU A 105 1.819 -0.177 9.123 1.00 95.02 C +ATOM 814 CD1 LEU A 105 1.313 1.055 8.364 1.00 94.52 C +ATOM 815 CD2 LEU A 105 2.368 0.308 10.463 1.00 94.11 C +ATOM 816 N ARG A 106 -0.822 -4.022 9.677 1.00 95.95 N +ATOM 817 CA ARG A 106 -2.006 -4.817 10.043 1.00 95.77 C +ATOM 818 C ARG A 106 -1.754 -5.712 11.248 1.00 95.86 C +ATOM 819 O ARG A 106 -2.654 -5.875 12.060 1.00 95.44 O +ATOM 820 CB ARG A 106 -2.447 -5.670 8.842 1.00 95.20 C +ATOM 821 CG ARG A 106 -3.780 -6.391 9.127 1.00 91.72 C +ATOM 822 CD ARG A 106 -4.123 -7.398 8.034 1.00 89.06 C +ATOM 823 NE ARG A 106 -3.174 -8.515 8.030 1.00 83.00 N +ATOM 824 CZ ARG A 106 -3.118 -9.485 7.134 1.00 81.71 C +ATOM 825 NH1 ARG A 106 -3.980 -9.581 6.168 1.00 77.60 N +ATOM 826 NH2 ARG A 106 -2.174 -10.383 7.212 1.00 78.26 N1+ +ATOM 827 N ASP A 107 -0.577 -6.287 11.349 1.00 95.21 N +ATOM 828 CA ASP A 107 -0.241 -7.206 12.436 1.00 95.09 C +ATOM 829 C ASP A 107 0.377 -6.481 13.638 1.00 95.25 C +ATOM 830 O ASP A 107 0.303 -6.971 14.766 1.00 94.78 O +ATOM 831 CB ASP A 107 0.700 -8.295 11.908 1.00 94.51 C +ATOM 832 CG ASP A 107 0.081 -9.141 10.788 1.00 92.46 C +ATOM 833 OD1 ASP A 107 -1.149 -9.363 10.791 1.00 87.96 O +ATOM 834 OD2 ASP A 107 0.853 -9.564 9.896 1.00 85.01 O +ATOM 835 N TYR A 108 0.957 -5.320 13.399 1.00 96.01 N +ATOM 836 CA TYR A 108 1.609 -4.523 14.424 1.00 95.97 C +ATOM 837 C TYR A 108 0.629 -3.675 15.231 1.00 96.00 C +ATOM 838 O TYR A 108 0.656 -3.718 16.467 1.00 95.70 O +ATOM 839 CB TYR A 108 2.678 -3.648 13.759 1.00 95.81 C +ATOM 840 CG TYR A 108 3.545 -2.886 14.751 1.00 95.56 C +ATOM 841 CD1 TYR A 108 4.719 -3.470 15.248 1.00 95.06 C +ATOM 842 CD2 TYR A 108 3.161 -1.605 15.200 1.00 94.85 C +ATOM 843 CE1 TYR A 108 5.507 -2.789 16.182 1.00 94.23 C +ATOM 844 CE2 TYR A 108 3.935 -0.916 16.141 1.00 94.30 C +ATOM 845 CZ TYR A 108 5.116 -1.507 16.625 1.00 94.18 C +ATOM 846 OH TYR A 108 5.891 -0.836 17.542 1.00 93.65 O +ATOM 847 N LEU A 109 -0.231 -2.927 14.568 1.00 95.44 N +ATOM 848 CA LEU A 109 -1.095 -1.915 15.209 1.00 95.38 C +ATOM 849 C LEU A 109 -2.059 -2.481 16.252 1.00 95.31 C +ATOM 850 O LEU A 109 -2.174 -1.855 17.308 1.00 94.98 O +ATOM 851 CB LEU A 109 -1.846 -1.109 14.147 1.00 95.29 C +ATOM 852 CG LEU A 109 -0.968 -0.187 13.282 1.00 94.95 C +ATOM 853 CD1 LEU A 109 -1.850 0.520 12.251 1.00 94.55 C +ATOM 854 CD2 LEU A 109 -0.265 0.873 14.113 1.00 94.23 C +ATOM 855 N PRO A 110 -2.664 -3.657 16.086 1.00 94.88 N +ATOM 856 CA PRO A 110 -3.525 -4.238 17.123 1.00 94.70 C +ATOM 857 C PRO A 110 -2.791 -4.597 18.426 1.00 94.70 C +ATOM 858 O PRO A 110 -3.432 -4.821 19.442 1.00 94.07 O +ATOM 859 CB PRO A 110 -4.133 -5.497 16.502 1.00 94.23 C +ATOM 860 CG PRO A 110 -4.064 -5.224 15.002 1.00 93.49 C +ATOM 861 CD PRO A 110 -2.762 -4.450 14.872 1.00 94.19 C +ATOM 862 N ARG A 111 -1.483 -4.669 18.395 1.00 94.20 N +ATOM 863 CA ARG A 111 -0.643 -5.106 19.540 1.00 93.80 C +ATOM 864 C ARG A 111 0.128 -3.968 20.194 1.00 93.86 C +ATOM 865 O ARG A 111 0.776 -4.202 21.219 1.00 92.40 O +ATOM 866 CB ARG A 111 0.326 -6.185 19.044 1.00 92.35 C +ATOM 867 CG ARG A 111 -0.373 -7.390 18.419 1.00 83.53 C +ATOM 868 CD ARG A 111 0.663 -8.400 17.921 1.00 79.64 C +ATOM 869 NE ARG A 111 0.013 -9.467 17.126 1.00 73.15 N +ATOM 870 CZ ARG A 111 0.627 -10.456 16.509 1.00 68.05 C +ATOM 871 NH1 ARG A 111 1.919 -10.604 16.585 1.00 59.59 N +ATOM 872 NH2 ARG A 111 -0.051 -11.299 15.805 1.00 57.19 N1+ +ATOM 873 N HIS A 112 0.074 -2.760 19.610 1.00 93.79 N +ATOM 874 CA HIS A 112 0.865 -1.624 20.073 1.00 93.82 C +ATOM 875 C HIS A 112 0.003 -0.369 20.116 1.00 93.91 C +ATOM 876 O HIS A 112 -0.682 -0.018 19.160 1.00 92.95 O +ATOM 877 CB HIS A 112 2.059 -1.431 19.134 1.00 93.40 C +ATOM 878 CG HIS A 112 3.000 -2.597 19.096 1.00 92.71 C +ATOM 879 ND1 HIS A 112 2.850 -3.737 18.316 1.00 88.91 N1+ +ATOM 880 CD2 HIS A 112 4.144 -2.782 19.825 1.00 88.07 C +ATOM 881 CE1 HIS A 112 3.863 -4.572 18.568 1.00 87.97 C +ATOM 882 NE2 HIS A 112 4.668 -4.030 19.497 1.00 88.98 N +ATOM 883 N SER A 113 0.068 0.342 21.238 1.00 92.59 N +ATOM 884 CA SER A 113 -0.679 1.595 21.430 1.00 92.45 C +ATOM 885 C SER A 113 0.030 2.739 20.712 1.00 93.04 C +ATOM 886 O SER A 113 0.792 3.500 21.339 1.00 91.21 O +ATOM 887 CB SER A 113 -0.847 1.881 22.899 1.00 89.86 C +ATOM 888 OG SER A 113 -1.582 0.845 23.525 1.00 77.62 O +ATOM 889 N ILE A 114 -0.205 2.885 19.436 1.00 93.92 N +ATOM 890 CA ILE A 114 0.346 3.964 18.619 1.00 94.00 C +ATOM 891 C ILE A 114 -0.590 5.171 18.668 1.00 94.32 C +ATOM 892 O ILE A 114 -1.793 5.061 18.437 1.00 93.26 O +ATOM 893 CB ILE A 114 0.611 3.489 17.187 1.00 92.62 C +ATOM 894 CG1 ILE A 114 1.503 2.224 17.134 1.00 85.33 C +ATOM 895 CG2 ILE A 114 1.236 4.595 16.337 1.00 81.43 C +ATOM 896 CD1 ILE A 114 2.860 2.360 17.818 1.00 74.38 C +ATOM 897 N GLY A 115 -0.034 6.337 18.988 1.00 95.16 N +ATOM 898 CA GLY A 115 -0.780 7.587 19.040 1.00 95.08 C +ATOM 899 C GLY A 115 -1.127 8.139 17.657 1.00 95.48 C +ATOM 900 O GLY A 115 -0.478 7.826 16.670 1.00 95.08 O +ATOM 901 N LEU A 116 -2.092 9.026 17.614 1.00 95.38 N +ATOM 902 CA LEU A 116 -2.583 9.643 16.381 1.00 95.47 C +ATOM 903 C LEU A 116 -1.470 10.314 15.564 1.00 95.71 C +ATOM 904 O LEU A 116 -1.401 10.091 14.354 1.00 95.63 O +ATOM 905 CB LEU A 116 -3.678 10.638 16.754 1.00 95.27 C +ATOM 906 CG LEU A 116 -4.243 11.455 15.569 1.00 94.67 C +ATOM 907 CD1 LEU A 116 -5.283 12.434 16.082 1.00 94.05 C +ATOM 908 CD2 LEU A 116 -4.908 10.555 14.522 1.00 93.53 C +ATOM 909 N ALA A 117 -0.588 11.060 16.195 1.00 95.83 N +ATOM 910 CA ALA A 117 0.512 11.705 15.501 1.00 95.84 C +ATOM 911 C ALA A 117 1.388 10.697 14.752 1.00 96.06 C +ATOM 912 O ALA A 117 1.760 10.926 13.601 1.00 95.76 O +ATOM 913 CB ALA A 117 1.330 12.514 16.535 1.00 95.31 C +ATOM 914 N GLN A 118 1.656 9.565 15.347 1.00 96.26 N +ATOM 915 CA GLN A 118 2.463 8.513 14.731 1.00 96.13 C +ATOM 916 C GLN A 118 1.749 7.850 13.553 1.00 96.30 C +ATOM 917 O GLN A 118 2.375 7.579 12.537 1.00 96.05 O +ATOM 918 CB GLN A 118 2.835 7.495 15.815 1.00 95.60 C +ATOM 919 CG GLN A 118 3.985 6.573 15.379 1.00 92.58 C +ATOM 920 CD GLN A 118 5.323 7.303 15.241 1.00 91.08 C +ATOM 921 OE1 GLN A 118 5.533 8.371 15.772 1.00 81.43 O +ATOM 922 NE2 GLN A 118 6.235 6.755 14.502 1.00 78.71 N +ATOM 923 N LEU A 119 0.459 7.614 13.664 1.00 96.30 N +ATOM 924 CA LEU A 119 -0.345 7.091 12.560 1.00 96.39 C +ATOM 925 C LEU A 119 -0.380 8.054 11.368 1.00 96.50 C +ATOM 926 O LEU A 119 -0.277 7.628 10.220 1.00 96.31 O +ATOM 927 CB LEU A 119 -1.778 6.819 13.038 1.00 96.33 C +ATOM 928 CG LEU A 119 -1.914 5.749 14.143 1.00 95.96 C +ATOM 929 CD1 LEU A 119 -3.356 5.685 14.605 1.00 95.52 C +ATOM 930 CD2 LEU A 119 -1.492 4.361 13.649 1.00 95.39 C +ATOM 931 N LEU A 120 -0.466 9.356 11.648 1.00 96.29 N +ATOM 932 CA LEU A 120 -0.425 10.381 10.613 1.00 96.34 C +ATOM 933 C LEU A 120 0.952 10.488 9.960 1.00 96.36 C +ATOM 934 O LEU A 120 1.025 10.716 8.755 1.00 96.14 O +ATOM 935 CB LEU A 120 -0.847 11.718 11.223 1.00 96.28 C +ATOM 936 CG LEU A 120 -2.322 11.769 11.670 1.00 95.97 C +ATOM 937 CD1 LEU A 120 -2.550 13.049 12.460 1.00 95.64 C +ATOM 938 CD2 LEU A 120 -3.288 11.753 10.491 1.00 95.42 C +ATOM 939 N LEU A 121 2.018 10.278 10.711 1.00 96.44 N +ATOM 940 CA LEU A 121 3.362 10.155 10.148 1.00 96.43 C +ATOM 941 C LEU A 121 3.450 8.964 9.185 1.00 96.48 C +ATOM 942 O LEU A 121 3.953 9.112 8.072 1.00 96.28 O +ATOM 943 CB LEU A 121 4.390 10.022 11.280 1.00 96.29 C +ATOM 944 CG LEU A 121 5.846 9.829 10.800 1.00 95.80 C +ATOM 945 CD1 LEU A 121 6.756 9.592 12.011 1.00 95.17 C +ATOM 946 CD2 LEU A 121 6.357 11.064 10.049 1.00 94.55 C +ATOM 947 N PHE A 122 2.929 7.815 9.551 1.00 96.69 N +ATOM 948 CA PHE A 122 2.878 6.660 8.661 1.00 96.74 C +ATOM 949 C PHE A 122 2.057 6.939 7.408 1.00 96.80 C +ATOM 950 O PHE A 122 2.503 6.621 6.308 1.00 96.64 O +ATOM 951 CB PHE A 122 2.325 5.439 9.406 1.00 96.67 C +ATOM 952 CG PHE A 122 3.103 4.961 10.614 1.00 96.65 C +ATOM 953 CD1 PHE A 122 4.469 5.228 10.772 1.00 96.24 C +ATOM 954 CD2 PHE A 122 2.446 4.177 11.577 1.00 96.07 C +ATOM 955 CE1 PHE A 122 5.179 4.738 11.880 1.00 95.58 C +ATOM 956 CE2 PHE A 122 3.140 3.676 12.694 1.00 95.65 C +ATOM 957 CZ PHE A 122 4.508 3.953 12.844 1.00 95.61 C +ATOM 958 N ALA A 123 0.917 7.585 7.560 1.00 96.69 N +ATOM 959 CA ALA A 123 0.083 7.968 6.430 1.00 96.69 C +ATOM 960 C ALA A 123 0.823 8.903 5.457 1.00 96.76 C +ATOM 961 O ALA A 123 0.785 8.695 4.245 1.00 96.58 O +ATOM 962 CB ALA A 123 -1.193 8.608 6.966 1.00 96.54 C +ATOM 963 N GLN A 124 1.541 9.885 5.987 1.00 96.72 N +ATOM 964 CA GLN A 124 2.386 10.773 5.187 1.00 96.69 C +ATOM 965 C GLN A 124 3.455 9.995 4.414 1.00 96.75 C +ATOM 966 O GLN A 124 3.592 10.166 3.210 1.00 96.41 O +ATOM 967 CB GLN A 124 3.025 11.823 6.118 1.00 96.32 C +ATOM 968 CG GLN A 124 3.910 12.795 5.359 1.00 94.83 C +ATOM 969 CD GLN A 124 4.863 13.551 6.280 1.00 93.64 C +ATOM 970 OE1 GLN A 124 4.551 13.895 7.413 1.00 86.83 O +ATOM 971 NE2 GLN A 124 6.056 13.807 5.833 1.00 86.10 N +ATOM 972 N GLN A 125 4.159 9.110 5.082 1.00 96.69 N +ATOM 973 CA GLN A 125 5.213 8.298 4.468 1.00 96.69 C +ATOM 974 C GLN A 125 4.676 7.349 3.385 1.00 96.70 C +ATOM 975 O GLN A 125 5.310 7.174 2.349 1.00 96.47 O +ATOM 976 CB GLN A 125 5.920 7.490 5.557 1.00 96.63 C +ATOM 977 CG GLN A 125 6.759 8.371 6.494 1.00 96.40 C +ATOM 978 CD GLN A 125 7.460 7.560 7.599 1.00 96.20 C +ATOM 979 OE1 GLN A 125 7.375 6.348 7.658 1.00 94.48 O +ATOM 980 NE2 GLN A 125 8.166 8.202 8.469 1.00 93.71 N +ATOM 981 N ILE A 126 3.508 6.785 3.598 1.00 96.67 N +ATOM 982 CA ILE A 126 2.830 5.996 2.559 1.00 96.70 C +ATOM 983 C ILE A 126 2.576 6.870 1.332 1.00 96.68 C +ATOM 984 O ILE A 126 2.889 6.460 0.218 1.00 96.57 O +ATOM 985 CB ILE A 126 1.525 5.366 3.098 1.00 96.79 C +ATOM 986 CG1 ILE A 126 1.829 4.310 4.177 1.00 96.77 C +ATOM 987 CG2 ILE A 126 0.731 4.707 1.957 1.00 96.78 C +ATOM 988 CD1 ILE A 126 0.607 3.942 5.045 1.00 96.49 C +ATOM 989 N CYS A 127 2.085 8.086 1.524 1.00 96.78 N +ATOM 990 CA CYS A 127 1.869 9.017 0.418 1.00 96.72 C +ATOM 991 C CYS A 127 3.166 9.394 -0.302 1.00 96.67 C +ATOM 992 O CYS A 127 3.157 9.485 -1.525 1.00 96.41 O +ATOM 993 CB CYS A 127 1.161 10.279 0.918 1.00 96.61 C +ATOM 994 SG CYS A 127 -0.551 9.877 1.338 1.00 96.39 S +ATOM 995 N GLU A 128 4.250 9.567 0.412 1.00 96.90 N +ATOM 996 CA GLU A 128 5.570 9.850 -0.181 1.00 96.78 C +ATOM 997 C GLU A 128 6.058 8.691 -1.052 1.00 96.90 C +ATOM 998 O GLU A 128 6.421 8.886 -2.211 1.00 96.56 O +ATOM 999 CB GLU A 128 6.577 10.175 0.935 1.00 96.45 C +ATOM 1000 CG GLU A 128 6.299 11.571 1.548 1.00 94.79 C +ATOM 1001 CD GLU A 128 7.107 11.918 2.815 1.00 93.86 C +ATOM 1002 OE1 GLU A 128 6.940 13.069 3.292 1.00 84.16 O +ATOM 1003 OE2 GLU A 128 7.849 11.080 3.345 1.00 82.25 O +ATOM 1004 N GLY A 129 5.958 7.480 -0.558 1.00 96.85 N +ATOM 1005 CA GLY A 129 6.305 6.290 -1.331 1.00 96.81 C +ATOM 1006 C GLY A 129 5.401 6.081 -2.549 1.00 96.93 C +ATOM 1007 O GLY A 129 5.883 5.738 -3.631 1.00 96.74 O +ATOM 1008 N MET A 130 4.119 6.343 -2.405 1.00 96.51 N +ATOM 1009 CA MET A 130 3.156 6.213 -3.505 1.00 96.57 C +ATOM 1010 C MET A 130 3.297 7.316 -4.558 1.00 96.55 C +ATOM 1011 O MET A 130 3.164 7.033 -5.745 1.00 96.36 O +ATOM 1012 CB MET A 130 1.738 6.205 -2.933 1.00 96.55 C +ATOM 1013 CG MET A 130 1.421 4.895 -2.200 1.00 96.38 C +ATOM 1014 SD MET A 130 1.563 3.351 -3.147 1.00 96.17 S +ATOM 1015 CE MET A 130 0.408 3.669 -4.480 1.00 95.25 C +ATOM 1016 N ALA A 131 3.603 8.543 -4.145 1.00 96.69 N +ATOM 1017 CA ALA A 131 3.895 9.633 -5.070 1.00 96.60 C +ATOM 1018 C ALA A 131 5.126 9.304 -5.928 1.00 96.58 C +ATOM 1019 O ALA A 131 5.084 9.461 -7.146 1.00 96.36 O +ATOM 1020 CB ALA A 131 4.104 10.922 -4.274 1.00 96.49 C +ATOM 1021 N TYR A 132 6.163 8.760 -5.307 1.00 96.57 N +ATOM 1022 CA TYR A 132 7.328 8.273 -6.043 1.00 96.43 C +ATOM 1023 C TYR A 132 6.952 7.148 -7.017 1.00 96.49 C +ATOM 1024 O TYR A 132 7.321 7.210 -8.186 1.00 96.25 O +ATOM 1025 CB TYR A 132 8.388 7.799 -5.054 1.00 96.30 C +ATOM 1026 CG TYR A 132 9.500 7.010 -5.711 1.00 96.11 C +ATOM 1027 CD1 TYR A 132 10.563 7.692 -6.348 1.00 95.67 C +ATOM 1028 CD2 TYR A 132 9.460 5.609 -5.728 1.00 95.49 C +ATOM 1029 CE1 TYR A 132 11.585 6.964 -6.995 1.00 94.88 C +ATOM 1030 CE2 TYR A 132 10.480 4.879 -6.364 1.00 95.07 C +ATOM 1031 CZ TYR A 132 11.534 5.554 -6.991 1.00 95.00 C +ATOM 1032 OH TYR A 132 12.532 4.844 -7.614 1.00 94.10 O +ATOM 1033 N LEU A 133 6.178 6.167 -6.582 1.00 96.39 N +ATOM 1034 CA LEU A 133 5.745 5.063 -7.430 1.00 96.35 C +ATOM 1035 C LEU A 133 4.994 5.547 -8.670 1.00 96.41 C +ATOM 1036 O LEU A 133 5.277 5.108 -9.784 1.00 96.05 O +ATOM 1037 CB LEU A 133 4.884 4.107 -6.585 1.00 96.05 C +ATOM 1038 CG LEU A 133 4.481 2.825 -7.325 1.00 94.91 C +ATOM 1039 CD1 LEU A 133 3.431 2.059 -6.541 1.00 94.12 C +ATOM 1040 CD2 LEU A 133 5.685 1.912 -7.549 1.00 93.30 C +ATOM 1041 N HIS A 134 4.069 6.480 -8.488 1.00 96.19 N +ATOM 1042 CA HIS A 134 3.329 7.084 -9.580 1.00 96.10 C +ATOM 1043 C HIS A 134 4.221 7.904 -10.497 1.00 95.98 C +ATOM 1044 O HIS A 134 4.061 7.829 -11.714 1.00 95.69 O +ATOM 1045 CB HIS A 134 2.200 7.948 -9.004 1.00 96.04 C +ATOM 1046 CG HIS A 134 1.055 7.154 -8.436 1.00 96.09 C +ATOM 1047 ND1 HIS A 134 -0.143 7.725 -8.016 1.00 95.31 N1+ +ATOM 1048 CD2 HIS A 134 0.937 5.809 -8.307 1.00 95.06 C +ATOM 1049 CE1 HIS A 134 -0.966 6.727 -7.638 1.00 94.72 C +ATOM 1050 NE2 HIS A 134 -0.340 5.544 -7.802 1.00 94.93 N +ATOM 1051 N ALA A 135 5.208 8.623 -9.969 1.00 96.29 N +ATOM 1052 CA ALA A 135 6.196 9.337 -10.784 1.00 96.10 C +ATOM 1053 C ALA A 135 7.064 8.383 -11.632 1.00 96.17 C +ATOM 1054 O ALA A 135 7.546 8.778 -12.695 1.00 95.74 O +ATOM 1055 CB ALA A 135 7.055 10.202 -9.863 1.00 95.69 C +ATOM 1056 N GLN A 136 7.207 7.134 -11.209 1.00 96.15 N +ATOM 1057 CA GLN A 136 7.838 6.066 -12.000 1.00 96.09 C +ATOM 1058 C GLN A 136 6.859 5.369 -12.962 1.00 96.24 C +ATOM 1059 O GLN A 136 7.209 4.357 -13.559 1.00 95.77 O +ATOM 1060 CB GLN A 136 8.512 5.060 -11.059 1.00 95.63 C +ATOM 1061 CG GLN A 136 9.608 5.673 -10.162 1.00 93.93 C +ATOM 1062 CD GLN A 136 10.679 6.426 -10.938 1.00 92.15 C +ATOM 1063 OE1 GLN A 136 11.349 5.896 -11.779 1.00 85.89 O +ATOM 1064 NE2 GLN A 136 10.829 7.707 -10.655 1.00 84.35 N +ATOM 1065 N HIS A 137 5.660 5.886 -13.106 1.00 96.05 N +ATOM 1066 CA HIS A 137 4.603 5.344 -13.976 1.00 95.99 C +ATOM 1067 C HIS A 137 4.088 3.944 -13.598 1.00 96.27 C +ATOM 1068 O HIS A 137 3.648 3.183 -14.453 1.00 95.85 O +ATOM 1069 CB HIS A 137 4.998 5.451 -15.452 1.00 95.39 C +ATOM 1070 CG HIS A 137 5.379 6.839 -15.854 1.00 94.22 C +ATOM 1071 ND1 HIS A 137 4.550 7.949 -15.880 1.00 91.08 N1+ +ATOM 1072 CD2 HIS A 137 6.627 7.275 -16.243 1.00 88.06 C +ATOM 1073 CE1 HIS A 137 5.260 9.003 -16.264 1.00 87.18 C +ATOM 1074 NE2 HIS A 137 6.542 8.628 -16.498 1.00 89.51 N +ATOM 1075 N TYR A 138 4.084 3.634 -12.333 1.00 96.04 N +ATOM 1076 CA TYR A 138 3.476 2.403 -11.834 1.00 96.10 C +ATOM 1077 C TYR A 138 2.213 2.680 -11.022 1.00 96.21 C +ATOM 1078 O TYR A 138 2.113 3.672 -10.312 1.00 95.92 O +ATOM 1079 CB TYR A 138 4.479 1.620 -10.992 1.00 95.99 C +ATOM 1080 CG TYR A 138 5.704 1.170 -11.766 1.00 95.80 C +ATOM 1081 CD1 TYR A 138 5.615 0.157 -12.737 1.00 95.28 C +ATOM 1082 CD2 TYR A 138 6.950 1.787 -11.533 1.00 95.11 C +ATOM 1083 CE1 TYR A 138 6.747 -0.239 -13.470 1.00 94.56 C +ATOM 1084 CE2 TYR A 138 8.093 1.394 -12.255 1.00 94.61 C +ATOM 1085 CZ TYR A 138 7.985 0.387 -13.224 1.00 94.57 C +ATOM 1086 OH TYR A 138 9.096 -0.005 -13.946 1.00 94.04 O +ATOM 1087 N ILE A 139 1.288 1.752 -11.070 1.00 95.96 N +ATOM 1088 CA ILE A 139 0.129 1.666 -10.173 1.00 95.94 C +ATOM 1089 C ILE A 139 0.327 0.448 -9.271 1.00 96.07 C +ATOM 1090 O ILE A 139 0.633 -0.636 -9.775 1.00 95.68 O +ATOM 1091 CB ILE A 139 -1.196 1.568 -10.973 1.00 95.35 C +ATOM 1092 CG1 ILE A 139 -1.359 2.756 -11.932 1.00 92.66 C +ATOM 1093 CG2 ILE A 139 -2.387 1.506 -10.004 1.00 91.66 C +ATOM 1094 CD1 ILE A 139 -2.602 2.625 -12.835 1.00 86.51 C +ATOM 1095 N HIS A 140 0.134 0.603 -7.976 1.00 96.13 N +ATOM 1096 CA HIS A 140 0.347 -0.480 -7.012 1.00 96.10 C +ATOM 1097 C HIS A 140 -0.760 -1.527 -7.049 1.00 96.07 C +ATOM 1098 O HIS A 140 -0.488 -2.723 -7.021 1.00 95.65 O +ATOM 1099 CB HIS A 140 0.502 0.134 -5.610 1.00 96.02 C +ATOM 1100 CG HIS A 140 0.916 -0.873 -4.581 1.00 95.99 C +ATOM 1101 ND1 HIS A 140 0.091 -1.749 -3.894 1.00 94.97 N1+ +ATOM 1102 CD2 HIS A 140 2.195 -1.124 -4.164 1.00 94.61 C +ATOM 1103 CE1 HIS A 140 0.861 -2.504 -3.089 1.00 94.25 C +ATOM 1104 NE2 HIS A 140 2.140 -2.144 -3.234 1.00 94.61 N +ATOM 1105 N ARG A 141 -2.003 -1.089 -7.102 1.00 96.06 N +ATOM 1106 CA ARG A 141 -3.231 -1.907 -7.166 1.00 95.92 C +ATOM 1107 C ARG A 141 -3.522 -2.779 -5.932 1.00 95.97 C +ATOM 1108 O ARG A 141 -4.510 -3.514 -5.939 1.00 95.44 O +ATOM 1109 CB ARG A 141 -3.266 -2.750 -8.451 1.00 95.37 C +ATOM 1110 CG ARG A 141 -3.207 -1.923 -9.727 1.00 93.89 C +ATOM 1111 CD ARG A 141 -3.070 -2.829 -10.967 1.00 92.54 C +ATOM 1112 NE ARG A 141 -4.137 -3.830 -11.021 1.00 89.94 N +ATOM 1113 CZ ARG A 141 -4.028 -5.137 -11.210 1.00 88.32 C +ATOM 1114 NH1 ARG A 141 -2.882 -5.716 -11.417 1.00 85.67 N +ATOM 1115 NH2 ARG A 141 -5.076 -5.880 -11.190 1.00 86.29 N1+ +ATOM 1116 N ASN A 142 -2.711 -2.726 -4.909 1.00 95.91 N +ATOM 1117 CA ASN A 142 -2.895 -3.521 -3.697 1.00 95.71 C +ATOM 1118 C ASN A 142 -2.445 -2.783 -2.420 1.00 95.88 C +ATOM 1119 O ASN A 142 -1.986 -3.408 -1.456 1.00 95.48 O +ATOM 1120 CB ASN A 142 -2.190 -4.869 -3.891 1.00 95.15 C +ATOM 1121 CG ASN A 142 -2.591 -5.930 -2.879 1.00 93.05 C +ATOM 1122 OD1 ASN A 142 -3.607 -5.867 -2.214 1.00 87.51 O +ATOM 1123 ND2 ASN A 142 -1.798 -6.970 -2.786 1.00 83.51 N +ATOM 1124 N LEU A 143 -2.562 -1.475 -2.412 1.00 96.22 N +ATOM 1125 CA LEU A 143 -2.235 -0.685 -1.233 1.00 96.21 C +ATOM 1126 C LEU A 143 -3.238 -0.986 -0.109 1.00 96.17 C +ATOM 1127 O LEU A 143 -4.437 -0.816 -0.274 1.00 95.81 O +ATOM 1128 CB LEU A 143 -2.190 0.801 -1.604 1.00 96.22 C +ATOM 1129 CG LEU A 143 -1.765 1.710 -0.432 1.00 96.00 C +ATOM 1130 CD1 LEU A 143 -1.806 3.165 -0.888 1.00 95.73 C +ATOM 1131 CD2 LEU A 143 -0.355 1.399 0.073 1.00 95.59 C +ATOM 1132 N ALA A 144 -2.735 -1.455 1.007 1.00 95.77 N +ATOM 1133 CA ALA A 144 -3.469 -1.824 2.200 1.00 95.65 C +ATOM 1134 C ALA A 144 -2.500 -1.933 3.384 1.00 95.75 C +ATOM 1135 O ALA A 144 -1.314 -2.189 3.173 1.00 95.45 O +ATOM 1136 CB ALA A 144 -4.152 -3.169 1.953 1.00 95.37 C +ATOM 1137 N ALA A 145 -2.977 -1.854 4.616 1.00 95.87 N +ATOM 1138 CA ALA A 145 -2.127 -1.925 5.811 1.00 95.87 C +ATOM 1139 C ALA A 145 -1.322 -3.230 5.915 1.00 95.95 C +ATOM 1140 O ALA A 145 -0.201 -3.228 6.425 1.00 95.67 O +ATOM 1141 CB ALA A 145 -3.012 -1.737 7.042 1.00 95.67 C +ATOM 1142 N ARG A 146 -1.838 -4.332 5.379 1.00 95.51 N +ATOM 1143 CA ARG A 146 -1.109 -5.615 5.282 1.00 95.21 C +ATOM 1144 C ARG A 146 0.133 -5.572 4.400 1.00 95.38 C +ATOM 1145 O ARG A 146 0.998 -6.427 4.558 1.00 94.75 O +ATOM 1146 CB ARG A 146 -2.064 -6.721 4.799 1.00 94.36 C +ATOM 1147 CG ARG A 146 -2.500 -6.525 3.337 1.00 89.93 C +ATOM 1148 CD ARG A 146 -3.407 -7.651 2.833 1.00 87.56 C +ATOM 1149 NE ARG A 146 -3.813 -7.388 1.450 1.00 82.23 N +ATOM 1150 CZ ARG A 146 -4.872 -6.682 1.055 1.00 79.06 C +ATOM 1151 NH1 ARG A 146 -5.754 -6.237 1.907 1.00 71.42 N +ATOM 1152 NH2 ARG A 146 -5.044 -6.419 -0.194 1.00 71.20 N1+ +ATOM 1153 N ASN A 147 0.192 -4.617 3.481 1.00 96.04 N +ATOM 1154 CA ASN A 147 1.281 -4.447 2.519 1.00 95.94 C +ATOM 1155 C ASN A 147 2.178 -3.249 2.857 1.00 96.05 C +ATOM 1156 O ASN A 147 3.059 -2.909 2.071 1.00 95.73 O +ATOM 1157 CB ASN A 147 0.678 -4.338 1.103 1.00 95.71 C +ATOM 1158 CG ASN A 147 -0.029 -5.607 0.649 1.00 95.16 C +ATOM 1159 OD1 ASN A 147 0.149 -6.683 1.195 1.00 93.67 O +ATOM 1160 ND2 ASN A 147 -0.840 -5.522 -0.375 1.00 93.00 N +ATOM 1161 N VAL A 148 1.966 -2.622 3.987 1.00 96.34 N +ATOM 1162 CA VAL A 148 2.849 -1.608 4.538 1.00 96.33 C +ATOM 1163 C VAL A 148 3.598 -2.211 5.719 1.00 96.33 C +ATOM 1164 O VAL A 148 2.989 -2.654 6.696 1.00 96.10 O +ATOM 1165 CB VAL A 148 2.080 -0.341 4.928 1.00 96.30 C +ATOM 1166 CG1 VAL A 148 1.301 0.240 3.742 1.00 96.14 C +ATOM 1167 CG2 VAL A 148 3.061 0.734 5.423 1.00 96.21 C +ATOM 1168 N LEU A 149 4.903 -2.255 5.616 1.00 96.69 N +ATOM 1169 CA LEU A 149 5.794 -2.847 6.604 1.00 96.60 C +ATOM 1170 C LEU A 149 6.428 -1.756 7.471 1.00 96.68 C +ATOM 1171 O LEU A 149 6.727 -0.669 6.997 1.00 96.32 O +ATOM 1172 CB LEU A 149 6.866 -3.681 5.890 1.00 96.25 C +ATOM 1173 CG LEU A 149 6.327 -4.767 4.945 1.00 95.16 C +ATOM 1174 CD1 LEU A 149 7.506 -5.451 4.245 1.00 94.13 C +ATOM 1175 CD2 LEU A 149 5.545 -5.846 5.693 1.00 92.84 C +ATOM 1176 N LEU A 150 6.656 -2.062 8.726 1.00 96.17 N +ATOM 1177 CA LEU A 150 7.241 -1.158 9.702 1.00 96.02 C +ATOM 1178 C LEU A 150 8.692 -1.579 9.990 1.00 96.07 C +ATOM 1179 O LEU A 150 8.939 -2.667 10.520 1.00 95.56 O +ATOM 1180 CB LEU A 150 6.337 -1.175 10.946 1.00 95.44 C +ATOM 1181 CG LEU A 150 6.728 -0.167 12.026 1.00 92.65 C +ATOM 1182 CD1 LEU A 150 5.830 -0.361 13.249 1.00 90.54 C +ATOM 1183 CD2 LEU A 150 6.573 1.283 11.579 1.00 88.37 C +ATOM 1184 N ASP A 151 9.621 -0.700 9.658 1.00 95.12 N +ATOM 1185 CA ASP A 151 11.048 -0.943 9.874 1.00 94.90 C +ATOM 1186 C ASP A 151 11.461 -0.608 11.315 1.00 94.94 C +ATOM 1187 O ASP A 151 12.145 -1.379 11.987 1.00 94.15 O +ATOM 1188 CB ASP A 151 11.835 -0.101 8.860 1.00 93.93 C +ATOM 1189 CG ASP A 151 13.317 -0.437 8.806 1.00 90.88 C +ATOM 1190 OD1 ASP A 151 13.670 -1.629 8.985 1.00 86.25 O +ATOM 1191 OD2 ASP A 151 14.103 0.497 8.535 1.00 82.84 O +ATOM 1192 N ASN A 152 10.980 0.523 11.793 1.00 94.98 N +ATOM 1193 CA ASN A 152 11.122 0.970 13.182 1.00 94.81 C +ATOM 1194 C ASN A 152 9.912 1.846 13.550 1.00 94.89 C +ATOM 1195 O ASN A 152 9.002 2.041 12.735 1.00 94.38 O +ATOM 1196 CB ASN A 152 12.473 1.703 13.335 1.00 94.39 C +ATOM 1197 CG ASN A 152 12.585 2.927 12.440 1.00 93.66 C +ATOM 1198 OD1 ASN A 152 11.865 3.900 12.624 1.00 91.50 O +ATOM 1199 ND2 ASN A 152 13.481 2.926 11.490 1.00 90.43 N +ATOM 1200 N ASP A 153 9.902 2.401 14.738 1.00 93.44 N +ATOM 1201 CA ASP A 153 8.779 3.211 15.252 1.00 93.32 C +ATOM 1202 C ASP A 153 8.457 4.476 14.434 1.00 93.67 C +ATOM 1203 O ASP A 153 7.421 5.100 14.666 1.00 92.37 O +ATOM 1204 CB ASP A 153 9.055 3.548 16.715 1.00 91.71 C +ATOM 1205 CG ASP A 153 10.244 4.495 16.942 1.00 85.81 C +ATOM 1206 OD1 ASP A 153 11.210 4.421 16.159 1.00 77.08 O +ATOM 1207 OD2 ASP A 153 10.172 5.313 17.883 1.00 74.86 O +ATOM 1208 N ARG A 154 9.308 4.853 13.498 1.00 93.37 N +ATOM 1209 CA ARG A 154 9.158 6.057 12.666 1.00 93.09 C +ATOM 1210 C ARG A 154 9.228 5.820 11.164 1.00 93.79 C +ATOM 1211 O ARG A 154 9.128 6.795 10.423 1.00 92.42 O +ATOM 1212 CB ARG A 154 10.211 7.103 13.078 1.00 90.78 C +ATOM 1213 CG ARG A 154 10.030 7.548 14.525 1.00 81.34 C +ATOM 1214 CD ARG A 154 11.005 8.672 14.844 1.00 73.80 C +ATOM 1215 NE ARG A 154 10.868 9.074 16.250 1.00 67.25 N +ATOM 1216 CZ ARG A 154 11.457 10.123 16.825 1.00 59.61 C +ATOM 1217 NH1 ARG A 154 12.230 10.906 16.141 1.00 52.76 N +ATOM 1218 NH2 ARG A 154 11.244 10.375 18.076 1.00 49.82 N1+ +ATOM 1219 N LEU A 155 9.434 4.614 10.708 1.00 96.09 N +ATOM 1220 CA LEU A 155 9.691 4.355 9.284 1.00 96.13 C +ATOM 1221 C LEU A 155 8.841 3.196 8.762 1.00 96.31 C +ATOM 1222 O LEU A 155 9.023 2.056 9.175 1.00 95.91 O +ATOM 1223 CB LEU A 155 11.188 4.105 9.084 1.00 95.71 C +ATOM 1224 CG LEU A 155 11.601 3.891 7.613 1.00 94.35 C +ATOM 1225 CD1 LEU A 155 13.097 3.590 7.532 1.00 93.45 C +ATOM 1226 CD2 LEU A 155 11.329 5.117 6.755 1.00 92.12 C +ATOM 1227 N VAL A 156 7.989 3.486 7.792 1.00 96.50 N +ATOM 1228 CA VAL A 156 7.222 2.489 7.058 1.00 96.55 C +ATOM 1229 C VAL A 156 7.720 2.345 5.624 1.00 96.63 C +ATOM 1230 O VAL A 156 8.246 3.292 5.032 1.00 96.27 O +ATOM 1231 CB VAL A 156 5.714 2.764 7.083 1.00 96.23 C +ATOM 1232 CG1 VAL A 156 5.162 2.668 8.499 1.00 95.16 C +ATOM 1233 CG2 VAL A 156 5.318 4.106 6.471 1.00 94.77 C +ATOM 1234 N LYS A 157 7.505 1.168 5.079 1.00 96.72 N +ATOM 1235 CA LYS A 157 7.859 0.827 3.700 1.00 96.61 C +ATOM 1236 C LYS A 157 6.719 0.068 3.029 1.00 96.69 C +ATOM 1237 O LYS A 157 6.200 -0.892 3.587 1.00 96.37 O +ATOM 1238 CB LYS A 157 9.146 0.002 3.667 1.00 96.29 C +ATOM 1239 CG LYS A 157 10.317 0.754 4.304 1.00 95.55 C +ATOM 1240 CD LYS A 157 11.632 0.018 4.102 1.00 94.80 C +ATOM 1241 CE LYS A 157 12.750 0.827 4.763 1.00 93.33 C +ATOM 1242 NZ LYS A 157 14.095 0.367 4.345 1.00 91.39 N1+ +ATOM 1243 N ILE A 158 6.379 0.474 1.834 1.00 96.51 N +ATOM 1244 CA ILE A 158 5.385 -0.209 1.006 1.00 96.55 C +ATOM 1245 C ILE A 158 6.024 -1.463 0.415 1.00 96.59 C +ATOM 1246 O ILE A 158 7.146 -1.417 -0.103 1.00 96.36 O +ATOM 1247 CB ILE A 158 4.845 0.736 -0.079 1.00 96.50 C +ATOM 1248 CG1 ILE A 158 4.231 2.000 0.545 1.00 96.19 C +ATOM 1249 CG2 ILE A 158 3.790 0.011 -0.943 1.00 96.15 C +ATOM 1250 CD1 ILE A 158 4.003 3.123 -0.469 1.00 95.55 C +ATOM 1251 N GLY A 159 5.320 -2.571 0.479 1.00 95.73 N +ATOM 1252 CA GLY A 159 5.720 -3.847 -0.103 1.00 95.44 C +ATOM 1253 C GLY A 159 4.619 -4.471 -0.964 1.00 95.58 C +ATOM 1254 O GLY A 159 3.599 -3.855 -1.264 1.00 94.81 O +ATOM 1255 N ASP A 160 4.832 -5.708 -1.347 1.00 94.42 N +ATOM 1256 CA ASP A 160 3.955 -6.546 -2.175 1.00 94.26 C +ATOM 1257 C ASP A 160 3.542 -5.922 -3.515 1.00 94.54 C +ATOM 1258 O ASP A 160 2.373 -5.629 -3.779 1.00 93.45 O +ATOM 1259 CB ASP A 160 2.778 -7.110 -1.379 1.00 92.79 C +ATOM 1260 CG ASP A 160 2.122 -8.287 -2.108 1.00 85.91 C +ATOM 1261 OD1 ASP A 160 2.654 -8.778 -3.128 1.00 73.64 O +ATOM 1262 OD2 ASP A 160 1.080 -8.764 -1.633 1.00 71.68 O +ATOM 1263 N PHE A 161 4.499 -5.811 -4.401 1.00 95.34 N +ATOM 1264 CA PHE A 161 4.294 -5.320 -5.764 1.00 95.33 C +ATOM 1265 C PHE A 161 3.710 -6.375 -6.719 1.00 95.22 C +ATOM 1266 O PHE A 161 3.742 -6.193 -7.933 1.00 94.09 O +ATOM 1267 CB PHE A 161 5.603 -4.711 -6.267 1.00 94.93 C +ATOM 1268 CG PHE A 161 5.963 -3.442 -5.529 1.00 94.98 C +ATOM 1269 CD1 PHE A 161 5.556 -2.198 -6.042 1.00 93.83 C +ATOM 1270 CD2 PHE A 161 6.641 -3.493 -4.304 1.00 93.63 C +ATOM 1271 CE1 PHE A 161 5.801 -1.021 -5.318 1.00 92.57 C +ATOM 1272 CE2 PHE A 161 6.886 -2.323 -3.568 1.00 92.87 C +ATOM 1273 CZ PHE A 161 6.459 -1.088 -4.077 1.00 93.11 C +ATOM 1274 N GLY A 162 3.146 -7.454 -6.196 1.00 94.72 N +ATOM 1275 CA GLY A 162 2.613 -8.558 -6.997 1.00 94.46 C +ATOM 1276 C GLY A 162 1.488 -8.172 -7.955 1.00 94.74 C +ATOM 1277 O GLY A 162 1.353 -8.773 -9.030 1.00 93.93 O +ATOM 1278 N LEU A 163 0.701 -7.164 -7.623 1.00 95.20 N +ATOM 1279 CA LEU A 163 -0.347 -6.619 -8.488 1.00 95.30 C +ATOM 1280 C LEU A 163 0.086 -5.340 -9.222 1.00 95.33 C +ATOM 1281 O LEU A 163 -0.677 -4.867 -10.071 1.00 94.78 O +ATOM 1282 CB LEU A 163 -1.618 -6.381 -7.667 1.00 95.06 C +ATOM 1283 CG LEU A 163 -2.311 -7.660 -7.174 1.00 94.37 C +ATOM 1284 CD1 LEU A 163 -3.589 -7.284 -6.405 1.00 93.69 C +ATOM 1285 CD2 LEU A 163 -2.733 -8.567 -8.333 1.00 92.99 C +ATOM 1286 N ALA A 164 1.244 -4.792 -8.928 1.00 95.81 N +ATOM 1287 CA ALA A 164 1.695 -3.554 -9.536 1.00 95.74 C +ATOM 1288 C ALA A 164 1.821 -3.678 -11.056 1.00 95.81 C +ATOM 1289 O ALA A 164 2.186 -4.725 -11.603 1.00 95.20 O +ATOM 1290 CB ALA A 164 3.008 -3.108 -8.877 1.00 95.34 C +ATOM 1291 N LYS A 165 1.487 -2.610 -11.751 1.00 95.39 N +ATOM 1292 CA LYS A 165 1.547 -2.550 -13.219 1.00 95.15 C +ATOM 1293 C LYS A 165 2.122 -1.217 -13.676 1.00 95.42 C +ATOM 1294 O LYS A 165 1.822 -0.183 -13.103 1.00 94.94 O +ATOM 1295 CB LYS A 165 0.159 -2.758 -13.827 1.00 94.31 C +ATOM 1296 CG LYS A 165 -0.416 -4.165 -13.599 1.00 90.11 C +ATOM 1297 CD LYS A 165 0.400 -5.269 -14.278 1.00 86.14 C +ATOM 1298 CE LYS A 165 -0.211 -6.636 -13.971 1.00 79.60 C +ATOM 1299 NZ LYS A 165 0.642 -7.724 -14.528 1.00 72.95 N1+ +ATOM 1300 N ALA A 166 2.879 -1.262 -14.747 1.00 94.81 N +ATOM 1301 CA ALA A 166 3.241 -0.076 -15.499 1.00 94.73 C +ATOM 1302 C ALA A 166 2.014 0.465 -16.236 1.00 94.71 C +ATOM 1303 O ALA A 166 1.261 -0.294 -16.853 1.00 93.90 O +ATOM 1304 CB ALA A 166 4.378 -0.414 -16.455 1.00 94.05 C +ATOM 1305 N VAL A 167 1.829 1.772 -16.184 1.00 93.10 N +ATOM 1306 CA VAL A 167 0.846 2.447 -17.013 1.00 92.84 C +ATOM 1307 C VAL A 167 1.473 2.648 -18.396 1.00 92.67 C +ATOM 1308 O VAL A 167 2.526 3.248 -18.491 1.00 91.70 O +ATOM 1309 CB VAL A 167 0.407 3.782 -16.386 1.00 92.19 C +ATOM 1310 CG1 VAL A 167 -0.189 3.560 -15.002 1.00 90.84 C +ATOM 1311 CG2 VAL A 167 -0.670 4.451 -17.240 1.00 91.07 C +ATOM 1312 N PRO A 168 0.846 2.154 -19.466 1.00 90.01 N +ATOM 1313 CA PRO A 168 1.382 2.331 -20.803 1.00 89.33 C +ATOM 1314 C PRO A 168 1.501 3.809 -21.151 1.00 89.25 C +ATOM 1315 O PRO A 168 0.632 4.608 -20.809 1.00 87.93 O +ATOM 1316 CB PRO A 168 0.418 1.606 -21.738 1.00 87.90 C +ATOM 1317 CG PRO A 168 -0.274 0.595 -20.836 1.00 86.35 C +ATOM 1318 CD PRO A 168 -0.341 1.322 -19.496 1.00 87.79 C +ATOM 1319 N GLU A 169 2.524 4.167 -21.869 1.00 86.82 N +ATOM 1320 CA GLU A 169 2.740 5.541 -22.301 1.00 86.37 C +ATOM 1321 C GLU A 169 1.535 6.058 -23.099 1.00 86.46 C +ATOM 1322 O GLU A 169 0.950 5.344 -23.923 1.00 82.50 O +ATOM 1323 CB GLU A 169 4.036 5.622 -23.100 1.00 83.17 C +ATOM 1324 CG GLU A 169 4.470 7.068 -23.351 1.00 76.16 C +ATOM 1325 CD GLU A 169 5.801 7.187 -24.085 1.00 70.57 C +ATOM 1326 OE1 GLU A 169 6.310 8.334 -24.205 1.00 60.99 O +ATOM 1327 OE2 GLU A 169 6.333 6.149 -24.526 1.00 59.33 O +ATOM 1328 N GLY A 170 1.135 7.268 -22.824 1.00 86.92 N +ATOM 1329 CA GLY A 170 -0.050 7.876 -23.438 1.00 86.75 C +ATOM 1330 C GLY A 170 -1.393 7.372 -22.892 1.00 87.54 C +ATOM 1331 O GLY A 170 -2.433 7.763 -23.417 1.00 85.72 O +ATOM 1332 N HIS A 171 -1.394 6.519 -21.873 1.00 87.53 N +ATOM 1333 CA HIS A 171 -2.605 6.052 -21.217 1.00 87.64 C +ATOM 1334 C HIS A 171 -2.707 6.630 -19.789 1.00 88.46 C +ATOM 1335 O HIS A 171 -1.714 6.872 -19.116 1.00 86.77 O +ATOM 1336 CB HIS A 171 -2.621 4.528 -21.172 1.00 86.53 C +ATOM 1337 CG HIS A 171 -2.764 3.880 -22.541 1.00 86.45 C +ATOM 1338 ND1 HIS A 171 -1.763 3.815 -23.472 1.00 77.84 N1+ +ATOM 1339 CD2 HIS A 171 -3.880 3.297 -23.050 1.00 77.92 C +ATOM 1340 CE1 HIS A 171 -2.260 3.200 -24.565 1.00 77.08 C +ATOM 1341 NE2 HIS A 171 -3.541 2.867 -24.357 1.00 79.53 N +ATOM 1342 N GLU A 172 -3.923 6.794 -19.341 1.00 89.52 N +ATOM 1343 CA GLU A 172 -4.210 7.255 -17.974 1.00 89.49 C +ATOM 1344 C GLU A 172 -4.504 6.106 -17.013 1.00 90.33 C +ATOM 1345 O GLU A 172 -4.514 6.294 -15.804 1.00 88.17 O +ATOM 1346 CB GLU A 172 -5.393 8.228 -18.025 1.00 86.75 C +ATOM 1347 CG GLU A 172 -5.066 9.483 -18.830 1.00 79.76 C +ATOM 1348 CD GLU A 172 -6.213 10.513 -18.837 1.00 76.85 C +ATOM 1349 OE1 GLU A 172 -5.942 11.675 -19.253 1.00 64.85 O +ATOM 1350 OE2 GLU A 172 -7.342 10.160 -18.420 1.00 62.73 O +ATOM 1351 N TYR A 173 -4.744 4.925 -17.526 1.00 91.58 N +ATOM 1352 CA TYR A 173 -5.119 3.763 -16.738 1.00 92.16 C +ATOM 1353 C TYR A 173 -4.541 2.457 -17.301 1.00 92.37 C +ATOM 1354 O TYR A 173 -4.224 2.328 -18.466 1.00 90.84 O +ATOM 1355 CB TYR A 173 -6.646 3.673 -16.654 1.00 91.19 C +ATOM 1356 CG TYR A 173 -7.360 3.421 -17.967 1.00 91.49 C +ATOM 1357 CD1 TYR A 173 -7.831 4.494 -18.750 1.00 90.37 C +ATOM 1358 CD2 TYR A 173 -7.574 2.103 -18.413 1.00 90.47 C +ATOM 1359 CE1 TYR A 173 -8.489 4.266 -19.970 1.00 89.52 C +ATOM 1360 CE2 TYR A 173 -8.228 1.860 -19.629 1.00 89.79 C +ATOM 1361 CZ TYR A 173 -8.688 2.945 -20.406 1.00 90.09 C +ATOM 1362 OH TYR A 173 -9.329 2.712 -21.595 1.00 87.80 O +ATOM 1363 N TYR A 174 -4.477 1.471 -16.449 1.00 92.62 N +ATOM 1364 CA TYR A 174 -4.270 0.079 -16.808 1.00 92.61 C +ATOM 1365 C TYR A 174 -5.606 -0.673 -16.750 1.00 92.67 C +ATOM 1366 O TYR A 174 -6.413 -0.447 -15.862 1.00 91.60 O +ATOM 1367 CB TYR A 174 -3.231 -0.526 -15.862 1.00 91.57 C +ATOM 1368 CG TYR A 174 -2.965 -1.981 -16.150 1.00 90.25 C +ATOM 1369 CD1 TYR A 174 -2.107 -2.350 -17.197 1.00 88.13 C +ATOM 1370 CD2 TYR A 174 -3.620 -2.986 -15.401 1.00 87.30 C +ATOM 1371 CE1 TYR A 174 -1.898 -3.707 -17.496 1.00 85.69 C +ATOM 1372 CE2 TYR A 174 -3.412 -4.336 -15.691 1.00 86.52 C +ATOM 1373 CZ TYR A 174 -2.545 -4.694 -16.740 1.00 86.23 C +ATOM 1374 OH TYR A 174 -2.333 -6.018 -17.034 1.00 84.02 O +ATOM 1375 N ARG A 175 -5.851 -1.575 -17.695 1.00 91.53 N +ATOM 1376 CA ARG A 175 -7.046 -2.409 -17.685 1.00 91.22 C +ATOM 1377 C ARG A 175 -6.701 -3.864 -17.412 1.00 91.09 C +ATOM 1378 O ARG A 175 -5.901 -4.442 -18.152 1.00 89.99 O +ATOM 1379 CB ARG A 175 -7.812 -2.231 -18.996 1.00 90.40 C +ATOM 1380 CG ARG A 175 -9.257 -2.736 -18.877 1.00 86.93 C +ATOM 1381 CD ARG A 175 -10.025 -2.455 -20.165 1.00 86.19 C +ATOM 1382 NE ARG A 175 -11.482 -2.478 -19.931 1.00 82.62 N +ATOM 1383 CZ ARG A 175 -12.417 -2.096 -20.770 1.00 80.88 C +ATOM 1384 NH1 ARG A 175 -12.145 -1.764 -22.005 1.00 75.21 N +ATOM 1385 NH2 ARG A 175 -13.655 -2.031 -20.395 1.00 75.93 N1+ +ATOM 1386 N VAL A 176 -7.336 -4.435 -16.415 1.00 88.12 N +ATOM 1387 CA VAL A 176 -7.190 -5.850 -16.116 1.00 87.70 C +ATOM 1388 C VAL A 176 -8.117 -6.671 -16.993 1.00 87.32 C +ATOM 1389 O VAL A 176 -9.228 -6.252 -17.301 1.00 84.60 O +ATOM 1390 CB VAL A 176 -7.430 -6.122 -14.629 1.00 85.76 C +ATOM 1391 CG1 VAL A 176 -6.434 -5.307 -13.793 1.00 83.94 C +ATOM 1392 CG2 VAL A 176 -7.218 -7.577 -14.224 1.00 83.19 C +ATOM 1393 N ARG A 177 -7.665 -7.847 -17.400 1.00 80.33 N +ATOM 1394 CA ARG A 177 -8.449 -8.789 -18.219 1.00 79.48 C +ATOM 1395 C ARG A 177 -8.676 -10.136 -17.542 1.00 79.81 C +ATOM 1396 O ARG A 177 -9.318 -10.988 -18.130 1.00 73.51 O +ATOM 1397 CB ARG A 177 -7.744 -8.985 -19.574 1.00 74.77 C +ATOM 1398 CG ARG A 177 -7.677 -7.706 -20.411 1.00 67.98 C +ATOM 1399 CD ARG A 177 -7.123 -8.045 -21.790 1.00 63.23 C +ATOM 1400 NE ARG A 177 -6.997 -6.861 -22.641 1.00 58.05 N +ATOM 1401 CZ ARG A 177 -6.591 -6.858 -23.901 1.00 50.44 C +ATOM 1402 NH1 ARG A 177 -6.247 -7.957 -24.489 1.00 49.03 N +ATOM 1403 NH2 ARG A 177 -6.541 -5.739 -24.552 1.00 45.19 N1+ +ATOM 1404 N GLU A 178 -8.110 -10.312 -16.382 1.00 75.08 N +ATOM 1405 CA GLU A 178 -8.064 -11.588 -15.709 1.00 73.07 C +ATOM 1406 C GLU A 178 -8.867 -11.520 -14.412 1.00 73.26 C +ATOM 1407 O GLU A 178 -8.678 -10.598 -13.611 1.00 68.34 O +ATOM 1408 CB GLU A 178 -6.606 -11.951 -15.418 1.00 68.59 C +ATOM 1409 CG GLU A 178 -5.805 -12.117 -16.695 1.00 63.13 C +ATOM 1410 CD GLU A 178 -4.293 -12.276 -16.468 1.00 59.20 C +ATOM 1411 OE1 GLU A 178 -3.542 -12.226 -17.483 1.00 50.93 O +ATOM 1412 OE2 GLU A 178 -3.885 -12.484 -15.309 1.00 48.70 O +ATOM 1413 N ASP A 179 -9.732 -12.494 -14.219 1.00 72.30 N +ATOM 1414 CA ASP A 179 -10.356 -12.729 -12.934 1.00 72.06 C +ATOM 1415 C ASP A 179 -9.352 -13.375 -11.983 1.00 72.64 C +ATOM 1416 O ASP A 179 -8.542 -14.217 -12.366 1.00 68.01 O +ATOM 1417 CB ASP A 179 -11.590 -13.609 -13.107 1.00 68.07 C +ATOM 1418 CG ASP A 179 -12.709 -12.895 -13.857 1.00 65.26 C +ATOM 1419 OD1 ASP A 179 -12.856 -11.672 -13.706 1.00 56.88 O +ATOM 1420 OD2 ASP A 179 -13.428 -13.587 -14.596 1.00 56.84 O +ATOM 1421 N GLY A 180 -9.389 -12.993 -10.724 1.00 74.59 N +ATOM 1422 CA GLY A 180 -8.527 -13.546 -9.689 1.00 73.74 C +ATOM 1423 C GLY A 180 -8.866 -12.966 -8.334 1.00 75.17 C +ATOM 1424 O GLY A 180 -9.686 -12.056 -8.211 1.00 70.88 O +ATOM 1425 N ASP A 181 -8.205 -13.447 -7.305 1.00 79.05 N +ATOM 1426 CA ASP A 181 -8.356 -12.949 -5.951 1.00 79.87 C +ATOM 1427 C ASP A 181 -7.882 -11.497 -5.869 1.00 81.20 C +ATOM 1428 O ASP A 181 -6.696 -11.196 -5.766 1.00 78.35 O +ATOM 1429 CB ASP A 181 -7.621 -13.845 -4.947 1.00 76.59 C +ATOM 1430 CG ASP A 181 -8.357 -15.149 -4.678 1.00 73.23 C +ATOM 1431 OD1 ASP A 181 -9.578 -15.211 -4.912 1.00 67.07 O +ATOM 1432 OD2 ASP A 181 -7.685 -16.100 -4.223 1.00 67.53 O +ATOM 1433 N SER A 182 -8.835 -10.606 -5.948 1.00 88.75 N +ATOM 1434 CA SER A 182 -8.615 -9.173 -5.911 1.00 89.09 C +ATOM 1435 C SER A 182 -9.047 -8.612 -4.554 1.00 89.54 C +ATOM 1436 O SER A 182 -10.082 -9.007 -4.026 1.00 88.46 O +ATOM 1437 CB SER A 182 -9.389 -8.505 -7.044 1.00 87.83 C +ATOM 1438 OG SER A 182 -8.817 -8.860 -8.296 1.00 84.08 O +ATOM 1439 N PRO A 183 -8.321 -7.663 -3.989 1.00 93.18 N +ATOM 1440 CA PRO A 183 -8.675 -7.021 -2.723 1.00 93.18 C +ATOM 1441 C PRO A 183 -9.832 -6.023 -2.926 1.00 93.50 C +ATOM 1442 O PRO A 183 -9.658 -4.818 -2.766 1.00 92.80 O +ATOM 1443 CB PRO A 183 -7.376 -6.393 -2.232 1.00 92.43 C +ATOM 1444 CG PRO A 183 -6.664 -5.994 -3.530 1.00 91.20 C +ATOM 1445 CD PRO A 183 -7.044 -7.149 -4.471 1.00 92.55 C +ATOM 1446 N VAL A 184 -11.000 -6.516 -3.260 1.00 95.25 N +ATOM 1447 CA VAL A 184 -12.147 -5.725 -3.713 1.00 95.26 C +ATOM 1448 C VAL A 184 -12.595 -4.656 -2.721 1.00 95.37 C +ATOM 1449 O VAL A 184 -12.984 -3.569 -3.138 1.00 94.91 O +ATOM 1450 CB VAL A 184 -13.339 -6.629 -4.076 1.00 94.73 C +ATOM 1451 CG1 VAL A 184 -12.997 -7.520 -5.272 1.00 93.38 C +ATOM 1452 CG2 VAL A 184 -13.812 -7.506 -2.919 1.00 93.11 C +ATOM 1453 N PHE A 185 -12.454 -4.892 -1.428 1.00 95.09 N +ATOM 1454 CA PHE A 185 -12.819 -3.920 -0.394 1.00 95.20 C +ATOM 1455 C PHE A 185 -11.884 -2.702 -0.326 1.00 95.25 C +ATOM 1456 O PHE A 185 -12.213 -1.722 0.328 1.00 94.91 O +ATOM 1457 CB PHE A 185 -12.891 -4.635 0.954 1.00 95.11 C +ATOM 1458 CG PHE A 185 -13.891 -5.768 0.983 1.00 95.14 C +ATOM 1459 CD1 PHE A 185 -15.270 -5.504 0.926 1.00 94.60 C +ATOM 1460 CD2 PHE A 185 -13.454 -7.100 1.072 1.00 94.59 C +ATOM 1461 CE1 PHE A 185 -16.182 -6.562 0.978 1.00 93.93 C +ATOM 1462 CE2 PHE A 185 -14.368 -8.148 1.122 1.00 93.89 C +ATOM 1463 CZ PHE A 185 -15.733 -7.878 1.079 1.00 93.92 C +ATOM 1464 N TRP A 186 -10.778 -2.739 -1.009 1.00 95.05 N +ATOM 1465 CA TRP A 186 -9.884 -1.594 -1.205 1.00 95.07 C +ATOM 1466 C TRP A 186 -10.047 -0.938 -2.580 1.00 95.13 C +ATOM 1467 O TRP A 186 -9.365 0.039 -2.865 1.00 94.97 O +ATOM 1468 CB TRP A 186 -8.428 -2.016 -0.977 1.00 95.12 C +ATOM 1469 CG TRP A 186 -8.064 -2.264 0.463 1.00 95.33 C +ATOM 1470 CD1 TRP A 186 -7.381 -1.425 1.261 1.00 95.17 C +ATOM 1471 CD2 TRP A 186 -8.400 -3.442 1.282 1.00 95.32 C +ATOM 1472 NE1 TRP A 186 -7.261 -1.988 2.537 1.00 94.96 N +ATOM 1473 CE2 TRP A 186 -7.895 -3.211 2.582 1.00 95.05 C +ATOM 1474 CE3 TRP A 186 -9.092 -4.652 1.054 1.00 95.01 C +ATOM 1475 CZ2 TRP A 186 -8.076 -4.142 3.651 1.00 94.61 C +ATOM 1476 CZ3 TRP A 186 -9.284 -5.585 2.109 1.00 94.70 C +ATOM 1477 CH2 TRP A 186 -8.767 -5.318 3.389 1.00 94.54 C +ATOM 1478 N TYR A 187 -10.904 -1.471 -3.426 1.00 95.77 N +ATOM 1479 CA TYR A 187 -11.021 -1.013 -4.798 1.00 95.70 C +ATOM 1480 C TYR A 187 -12.062 0.094 -4.963 1.00 95.89 C +ATOM 1481 O TYR A 187 -13.156 0.036 -4.414 1.00 95.52 O +ATOM 1482 CB TYR A 187 -11.284 -2.185 -5.748 1.00 95.31 C +ATOM 1483 CG TYR A 187 -10.086 -3.057 -6.084 1.00 94.49 C +ATOM 1484 CD1 TYR A 187 -8.791 -2.793 -5.595 1.00 93.36 C +ATOM 1485 CD2 TYR A 187 -10.275 -4.136 -6.974 1.00 92.62 C +ATOM 1486 CE1 TYR A 187 -7.703 -3.596 -5.972 1.00 92.26 C +ATOM 1487 CE2 TYR A 187 -9.188 -4.940 -7.361 1.00 92.02 C +ATOM 1488 CZ TYR A 187 -7.908 -4.668 -6.862 1.00 92.14 C +ATOM 1489 OH TYR A 187 -6.835 -5.447 -7.238 1.00 91.72 O +ATOM 1490 N ALA A 188 -11.711 1.066 -5.791 1.00 95.64 N +ATOM 1491 CA ALA A 188 -12.601 2.107 -6.254 1.00 95.59 C +ATOM 1492 C ALA A 188 -13.682 1.572 -7.220 1.00 95.64 C +ATOM 1493 O ALA A 188 -13.471 0.521 -7.851 1.00 95.48 O +ATOM 1494 CB ALA A 188 -11.734 3.174 -6.920 1.00 95.48 C +ATOM 1495 N PRO A 189 -14.781 2.290 -7.424 1.00 95.19 N +ATOM 1496 CA PRO A 189 -15.871 1.865 -8.318 1.00 94.99 C +ATOM 1497 C PRO A 189 -15.419 1.501 -9.730 1.00 95.04 C +ATOM 1498 O PRO A 189 -15.840 0.481 -10.269 1.00 94.75 O +ATOM 1499 CB PRO A 189 -16.846 3.022 -8.323 1.00 94.69 C +ATOM 1500 CG PRO A 189 -16.660 3.657 -6.946 1.00 93.92 C +ATOM 1501 CD PRO A 189 -15.158 3.496 -6.701 1.00 94.68 C +ATOM 1502 N GLU A 190 -14.527 2.259 -10.335 1.00 94.93 N +ATOM 1503 CA GLU A 190 -14.016 1.993 -11.686 1.00 94.88 C +ATOM 1504 C GLU A 190 -13.211 0.693 -11.788 1.00 94.77 C +ATOM 1505 O GLU A 190 -13.177 0.069 -12.840 1.00 94.22 O +ATOM 1506 CB GLU A 190 -13.199 3.190 -12.210 1.00 94.64 C +ATOM 1507 CG GLU A 190 -11.836 3.446 -11.548 1.00 93.87 C +ATOM 1508 CD GLU A 190 -11.845 4.215 -10.210 1.00 93.83 C +ATOM 1509 OE1 GLU A 190 -10.768 4.445 -9.657 1.00 87.55 O +ATOM 1510 OE2 GLU A 190 -12.933 4.595 -9.735 1.00 86.36 O +ATOM 1511 N CYS A 191 -12.594 0.271 -10.682 1.00 95.29 N +ATOM 1512 CA CYS A 191 -11.900 -1.006 -10.622 1.00 95.14 C +ATOM 1513 C CYS A 191 -12.881 -2.175 -10.561 1.00 95.08 C +ATOM 1514 O CYS A 191 -12.663 -3.198 -11.201 1.00 94.61 O +ATOM 1515 CB CYS A 191 -10.966 -1.037 -9.399 1.00 94.98 C +ATOM 1516 SG CYS A 191 -9.827 0.372 -9.347 1.00 94.43 S +ATOM 1517 N LEU A 192 -13.933 -2.006 -9.786 1.00 94.66 N +ATOM 1518 CA LEU A 192 -14.965 -3.035 -9.597 1.00 94.58 C +ATOM 1519 C LEU A 192 -15.840 -3.223 -10.839 1.00 94.53 C +ATOM 1520 O LEU A 192 -16.179 -4.351 -11.188 1.00 94.14 O +ATOM 1521 CB LEU A 192 -15.836 -2.648 -8.395 1.00 94.51 C +ATOM 1522 CG LEU A 192 -15.113 -2.575 -7.040 1.00 94.08 C +ATOM 1523 CD1 LEU A 192 -16.085 -2.082 -5.966 1.00 93.41 C +ATOM 1524 CD2 LEU A 192 -14.591 -3.954 -6.607 1.00 93.23 C +ATOM 1525 N LYS A 193 -16.210 -2.133 -11.479 1.00 94.24 N +ATOM 1526 CA LYS A 193 -17.191 -2.106 -12.565 1.00 93.93 C +ATOM 1527 C LYS A 193 -16.570 -2.209 -13.948 1.00 93.98 C +ATOM 1528 O LYS A 193 -17.113 -2.869 -14.830 1.00 93.03 O +ATOM 1529 CB LYS A 193 -18.017 -0.823 -12.394 1.00 93.01 C +ATOM 1530 CG LYS A 193 -19.268 -0.783 -13.271 1.00 88.50 C +ATOM 1531 CD LYS A 193 -20.046 0.472 -12.935 1.00 86.19 C +ATOM 1532 CE LYS A 193 -21.365 0.537 -13.680 1.00 79.25 C +ATOM 1533 NZ LYS A 193 -22.204 1.652 -13.189 1.00 73.67 N1+ +ATOM 1534 N GLU A 194 -15.442 -1.578 -14.144 1.00 93.83 N +ATOM 1535 CA GLU A 194 -14.827 -1.427 -15.473 1.00 93.60 C +ATOM 1536 C GLU A 194 -13.450 -2.099 -15.595 1.00 93.88 C +ATOM 1537 O GLU A 194 -12.871 -2.078 -16.686 1.00 92.56 O +ATOM 1538 CB GLU A 194 -14.694 0.062 -15.826 1.00 92.30 C +ATOM 1539 CG GLU A 194 -16.034 0.816 -15.837 1.00 85.39 C +ATOM 1540 CD GLU A 194 -15.870 2.265 -16.287 1.00 79.48 C +ATOM 1541 OE1 GLU A 194 -16.862 2.987 -16.263 1.00 68.05 O +ATOM 1542 OE2 GLU A 194 -14.731 2.655 -16.697 1.00 65.29 O +ATOM 1543 N TYR A 195 -12.948 -2.648 -14.551 1.00 93.41 N +ATOM 1544 CA TYR A 195 -11.611 -3.232 -14.475 1.00 93.25 C +ATOM 1545 C TYR A 195 -10.487 -2.254 -14.854 1.00 93.56 C +ATOM 1546 O TYR A 195 -9.421 -2.656 -15.311 1.00 92.42 O +ATOM 1547 CB TYR A 195 -11.547 -4.547 -15.251 1.00 92.04 C +ATOM 1548 CG TYR A 195 -12.600 -5.562 -14.835 1.00 89.43 C +ATOM 1549 CD1 TYR A 195 -12.314 -6.486 -13.821 1.00 85.84 C +ATOM 1550 CD2 TYR A 195 -13.859 -5.583 -15.466 1.00 83.47 C +ATOM 1551 CE1 TYR A 195 -13.284 -7.424 -13.421 1.00 79.00 C +ATOM 1552 CE2 TYR A 195 -14.844 -6.507 -15.078 1.00 80.17 C +ATOM 1553 CZ TYR A 195 -14.551 -7.442 -14.065 1.00 79.30 C +ATOM 1554 OH TYR A 195 -15.487 -8.361 -13.662 1.00 77.68 O +ATOM 1555 N LYS A 196 -10.743 -0.967 -14.657 1.00 94.08 N +ATOM 1556 CA LYS A 196 -9.781 0.099 -14.929 1.00 93.79 C +ATOM 1557 C LYS A 196 -9.097 0.530 -13.644 1.00 93.95 C +ATOM 1558 O LYS A 196 -9.750 0.785 -12.651 1.00 93.10 O +ATOM 1559 CB LYS A 196 -10.474 1.301 -15.575 1.00 93.04 C +ATOM 1560 CG LYS A 196 -10.968 1.038 -17.006 1.00 89.95 C +ATOM 1561 CD LYS A 196 -11.698 2.289 -17.489 1.00 87.24 C +ATOM 1562 CE LYS A 196 -12.379 2.104 -18.836 1.00 82.66 C +ATOM 1563 NZ LYS A 196 -13.403 3.168 -19.029 1.00 77.96 N1+ +ATOM 1564 N PHE A 197 -7.802 0.672 -13.720 1.00 94.25 N +ATOM 1565 CA PHE A 197 -6.963 1.119 -12.607 1.00 94.38 C +ATOM 1566 C PHE A 197 -6.209 2.378 -13.016 1.00 94.33 C +ATOM 1567 O PHE A 197 -5.304 2.317 -13.850 1.00 93.08 O +ATOM 1568 CB PHE A 197 -5.996 0.012 -12.205 1.00 93.48 C +ATOM 1569 CG PHE A 197 -6.683 -1.184 -11.577 1.00 91.35 C +ATOM 1570 CD1 PHE A 197 -6.727 -1.314 -10.179 1.00 87.32 C +ATOM 1571 CD2 PHE A 197 -7.300 -2.150 -12.391 1.00 88.72 C +ATOM 1572 CE1 PHE A 197 -7.409 -2.396 -9.601 1.00 87.84 C +ATOM 1573 CE2 PHE A 197 -7.983 -3.228 -11.815 1.00 87.30 C +ATOM 1574 CZ PHE A 197 -8.034 -3.352 -10.413 1.00 87.05 C +ATOM 1575 N TYR A 198 -6.612 3.482 -12.443 1.00 94.99 N +ATOM 1576 CA TYR A 198 -5.954 4.782 -12.550 1.00 94.82 C +ATOM 1577 C TYR A 198 -4.988 4.974 -11.387 1.00 94.92 C +ATOM 1578 O TYR A 198 -5.076 4.286 -10.372 1.00 94.34 O +ATOM 1579 CB TYR A 198 -7.021 5.882 -12.547 1.00 94.30 C +ATOM 1580 CG TYR A 198 -7.989 5.812 -13.712 1.00 93.64 C +ATOM 1581 CD1 TYR A 198 -7.789 6.627 -14.844 1.00 92.47 C +ATOM 1582 CD2 TYR A 198 -9.097 4.949 -13.667 1.00 91.35 C +ATOM 1583 CE1 TYR A 198 -8.691 6.572 -15.922 1.00 90.63 C +ATOM 1584 CE2 TYR A 198 -9.994 4.872 -14.740 1.00 91.52 C +ATOM 1585 CZ TYR A 198 -9.788 5.689 -15.867 1.00 91.34 C +ATOM 1586 OH TYR A 198 -10.670 5.634 -16.929 1.00 89.52 O +ATOM 1587 N TYR A 199 -4.132 5.983 -11.471 1.00 95.95 N +ATOM 1588 CA TYR A 199 -3.398 6.466 -10.295 1.00 95.88 C +ATOM 1589 C TYR A 199 -4.347 6.846 -9.152 1.00 95.94 C +ATOM 1590 O TYR A 199 -4.124 6.465 -8.002 1.00 95.56 O +ATOM 1591 CB TYR A 199 -2.542 7.666 -10.693 1.00 95.59 C +ATOM 1592 CG TYR A 199 -1.476 7.357 -11.727 1.00 95.22 C +ATOM 1593 CD1 TYR A 199 -0.395 6.517 -11.382 1.00 94.51 C +ATOM 1594 CD2 TYR A 199 -1.550 7.904 -13.017 1.00 94.25 C +ATOM 1595 CE1 TYR A 199 0.609 6.238 -12.317 1.00 93.68 C +ATOM 1596 CE2 TYR A 199 -0.551 7.622 -13.963 1.00 93.63 C +ATOM 1597 CZ TYR A 199 0.526 6.798 -13.613 1.00 93.66 C +ATOM 1598 OH TYR A 199 1.518 6.526 -14.541 1.00 92.51 O +ATOM 1599 N ALA A 200 -5.462 7.475 -9.496 1.00 95.34 N +ATOM 1600 CA ALA A 200 -6.510 7.796 -8.531 1.00 95.24 C +ATOM 1601 C ALA A 200 -7.171 6.557 -7.881 1.00 95.48 C +ATOM 1602 O ALA A 200 -7.814 6.697 -6.841 1.00 95.16 O +ATOM 1603 CB ALA A 200 -7.537 8.648 -9.268 1.00 94.77 C +ATOM 1604 N SER A 201 -7.041 5.370 -8.451 1.00 96.10 N +ATOM 1605 CA SER A 201 -7.529 4.138 -7.830 1.00 96.04 C +ATOM 1606 C SER A 201 -6.643 3.712 -6.648 1.00 96.15 C +ATOM 1607 O SER A 201 -7.166 3.235 -5.647 1.00 95.92 O +ATOM 1608 CB SER A 201 -7.625 2.999 -8.841 1.00 95.86 C +ATOM 1609 OG SER A 201 -8.309 3.409 -10.037 1.00 95.34 O +ATOM 1610 N ASP A 202 -5.360 3.980 -6.731 1.00 96.39 N +ATOM 1611 CA ASP A 202 -4.468 3.806 -5.574 1.00 96.35 C +ATOM 1612 C ASP A 202 -4.765 4.824 -4.472 1.00 96.40 C +ATOM 1613 O ASP A 202 -4.705 4.489 -3.296 1.00 96.11 O +ATOM 1614 CB ASP A 202 -3.008 3.939 -5.996 1.00 96.26 C +ATOM 1615 CG ASP A 202 -2.414 2.699 -6.664 1.00 96.06 C +ATOM 1616 OD1 ASP A 202 -2.966 1.587 -6.525 1.00 95.21 O +ATOM 1617 OD2 ASP A 202 -1.323 2.848 -7.265 1.00 94.73 O +ATOM 1618 N VAL A 203 -5.154 6.031 -4.846 1.00 96.20 N +ATOM 1619 CA VAL A 203 -5.589 7.051 -3.869 1.00 96.27 C +ATOM 1620 C VAL A 203 -6.844 6.594 -3.120 1.00 96.33 C +ATOM 1621 O VAL A 203 -6.923 6.783 -1.904 1.00 96.17 O +ATOM 1622 CB VAL A 203 -5.833 8.411 -4.555 1.00 96.23 C +ATOM 1623 CG1 VAL A 203 -4.537 8.948 -5.162 1.00 96.03 C +ATOM 1624 CG2 VAL A 203 -6.348 9.449 -3.565 1.00 96.08 C +ATOM 1625 N TRP A 204 -7.768 5.951 -3.799 1.00 96.19 N +ATOM 1626 CA TRP A 204 -8.909 5.329 -3.109 1.00 96.17 C +ATOM 1627 C TRP A 204 -8.430 4.279 -2.097 1.00 96.13 C +ATOM 1628 O TRP A 204 -8.827 4.313 -0.934 1.00 95.86 O +ATOM 1629 CB TRP A 204 -9.855 4.703 -4.127 1.00 96.18 C +ATOM 1630 CG TRP A 204 -11.036 4.006 -3.517 1.00 96.27 C +ATOM 1631 CD1 TRP A 204 -11.002 2.853 -2.797 1.00 95.89 C +ATOM 1632 CD2 TRP A 204 -12.436 4.420 -3.565 1.00 95.97 C +ATOM 1633 NE1 TRP A 204 -12.301 2.550 -2.369 1.00 95.67 N +ATOM 1634 CE2 TRP A 204 -13.187 3.486 -2.817 1.00 95.86 C +ATOM 1635 CE3 TRP A 204 -13.109 5.505 -4.169 1.00 95.90 C +ATOM 1636 CZ2 TRP A 204 -14.593 3.615 -2.646 1.00 95.55 C +ATOM 1637 CZ3 TRP A 204 -14.503 5.627 -4.007 1.00 95.60 C +ATOM 1638 CH2 TRP A 204 -15.242 4.699 -3.249 1.00 95.48 C +ATOM 1639 N SER A 205 -7.555 3.388 -2.514 1.00 96.12 N +ATOM 1640 CA SER A 205 -6.985 2.360 -1.638 1.00 96.01 C +ATOM 1641 C SER A 205 -6.227 2.966 -0.456 1.00 96.11 C +ATOM 1642 O SER A 205 -6.305 2.437 0.651 1.00 95.89 O +ATOM 1643 CB SER A 205 -6.044 1.450 -2.424 1.00 95.81 C +ATOM 1644 OG SER A 205 -6.708 0.891 -3.552 1.00 94.79 O +ATOM 1645 N PHE A 206 -5.556 4.087 -0.668 1.00 96.63 N +ATOM 1646 CA PHE A 206 -4.940 4.846 0.412 1.00 96.65 C +ATOM 1647 C PHE A 206 -5.969 5.353 1.418 1.00 96.68 C +ATOM 1648 O PHE A 206 -5.741 5.212 2.619 1.00 96.53 O +ATOM 1649 CB PHE A 206 -4.125 6.005 -0.149 1.00 96.66 C +ATOM 1650 CG PHE A 206 -3.638 6.941 0.934 1.00 96.71 C +ATOM 1651 CD1 PHE A 206 -2.583 6.544 1.777 1.00 96.42 C +ATOM 1652 CD2 PHE A 206 -4.294 8.156 1.172 1.00 96.46 C +ATOM 1653 CE1 PHE A 206 -2.194 7.358 2.861 1.00 96.21 C +ATOM 1654 CE2 PHE A 206 -3.913 8.976 2.253 1.00 96.19 C +ATOM 1655 CZ PHE A 206 -2.866 8.571 3.103 1.00 96.16 C +ATOM 1656 N GLY A 207 -7.088 5.858 0.986 1.00 96.42 N +ATOM 1657 CA GLY A 207 -8.170 6.249 1.892 1.00 96.34 C +ATOM 1658 C GLY A 207 -8.649 5.086 2.763 1.00 96.49 C +ATOM 1659 O GLY A 207 -8.826 5.234 3.973 1.00 96.27 O +ATOM 1660 N VAL A 208 -8.755 3.888 2.181 1.00 96.40 N +ATOM 1661 CA VAL A 208 -9.076 2.662 2.930 1.00 96.38 C +ATOM 1662 C VAL A 208 -7.929 2.258 3.858 1.00 96.35 C +ATOM 1663 O VAL A 208 -8.171 1.867 4.992 1.00 96.18 O +ATOM 1664 CB VAL A 208 -9.447 1.510 1.973 1.00 96.37 C +ATOM 1665 CG1 VAL A 208 -10.599 1.891 1.038 1.00 96.20 C +ATOM 1666 CG2 VAL A 208 -9.898 0.277 2.764 1.00 96.30 C +ATOM 1667 N THR A 209 -6.691 2.422 3.426 1.00 96.40 N +ATOM 1668 CA THR A 209 -5.516 2.174 4.278 1.00 96.39 C +ATOM 1669 C THR A 209 -5.474 3.149 5.453 1.00 96.42 C +ATOM 1670 O THR A 209 -5.244 2.728 6.585 1.00 96.23 O +ATOM 1671 CB THR A 209 -4.220 2.269 3.470 1.00 96.34 C +ATOM 1672 OG1 THR A 209 -4.278 1.403 2.367 1.00 95.87 O +ATOM 1673 CG2 THR A 209 -2.987 1.883 4.284 1.00 95.72 C +ATOM 1674 N LEU A 210 -5.753 4.410 5.221 1.00 96.74 N +ATOM 1675 CA LEU A 210 -5.841 5.420 6.276 1.00 96.65 C +ATOM 1676 C LEU A 210 -6.932 5.074 7.286 1.00 96.69 C +ATOM 1677 O LEU A 210 -6.697 5.164 8.493 1.00 96.56 O +ATOM 1678 CB LEU A 210 -6.052 6.793 5.621 1.00 96.54 C +ATOM 1679 CG LEU A 210 -6.079 7.973 6.606 1.00 95.93 C +ATOM 1680 CD1 LEU A 210 -6.265 9.278 5.823 1.00 95.40 C +ATOM 1681 CD2 LEU A 210 -4.776 8.101 7.406 1.00 94.91 C +ATOM 1682 N TYR A 211 -8.076 4.583 6.823 1.00 96.12 N +ATOM 1683 CA TYR A 211 -9.112 4.037 7.701 1.00 96.12 C +ATOM 1684 C TYR A 211 -8.586 2.875 8.548 1.00 96.06 C +ATOM 1685 O TYR A 211 -8.795 2.859 9.757 1.00 95.82 O +ATOM 1686 CB TYR A 211 -10.325 3.633 6.854 1.00 96.12 C +ATOM 1687 CG TYR A 211 -11.356 2.813 7.620 1.00 96.15 C +ATOM 1688 CD1 TYR A 211 -12.405 3.444 8.289 1.00 95.80 C +ATOM 1689 CD2 TYR A 211 -11.219 1.418 7.686 1.00 95.78 C +ATOM 1690 CE1 TYR A 211 -13.316 2.691 9.047 1.00 95.43 C +ATOM 1691 CE2 TYR A 211 -12.115 0.659 8.437 1.00 95.39 C +ATOM 1692 CZ TYR A 211 -13.163 1.297 9.117 1.00 95.36 C +ATOM 1693 OH TYR A 211 -14.048 0.555 9.880 1.00 94.86 O +ATOM 1694 N GLU A 212 -7.861 1.942 7.953 1.00 96.23 N +ATOM 1695 CA GLU A 212 -7.237 0.843 8.702 1.00 96.21 C +ATOM 1696 C GLU A 212 -6.290 1.348 9.801 1.00 96.22 C +ATOM 1697 O GLU A 212 -6.355 0.865 10.937 1.00 95.95 O +ATOM 1698 CB GLU A 212 -6.456 -0.090 7.760 1.00 95.98 C +ATOM 1699 CG GLU A 212 -7.343 -0.903 6.812 1.00 95.15 C +ATOM 1700 CD GLU A 212 -6.486 -1.829 5.954 1.00 94.82 C +ATOM 1701 OE1 GLU A 212 -6.340 -3.003 6.326 1.00 87.72 O +ATOM 1702 OE2 GLU A 212 -5.938 -1.384 4.944 1.00 87.19 O +ATOM 1703 N LEU A 213 -5.468 2.348 9.501 1.00 96.37 N +ATOM 1704 CA LEU A 213 -4.565 2.942 10.488 1.00 96.20 C +ATOM 1705 C LEU A 213 -5.341 3.539 11.658 1.00 96.25 C +ATOM 1706 O LEU A 213 -5.048 3.262 12.824 1.00 95.96 O +ATOM 1707 CB LEU A 213 -3.667 4.017 9.857 1.00 95.96 C +ATOM 1708 CG LEU A 213 -2.761 3.557 8.702 1.00 95.01 C +ATOM 1709 CD1 LEU A 213 -1.814 4.682 8.311 1.00 94.27 C +ATOM 1710 CD2 LEU A 213 -1.942 2.333 9.042 1.00 93.56 C +ATOM 1711 N LEU A 214 -6.371 4.314 11.370 1.00 96.15 N +ATOM 1712 CA LEU A 214 -7.170 4.994 12.392 1.00 96.04 C +ATOM 1713 C LEU A 214 -8.074 4.054 13.189 1.00 96.06 C +ATOM 1714 O LEU A 214 -8.528 4.434 14.260 1.00 95.63 O +ATOM 1715 CB LEU A 214 -7.951 6.132 11.729 1.00 95.64 C +ATOM 1716 CG LEU A 214 -7.215 7.488 11.631 1.00 94.22 C +ATOM 1717 CD1 LEU A 214 -5.918 7.407 10.844 1.00 93.07 C +ATOM 1718 CD2 LEU A 214 -6.927 8.095 12.984 1.00 91.67 C +ATOM 1719 N THR A 215 -8.301 2.850 12.718 1.00 95.50 N +ATOM 1720 CA THR A 215 -8.925 1.760 13.479 1.00 95.38 C +ATOM 1721 C THR A 215 -7.909 0.860 14.176 1.00 95.35 C +ATOM 1722 O THR A 215 -8.300 -0.150 14.769 1.00 95.07 O +ATOM 1723 CB THR A 215 -9.864 0.924 12.599 1.00 95.23 C +ATOM 1724 OG1 THR A 215 -9.179 0.382 11.506 1.00 94.93 O +ATOM 1725 CG2 THR A 215 -11.035 1.730 12.074 1.00 94.86 C +ATOM 1726 N HIS A 216 -6.635 1.188 14.102 1.00 95.81 N +ATOM 1727 CA HIS A 216 -5.530 0.346 14.574 1.00 95.62 C +ATOM 1728 C HIS A 216 -5.560 -1.082 13.991 1.00 95.66 C +ATOM 1729 O HIS A 216 -5.156 -2.034 14.655 1.00 95.18 O +ATOM 1730 CB HIS A 216 -5.472 0.358 16.097 1.00 95.10 C +ATOM 1731 CG HIS A 216 -5.121 1.702 16.683 1.00 93.78 C +ATOM 1732 ND1 HIS A 216 -3.855 2.092 17.072 1.00 89.50 N1+ +ATOM 1733 CD2 HIS A 216 -5.961 2.747 16.944 1.00 86.30 C +ATOM 1734 CE1 HIS A 216 -3.929 3.336 17.551 1.00 86.46 C +ATOM 1735 NE2 HIS A 216 -5.205 3.776 17.502 1.00 88.58 N +ATOM 1736 N CYS A 217 -6.046 -1.233 12.788 1.00 95.35 N +ATOM 1737 CA CYS A 217 -6.273 -2.531 12.144 1.00 95.17 C +ATOM 1738 C CYS A 217 -7.096 -3.521 12.982 1.00 95.02 C +ATOM 1739 O CYS A 217 -6.884 -4.737 12.898 1.00 94.45 O +ATOM 1740 CB CYS A 217 -4.947 -3.121 11.651 1.00 94.84 C +ATOM 1741 SG CYS A 217 -4.149 -2.058 10.426 1.00 94.20 S +ATOM 1742 N ASP A 218 -8.012 -3.017 13.768 1.00 94.87 N +ATOM 1743 CA ASP A 218 -8.958 -3.864 14.491 1.00 94.76 C +ATOM 1744 C ASP A 218 -9.785 -4.696 13.502 1.00 94.88 C +ATOM 1745 O ASP A 218 -10.492 -4.162 12.653 1.00 94.37 O +ATOM 1746 CB ASP A 218 -9.846 -2.999 15.390 1.00 94.21 C +ATOM 1747 CG ASP A 218 -10.912 -3.782 16.181 1.00 92.64 C +ATOM 1748 OD1 ASP A 218 -11.065 -5.012 15.991 1.00 89.21 O +ATOM 1749 OD2 ASP A 218 -11.646 -3.131 16.935 1.00 87.28 O +ATOM 1750 N SER A 219 -9.708 -6.010 13.633 1.00 93.80 N +ATOM 1751 CA SER A 219 -10.371 -6.954 12.729 1.00 93.78 C +ATOM 1752 C SER A 219 -11.903 -6.798 12.735 1.00 94.02 C +ATOM 1753 O SER A 219 -12.529 -6.994 11.693 1.00 92.91 O +ATOM 1754 CB SER A 219 -9.992 -8.381 13.095 1.00 92.64 C +ATOM 1755 OG SER A 219 -10.373 -8.685 14.410 1.00 88.70 O +ATOM 1756 N SER A 220 -12.478 -6.382 13.861 1.00 94.49 N +ATOM 1757 CA SER A 220 -13.922 -6.121 13.953 1.00 94.31 C +ATOM 1758 C SER A 220 -14.347 -4.873 13.170 1.00 94.46 C +ATOM 1759 O SER A 220 -15.533 -4.736 12.834 1.00 93.79 O +ATOM 1760 CB SER A 220 -14.319 -5.998 15.421 1.00 93.56 C +ATOM 1761 OG SER A 220 -13.901 -4.778 16.001 1.00 90.69 O +ATOM 1762 N GLN A 221 -13.419 -3.989 12.886 1.00 94.16 N +ATOM 1763 CA GLN A 221 -13.635 -2.748 12.147 1.00 94.28 C +ATOM 1764 C GLN A 221 -12.992 -2.763 10.754 1.00 94.64 C +ATOM 1765 O GLN A 221 -13.043 -1.759 10.062 1.00 93.84 O +ATOM 1766 CB GLN A 221 -13.125 -1.567 12.969 1.00 93.45 C +ATOM 1767 CG GLN A 221 -13.857 -1.436 14.319 1.00 90.07 C +ATOM 1768 CD GLN A 221 -13.435 -0.169 15.050 1.00 87.94 C +ATOM 1769 OE1 GLN A 221 -13.628 0.933 14.561 1.00 80.73 O +ATOM 1770 NE2 GLN A 221 -12.849 -0.301 16.214 1.00 77.56 N +ATOM 1771 N SER A 222 -12.426 -3.871 10.343 1.00 94.80 N +ATOM 1772 CA SER A 222 -11.740 -3.975 9.058 1.00 94.83 C +ATOM 1773 C SER A 222 -12.660 -3.645 7.876 1.00 94.98 C +ATOM 1774 O SER A 222 -13.881 -3.859 7.982 1.00 94.62 O +ATOM 1775 CB SER A 222 -11.128 -5.367 8.881 1.00 94.32 C +ATOM 1776 OG SER A 222 -12.147 -6.344 8.666 1.00 92.75 O +ATOM 1777 N PRO A 223 -12.128 -3.175 6.745 1.00 95.00 N +ATOM 1778 CA PRO A 223 -12.944 -2.887 5.570 1.00 95.09 C +ATOM 1779 C PRO A 223 -13.833 -4.063 5.132 1.00 95.19 C +ATOM 1780 O PRO A 223 -15.029 -3.852 4.947 1.00 95.01 O +ATOM 1781 CB PRO A 223 -11.967 -2.440 4.489 1.00 94.95 C +ATOM 1782 CG PRO A 223 -10.797 -1.877 5.300 1.00 94.54 C +ATOM 1783 CD PRO A 223 -10.763 -2.756 6.543 1.00 95.27 C +ATOM 1784 N PRO A 224 -13.350 -5.312 5.054 1.00 94.30 N +ATOM 1785 CA PRO A 224 -14.219 -6.451 4.736 1.00 94.14 C +ATOM 1786 C PRO A 224 -15.358 -6.628 5.728 1.00 94.20 C +ATOM 1787 O PRO A 224 -16.499 -6.808 5.329 1.00 93.85 O +ATOM 1788 CB PRO A 224 -13.313 -7.689 4.745 1.00 93.75 C +ATOM 1789 CG PRO A 224 -11.925 -7.132 4.430 1.00 93.06 C +ATOM 1790 CD PRO A 224 -11.956 -5.774 5.115 1.00 94.02 C +ATOM 1791 N THR A 225 -15.065 -6.526 7.026 1.00 94.78 N +ATOM 1792 CA THR A 225 -16.093 -6.676 8.071 1.00 94.52 C +ATOM 1793 C THR A 225 -17.173 -5.612 7.946 1.00 94.76 C +ATOM 1794 O THR A 225 -18.346 -5.947 7.856 1.00 94.32 O +ATOM 1795 CB THR A 225 -15.455 -6.630 9.471 1.00 93.94 C +ATOM 1796 OG1 THR A 225 -14.517 -7.669 9.601 1.00 90.85 O +ATOM 1797 CG2 THR A 225 -16.472 -6.809 10.598 1.00 89.64 C +ATOM 1798 N LYS A 226 -16.775 -4.350 7.830 1.00 94.20 N +ATOM 1799 CA LYS A 226 -17.712 -3.238 7.730 1.00 94.12 C +ATOM 1800 C LYS A 226 -18.521 -3.247 6.444 1.00 94.27 C +ATOM 1801 O LYS A 226 -19.722 -3.008 6.480 1.00 93.70 O +ATOM 1802 CB LYS A 226 -16.972 -1.905 7.902 1.00 93.54 C +ATOM 1803 CG LYS A 226 -16.494 -1.666 9.349 1.00 91.03 C +ATOM 1804 CD LYS A 226 -17.682 -1.540 10.305 1.00 88.75 C +ATOM 1805 CE LYS A 226 -17.252 -1.480 11.757 1.00 85.39 C +ATOM 1806 NZ LYS A 226 -18.318 -2.033 12.635 1.00 81.07 N1+ +ATOM 1807 N PHE A 227 -17.925 -3.551 5.328 1.00 93.94 N +ATOM 1808 CA PHE A 227 -18.677 -3.657 4.078 1.00 94.02 C +ATOM 1809 C PHE A 227 -19.625 -4.859 4.078 1.00 93.97 C +ATOM 1810 O PHE A 227 -20.754 -4.712 3.646 1.00 93.82 O +ATOM 1811 CB PHE A 227 -17.721 -3.686 2.903 1.00 94.11 C +ATOM 1812 CG PHE A 227 -17.136 -2.336 2.518 1.00 94.43 C +ATOM 1813 CD1 PHE A 227 -17.971 -1.250 2.237 1.00 93.99 C +ATOM 1814 CD2 PHE A 227 -15.746 -2.177 2.372 1.00 94.05 C +ATOM 1815 CE1 PHE A 227 -17.441 -0.018 1.828 1.00 93.60 C +ATOM 1816 CE2 PHE A 227 -15.207 -0.952 1.949 1.00 93.61 C +ATOM 1817 CZ PHE A 227 -16.052 0.126 1.680 1.00 93.65 C +ATOM 1818 N LEU A 228 -19.230 -6.005 4.602 1.00 93.40 N +ATOM 1819 CA LEU A 228 -20.107 -7.165 4.688 1.00 93.42 C +ATOM 1820 C LEU A 228 -21.277 -6.933 5.648 1.00 93.33 C +ATOM 1821 O LEU A 228 -22.381 -7.387 5.341 1.00 92.89 O +ATOM 1822 CB LEU A 228 -19.306 -8.411 5.094 1.00 93.23 C +ATOM 1823 CG LEU A 228 -18.404 -8.959 3.974 1.00 92.31 C +ATOM 1824 CD1 LEU A 228 -17.516 -10.081 4.536 1.00 91.26 C +ATOM 1825 CD2 LEU A 228 -19.207 -9.541 2.798 1.00 90.53 C +ATOM 1826 N GLU A 229 -21.095 -6.172 6.707 1.00 93.07 N +ATOM 1827 CA GLU A 229 -22.201 -5.743 7.565 1.00 92.80 C +ATOM 1828 C GLU A 229 -23.223 -4.892 6.786 1.00 92.84 C +ATOM 1829 O GLU A 229 -24.425 -5.042 7.002 1.00 91.88 O +ATOM 1830 CB GLU A 229 -21.659 -4.916 8.749 1.00 92.00 C +ATOM 1831 CG GLU A 229 -20.994 -5.761 9.857 1.00 88.33 C +ATOM 1832 CD GLU A 229 -20.245 -4.913 10.923 1.00 87.04 C +ATOM 1833 OE1 GLU A 229 -19.483 -5.498 11.711 1.00 79.64 O +ATOM 1834 OE2 GLU A 229 -20.386 -3.659 10.951 1.00 76.29 O +ATOM 1835 N LEU A 230 -22.759 -4.062 5.863 1.00 90.73 N +ATOM 1836 CA LEU A 230 -23.614 -3.174 5.064 1.00 90.56 C +ATOM 1837 C LEU A 230 -24.298 -3.888 3.893 1.00 90.71 C +ATOM 1838 O LEU A 230 -25.425 -3.538 3.548 1.00 89.58 O +ATOM 1839 CB LEU A 230 -22.768 -2.001 4.547 1.00 89.60 C +ATOM 1840 CG LEU A 230 -22.284 -1.019 5.631 1.00 86.71 C +ATOM 1841 CD1 LEU A 230 -21.286 -0.029 5.012 1.00 84.96 C +ATOM 1842 CD2 LEU A 230 -23.425 -0.225 6.241 1.00 84.50 C +ATOM 1843 N ILE A 231 -23.661 -4.849 3.268 1.00 90.42 N +ATOM 1844 CA ILE A 231 -24.214 -5.539 2.081 1.00 90.05 C +ATOM 1845 C ILE A 231 -24.876 -6.871 2.416 1.00 89.70 C +ATOM 1846 O ILE A 231 -25.544 -7.446 1.554 1.00 87.75 O +ATOM 1847 CB ILE A 231 -23.144 -5.692 0.968 1.00 89.30 C +ATOM 1848 CG1 ILE A 231 -22.052 -6.702 1.341 1.00 88.24 C +ATOM 1849 CG2 ILE A 231 -22.594 -4.314 0.601 1.00 87.69 C +ATOM 1850 CD1 ILE A 231 -20.972 -6.898 0.258 1.00 83.30 C +ATOM 1851 N GLY A 232 -24.681 -7.373 3.609 1.00 84.05 N +ATOM 1852 CA GLY A 232 -25.063 -8.724 4.024 1.00 83.48 C +ATOM 1853 C GLY A 232 -24.114 -9.789 3.526 1.00 84.09 C +ATOM 1854 O GLY A 232 -23.268 -9.563 2.659 1.00 81.60 O +ATOM 1855 N ILE A 233 -24.252 -10.989 4.038 1.00 77.88 N +ATOM 1856 CA ILE A 233 -23.406 -12.124 3.637 1.00 77.19 C +ATOM 1857 C ILE A 233 -23.601 -12.411 2.150 1.00 77.90 C +ATOM 1858 O ILE A 233 -24.707 -12.697 1.687 1.00 74.32 O +ATOM 1859 CB ILE A 233 -23.710 -13.378 4.496 1.00 73.34 C +ATOM 1860 CG1 ILE A 233 -23.488 -13.079 5.989 1.00 70.80 C +ATOM 1861 CG2 ILE A 233 -22.828 -14.554 4.037 1.00 69.45 C +ATOM 1862 CD1 ILE A 233 -23.884 -14.234 6.940 1.00 65.27 C +ATOM 1863 N ALA A 234 -22.533 -12.318 1.403 1.00 72.38 N +ATOM 1864 CA ALA A 234 -22.472 -12.607 -0.005 1.00 70.67 C +ATOM 1865 C ALA A 234 -21.149 -13.282 -0.356 1.00 72.03 C +ATOM 1866 O ALA A 234 -20.179 -13.183 0.386 1.00 68.10 O +ATOM 1867 CB ALA A 234 -22.681 -11.317 -0.779 1.00 65.11 C +ATOM 1868 N GLN A 235 -21.117 -13.976 -1.464 1.00 69.71 N +ATOM 1869 CA GLN A 235 -19.945 -14.707 -1.941 1.00 69.71 C +ATOM 1870 C GLN A 235 -19.641 -14.334 -3.396 1.00 70.32 C +ATOM 1871 O GLN A 235 -20.543 -14.062 -4.175 1.00 65.71 O +ATOM 1872 CB GLN A 235 -20.158 -16.215 -1.795 1.00 64.52 C +ATOM 1873 CG GLN A 235 -20.224 -16.676 -0.318 1.00 59.55 C +ATOM 1874 CD GLN A 235 -18.849 -16.649 0.382 1.00 54.83 C +ATOM 1875 OE1 GLN A 235 -17.832 -16.776 -0.230 1.00 46.24 O +ATOM 1876 NE2 GLN A 235 -18.841 -16.509 1.691 1.00 47.15 N +ATOM 1877 N GLY A 236 -18.373 -14.358 -3.750 1.00 74.65 N +ATOM 1878 CA GLY A 236 -17.899 -14.195 -5.133 1.00 75.13 C +ATOM 1879 C GLY A 236 -18.431 -12.936 -5.815 1.00 77.60 C +ATOM 1880 O GLY A 236 -18.390 -11.845 -5.254 1.00 74.52 O +ATOM 1881 N GLN A 237 -18.965 -13.101 -7.012 1.00 82.97 N +ATOM 1882 CA GLN A 237 -19.485 -11.995 -7.833 1.00 83.61 C +ATOM 1883 C GLN A 237 -20.604 -11.215 -7.162 1.00 84.91 C +ATOM 1884 O GLN A 237 -20.713 -10.008 -7.361 1.00 82.40 O +ATOM 1885 CB GLN A 237 -19.955 -12.515 -9.184 1.00 79.65 C +ATOM 1886 CG GLN A 237 -18.799 -13.001 -10.072 1.00 72.38 C +ATOM 1887 CD GLN A 237 -19.291 -13.394 -11.476 1.00 68.20 C +ATOM 1888 OE1 GLN A 237 -20.474 -13.525 -11.718 1.00 58.97 O +ATOM 1889 NE2 GLN A 237 -18.391 -13.595 -12.391 1.00 57.26 N +ATOM 1890 N MET A 238 -21.410 -11.845 -6.337 1.00 88.31 N +ATOM 1891 CA MET A 238 -22.510 -11.184 -5.631 1.00 89.20 C +ATOM 1892 C MET A 238 -21.975 -10.164 -4.627 1.00 90.04 C +ATOM 1893 O MET A 238 -22.587 -9.113 -4.439 1.00 88.54 O +ATOM 1894 CB MET A 238 -23.394 -12.229 -4.959 1.00 87.55 C +ATOM 1895 CG MET A 238 -24.744 -11.632 -4.550 1.00 81.39 C +ATOM 1896 SD MET A 238 -25.726 -11.110 -5.987 1.00 78.13 S +ATOM 1897 CE MET A 238 -27.213 -10.595 -5.104 1.00 69.28 C +ATOM 1898 N THR A 239 -20.842 -10.422 -4.011 1.00 91.24 N +ATOM 1899 CA THR A 239 -20.175 -9.471 -3.136 1.00 91.68 C +ATOM 1900 C THR A 239 -19.725 -8.233 -3.903 1.00 92.09 C +ATOM 1901 O THR A 239 -20.013 -7.120 -3.477 1.00 91.51 O +ATOM 1902 CB THR A 239 -18.956 -10.094 -2.448 1.00 91.17 C +ATOM 1903 OG1 THR A 239 -19.367 -11.202 -1.685 1.00 90.04 O +ATOM 1904 CG2 THR A 239 -18.227 -9.143 -1.479 1.00 89.74 C +ATOM 1905 N VAL A 240 -19.109 -8.428 -5.049 1.00 93.10 N +ATOM 1906 CA VAL A 240 -18.655 -7.319 -5.914 1.00 93.11 C +ATOM 1907 C VAL A 240 -19.826 -6.491 -6.405 1.00 93.34 C +ATOM 1908 O VAL A 240 -19.765 -5.259 -6.352 1.00 92.94 O +ATOM 1909 CB VAL A 240 -17.833 -7.852 -7.100 1.00 92.57 C +ATOM 1910 CG1 VAL A 240 -16.594 -8.585 -6.600 1.00 90.91 C +ATOM 1911 CG2 VAL A 240 -17.369 -6.727 -8.025 1.00 90.47 C +ATOM 1912 N LEU A 241 -20.908 -7.125 -6.830 1.00 93.01 N +ATOM 1913 CA LEU A 241 -22.125 -6.437 -7.287 1.00 93.02 C +ATOM 1914 C LEU A 241 -22.710 -5.557 -6.186 1.00 93.43 C +ATOM 1915 O LEU A 241 -22.860 -4.355 -6.374 1.00 92.69 O +ATOM 1916 CB LEU A 241 -23.127 -7.481 -7.769 1.00 91.98 C +ATOM 1917 CG LEU A 241 -24.411 -6.871 -8.354 1.00 85.79 C +ATOM 1918 CD1 LEU A 241 -25.463 -7.962 -8.554 1.00 82.28 C +ATOM 1919 CD2 LEU A 241 -24.166 -6.227 -9.713 1.00 79.18 C +ATOM 1920 N ARG A 242 -22.944 -6.120 -5.021 1.00 92.42 N +ATOM 1921 CA ARG A 242 -23.516 -5.386 -3.893 1.00 92.36 C +ATOM 1922 C ARG A 242 -22.604 -4.285 -3.379 1.00 92.98 C +ATOM 1923 O ARG A 242 -23.070 -3.217 -3.001 1.00 92.69 O +ATOM 1924 CB ARG A 242 -23.817 -6.344 -2.749 1.00 91.67 C +ATOM 1925 CG ARG A 242 -25.025 -7.241 -3.065 1.00 87.57 C +ATOM 1926 CD ARG A 242 -25.243 -8.131 -1.846 1.00 85.40 C +ATOM 1927 NE ARG A 242 -26.367 -9.066 -2.046 1.00 79.88 N +ATOM 1928 CZ ARG A 242 -26.877 -9.829 -1.101 1.00 75.16 C +ATOM 1929 NH1 ARG A 242 -26.411 -9.810 0.129 1.00 71.31 N +ATOM 1930 NH2 ARG A 242 -27.859 -10.644 -1.389 1.00 71.05 N1+ +ATOM 1931 N LEU A 243 -21.307 -4.518 -3.351 1.00 94.38 N +ATOM 1932 CA LEU A 243 -20.318 -3.499 -2.989 1.00 94.34 C +ATOM 1933 C LEU A 243 -20.346 -2.346 -3.984 1.00 94.31 C +ATOM 1934 O LEU A 243 -20.378 -1.193 -3.560 1.00 94.22 O +ATOM 1935 CB LEU A 243 -18.935 -4.167 -2.910 1.00 94.39 C +ATOM 1936 CG LEU A 243 -17.791 -3.191 -2.567 1.00 94.05 C +ATOM 1937 CD1 LEU A 243 -16.466 -3.966 -2.535 1.00 93.54 C +ATOM 1938 CD2 LEU A 243 -17.992 -2.523 -1.205 1.00 93.31 C +ATOM 1939 N THR A 244 -20.403 -2.629 -5.268 1.00 94.21 N +ATOM 1940 CA THR A 244 -20.518 -1.604 -6.320 1.00 94.17 C +ATOM 1941 C THR A 244 -21.778 -0.771 -6.132 1.00 94.13 C +ATOM 1942 O THR A 244 -21.697 0.455 -6.072 1.00 93.64 O +ATOM 1943 CB THR A 244 -20.501 -2.234 -7.721 1.00 93.86 C +ATOM 1944 OG1 THR A 244 -19.321 -2.993 -7.874 1.00 92.76 O +ATOM 1945 CG2 THR A 244 -20.506 -1.186 -8.815 1.00 92.14 C +ATOM 1946 N GLU A 245 -22.914 -1.405 -5.948 1.00 94.32 N +ATOM 1947 CA GLU A 245 -24.194 -0.723 -5.700 1.00 93.95 C +ATOM 1948 C GLU A 245 -24.174 0.149 -4.430 1.00 93.93 C +ATOM 1949 O GLU A 245 -24.712 1.251 -4.411 1.00 93.07 O +ATOM 1950 CB GLU A 245 -25.316 -1.753 -5.541 1.00 93.13 C +ATOM 1951 CG GLU A 245 -25.685 -2.451 -6.842 1.00 87.89 C +ATOM 1952 CD GLU A 245 -26.645 -3.624 -6.638 1.00 85.33 C +ATOM 1953 OE1 GLU A 245 -26.955 -4.307 -7.647 1.00 76.64 O +ATOM 1954 OE2 GLU A 245 -27.097 -3.868 -5.496 1.00 75.00 O +ATOM 1955 N LEU A 246 -23.515 -0.324 -3.382 1.00 94.54 N +ATOM 1956 CA LEU A 246 -23.363 0.407 -2.125 1.00 94.44 C +ATOM 1957 C LEU A 246 -22.529 1.672 -2.333 1.00 94.53 C +ATOM 1958 O LEU A 246 -22.919 2.751 -1.903 1.00 93.91 O +ATOM 1959 CB LEU A 246 -22.773 -0.550 -1.087 1.00 93.77 C +ATOM 1960 CG LEU A 246 -22.559 0.088 0.304 1.00 91.18 C +ATOM 1961 CD1 LEU A 246 -21.140 0.582 0.497 1.00 89.03 C +ATOM 1962 CD2 LEU A 246 -22.843 -0.940 1.390 1.00 87.43 C +ATOM 1963 N LEU A 247 -21.411 1.557 -3.037 1.00 94.65 N +ATOM 1964 CA LEU A 247 -20.542 2.690 -3.332 1.00 94.63 C +ATOM 1965 C LEU A 247 -21.200 3.687 -4.281 1.00 94.39 C +ATOM 1966 O LEU A 247 -21.050 4.894 -4.070 1.00 94.04 O +ATOM 1967 CB LEU A 247 -19.211 2.178 -3.909 1.00 94.83 C +ATOM 1968 CG LEU A 247 -18.349 1.367 -2.931 1.00 94.97 C +ATOM 1969 CD1 LEU A 247 -17.092 0.881 -3.661 1.00 94.58 C +ATOM 1970 CD2 LEU A 247 -17.916 2.142 -1.697 1.00 94.51 C +ATOM 1971 N GLU A 248 -21.982 3.241 -5.249 1.00 94.38 N +ATOM 1972 CA GLU A 248 -22.751 4.101 -6.165 1.00 94.08 C +ATOM 1973 C GLU A 248 -23.862 4.874 -5.452 1.00 93.84 C +ATOM 1974 O GLU A 248 -24.135 6.004 -5.827 1.00 92.52 O +ATOM 1975 CB GLU A 248 -23.327 3.269 -7.317 1.00 93.17 C +ATOM 1976 CG GLU A 248 -22.249 2.886 -8.333 1.00 88.40 C +ATOM 1977 CD GLU A 248 -22.777 2.125 -9.556 1.00 85.56 C +ATOM 1978 OE1 GLU A 248 -22.011 2.032 -10.549 1.00 74.07 O +ATOM 1979 OE2 GLU A 248 -23.918 1.629 -9.555 1.00 72.13 O +ATOM 1980 N ARG A 249 -24.424 4.349 -4.404 1.00 94.74 N +ATOM 1981 CA ARG A 249 -25.329 5.099 -3.518 1.00 94.26 C +ATOM 1982 C ARG A 249 -24.642 6.128 -2.627 1.00 94.16 C +ATOM 1983 O ARG A 249 -25.312 6.836 -1.871 1.00 93.23 O +ATOM 1984 CB ARG A 249 -26.144 4.114 -2.670 1.00 93.46 C +ATOM 1985 CG ARG A 249 -27.174 3.318 -3.486 1.00 89.74 C +ATOM 1986 CD ARG A 249 -28.120 2.524 -2.582 1.00 87.17 C +ATOM 1987 NE ARG A 249 -27.431 1.654 -1.614 1.00 83.10 N +ATOM 1988 CZ ARG A 249 -27.106 0.374 -1.744 1.00 80.26 C +ATOM 1989 NH1 ARG A 249 -27.342 -0.278 -2.853 1.00 76.19 N +ATOM 1990 NH2 ARG A 249 -26.541 -0.272 -0.780 1.00 76.65 N1+ +ATOM 1991 N GLY A 250 -23.327 6.208 -2.675 1.00 94.39 N +ATOM 1992 CA GLY A 250 -22.548 7.150 -1.873 1.00 94.29 C +ATOM 1993 C GLY A 250 -22.206 6.660 -0.467 1.00 94.57 C +ATOM 1994 O GLY A 250 -21.661 7.430 0.316 1.00 94.01 O +ATOM 1995 N GLU A 251 -22.516 5.425 -0.129 1.00 94.70 N +ATOM 1996 CA GLU A 251 -22.138 4.856 1.168 1.00 94.61 C +ATOM 1997 C GLU A 251 -20.636 4.626 1.238 1.00 94.90 C +ATOM 1998 O GLU A 251 -19.978 4.298 0.260 1.00 94.40 O +ATOM 1999 CB GLU A 251 -22.919 3.560 1.443 1.00 93.92 C +ATOM 2000 CG GLU A 251 -24.419 3.826 1.639 1.00 90.79 C +ATOM 2001 CD GLU A 251 -25.175 2.544 2.037 1.00 88.63 C +ATOM 2002 OE1 GLU A 251 -26.136 2.160 1.308 1.00 78.78 O +ATOM 2003 OE2 GLU A 251 -24.799 1.919 3.046 1.00 76.18 O +ATOM 2004 N ARG A 252 -20.050 4.811 2.404 1.00 93.96 N +ATOM 2005 CA ARG A 252 -18.627 4.707 2.675 1.00 94.07 C +ATOM 2006 C ARG A 252 -18.373 4.044 4.017 1.00 94.02 C +ATOM 2007 O ARG A 252 -19.294 3.931 4.854 1.00 93.60 O +ATOM 2008 CB ARG A 252 -17.977 6.103 2.646 1.00 94.08 C +ATOM 2009 CG ARG A 252 -18.064 6.819 1.286 1.00 94.14 C +ATOM 2010 CD ARG A 252 -17.322 6.085 0.184 1.00 94.01 C +ATOM 2011 NE ARG A 252 -17.339 6.798 -1.076 1.00 93.74 N +ATOM 2012 CZ ARG A 252 -18.213 6.659 -2.077 1.00 93.59 C +ATOM 2013 NH1 ARG A 252 -19.233 5.830 -2.002 1.00 93.15 N +ATOM 2014 NH2 ARG A 252 -18.069 7.356 -3.156 1.00 93.16 N1+ +ATOM 2015 N LEU A 253 -17.138 3.655 4.267 1.00 94.92 N +ATOM 2016 CA LEU A 253 -16.699 3.230 5.596 1.00 94.95 C +ATOM 2017 C LEU A 253 -16.991 4.336 6.620 1.00 94.93 C +ATOM 2018 O LEU A 253 -16.826 5.516 6.305 1.00 94.65 O +ATOM 2019 CB LEU A 253 -15.187 2.909 5.556 1.00 94.93 C +ATOM 2020 CG LEU A 253 -14.831 1.638 4.781 1.00 94.70 C +ATOM 2021 CD1 LEU A 253 -13.304 1.546 4.630 1.00 94.29 C +ATOM 2022 CD2 LEU A 253 -15.304 0.377 5.520 1.00 94.15 C +ATOM 2023 N PRO A 254 -17.424 3.983 7.847 1.00 95.66 N +ATOM 2024 CA PRO A 254 -17.744 4.959 8.875 1.00 95.49 C +ATOM 2025 C PRO A 254 -16.489 5.660 9.393 1.00 95.62 C +ATOM 2026 O PRO A 254 -15.380 5.168 9.239 1.00 95.24 O +ATOM 2027 CB PRO A 254 -18.434 4.150 9.970 1.00 95.04 C +ATOM 2028 CG PRO A 254 -17.769 2.780 9.864 1.00 94.09 C +ATOM 2029 CD PRO A 254 -17.566 2.624 8.365 1.00 94.71 C +ATOM 2030 N ARG A 255 -16.674 6.782 10.042 1.00 95.19 N +ATOM 2031 CA ARG A 255 -15.569 7.450 10.745 1.00 95.06 C +ATOM 2032 C ARG A 255 -15.083 6.569 11.906 1.00 94.93 C +ATOM 2033 O ARG A 255 -15.903 6.218 12.747 1.00 94.54 O +ATOM 2034 CB ARG A 255 -16.063 8.817 11.229 1.00 94.70 C +ATOM 2035 CG ARG A 255 -14.981 9.587 11.982 1.00 93.46 C +ATOM 2036 CD ARG A 255 -15.503 10.965 12.389 1.00 92.10 C +ATOM 2037 NE ARG A 255 -14.626 11.620 13.349 1.00 89.95 N +ATOM 2038 CZ ARG A 255 -14.850 12.723 14.025 1.00 88.57 C +ATOM 2039 NH1 ARG A 255 -15.960 13.396 13.863 1.00 86.72 N +ATOM 2040 NH2 ARG A 255 -13.996 13.178 14.874 1.00 87.40 N1+ +ATOM 2041 N PRO A 256 -13.774 6.226 11.964 1.00 94.65 N +ATOM 2042 CA PRO A 256 -13.219 5.502 13.096 1.00 94.62 C +ATOM 2043 C PRO A 256 -13.366 6.277 14.417 1.00 94.66 C +ATOM 2044 O PRO A 256 -13.336 7.521 14.428 1.00 94.23 O +ATOM 2045 CB PRO A 256 -11.745 5.268 12.758 1.00 94.45 C +ATOM 2046 CG PRO A 256 -11.730 5.337 11.229 1.00 93.96 C +ATOM 2047 CD PRO A 256 -12.791 6.391 10.939 1.00 94.78 C +ATOM 2048 N ASP A 257 -13.436 5.563 15.511 1.00 93.07 N +ATOM 2049 CA ASP A 257 -13.373 6.179 16.828 1.00 92.71 C +ATOM 2050 C ASP A 257 -12.084 6.977 17.014 1.00 92.93 C +ATOM 2051 O ASP A 257 -11.018 6.547 16.602 1.00 91.88 O +ATOM 2052 CB ASP A 257 -13.480 5.122 17.944 1.00 91.24 C +ATOM 2053 CG ASP A 257 -14.919 4.708 18.274 1.00 84.47 C +ATOM 2054 OD1 ASP A 257 -15.856 5.368 17.789 1.00 77.52 O +ATOM 2055 OD2 ASP A 257 -15.041 3.763 19.104 1.00 76.49 O +ATOM 2056 N LYS A 258 -12.186 8.118 17.616 1.00 91.58 N +ATOM 2057 CA LYS A 258 -11.071 9.060 17.830 1.00 91.34 C +ATOM 2058 C LYS A 258 -10.417 9.601 16.536 1.00 91.88 C +ATOM 2059 O LYS A 258 -9.493 10.400 16.643 1.00 90.47 O +ATOM 2060 CB LYS A 258 -10.022 8.468 18.774 1.00 89.60 C +ATOM 2061 CG LYS A 258 -10.598 7.880 20.061 1.00 83.18 C +ATOM 2062 CD LYS A 258 -9.516 7.141 20.843 1.00 77.70 C +ATOM 2063 CE LYS A 258 -10.106 6.476 22.065 1.00 70.74 C +ATOM 2064 NZ LYS A 258 -9.108 5.652 22.791 1.00 63.59 N1+ +ATOM 2065 N CYS A 259 -10.882 9.227 15.376 1.00 94.48 N +ATOM 2066 CA CYS A 259 -10.433 9.875 14.141 1.00 94.60 C +ATOM 2067 C CYS A 259 -10.937 11.325 14.103 1.00 94.72 C +ATOM 2068 O CYS A 259 -12.136 11.547 14.163 1.00 94.31 O +ATOM 2069 CB CYS A 259 -10.952 9.079 12.937 1.00 94.32 C +ATOM 2070 SG CYS A 259 -10.471 9.854 11.383 1.00 93.58 S +ATOM 2071 N PRO A 260 -10.043 12.327 13.980 1.00 94.91 N +ATOM 2072 CA PRO A 260 -10.445 13.725 13.844 1.00 94.78 C +ATOM 2073 C PRO A 260 -11.345 13.918 12.612 1.00 94.96 C +ATOM 2074 O PRO A 260 -11.163 13.254 11.594 1.00 94.56 O +ATOM 2075 CB PRO A 260 -9.158 14.528 13.724 1.00 94.22 C +ATOM 2076 CG PRO A 260 -8.122 13.657 14.433 1.00 92.93 C +ATOM 2077 CD PRO A 260 -8.586 12.245 14.069 1.00 93.65 C +ATOM 2078 N ALA A 261 -12.247 14.845 12.681 1.00 95.32 N +ATOM 2079 CA ALA A 261 -13.171 15.112 11.594 1.00 95.23 C +ATOM 2080 C ALA A 261 -12.451 15.517 10.292 1.00 95.39 C +ATOM 2081 O ALA A 261 -12.840 15.049 9.222 1.00 95.04 O +ATOM 2082 CB ALA A 261 -14.155 16.221 12.049 1.00 94.71 C +ATOM 2083 N GLU A 262 -11.384 16.285 10.391 1.00 95.10 N +ATOM 2084 CA GLU A 262 -10.572 16.695 9.241 1.00 94.89 C +ATOM 2085 C GLU A 262 -9.878 15.505 8.581 1.00 95.26 C +ATOM 2086 O GLU A 262 -9.839 15.434 7.350 1.00 94.63 O +ATOM 2087 CB GLU A 262 -9.574 17.777 9.685 1.00 93.99 C +ATOM 2088 CG GLU A 262 -8.502 17.314 10.666 1.00 87.11 C +ATOM 2089 CD GLU A 262 -7.729 18.469 11.347 1.00 83.89 C +ATOM 2090 OE1 GLU A 262 -7.259 18.266 12.483 1.00 71.84 O +ATOM 2091 OE2 GLU A 262 -7.640 19.575 10.788 1.00 68.71 O +ATOM 2092 N VAL A 263 -9.418 14.526 9.353 1.00 95.70 N +ATOM 2093 CA VAL A 263 -8.803 13.308 8.815 1.00 95.78 C +ATOM 2094 C VAL A 263 -9.841 12.424 8.140 1.00 95.88 C +ATOM 2095 O VAL A 263 -9.580 11.883 7.066 1.00 95.76 O +ATOM 2096 CB VAL A 263 -8.038 12.539 9.912 1.00 95.63 C +ATOM 2097 CG1 VAL A 263 -6.960 13.401 10.559 1.00 95.15 C +ATOM 2098 CG2 VAL A 263 -7.366 11.289 9.353 1.00 95.12 C +ATOM 2099 N TYR A 264 -11.018 12.325 8.705 1.00 95.97 N +ATOM 2100 CA TYR A 264 -12.109 11.606 8.052 1.00 95.93 C +ATOM 2101 C TYR A 264 -12.568 12.297 6.765 1.00 95.87 C +ATOM 2102 O TYR A 264 -12.877 11.633 5.771 1.00 95.58 O +ATOM 2103 CB TYR A 264 -13.270 11.427 9.017 1.00 95.88 C +ATOM 2104 CG TYR A 264 -14.371 10.563 8.435 1.00 95.80 C +ATOM 2105 CD1 TYR A 264 -14.094 9.237 8.050 1.00 95.43 C +ATOM 2106 CD2 TYR A 264 -15.669 11.066 8.262 1.00 95.25 C +ATOM 2107 CE1 TYR A 264 -15.091 8.413 7.497 1.00 94.82 C +ATOM 2108 CE2 TYR A 264 -16.690 10.247 7.716 1.00 94.86 C +ATOM 2109 CZ TYR A 264 -16.394 8.927 7.341 1.00 94.92 C +ATOM 2110 OH TYR A 264 -17.381 8.125 6.811 1.00 94.43 O +ATOM 2111 N HIS A 265 -12.551 13.626 6.729 1.00 95.50 N +ATOM 2112 CA HIS A 265 -12.814 14.369 5.501 1.00 95.23 C +ATOM 2113 C HIS A 265 -11.781 14.043 4.414 1.00 95.47 C +ATOM 2114 O HIS A 265 -12.151 13.842 3.269 1.00 95.00 O +ATOM 2115 CB HIS A 265 -12.856 15.890 5.808 1.00 94.61 C +ATOM 2116 CG HIS A 265 -14.105 16.527 5.326 1.00 91.88 C +ATOM 2117 ND1 HIS A 265 -15.251 16.696 6.087 1.00 85.57 N1+ +ATOM 2118 CD2 HIS A 265 -14.344 17.059 4.085 1.00 82.70 C +ATOM 2119 CE1 HIS A 265 -16.172 17.336 5.324 1.00 80.00 C +ATOM 2120 NE2 HIS A 265 -15.653 17.564 4.100 1.00 80.81 N +ATOM 2121 N LEU A 266 -10.530 13.931 4.809 1.00 95.78 N +ATOM 2122 CA LEU A 266 -9.460 13.522 3.912 1.00 95.70 C +ATOM 2123 C LEU A 266 -9.680 12.108 3.361 1.00 95.98 C +ATOM 2124 O LEU A 266 -9.520 11.891 2.153 1.00 95.68 O +ATOM 2125 CB LEU A 266 -8.130 13.647 4.662 1.00 95.13 C +ATOM 2126 CG LEU A 266 -6.901 13.497 3.772 1.00 92.21 C +ATOM 2127 CD1 LEU A 266 -5.650 13.384 4.649 1.00 89.59 C +ATOM 2128 CD2 LEU A 266 -6.745 14.708 2.871 1.00 86.10 C +ATOM 2129 N MET A 267 -10.105 11.163 4.193 1.00 95.96 N +ATOM 2130 CA MET A 267 -10.493 9.828 3.706 1.00 95.82 C +ATOM 2131 C MET A 267 -11.611 9.917 2.661 1.00 95.82 C +ATOM 2132 O MET A 267 -11.519 9.282 1.613 1.00 95.43 O +ATOM 2133 CB MET A 267 -10.971 8.915 4.844 1.00 95.50 C +ATOM 2134 CG MET A 267 -9.922 8.599 5.904 1.00 93.77 C +ATOM 2135 SD MET A 267 -10.626 7.588 7.236 1.00 92.43 S +ATOM 2136 CE MET A 267 -9.348 7.790 8.474 1.00 88.73 C +ATOM 2137 N LYS A 268 -12.626 10.692 2.940 1.00 95.95 N +ATOM 2138 CA LYS A 268 -13.761 10.875 2.022 1.00 95.77 C +ATOM 2139 C LYS A 268 -13.344 11.493 0.701 1.00 95.89 C +ATOM 2140 O LYS A 268 -13.846 11.075 -0.336 1.00 95.39 O +ATOM 2141 CB LYS A 268 -14.874 11.707 2.668 1.00 95.30 C +ATOM 2142 CG LYS A 268 -15.590 10.916 3.759 1.00 93.33 C +ATOM 2143 CD LYS A 268 -16.794 11.686 4.320 1.00 91.04 C +ATOM 2144 CE LYS A 268 -17.937 11.700 3.299 1.00 87.09 C +ATOM 2145 NZ LYS A 268 -19.160 12.359 3.831 1.00 82.27 N1+ +ATOM 2146 N ASN A 269 -12.399 12.424 0.702 1.00 96.05 N +ATOM 2147 CA ASN A 269 -11.851 12.985 -0.533 1.00 95.91 C +ATOM 2148 C ASN A 269 -11.122 11.931 -1.364 1.00 96.10 C +ATOM 2149 O ASN A 269 -11.225 11.925 -2.594 1.00 95.79 O +ATOM 2150 CB ASN A 269 -10.923 14.160 -0.185 1.00 95.52 C +ATOM 2151 CG ASN A 269 -11.611 15.359 0.436 1.00 93.94 C +ATOM 2152 OD1 ASN A 269 -12.819 15.477 0.430 1.00 90.17 O +ATOM 2153 ND2 ASN A 269 -10.844 16.273 0.975 1.00 85.44 N +ATOM 2154 N CYS A 270 -10.443 10.989 -0.706 1.00 96.10 N +ATOM 2155 CA CYS A 270 -9.857 9.833 -1.389 1.00 96.11 C +ATOM 2156 C CYS A 270 -10.913 8.863 -1.945 1.00 96.07 C +ATOM 2157 O CYS A 270 -10.589 8.043 -2.811 1.00 95.82 O +ATOM 2158 CB CYS A 270 -8.915 9.089 -0.428 1.00 96.17 C +ATOM 2159 SG CYS A 270 -7.539 10.121 0.133 1.00 96.23 S +ATOM 2160 N TRP A 271 -12.136 8.933 -1.466 1.00 95.87 N +ATOM 2161 CA TRP A 271 -13.276 8.095 -1.877 1.00 95.84 C +ATOM 2162 C TRP A 271 -14.323 8.846 -2.715 1.00 95.66 C +ATOM 2163 O TRP A 271 -15.489 8.436 -2.748 1.00 95.28 O +ATOM 2164 CB TRP A 271 -13.909 7.465 -0.646 1.00 95.90 C +ATOM 2165 CG TRP A 271 -13.020 6.655 0.221 1.00 96.17 C +ATOM 2166 CD1 TRP A 271 -11.938 5.942 -0.157 1.00 95.93 C +ATOM 2167 CD2 TRP A 271 -13.152 6.470 1.680 1.00 96.06 C +ATOM 2168 NE1 TRP A 271 -11.376 5.318 0.967 1.00 95.70 N +ATOM 2169 CE2 TRP A 271 -12.103 5.609 2.090 1.00 95.87 C +ATOM 2170 CE3 TRP A 271 -14.057 6.935 2.649 1.00 95.90 C +ATOM 2171 CZ2 TRP A 271 -11.956 5.220 3.458 1.00 95.67 C +ATOM 2172 CZ3 TRP A 271 -13.899 6.536 3.996 1.00 95.62 C +ATOM 2173 CH2 TRP A 271 -12.861 5.686 4.393 1.00 95.47 C +ATOM 2174 N GLU A 272 -13.911 9.887 -3.375 1.00 96.31 N +ATOM 2175 CA GLU A 272 -14.757 10.504 -4.396 1.00 96.12 C +ATOM 2176 C GLU A 272 -15.096 9.492 -5.495 1.00 96.13 C +ATOM 2177 O GLU A 272 -14.232 8.728 -5.956 1.00 95.59 O +ATOM 2178 CB GLU A 272 -14.061 11.730 -5.000 1.00 95.61 C +ATOM 2179 CG GLU A 272 -14.050 12.934 -4.056 1.00 93.54 C +ATOM 2180 CD GLU A 272 -15.448 13.515 -3.801 1.00 91.60 C +ATOM 2181 OE1 GLU A 272 -15.621 14.245 -2.791 1.00 80.00 O +ATOM 2182 OE2 GLU A 272 -16.370 13.234 -4.596 1.00 78.29 O +ATOM 2183 N THR A 273 -16.343 9.470 -5.909 1.00 95.08 N +ATOM 2184 CA THR A 273 -16.808 8.528 -6.933 1.00 94.96 C +ATOM 2185 C THR A 273 -16.108 8.792 -8.262 1.00 94.96 C +ATOM 2186 O THR A 273 -15.613 7.847 -8.887 1.00 94.41 O +ATOM 2187 CB THR A 273 -18.346 8.642 -7.113 1.00 94.42 C +ATOM 2188 OG1 THR A 273 -18.960 8.352 -5.891 1.00 92.56 O +ATOM 2189 CG2 THR A 273 -18.898 7.646 -8.132 1.00 91.49 C +ATOM 2190 N GLU A 274 -16.061 10.046 -8.680 1.00 94.93 N +ATOM 2191 CA GLU A 274 -15.271 10.453 -9.823 1.00 94.70 C +ATOM 2192 C GLU A 274 -13.776 10.440 -9.480 1.00 95.00 C +ATOM 2193 O GLU A 274 -13.325 11.166 -8.588 1.00 94.32 O +ATOM 2194 CB GLU A 274 -15.692 11.846 -10.293 1.00 93.60 C +ATOM 2195 CG GLU A 274 -16.909 11.811 -11.225 1.00 87.03 C +ATOM 2196 CD GLU A 274 -16.638 11.078 -12.526 1.00 82.88 C +ATOM 2197 OE1 GLU A 274 -17.570 10.426 -13.031 1.00 71.25 O +ATOM 2198 OE2 GLU A 274 -15.474 11.134 -13.004 1.00 68.86 O +ATOM 2199 N ALA A 275 -13.001 9.649 -10.209 1.00 95.12 N +ATOM 2200 CA ALA A 275 -11.580 9.511 -9.986 1.00 95.05 C +ATOM 2201 C ALA A 275 -10.821 10.854 -10.078 1.00 95.12 C +ATOM 2202 O ALA A 275 -9.909 11.099 -9.291 1.00 94.39 O +ATOM 2203 CB ALA A 275 -11.046 8.486 -10.984 1.00 94.49 C +ATOM 2204 N SER A 276 -11.238 11.717 -10.997 1.00 94.78 N +ATOM 2205 CA SER A 276 -10.646 13.049 -11.197 1.00 94.61 C +ATOM 2206 C SER A 276 -10.823 14.008 -10.018 1.00 94.97 C +ATOM 2207 O SER A 276 -10.083 14.989 -9.934 1.00 94.05 O +ATOM 2208 CB SER A 276 -11.271 13.683 -12.438 1.00 93.37 C +ATOM 2209 OG SER A 276 -12.684 13.721 -12.342 1.00 86.08 O +ATOM 2210 N PHE A 277 -11.754 13.761 -9.131 1.00 95.16 N +ATOM 2211 CA PHE A 277 -11.982 14.581 -7.938 1.00 95.06 C +ATOM 2212 C PHE A 277 -11.158 14.152 -6.728 1.00 95.21 C +ATOM 2213 O PHE A 277 -11.093 14.871 -5.735 1.00 94.77 O +ATOM 2214 CB PHE A 277 -13.468 14.600 -7.601 1.00 94.76 C +ATOM 2215 CG PHE A 277 -14.392 15.181 -8.669 1.00 94.21 C +ATOM 2216 CD1 PHE A 277 -13.915 15.932 -9.755 1.00 93.03 C +ATOM 2217 CD2 PHE A 277 -15.778 14.985 -8.545 1.00 92.29 C +ATOM 2218 CE1 PHE A 277 -14.805 16.459 -10.720 1.00 90.75 C +ATOM 2219 CE2 PHE A 277 -16.676 15.515 -9.486 1.00 91.18 C +ATOM 2220 CZ PHE A 277 -16.176 16.239 -10.580 1.00 91.25 C +ATOM 2221 N ARG A 278 -10.520 13.004 -6.781 1.00 95.74 N +ATOM 2222 CA ARG A 278 -9.644 12.557 -5.713 1.00 95.77 C +ATOM 2223 C ARG A 278 -8.334 13.347 -5.715 1.00 95.68 C +ATOM 2224 O ARG A 278 -7.824 13.669 -6.786 1.00 95.34 O +ATOM 2225 CB ARG A 278 -9.376 11.060 -5.830 1.00 95.78 C +ATOM 2226 CG ARG A 278 -10.659 10.224 -5.848 1.00 95.81 C +ATOM 2227 CD ARG A 278 -10.392 8.745 -6.078 1.00 95.56 C +ATOM 2228 NE ARG A 278 -11.595 8.065 -6.521 1.00 95.44 N +ATOM 2229 CZ ARG A 278 -11.689 7.023 -7.325 1.00 95.52 C +ATOM 2230 NH1 ARG A 278 -10.641 6.378 -7.733 1.00 94.87 N +ATOM 2231 NH2 ARG A 278 -12.849 6.624 -7.726 1.00 94.95 N1+ +ATOM 2232 N PRO A 279 -7.759 13.634 -4.553 1.00 96.04 N +ATOM 2233 CA PRO A 279 -6.437 14.258 -4.500 1.00 95.99 C +ATOM 2234 C PRO A 279 -5.380 13.319 -5.076 1.00 96.12 C +ATOM 2235 O PRO A 279 -5.545 12.103 -5.067 1.00 95.73 O +ATOM 2236 CB PRO A 279 -6.202 14.559 -3.016 1.00 95.69 C +ATOM 2237 CG PRO A 279 -7.027 13.486 -2.301 1.00 95.07 C +ATOM 2238 CD PRO A 279 -8.230 13.309 -3.221 1.00 95.74 C +ATOM 2239 N THR A 280 -4.273 13.855 -5.538 1.00 96.27 N +ATOM 2240 CA THR A 280 -3.087 13.050 -5.839 1.00 96.22 C +ATOM 2241 C THR A 280 -2.284 12.783 -4.568 1.00 96.32 C +ATOM 2242 O THR A 280 -2.457 13.459 -3.552 1.00 96.06 O +ATOM 2243 CB THR A 280 -2.200 13.728 -6.892 1.00 95.97 C +ATOM 2244 OG1 THR A 280 -1.599 14.879 -6.359 1.00 95.49 O +ATOM 2245 CG2 THR A 280 -2.970 14.112 -8.149 1.00 95.40 C +ATOM 2246 N PHE A 281 -1.353 11.840 -4.602 1.00 96.34 N +ATOM 2247 CA PHE A 281 -0.433 11.638 -3.478 1.00 96.35 C +ATOM 2248 C PHE A 281 0.441 12.866 -3.215 1.00 96.32 C +ATOM 2249 O PHE A 281 0.650 13.202 -2.057 1.00 96.08 O +ATOM 2250 CB PHE A 281 0.415 10.393 -3.728 1.00 96.39 C +ATOM 2251 CG PHE A 281 -0.362 9.107 -3.538 1.00 96.56 C +ATOM 2252 CD1 PHE A 281 -0.863 8.770 -2.268 1.00 96.30 C +ATOM 2253 CD2 PHE A 281 -0.593 8.231 -4.619 1.00 96.33 C +ATOM 2254 CE1 PHE A 281 -1.597 7.583 -2.076 1.00 96.08 C +ATOM 2255 CE2 PHE A 281 -1.323 7.038 -4.430 1.00 96.10 C +ATOM 2256 CZ PHE A 281 -1.830 6.715 -3.161 1.00 96.10 C +ATOM 2257 N GLU A 282 0.845 13.583 -4.256 1.00 96.38 N +ATOM 2258 CA GLU A 282 1.564 14.861 -4.091 1.00 96.13 C +ATOM 2259 C GLU A 282 0.736 15.906 -3.349 1.00 96.31 C +ATOM 2260 O GLU A 282 1.273 16.655 -2.526 1.00 95.67 O +ATOM 2261 CB GLU A 282 1.977 15.430 -5.449 1.00 95.32 C +ATOM 2262 CG GLU A 282 3.159 14.690 -6.075 1.00 88.27 C +ATOM 2263 CD GLU A 282 3.734 15.407 -7.298 1.00 84.52 C +ATOM 2264 OE1 GLU A 282 4.944 15.239 -7.553 1.00 71.04 O +ATOM 2265 OE2 GLU A 282 2.962 16.148 -7.981 1.00 68.98 O +ATOM 2266 N ASN A 283 -0.567 15.938 -3.577 1.00 96.02 N +ATOM 2267 CA ASN A 283 -1.435 16.842 -2.835 1.00 95.96 C +ATOM 2268 C ASN A 283 -1.625 16.396 -1.382 1.00 96.12 C +ATOM 2269 O ASN A 283 -1.782 17.250 -0.503 1.00 95.72 O +ATOM 2270 CB ASN A 283 -2.811 16.932 -3.514 1.00 95.54 C +ATOM 2271 CG ASN A 283 -2.775 17.390 -4.964 1.00 93.98 C +ATOM 2272 OD1 ASN A 283 -3.458 16.817 -5.790 1.00 91.24 O +ATOM 2273 ND2 ASN A 283 -2.000 18.393 -5.309 1.00 87.99 N +ATOM 2274 N LEU A 284 -1.618 15.119 -1.135 1.00 96.13 N +ATOM 2275 CA LEU A 284 -1.840 14.543 0.193 1.00 96.17 C +ATOM 2276 C LEU A 284 -0.650 14.756 1.137 1.00 96.20 C +ATOM 2277 O LEU A 284 -0.870 15.002 2.325 1.00 95.95 O +ATOM 2278 CB LEU A 284 -2.150 13.051 0.059 1.00 96.21 C +ATOM 2279 CG LEU A 284 -3.542 12.749 -0.518 1.00 96.05 C +ATOM 2280 CD1 LEU A 284 -3.645 11.259 -0.850 1.00 95.69 C +ATOM 2281 CD2 LEU A 284 -4.650 13.081 0.487 1.00 95.51 C +ATOM 2282 N ILE A 285 0.566 14.734 0.622 1.00 96.17 N +ATOM 2283 CA ILE A 285 1.798 14.888 1.423 1.00 96.18 C +ATOM 2284 C ILE A 285 1.783 16.172 2.270 1.00 96.18 C +ATOM 2285 O ILE A 285 1.902 16.066 3.496 1.00 95.97 O +ATOM 2286 CB ILE A 285 3.049 14.798 0.527 1.00 96.05 C +ATOM 2287 CG1 ILE A 285 3.245 13.360 0.006 1.00 95.71 C +ATOM 2288 CG2 ILE A 285 4.315 15.231 1.293 1.00 95.60 C +ATOM 2289 CD1 ILE A 285 4.134 13.311 -1.247 1.00 94.65 C +ATOM 2290 N PRO A 286 1.642 17.386 1.713 1.00 95.85 N +ATOM 2291 CA PRO A 286 1.665 18.611 2.505 1.00 95.68 C +ATOM 2292 C PRO A 286 0.479 18.712 3.468 1.00 95.75 C +ATOM 2293 O PRO A 286 0.636 19.232 4.581 1.00 95.27 O +ATOM 2294 CB PRO A 286 1.676 19.754 1.484 1.00 95.30 C +ATOM 2295 CG PRO A 286 1.034 19.142 0.246 1.00 94.48 C +ATOM 2296 CD PRO A 286 1.503 17.696 0.303 1.00 95.22 C +ATOM 2297 N ILE A 287 -0.676 18.165 3.098 1.00 95.87 N +ATOM 2298 CA ILE A 287 -1.859 18.132 3.963 1.00 95.76 C +ATOM 2299 C ILE A 287 -1.574 17.264 5.189 1.00 95.85 C +ATOM 2300 O ILE A 287 -1.730 17.728 6.323 1.00 95.52 O +ATOM 2301 CB ILE A 287 -3.099 17.629 3.182 1.00 95.44 C +ATOM 2302 CG1 ILE A 287 -3.449 18.611 2.036 1.00 94.26 C +ATOM 2303 CG2 ILE A 287 -4.307 17.476 4.127 1.00 93.81 C +ATOM 2304 CD1 ILE A 287 -4.485 18.067 1.048 1.00 91.42 C +ATOM 2305 N LEU A 288 -1.072 16.049 4.968 1.00 95.75 N +ATOM 2306 CA LEU A 288 -0.732 15.141 6.056 1.00 95.69 C +ATOM 2307 C LEU A 288 0.416 15.646 6.912 1.00 95.70 C +ATOM 2308 O LEU A 288 0.357 15.473 8.134 1.00 95.37 O +ATOM 2309 CB LEU A 288 -0.411 13.757 5.477 1.00 95.61 C +ATOM 2310 CG LEU A 288 -1.656 12.996 5.010 1.00 95.18 C +ATOM 2311 CD1 LEU A 288 -1.223 11.806 4.178 1.00 94.55 C +ATOM 2312 CD2 LEU A 288 -2.475 12.459 6.198 1.00 94.35 C +ATOM 2313 N LYS A 289 1.400 16.328 6.343 1.00 95.17 N +ATOM 2314 CA LYS A 289 2.452 17.041 7.100 1.00 95.05 C +ATOM 2315 C LYS A 289 1.865 18.029 8.082 1.00 95.17 C +ATOM 2316 O LYS A 289 2.192 17.980 9.265 1.00 94.60 O +ATOM 2317 CB LYS A 289 3.425 17.743 6.144 1.00 94.26 C +ATOM 2318 CG LYS A 289 4.738 16.988 6.070 1.00 90.07 C +ATOM 2319 CD LYS A 289 5.709 17.604 5.055 1.00 86.17 C +ATOM 2320 CE LYS A 289 7.028 16.841 5.132 1.00 79.75 C +ATOM 2321 NZ LYS A 289 7.918 17.097 3.974 1.00 73.25 N1+ +ATOM 2322 N THR A 290 0.994 18.883 7.601 1.00 95.02 N +ATOM 2323 CA THR A 290 0.339 19.904 8.425 1.00 94.90 C +ATOM 2324 C THR A 290 -0.494 19.285 9.538 1.00 95.01 C +ATOM 2325 O THR A 290 -0.419 19.709 10.686 1.00 94.32 O +ATOM 2326 CB THR A 290 -0.549 20.810 7.559 1.00 94.34 C +ATOM 2327 OG1 THR A 290 0.222 21.383 6.530 1.00 91.72 O +ATOM 2328 CG2 THR A 290 -1.188 21.941 8.346 1.00 90.47 C +ATOM 2329 N VAL A 291 -1.271 18.265 9.220 1.00 94.69 N +ATOM 2330 CA VAL A 291 -2.109 17.572 10.208 1.00 94.59 C +ATOM 2331 C VAL A 291 -1.234 16.838 11.227 1.00 94.59 C +ATOM 2332 O VAL A 291 -1.477 16.951 12.430 1.00 93.99 O +ATOM 2333 CB VAL A 291 -3.118 16.649 9.511 1.00 94.09 C +ATOM 2334 CG1 VAL A 291 -4.080 17.435 8.619 1.00 92.21 C +ATOM 2335 CG2 VAL A 291 -3.993 15.918 10.522 1.00 91.90 C +ATOM 2336 N HIS A 292 -0.196 16.158 10.788 1.00 94.84 N +ATOM 2337 CA HIS A 292 0.758 15.491 11.671 1.00 94.68 C +ATOM 2338 C HIS A 292 1.410 16.449 12.653 1.00 94.53 C +ATOM 2339 O HIS A 292 1.421 16.190 13.862 1.00 93.78 O +ATOM 2340 CB HIS A 292 1.798 14.758 10.831 1.00 94.35 C +ATOM 2341 CG HIS A 292 2.974 14.277 11.640 1.00 93.46 C +ATOM 2342 ND1 HIS A 292 2.907 13.418 12.719 1.00 89.51 N1+ +ATOM 2343 CD2 HIS A 292 4.275 14.647 11.509 1.00 88.75 C +ATOM 2344 CE1 HIS A 292 4.145 13.278 13.227 1.00 88.71 C +ATOM 2345 NE2 HIS A 292 4.991 14.009 12.501 1.00 90.35 N +ATOM 2346 N GLU A 293 1.914 17.590 12.184 1.00 93.21 N +ATOM 2347 CA GLU A 293 2.505 18.624 13.057 1.00 92.89 C +ATOM 2348 C GLU A 293 1.522 19.146 14.086 1.00 92.90 C +ATOM 2349 O GLU A 293 1.865 19.220 15.273 1.00 92.07 O +ATOM 2350 CB GLU A 293 3.033 19.782 12.217 1.00 91.48 C +ATOM 2351 CG GLU A 293 4.340 19.416 11.514 1.00 82.25 C +ATOM 2352 CD GLU A 293 4.953 20.549 10.694 1.00 77.79 C +ATOM 2353 OE1 GLU A 293 6.084 20.364 10.203 1.00 66.96 O +ATOM 2354 OE2 GLU A 293 4.277 21.601 10.551 1.00 63.48 O +ATOM 2355 N LYS A 294 0.296 19.379 13.691 1.00 93.18 N +ATOM 2356 CA LYS A 294 -0.773 19.821 14.579 1.00 93.12 C +ATOM 2357 C LYS A 294 -1.005 18.864 15.742 1.00 93.20 C +ATOM 2358 O LYS A 294 -1.104 19.295 16.884 1.00 92.28 O +ATOM 2359 CB LYS A 294 -2.048 20.020 13.752 1.00 92.47 C +ATOM 2360 CG LYS A 294 -3.250 20.497 14.567 1.00 89.42 C +ATOM 2361 CD LYS A 294 -4.471 20.575 13.637 1.00 86.75 C +ATOM 2362 CE LYS A 294 -5.757 20.876 14.413 1.00 81.57 C +ATOM 2363 NZ LYS A 294 -6.922 20.759 13.501 1.00 72.90 N1+ +ATOM 2364 N TYR A 295 -1.044 17.576 15.477 1.00 93.12 N +ATOM 2365 CA TYR A 295 -1.304 16.573 16.521 1.00 93.27 C +ATOM 2366 C TYR A 295 -0.046 16.165 17.302 1.00 93.06 C +ATOM 2367 O TYR A 295 -0.164 15.721 18.432 1.00 91.93 O +ATOM 2368 CB TYR A 295 -1.999 15.369 15.914 1.00 93.10 C +ATOM 2369 CG TYR A 295 -3.446 15.663 15.568 1.00 93.25 C +ATOM 2370 CD1 TYR A 295 -4.408 15.763 16.577 1.00 92.40 C +ATOM 2371 CD2 TYR A 295 -3.823 15.865 14.233 1.00 92.10 C +ATOM 2372 CE1 TYR A 295 -5.721 16.126 16.249 1.00 91.25 C +ATOM 2373 CE2 TYR A 295 -5.142 16.212 13.906 1.00 91.77 C +ATOM 2374 CZ TYR A 295 -6.073 16.367 14.919 1.00 91.99 C +ATOM 2375 OH TYR A 295 -7.351 16.768 14.620 1.00 90.44 O +ATOM 2376 N ARG A 296 1.133 16.356 16.747 1.00 89.42 N +ATOM 2377 CA ARG A 296 2.401 16.130 17.449 1.00 88.26 C +ATOM 2378 C ARG A 296 2.594 17.102 18.616 1.00 87.53 C +ATOM 2379 O ARG A 296 3.062 16.688 19.675 1.00 85.38 O +ATOM 2380 CB ARG A 296 3.562 16.231 16.465 1.00 86.68 C +ATOM 2381 CG ARG A 296 4.835 15.621 17.038 1.00 80.95 C +ATOM 2382 CD ARG A 296 6.006 15.742 16.062 1.00 80.14 C +ATOM 2383 NE ARG A 296 6.565 17.095 16.088 1.00 76.30 N +ATOM 2384 CZ ARG A 296 7.657 17.520 15.464 1.00 71.32 C +ATOM 2385 NH1 ARG A 296 8.304 16.710 14.674 1.00 66.19 N +ATOM 2386 NH2 ARG A 296 8.095 18.709 15.599 1.00 64.36 N1+ +ATOM 2387 N HIS A 297 2.236 18.359 18.457 1.00 80.49 N +ATOM 2388 CA HIS A 297 2.398 19.380 19.501 1.00 80.13 C +ATOM 2389 C HIS A 297 1.432 19.200 20.673 1.00 79.94 C +ATOM 2390 O HIS A 297 1.785 19.557 21.799 1.00 76.21 O +ATOM 2391 CB HIS A 297 2.291 20.756 18.883 1.00 76.87 C +ATOM 2392 CG HIS A 297 3.505 21.104 18.082 1.00 73.78 C +ATOM 2393 ND1 HIS A 297 4.817 21.207 18.587 1.00 64.17 N1+ +ATOM 2394 CD2 HIS A 297 3.599 21.399 16.732 1.00 64.96 C +ATOM 2395 CE1 HIS A 297 5.629 21.514 17.569 1.00 63.71 C +ATOM 2396 NE2 HIS A 297 4.912 21.672 16.435 1.00 63.55 N +ATOM 2397 N HIS A 298 0.280 18.584 20.451 1.00 72.16 N +ATOM 2398 CA HIS A 298 -0.669 18.337 21.565 1.00 71.18 C +ATOM 2399 C HIS A 298 -0.188 17.287 22.571 1.00 71.29 C +ATOM 2400 O HIS A 298 -0.625 17.340 23.708 1.00 67.39 O +ATOM 2401 CB HIS A 298 -2.018 17.951 20.968 1.00 66.70 C +ATOM 2402 CG HIS A 298 -2.782 19.138 20.455 1.00 65.05 C +ATOM 2403 ND1 HIS A 298 -3.155 20.231 21.220 1.00 54.21 N1+ +ATOM 2404 CD2 HIS A 298 -3.246 19.365 19.187 1.00 54.66 C +ATOM 2405 CE1 HIS A 298 -3.821 21.092 20.431 1.00 52.24 C +ATOM 2406 NE2 HIS A 298 -3.886 20.603 19.193 1.00 55.37 N +ATOM 2407 N HIS A 299 0.722 16.417 22.201 1.00 63.88 N +ATOM 2408 CA HIS A 299 1.260 15.407 23.141 1.00 63.32 C +ATOM 2409 C HIS A 299 2.410 15.896 24.042 1.00 63.58 C +ATOM 2410 O HIS A 299 2.816 15.165 24.940 1.00 58.83 O +ATOM 2411 CB HIS A 299 1.667 14.158 22.367 1.00 58.84 C +ATOM 2412 CG HIS A 299 0.510 13.215 22.153 1.00 56.35 C +ATOM 2413 ND1 HIS A 299 -0.173 12.559 23.184 1.00 48.26 N1+ +ATOM 2414 CD2 HIS A 299 -0.052 12.809 20.987 1.00 48.65 C +ATOM 2415 CE1 HIS A 299 -1.117 11.799 22.646 1.00 46.71 C +ATOM 2416 NE2 HIS A 299 -1.087 11.931 21.291 1.00 49.06 N +ATOM 2417 N HIS A 300 2.935 17.098 23.814 1.00 57.03 N +ATOM 2418 CA HIS A 300 3.976 17.685 24.684 1.00 54.97 C +ATOM 2419 C HIS A 300 3.435 18.625 25.744 1.00 56.01 C +ATOM 2420 O HIS A 300 4.211 19.198 26.503 1.00 52.52 O +ATOM 2421 CB HIS A 300 5.043 18.351 23.814 1.00 50.65 C +ATOM 2422 CG HIS A 300 5.974 17.357 23.152 1.00 47.37 C +ATOM 2423 ND1 HIS A 300 6.526 16.228 23.760 1.00 41.68 N1+ +ATOM 2424 CD2 HIS A 300 6.500 17.422 21.890 1.00 40.94 C +ATOM 2425 CE1 HIS A 300 7.340 15.622 22.890 1.00 37.86 C +ATOM 2426 NE2 HIS A 300 7.333 16.330 21.722 1.00 41.77 N +ATOM 2427 N HIS A 301 2.144 18.805 25.836 1.00 59.39 N +ATOM 2428 CA HIS A 301 1.499 19.727 26.778 1.00 57.52 C +ATOM 2429 C HIS A 301 0.581 19.034 27.790 1.00 57.59 C +ATOM 2430 O HIS A 301 -0.196 19.706 28.449 1.00 52.99 O +ATOM 2431 CB HIS A 301 0.778 20.831 26.002 1.00 53.06 C +ATOM 2432 CG HIS A 301 1.730 21.831 25.417 1.00 50.15 C +ATOM 2433 ND1 HIS A 301 2.632 22.562 26.117 1.00 43.76 N1+ +ATOM 2434 CD2 HIS A 301 1.826 22.248 24.108 1.00 42.83 C +ATOM 2435 CE1 HIS A 301 3.278 23.391 25.303 1.00 39.98 C +ATOM 2436 NE2 HIS A 301 2.812 23.212 24.051 1.00 42.17 N +ATOM 2437 N HIS A 302 0.640 17.725 27.925 1.00 51.93 N +ATOM 2438 CA HIS A 302 -0.070 16.965 28.956 1.00 49.31 C +ATOM 2439 C HIS A 302 0.871 16.035 29.730 1.00 49.02 C +ATOM 2440 O HIS A 302 1.743 15.439 29.089 1.00 43.92 O +ATOM 2441 CB HIS A 302 -1.226 16.184 28.330 1.00 44.86 C +ATOM 2442 CG HIS A 302 -2.430 17.046 28.028 1.00 42.15 C +ATOM 2443 ND1 HIS A 302 -3.044 17.846 28.928 1.00 37.02 N1+ +ATOM 2444 CD2 HIS A 302 -3.121 17.180 26.863 1.00 35.43 C +ATOM 2445 CE1 HIS A 302 -4.070 18.447 28.339 1.00 33.25 C +ATOM 2446 NE2 HIS A 302 -4.150 18.066 27.090 1.00 35.92 N +HETATM 2447 O1 LIG Z 1 6.686 -9.002 2.269 1.00 89.40 O +HETATM 2448 C1 LIG Z 1 5.953 -9.326 3.222 1.00 91.58 C +HETATM 2449 N1 LIG Z 1 6.394 -9.420 4.481 1.00 91.09 N +HETATM 2450 C2 LIG Z 1 7.662 -9.085 4.961 1.00 93.38 C +HETATM 2451 C3 LIG Z 1 8.701 -8.621 4.180 1.00 93.27 C +HETATM 2452 C4 LIG Z 1 9.901 -8.251 4.834 1.00 94.12 C +HETATM 2453 N2 LIG Z 1 10.018 -8.354 6.158 1.00 94.45 N +HETATM 2454 C5 LIG Z 1 8.971 -8.830 6.891 1.00 94.06 C +HETATM 2455 N3 LIG Z 1 9.114 -8.885 8.259 1.00 92.85 N +HETATM 2456 C6 LIG Z 1 8.292 -9.518 9.207 1.00 91.95 C +HETATM 2457 O2 LIG Z 1 7.238 -10.145 8.937 1.00 89.99 O +HETATM 2458 C7 LIG Z 1 8.763 -9.381 10.690 1.00 90.51 C +HETATM 2459 C8 LIG Z 1 7.780 -9.282 11.771 1.00 84.45 C +HETATM 2460 C9 LIG Z 1 8.399 -10.504 11.538 1.00 85.10 C +HETATM 2461 CL1 LIG Z 1 9.655 -11.003 12.329 1.00 81.39 CL +HETATM 2462 C10 LIG Z 1 7.775 -9.192 6.313 1.00 93.52 C +HETATM 2463 C11 LIG Z 1 4.547 -9.627 2.959 1.00 90.86 C +HETATM 2464 C12 LIG Z 1 3.710 -8.646 2.422 1.00 88.43 C +HETATM 2465 CL2 LIG Z 1 4.303 -7.062 2.139 1.00 87.36 CL +HETATM 2466 C13 LIG Z 1 2.364 -8.910 2.147 1.00 87.05 C +HETATM 2467 C14 LIG Z 1 1.836 -10.157 2.389 1.00 87.15 C +HETATM 2468 C15 LIG Z 1 2.646 -11.162 2.937 1.00 85.44 C +HETATM 2469 C16 LIG Z 1 3.989 -10.896 3.221 1.00 87.95 C +HETATM 2470 CL3 LIG Z 1 4.906 -12.138 3.933 1.00 85.82 CL +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2463 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 2462 +CONECT 2451 2450 2452 +CONECT 2452 2451 2453 +CONECT 2453 2452 2454 +CONECT 2454 2453 2455 2462 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2458 +CONECT 2457 2456 +CONECT 2458 2456 2459 2460 +CONECT 2459 2458 2460 +CONECT 2460 2459 2461 2458 +CONECT 2461 2460 +CONECT 2462 2454 2450 +CONECT 2463 2448 2464 2469 +CONECT 2464 2463 2465 2466 +CONECT 2465 2464 +CONECT 2466 2464 2467 +CONECT 2467 2466 2468 +CONECT 2468 2467 2469 +CONECT 2469 2468 2470 2463 +CONECT 2470 2469 diff --git a/cookbook/assets/of3_output/lig_jmc_28_seed_42_sample_1_model.pdb b/cookbook/assets/of3_output/lig_jmc_28_seed_42_sample_1_model.pdb new file mode 100644 index 0000000..ba7c34e --- /dev/null +++ b/cookbook/assets/of3_output/lig_jmc_28_seed_42_sample_1_model.pdb @@ -0,0 +1,3096 @@ +ATOM 1 N MET A 1 44.978 -10.487 -12.369 1.00 34.64 N +ATOM 2 CA MET A 1 43.617 -10.454 -12.901 1.00 30.87 C +ATOM 3 C MET A 1 42.722 -10.167 -11.679 1.00 31.85 C +ATOM 4 O MET A 1 42.741 -10.980 -10.731 1.00 29.53 O +ATOM 5 CB MET A 1 43.231 -11.823 -13.532 1.00 28.89 C +ATOM 6 CG MET A 1 43.939 -11.976 -14.908 1.00 27.19 C +ATOM 7 SD MET A 1 43.658 -13.632 -15.580 1.00 23.92 S +ATOM 8 CE MET A 1 44.382 -13.377 -17.240 1.00 21.72 C +ATOM 9 N GLY A 2 42.132 -9.026 -11.644 1.00 33.61 N +ATOM 10 CA GLY A 2 41.168 -8.764 -10.591 1.00 31.46 C +ATOM 11 C GLY A 2 39.972 -9.719 -10.691 1.00 33.84 C +ATOM 12 O GLY A 2 39.567 -10.022 -11.819 1.00 32.54 O +ATOM 13 N SER A 3 39.525 -10.269 -9.585 1.00 42.09 N +ATOM 14 CA SER A 3 38.257 -11.023 -9.606 1.00 41.48 C +ATOM 15 C SER A 3 37.179 -10.103 -10.182 1.00 42.72 C +ATOM 16 O SER A 3 37.078 -8.946 -9.742 1.00 40.81 O +ATOM 17 CB SER A 3 37.903 -11.451 -8.195 1.00 37.38 C +ATOM 18 OG SER A 3 38.909 -12.279 -7.649 1.00 35.29 O +ATOM 19 N PRO A 4 36.416 -10.579 -11.164 1.00 47.18 N +ATOM 20 CA PRO A 4 35.283 -9.767 -11.626 1.00 45.44 C +ATOM 21 C PRO A 4 34.469 -9.433 -10.399 1.00 47.73 C +ATOM 22 O PRO A 4 34.186 -10.331 -9.625 1.00 44.32 O +ATOM 23 CB PRO A 4 34.551 -10.636 -12.649 1.00 40.40 C +ATOM 24 CG PRO A 4 34.943 -12.069 -12.266 1.00 39.64 C +ATOM 25 CD PRO A 4 36.361 -11.934 -11.701 1.00 40.52 C +ATOM 26 N ALA A 5 34.205 -8.132 -10.201 1.00 54.61 N +ATOM 27 CA ALA A 5 33.430 -7.686 -9.063 1.00 54.40 C +ATOM 28 C ALA A 5 32.121 -8.467 -9.104 1.00 56.56 C +ATOM 29 O ALA A 5 31.368 -8.364 -10.061 1.00 53.10 O +ATOM 30 CB ALA A 5 33.216 -6.178 -9.123 1.00 48.06 C +ATOM 31 N SER A 6 31.870 -9.251 -8.082 1.00 67.92 N +ATOM 32 CA SER A 6 30.651 -10.019 -7.999 1.00 68.72 C +ATOM 33 C SER A 6 29.483 -9.032 -7.994 1.00 70.32 C +ATOM 34 O SER A 6 29.462 -8.134 -7.152 1.00 65.91 O +ATOM 35 CB SER A 6 30.648 -10.856 -6.725 1.00 63.01 C +ATOM 36 OG SER A 6 29.440 -11.583 -6.606 1.00 56.31 O +ATOM 37 N ASP A 7 28.552 -9.209 -8.909 1.00 78.25 N +ATOM 38 CA ASP A 7 27.372 -8.379 -8.950 1.00 79.78 C +ATOM 39 C ASP A 7 26.618 -8.528 -7.620 1.00 81.56 C +ATOM 40 O ASP A 7 26.155 -9.624 -7.302 1.00 80.48 O +ATOM 41 CB ASP A 7 26.493 -8.764 -10.151 1.00 76.76 C +ATOM 42 CG ASP A 7 25.176 -7.973 -10.256 1.00 74.14 C +ATOM 43 OD1 ASP A 7 24.834 -7.194 -9.336 1.00 66.54 O +ATOM 44 OD2 ASP A 7 24.484 -8.170 -11.278 1.00 68.71 O +ATOM 45 N PRO A 8 26.516 -7.456 -6.832 1.00 85.46 N +ATOM 46 CA PRO A 8 25.927 -7.539 -5.501 1.00 85.99 C +ATOM 47 C PRO A 8 24.417 -7.868 -5.528 1.00 86.96 C +ATOM 48 O PRO A 8 23.840 -8.194 -4.485 1.00 84.37 O +ATOM 49 CB PRO A 8 26.178 -6.175 -4.866 1.00 82.56 C +ATOM 50 CG PRO A 8 26.211 -5.237 -6.076 1.00 79.61 C +ATOM 51 CD PRO A 8 26.889 -6.092 -7.138 1.00 82.73 C +ATOM 52 N THR A 9 23.776 -7.803 -6.690 1.00 89.52 N +ATOM 53 CA THR A 9 22.387 -8.193 -6.887 1.00 90.04 C +ATOM 54 C THR A 9 22.199 -9.680 -7.185 1.00 90.48 C +ATOM 55 O THR A 9 21.074 -10.158 -7.280 1.00 88.62 O +ATOM 56 CB THR A 9 21.717 -7.351 -7.978 1.00 88.58 C +ATOM 57 OG1 THR A 9 22.178 -7.700 -9.272 1.00 86.14 O +ATOM 58 CG2 THR A 9 21.934 -5.847 -7.789 1.00 85.97 C +ATOM 59 N VAL A 10 23.264 -10.443 -7.337 1.00 91.54 N +ATOM 60 CA VAL A 10 23.208 -11.890 -7.552 1.00 91.72 C +ATOM 61 C VAL A 10 23.412 -12.610 -6.226 1.00 92.23 C +ATOM 62 O VAL A 10 24.514 -12.665 -5.699 1.00 91.25 O +ATOM 63 CB VAL A 10 24.208 -12.352 -8.625 1.00 90.29 C +ATOM 64 CG1 VAL A 10 23.896 -11.710 -9.965 1.00 85.31 C +ATOM 65 CG2 VAL A 10 24.146 -13.876 -8.807 1.00 85.35 C +ATOM 66 N PHE A 11 22.375 -13.197 -5.738 1.00 92.55 N +ATOM 67 CA PHE A 11 22.410 -14.002 -4.512 1.00 92.87 C +ATOM 68 C PHE A 11 22.583 -15.484 -4.849 1.00 92.89 C +ATOM 69 O PHE A 11 21.911 -16.045 -5.713 1.00 92.24 O +ATOM 70 CB PHE A 11 21.131 -13.750 -3.696 1.00 92.94 C +ATOM 71 CG PHE A 11 21.156 -12.430 -2.982 1.00 93.72 C +ATOM 72 CD1 PHE A 11 21.368 -12.384 -1.592 1.00 92.83 C +ATOM 73 CD2 PHE A 11 20.989 -11.230 -3.694 1.00 92.61 C +ATOM 74 CE1 PHE A 11 21.425 -11.149 -0.921 1.00 92.04 C +ATOM 75 CE2 PHE A 11 21.048 -9.991 -3.044 1.00 92.52 C +ATOM 76 CZ PHE A 11 21.267 -9.956 -1.647 1.00 92.62 C +ATOM 77 N HIS A 12 23.484 -16.130 -4.167 1.00 91.59 N +ATOM 78 CA HIS A 12 23.741 -17.550 -4.382 1.00 91.51 C +ATOM 79 C HIS A 12 22.974 -18.405 -3.377 1.00 91.79 C +ATOM 80 O HIS A 12 23.185 -18.294 -2.169 1.00 90.70 O +ATOM 81 CB HIS A 12 25.244 -17.812 -4.314 1.00 90.24 C +ATOM 82 CG HIS A 12 25.999 -17.128 -5.414 1.00 88.41 C +ATOM 83 ND1 HIS A 12 25.973 -17.512 -6.743 1.00 80.44 N1+ +ATOM 84 CD2 HIS A 12 26.802 -16.045 -5.305 1.00 79.55 C +ATOM 85 CE1 HIS A 12 26.788 -16.677 -7.411 1.00 78.97 C +ATOM 86 NE2 HIS A 12 27.296 -15.765 -6.564 1.00 80.16 N +ATOM 87 N LYS A 13 22.201 -19.312 -3.885 1.00 90.47 N +ATOM 88 CA LYS A 13 21.336 -20.178 -3.065 1.00 90.69 C +ATOM 89 C LYS A 13 22.095 -20.959 -1.988 1.00 91.30 C +ATOM 90 O LYS A 13 21.561 -21.171 -0.910 1.00 89.83 O +ATOM 91 CB LYS A 13 20.553 -21.110 -4.011 1.00 88.48 C +ATOM 92 CG LYS A 13 19.407 -21.854 -3.315 1.00 77.63 C +ATOM 93 CD LYS A 13 18.492 -22.524 -4.344 1.00 73.35 C +ATOM 94 CE LYS A 13 17.255 -23.150 -3.685 1.00 66.95 C +ATOM 95 NZ LYS A 13 16.212 -23.517 -4.681 1.00 60.39 N1+ +ATOM 96 N ARG A 14 23.344 -21.317 -2.256 1.00 89.88 N +ATOM 97 CA ARG A 14 24.196 -22.017 -1.282 1.00 89.61 C +ATOM 98 C ARG A 14 24.498 -21.229 0.006 1.00 90.07 C +ATOM 99 O ARG A 14 24.832 -21.838 0.994 1.00 88.39 O +ATOM 100 CB ARG A 14 25.492 -22.458 -1.953 1.00 88.04 C +ATOM 101 CG ARG A 14 26.378 -21.280 -2.379 1.00 82.09 C +ATOM 102 CD ARG A 14 27.678 -21.769 -3.047 1.00 78.63 C +ATOM 103 NE ARG A 14 28.498 -20.640 -3.458 1.00 73.38 N +ATOM 104 CZ ARG A 14 28.544 -20.078 -4.656 1.00 68.03 C +ATOM 105 NH1 ARG A 14 27.738 -20.446 -5.610 1.00 62.28 N +ATOM 106 NH2 ARG A 14 29.357 -19.096 -4.895 1.00 61.59 N1+ +ATOM 107 N TYR A 15 24.392 -19.895 -0.064 1.00 91.26 N +ATOM 108 CA TYR A 15 24.625 -19.022 1.086 1.00 91.50 C +ATOM 109 C TYR A 15 23.334 -18.547 1.751 1.00 91.84 C +ATOM 110 O TYR A 15 23.386 -17.848 2.742 1.00 90.85 O +ATOM 111 CB TYR A 15 25.460 -17.814 0.629 1.00 91.01 C +ATOM 112 CG TYR A 15 26.787 -18.159 -0.001 1.00 90.74 C +ATOM 113 CD1 TYR A 15 27.686 -19.043 0.639 1.00 88.25 C +ATOM 114 CD2 TYR A 15 27.149 -17.576 -1.222 1.00 87.66 C +ATOM 115 CE1 TYR A 15 28.941 -19.342 0.073 1.00 86.41 C +ATOM 116 CE2 TYR A 15 28.415 -17.858 -1.795 1.00 87.15 C +ATOM 117 CZ TYR A 15 29.285 -18.731 -1.143 1.00 87.46 C +ATOM 118 OH TYR A 15 30.519 -18.999 -1.682 1.00 85.41 O +ATOM 119 N LEU A 16 22.181 -18.900 1.207 1.00 91.91 N +ATOM 120 CA LEU A 16 20.883 -18.612 1.772 1.00 92.27 C +ATOM 121 C LEU A 16 20.468 -19.732 2.738 1.00 92.18 C +ATOM 122 O LEU A 16 20.177 -20.850 2.320 1.00 91.00 O +ATOM 123 CB LEU A 16 19.839 -18.415 0.651 1.00 91.83 C +ATOM 124 CG LEU A 16 19.915 -17.065 -0.071 1.00 90.22 C +ATOM 125 CD1 LEU A 16 19.013 -17.082 -1.295 1.00 89.18 C +ATOM 126 CD2 LEU A 16 19.456 -15.931 0.837 1.00 88.60 C +ATOM 127 N LYS A 17 20.406 -19.429 4.009 1.00 92.55 N +ATOM 128 CA LYS A 17 19.947 -20.344 5.061 1.00 92.27 C +ATOM 129 C LYS A 17 18.544 -19.910 5.504 1.00 92.43 C +ATOM 130 O LYS A 17 18.381 -18.834 6.104 1.00 91.32 O +ATOM 131 CB LYS A 17 20.941 -20.304 6.225 1.00 90.87 C +ATOM 132 CG LYS A 17 22.307 -20.841 5.813 1.00 84.58 C +ATOM 133 CD LYS A 17 23.355 -20.664 6.918 1.00 80.89 C +ATOM 134 CE LYS A 17 24.728 -21.105 6.406 1.00 75.72 C +ATOM 135 NZ LYS A 17 25.856 -20.650 7.245 1.00 67.09 N1+ +ATOM 136 N LYS A 18 17.563 -20.698 5.204 1.00 91.82 N +ATOM 137 CA LYS A 18 16.183 -20.426 5.608 1.00 91.85 C +ATOM 138 C LYS A 18 16.044 -20.471 7.129 1.00 91.81 C +ATOM 139 O LYS A 18 16.470 -21.427 7.734 1.00 90.81 O +ATOM 140 CB LYS A 18 15.215 -21.401 4.924 1.00 91.11 C +ATOM 141 CG LYS A 18 13.750 -21.025 5.218 1.00 88.06 C +ATOM 142 CD LYS A 18 12.739 -21.924 4.471 1.00 86.00 C +ATOM 143 CE LYS A 18 11.346 -21.475 4.883 1.00 81.90 C +ATOM 144 NZ LYS A 18 10.245 -22.204 4.198 1.00 76.86 N1+ +ATOM 145 N ILE A 19 15.375 -19.444 7.671 1.00 92.12 N +ATOM 146 CA ILE A 19 15.078 -19.334 9.095 1.00 92.18 C +ATOM 147 C ILE A 19 13.632 -19.693 9.367 1.00 92.24 C +ATOM 148 O ILE A 19 13.334 -20.571 10.177 1.00 91.53 O +ATOM 149 CB ILE A 19 15.453 -17.927 9.623 1.00 91.64 C +ATOM 150 CG1 ILE A 19 16.958 -17.643 9.394 1.00 89.79 C +ATOM 151 CG2 ILE A 19 15.093 -17.787 11.110 1.00 88.90 C +ATOM 152 CD1 ILE A 19 17.393 -16.245 9.801 1.00 84.97 C +ATOM 153 N ARG A 20 12.695 -19.022 8.695 1.00 90.23 N +ATOM 154 CA ARG A 20 11.252 -19.252 8.877 1.00 89.79 C +ATOM 155 C ARG A 20 10.454 -18.676 7.717 1.00 90.20 C +ATOM 156 O ARG A 20 10.935 -17.821 6.985 1.00 89.14 O +ATOM 157 CB ARG A 20 10.776 -18.632 10.199 1.00 88.52 C +ATOM 158 CG ARG A 20 10.934 -17.104 10.284 1.00 84.28 C +ATOM 159 CD ARG A 20 10.513 -16.589 11.661 1.00 81.43 C +ATOM 160 NE ARG A 20 10.565 -15.128 11.704 1.00 78.19 N +ATOM 161 CZ ARG A 20 10.495 -14.345 12.776 1.00 75.56 C +ATOM 162 NH1 ARG A 20 10.411 -14.849 13.971 1.00 71.42 N +ATOM 163 NH2 ARG A 20 10.544 -13.076 12.671 1.00 70.59 N1+ +ATOM 164 N ASP A 21 9.195 -19.064 7.620 1.00 90.54 N +ATOM 165 CA ASP A 21 8.245 -18.407 6.727 1.00 90.90 C +ATOM 166 C ASP A 21 7.751 -17.122 7.364 1.00 91.14 C +ATOM 167 O ASP A 21 7.548 -17.046 8.582 1.00 90.09 O +ATOM 168 CB ASP A 21 7.107 -19.382 6.412 1.00 89.89 C +ATOM 169 CG ASP A 21 7.620 -20.615 5.666 1.00 87.07 C +ATOM 170 OD1 ASP A 21 8.529 -20.480 4.830 1.00 82.39 O +ATOM 171 OD2 ASP A 21 7.093 -21.729 5.895 1.00 80.61 O +ATOM 172 N LEU A 22 7.575 -16.102 6.532 1.00 90.92 N +ATOM 173 CA LEU A 22 7.039 -14.797 6.920 1.00 91.01 C +ATOM 174 C LEU A 22 5.579 -14.633 6.507 1.00 90.74 C +ATOM 175 O LEU A 22 4.832 -13.921 7.173 1.00 89.86 O +ATOM 176 CB LEU A 22 7.895 -13.673 6.306 1.00 91.43 C +ATOM 177 CG LEU A 22 9.351 -13.625 6.792 1.00 92.13 C +ATOM 178 CD1 LEU A 22 10.089 -12.501 6.074 1.00 91.57 C +ATOM 179 CD2 LEU A 22 9.445 -13.372 8.295 1.00 91.09 C +ATOM 180 N GLY A 23 5.167 -15.265 5.431 1.00 85.72 N +ATOM 181 CA GLY A 23 3.796 -15.233 4.941 1.00 84.92 C +ATOM 182 C GLY A 23 3.695 -15.520 3.450 1.00 85.34 C +ATOM 183 O GLY A 23 4.662 -15.897 2.807 1.00 84.33 O +ATOM 184 N GLU A 24 2.520 -15.311 2.918 1.00 81.12 N +ATOM 185 CA GLU A 24 2.258 -15.412 1.490 1.00 81.23 C +ATOM 186 C GLU A 24 1.833 -14.058 0.945 1.00 81.36 C +ATOM 187 O GLU A 24 0.962 -13.380 1.510 1.00 78.15 O +ATOM 188 CB GLU A 24 1.226 -16.485 1.169 1.00 78.51 C +ATOM 189 CG GLU A 24 1.692 -17.887 1.580 1.00 73.52 C +ATOM 190 CD GLU A 24 0.871 -19.031 0.974 1.00 70.63 C +ATOM 191 OE1 GLU A 24 1.315 -20.210 1.085 1.00 60.07 O +ATOM 192 OE2 GLU A 24 -0.182 -18.751 0.361 1.00 59.82 O +ATOM 193 N GLY A 25 2.440 -13.637 -0.146 1.00 80.20 N +ATOM 194 CA GLY A 25 2.049 -12.499 -0.949 1.00 80.25 C +ATOM 195 C GLY A 25 1.422 -12.943 -2.265 1.00 82.11 C +ATOM 196 O GLY A 25 1.167 -14.135 -2.479 1.00 79.09 O +ATOM 197 N HIS A 26 1.183 -11.993 -3.168 1.00 78.40 N +ATOM 198 CA HIS A 26 0.737 -12.349 -4.509 1.00 77.91 C +ATOM 199 C HIS A 26 1.800 -13.198 -5.220 1.00 78.77 C +ATOM 200 O HIS A 26 2.997 -12.943 -5.105 1.00 75.45 O +ATOM 201 CB HIS A 26 0.384 -11.089 -5.299 1.00 74.64 C +ATOM 202 CG HIS A 26 -0.959 -11.206 -5.931 1.00 74.17 C +ATOM 203 ND1 HIS A 26 -1.212 -11.773 -7.168 1.00 61.37 N1+ +ATOM 204 CD2 HIS A 26 -2.170 -10.820 -5.396 1.00 63.59 C +ATOM 205 CE1 HIS A 26 -2.546 -11.734 -7.391 1.00 62.29 C +ATOM 206 NE2 HIS A 26 -3.153 -11.163 -6.329 1.00 62.77 N +ATOM 207 N PHE A 27 1.387 -14.216 -5.933 1.00 78.12 N +ATOM 208 CA PHE A 27 2.200 -15.165 -6.708 1.00 79.08 C +ATOM 209 C PHE A 27 3.162 -16.073 -5.942 1.00 79.43 C +ATOM 210 O PHE A 27 3.697 -17.004 -6.547 1.00 72.96 O +ATOM 211 CB PHE A 27 2.945 -14.444 -7.829 1.00 74.19 C +ATOM 212 CG PHE A 27 2.086 -13.511 -8.646 1.00 75.87 C +ATOM 213 CD1 PHE A 27 0.970 -14.006 -9.329 1.00 69.46 C +ATOM 214 CD2 PHE A 27 2.381 -12.142 -8.704 1.00 71.04 C +ATOM 215 CE1 PHE A 27 0.145 -13.140 -10.068 1.00 65.77 C +ATOM 216 CE2 PHE A 27 1.566 -11.278 -9.461 1.00 68.92 C +ATOM 217 CZ PHE A 27 0.449 -11.780 -10.139 1.00 68.71 C +ATOM 218 N GLY A 28 3.404 -15.858 -4.656 1.00 81.16 N +ATOM 219 CA GLY A 28 4.431 -16.631 -3.978 1.00 81.73 C +ATOM 220 C GLY A 28 4.443 -16.550 -2.472 1.00 83.19 C +ATOM 221 O GLY A 28 3.585 -15.953 -1.840 1.00 81.05 O +ATOM 222 N LYS A 29 5.441 -17.166 -1.915 1.00 88.06 N +ATOM 223 CA LYS A 29 5.704 -17.247 -0.497 1.00 88.61 C +ATOM 224 C LYS A 29 6.921 -16.406 -0.126 1.00 89.31 C +ATOM 225 O LYS A 29 7.936 -16.486 -0.818 1.00 87.48 O +ATOM 226 CB LYS A 29 5.884 -18.710 -0.129 1.00 86.31 C +ATOM 227 CG LYS A 29 5.903 -18.930 1.380 1.00 78.61 C +ATOM 228 CD LYS A 29 6.046 -20.405 1.702 1.00 73.43 C +ATOM 229 CE LYS A 29 5.731 -20.616 3.172 1.00 67.57 C +ATOM 230 NZ LYS A 29 5.945 -22.014 3.618 1.00 61.94 N1+ +ATOM 231 N VAL A 30 6.845 -15.655 0.955 1.00 91.80 N +ATOM 232 CA VAL A 30 7.965 -14.891 1.505 1.00 92.01 C +ATOM 233 C VAL A 30 8.506 -15.606 2.734 1.00 92.08 C +ATOM 234 O VAL A 30 7.764 -15.983 3.631 1.00 91.48 O +ATOM 235 CB VAL A 30 7.566 -13.443 1.824 1.00 91.53 C +ATOM 236 CG1 VAL A 30 6.943 -12.752 0.613 1.00 90.60 C +ATOM 237 CG2 VAL A 30 8.787 -12.622 2.249 1.00 90.42 C +ATOM 238 N SER A 31 9.803 -15.776 2.772 1.00 93.58 N +ATOM 239 CA SER A 31 10.510 -16.409 3.882 1.00 93.57 C +ATOM 240 C SER A 31 11.693 -15.558 4.337 1.00 93.77 C +ATOM 241 O SER A 31 12.333 -14.895 3.521 1.00 93.06 O +ATOM 242 CB SER A 31 10.987 -17.795 3.493 1.00 92.89 C +ATOM 243 OG SER A 31 9.922 -18.642 3.065 1.00 90.14 O +ATOM 244 N LEU A 32 11.994 -15.579 5.606 1.00 93.60 N +ATOM 245 CA LEU A 32 13.210 -15.012 6.166 1.00 93.76 C +ATOM 246 C LEU A 32 14.384 -15.970 5.926 1.00 93.78 C +ATOM 247 O LEU A 32 14.300 -17.152 6.263 1.00 93.31 O +ATOM 248 CB LEU A 32 12.997 -14.751 7.661 1.00 93.61 C +ATOM 249 CG LEU A 32 14.234 -14.191 8.402 1.00 92.90 C +ATOM 250 CD1 LEU A 32 13.910 -14.057 9.895 1.00 92.24 C +ATOM 251 CD2 LEU A 32 14.626 -12.807 7.890 1.00 92.10 C +ATOM 252 N TYR A 33 15.456 -15.422 5.401 1.00 93.98 N +ATOM 253 CA TYR A 33 16.727 -16.114 5.242 1.00 93.96 C +ATOM 254 C TYR A 33 17.844 -15.295 5.865 1.00 94.03 C +ATOM 255 O TYR A 33 17.808 -14.084 5.902 1.00 93.59 O +ATOM 256 CB TYR A 33 17.003 -16.358 3.752 1.00 93.60 C +ATOM 257 CG TYR A 33 16.190 -17.463 3.114 1.00 93.26 C +ATOM 258 CD1 TYR A 33 16.787 -18.677 2.801 1.00 92.06 C +ATOM 259 CD2 TYR A 33 14.833 -17.251 2.788 1.00 91.88 C +ATOM 260 CE1 TYR A 33 16.045 -19.698 2.178 1.00 90.97 C +ATOM 261 CE2 TYR A 33 14.075 -18.260 2.174 1.00 90.96 C +ATOM 262 CZ TYR A 33 14.701 -19.492 1.873 1.00 91.18 C +ATOM 263 OH TYR A 33 13.972 -20.496 1.251 1.00 90.15 O +ATOM 264 N CYS A 34 18.885 -15.974 6.290 1.00 93.54 N +ATOM 265 CA CYS A 34 20.196 -15.391 6.485 1.00 93.57 C +ATOM 266 C CYS A 34 21.025 -15.607 5.214 1.00 93.68 C +ATOM 267 O CYS A 34 21.150 -16.760 4.766 1.00 92.72 O +ATOM 268 CB CYS A 34 20.842 -16.041 7.703 1.00 92.43 C +ATOM 269 SG CYS A 34 22.454 -15.304 8.061 1.00 88.46 S +ATOM 270 N TYR A 35 21.566 -14.545 4.619 1.00 92.15 N +ATOM 271 CA TYR A 35 22.510 -14.648 3.529 1.00 92.12 C +ATOM 272 C TYR A 35 23.922 -14.463 4.069 1.00 91.74 C +ATOM 273 O TYR A 35 24.316 -13.373 4.463 1.00 90.99 O +ATOM 274 CB TYR A 35 22.191 -13.625 2.460 1.00 92.31 C +ATOM 275 CG TYR A 35 23.044 -13.796 1.218 1.00 93.19 C +ATOM 276 CD1 TYR A 35 22.860 -14.933 0.412 1.00 92.54 C +ATOM 277 CD2 TYR A 35 24.032 -12.859 0.867 1.00 92.64 C +ATOM 278 CE1 TYR A 35 23.649 -15.118 -0.737 1.00 92.21 C +ATOM 279 CE2 TYR A 35 24.831 -13.042 -0.292 1.00 92.26 C +ATOM 280 CZ TYR A 35 24.617 -14.167 -1.086 1.00 92.41 C +ATOM 281 OH TYR A 35 25.368 -14.360 -2.231 1.00 91.33 O +ATOM 282 N ASP A 36 24.691 -15.547 4.090 1.00 89.08 N +ATOM 283 CA ASP A 36 26.007 -15.601 4.703 1.00 89.32 C +ATOM 284 C ASP A 36 27.074 -16.127 3.713 1.00 89.05 C +ATOM 285 O ASP A 36 27.409 -17.307 3.718 1.00 87.83 O +ATOM 286 CB ASP A 36 25.875 -16.447 5.973 1.00 88.61 C +ATOM 287 CG ASP A 36 27.154 -16.446 6.810 1.00 89.37 C +ATOM 288 OD1 ASP A 36 28.056 -15.647 6.527 1.00 85.46 O +ATOM 289 OD2 ASP A 36 27.189 -17.245 7.776 1.00 84.66 O +ATOM 290 N PRO A 37 27.581 -15.246 2.839 1.00 88.06 N +ATOM 291 CA PRO A 37 28.536 -15.661 1.813 1.00 87.53 C +ATOM 292 C PRO A 37 29.934 -15.997 2.371 1.00 87.37 C +ATOM 293 O PRO A 37 30.671 -16.733 1.731 1.00 84.59 O +ATOM 294 CB PRO A 37 28.590 -14.500 0.830 1.00 85.78 C +ATOM 295 CG PRO A 37 28.203 -13.295 1.681 1.00 84.50 C +ATOM 296 CD PRO A 37 27.215 -13.866 2.650 1.00 86.88 C +ATOM 297 N THR A 38 30.260 -15.462 3.526 1.00 85.73 N +ATOM 298 CA THR A 38 31.532 -15.742 4.201 1.00 85.13 C +ATOM 299 C THR A 38 31.463 -16.975 5.090 1.00 84.95 C +ATOM 300 O THR A 38 32.538 -17.566 5.411 1.00 82.11 O +ATOM 301 CB THR A 38 31.995 -14.535 5.020 1.00 82.88 C +ATOM 302 OG1 THR A 38 30.982 -14.089 5.868 1.00 77.88 O +ATOM 303 CG2 THR A 38 32.377 -13.361 4.124 1.00 78.28 C +ATOM 304 N ASN A 39 30.300 -17.406 5.404 1.00 82.07 N +ATOM 305 CA ASN A 39 30.006 -18.594 6.210 1.00 81.67 C +ATOM 306 C ASN A 39 30.602 -18.527 7.634 1.00 81.87 C +ATOM 307 O ASN A 39 30.963 -19.532 8.245 1.00 78.67 O +ATOM 308 CB ASN A 39 30.375 -19.854 5.428 1.00 78.79 C +ATOM 309 CG ASN A 39 29.371 -21.002 5.554 1.00 76.69 C +ATOM 310 OD1 ASN A 39 28.289 -20.913 6.088 1.00 68.59 O +ATOM 311 ND2 ASN A 39 29.714 -22.102 4.968 1.00 68.12 N +ATOM 312 N ASP A 40 30.662 -17.300 8.143 1.00 81.21 N +ATOM 313 CA ASP A 40 31.215 -16.974 9.456 1.00 80.64 C +ATOM 314 C ASP A 40 30.156 -16.609 10.524 1.00 81.11 C +ATOM 315 O ASP A 40 30.483 -16.306 11.656 1.00 77.43 O +ATOM 316 CB ASP A 40 32.256 -15.853 9.306 1.00 78.54 C +ATOM 317 CG ASP A 40 31.675 -14.533 8.820 1.00 78.55 C +ATOM 318 OD1 ASP A 40 30.442 -14.413 8.693 1.00 72.10 O +ATOM 319 OD2 ASP A 40 32.482 -13.618 8.571 1.00 72.95 O +ATOM 320 N GLY A 41 28.922 -16.681 10.173 1.00 79.78 N +ATOM 321 CA GLY A 41 27.806 -16.350 11.049 1.00 79.78 C +ATOM 322 C GLY A 41 27.430 -14.865 11.076 1.00 81.48 C +ATOM 323 O GLY A 41 26.495 -14.506 11.803 1.00 78.69 O +ATOM 324 N THR A 42 28.082 -14.012 10.294 1.00 83.42 N +ATOM 325 CA THR A 42 27.802 -12.560 10.204 1.00 83.49 C +ATOM 326 C THR A 42 26.834 -12.212 9.084 1.00 84.12 C +ATOM 327 O THR A 42 26.739 -11.073 8.661 1.00 80.65 O +ATOM 328 CB THR A 42 29.091 -11.745 10.096 1.00 81.28 C +ATOM 329 OG1 THR A 42 29.737 -11.982 8.856 1.00 76.99 O +ATOM 330 CG2 THR A 42 30.060 -12.009 11.225 1.00 76.67 C +ATOM 331 N GLY A 43 26.126 -13.190 8.560 1.00 87.46 N +ATOM 332 CA GLY A 43 25.233 -13.024 7.429 1.00 87.72 C +ATOM 333 C GLY A 43 24.115 -12.026 7.624 1.00 88.71 C +ATOM 334 O GLY A 43 23.628 -11.765 8.718 1.00 86.85 O +ATOM 335 N GLU A 44 23.689 -11.459 6.508 1.00 90.61 N +ATOM 336 CA GLU A 44 22.605 -10.478 6.466 1.00 91.11 C +ATOM 337 C GLU A 44 21.243 -11.165 6.464 1.00 92.03 C +ATOM 338 O GLU A 44 21.005 -12.116 5.717 1.00 90.36 O +ATOM 339 CB GLU A 44 22.810 -9.614 5.233 1.00 88.88 C +ATOM 340 CG GLU A 44 21.764 -8.470 5.187 1.00 77.87 C +ATOM 341 CD GLU A 44 21.863 -7.567 3.956 1.00 73.57 C +ATOM 342 OE1 GLU A 44 21.125 -6.564 3.929 1.00 63.43 O +ATOM 343 OE2 GLU A 44 22.610 -7.843 3.021 1.00 60.00 O +ATOM 344 N MET A 45 20.299 -10.638 7.218 1.00 94.00 N +ATOM 345 CA MET A 45 18.898 -11.059 7.134 1.00 94.21 C +ATOM 346 C MET A 45 18.230 -10.468 5.895 1.00 94.66 C +ATOM 347 O MET A 45 18.272 -9.282 5.666 1.00 93.89 O +ATOM 348 CB MET A 45 18.130 -10.658 8.402 1.00 93.24 C +ATOM 349 CG MET A 45 18.684 -11.351 9.644 1.00 89.45 C +ATOM 350 SD MET A 45 18.548 -13.147 9.583 1.00 88.21 S +ATOM 351 CE MET A 45 19.830 -13.568 10.773 1.00 80.95 C +ATOM 352 N VAL A 46 17.602 -11.320 5.118 1.00 95.16 N +ATOM 353 CA VAL A 46 16.884 -10.951 3.894 1.00 95.24 C +ATOM 354 C VAL A 46 15.517 -11.609 3.842 1.00 95.31 C +ATOM 355 O VAL A 46 15.309 -12.725 4.326 1.00 95.03 O +ATOM 356 CB VAL A 46 17.706 -11.271 2.631 1.00 95.12 C +ATOM 357 CG1 VAL A 46 19.006 -10.450 2.587 1.00 94.72 C +ATOM 358 CG2 VAL A 46 18.073 -12.742 2.479 1.00 94.65 C +ATOM 359 N ALA A 47 14.572 -10.946 3.213 1.00 95.03 N +ATOM 360 CA ALA A 47 13.288 -11.537 2.869 1.00 94.90 C +ATOM 361 C ALA A 47 13.362 -12.063 1.438 1.00 94.96 C +ATOM 362 O ALA A 47 13.686 -11.343 0.504 1.00 94.78 O +ATOM 363 CB ALA A 47 12.185 -10.511 3.071 1.00 94.76 C +ATOM 364 N VAL A 48 13.035 -13.310 1.240 1.00 94.78 N +ATOM 365 CA VAL A 48 13.068 -13.961 -0.063 1.00 94.75 C +ATOM 366 C VAL A 48 11.664 -14.362 -0.461 1.00 94.54 C +ATOM 367 O VAL A 48 11.033 -15.175 0.212 1.00 94.21 O +ATOM 368 CB VAL A 48 14.018 -15.171 -0.059 1.00 94.71 C +ATOM 369 CG1 VAL A 48 15.427 -14.762 0.375 1.00 94.27 C +ATOM 370 CG2 VAL A 48 14.110 -15.808 -1.447 1.00 94.31 C +ATOM 371 N LYS A 49 11.188 -13.811 -1.561 1.00 92.53 N +ATOM 372 CA LYS A 49 9.924 -14.203 -2.170 1.00 92.33 C +ATOM 373 C LYS A 49 10.167 -15.179 -3.310 1.00 92.18 C +ATOM 374 O LYS A 49 10.923 -14.893 -4.229 1.00 91.69 O +ATOM 375 CB LYS A 49 9.140 -12.948 -2.602 1.00 91.88 C +ATOM 376 CG LYS A 49 7.692 -13.242 -3.024 1.00 90.74 C +ATOM 377 CD LYS A 49 6.933 -11.929 -3.285 1.00 89.44 C +ATOM 378 CE LYS A 49 5.473 -12.174 -3.649 1.00 87.38 C +ATOM 379 NZ LYS A 49 4.753 -10.905 -3.969 1.00 83.88 N1+ +ATOM 380 N ALA A 50 9.547 -16.330 -3.241 1.00 91.33 N +ATOM 381 CA ALA A 50 9.633 -17.387 -4.222 1.00 91.05 C +ATOM 382 C ALA A 50 8.274 -17.626 -4.883 1.00 90.87 C +ATOM 383 O ALA A 50 7.256 -17.726 -4.196 1.00 89.43 O +ATOM 384 CB ALA A 50 10.159 -18.646 -3.536 1.00 90.04 C +ATOM 385 N LEU A 51 8.272 -17.761 -6.186 1.00 83.05 N +ATOM 386 CA LEU A 51 7.087 -18.186 -6.934 1.00 83.09 C +ATOM 387 C LEU A 51 6.763 -19.649 -6.618 1.00 82.31 C +ATOM 388 O LEU A 51 7.669 -20.474 -6.518 1.00 80.67 O +ATOM 389 CB LEU A 51 7.361 -17.973 -8.431 1.00 81.81 C +ATOM 390 CG LEU A 51 6.132 -18.212 -9.333 1.00 79.43 C +ATOM 391 CD1 LEU A 51 6.541 -18.162 -10.788 1.00 78.33 C +ATOM 392 CD2 LEU A 51 5.052 -17.158 -9.106 1.00 77.59 C +ATOM 393 N LYS A 52 5.494 -19.965 -6.494 1.00 80.11 N +ATOM 394 CA LYS A 52 5.050 -21.357 -6.294 1.00 79.09 C +ATOM 395 C LYS A 52 5.484 -22.239 -7.481 1.00 78.82 C +ATOM 396 O LYS A 52 5.409 -21.798 -8.631 1.00 76.44 O +ATOM 397 CB LYS A 52 3.538 -21.385 -6.078 1.00 76.01 C +ATOM 398 CG LYS A 52 3.133 -20.701 -4.776 1.00 71.36 C +ATOM 399 CD LYS A 52 1.615 -20.744 -4.542 1.00 67.05 C +ATOM 400 CE LYS A 52 1.280 -20.042 -3.239 1.00 60.12 C +ATOM 401 NZ LYS A 52 -0.163 -20.049 -2.917 1.00 54.94 N1+ +ATOM 402 N ALA A 53 5.897 -23.445 -7.217 1.00 79.99 N +ATOM 403 CA ALA A 53 6.457 -24.330 -8.239 1.00 79.56 C +ATOM 404 C ALA A 53 5.453 -24.709 -9.334 1.00 79.53 C +ATOM 405 O ALA A 53 5.836 -24.861 -10.491 1.00 76.77 O +ATOM 406 CB ALA A 53 7.015 -25.546 -7.526 1.00 77.80 C +ATOM 407 N ASP A 54 4.212 -24.809 -8.989 1.00 78.71 N +ATOM 408 CA ASP A 54 3.081 -25.157 -9.865 1.00 78.87 C +ATOM 409 C ASP A 54 2.467 -23.951 -10.560 1.00 79.79 C +ATOM 410 O ASP A 54 1.455 -24.070 -11.245 1.00 76.60 O +ATOM 411 CB ASP A 54 2.058 -25.926 -9.034 1.00 76.48 C +ATOM 412 CG ASP A 54 1.460 -25.119 -7.862 1.00 75.56 C +ATOM 413 OD1 ASP A 54 2.140 -24.200 -7.355 1.00 67.21 O +ATOM 414 OD2 ASP A 54 0.326 -25.472 -7.437 1.00 67.64 O +ATOM 415 N ALA A 55 3.054 -22.767 -10.415 1.00 79.34 N +ATOM 416 CA ALA A 55 2.560 -21.553 -11.031 1.00 80.38 C +ATOM 417 C ALA A 55 2.560 -21.656 -12.557 1.00 81.08 C +ATOM 418 O ALA A 55 3.579 -21.914 -13.194 1.00 77.21 O +ATOM 419 CB ALA A 55 3.369 -20.359 -10.532 1.00 77.24 C +ATOM 420 N GLY A 56 1.413 -21.347 -13.150 1.00 78.78 N +ATOM 421 CA GLY A 56 1.245 -21.339 -14.594 1.00 78.90 C +ATOM 422 C GLY A 56 2.016 -20.229 -15.304 1.00 80.28 C +ATOM 423 O GLY A 56 2.538 -19.322 -14.665 1.00 79.11 O +ATOM 424 N PRO A 57 2.030 -20.241 -16.629 1.00 82.64 N +ATOM 425 CA PRO A 57 2.775 -19.258 -17.416 1.00 82.62 C +ATOM 426 C PRO A 57 2.390 -17.807 -17.131 1.00 83.61 C +ATOM 427 O PRO A 57 3.241 -16.927 -17.112 1.00 82.55 O +ATOM 428 CB PRO A 57 2.496 -19.607 -18.870 1.00 80.51 C +ATOM 429 CG PRO A 57 2.189 -21.102 -18.818 1.00 80.47 C +ATOM 430 CD PRO A 57 1.506 -21.262 -17.470 1.00 83.20 C +ATOM 431 N GLN A 58 1.130 -17.576 -16.868 1.00 81.78 N +ATOM 432 CA GLN A 58 0.590 -16.239 -16.556 1.00 82.22 C +ATOM 433 C GLN A 58 1.154 -15.686 -15.238 1.00 82.58 C +ATOM 434 O GLN A 58 1.605 -14.552 -15.190 1.00 80.05 O +ATOM 435 CB GLN A 58 -0.927 -16.352 -16.516 1.00 79.73 C +ATOM 436 CG GLN A 58 -1.623 -15.038 -16.812 1.00 75.29 C +ATOM 437 CD GLN A 58 -3.131 -15.254 -16.891 1.00 70.78 C +ATOM 438 OE1 GLN A 58 -3.686 -16.179 -16.335 1.00 60.28 O +ATOM 439 NE2 GLN A 58 -3.825 -14.409 -17.584 1.00 58.62 N +ATOM 440 N HIS A 59 1.233 -16.515 -14.234 1.00 83.34 N +ATOM 441 CA HIS A 59 1.845 -16.164 -12.958 1.00 84.10 C +ATOM 442 C HIS A 59 3.348 -15.941 -13.078 1.00 84.80 C +ATOM 443 O HIS A 59 3.877 -15.035 -12.455 1.00 83.14 O +ATOM 444 CB HIS A 59 1.553 -17.217 -11.912 1.00 82.37 C +ATOM 445 CG HIS A 59 0.120 -17.266 -11.495 1.00 82.24 C +ATOM 446 ND1 HIS A 59 -0.645 -16.189 -11.117 1.00 71.47 N1+ +ATOM 447 CD2 HIS A 59 -0.682 -18.368 -11.411 1.00 72.29 C +ATOM 448 CE1 HIS A 59 -1.868 -16.626 -10.799 1.00 71.46 C +ATOM 449 NE2 HIS A 59 -1.930 -17.952 -10.975 1.00 73.12 N +ATOM 450 N ARG A 60 4.003 -16.685 -13.915 1.00 82.91 N +ATOM 451 CA ARG A 60 5.431 -16.489 -14.214 1.00 83.45 C +ATOM 452 C ARG A 60 5.709 -15.162 -14.919 1.00 84.06 C +ATOM 453 O ARG A 60 6.689 -14.508 -14.586 1.00 84.11 O +ATOM 454 CB ARG A 60 5.969 -17.640 -15.067 1.00 82.80 C +ATOM 455 CG ARG A 60 5.982 -18.960 -14.302 1.00 80.10 C +ATOM 456 CD ARG A 60 6.489 -20.113 -15.171 1.00 80.84 C +ATOM 457 NE ARG A 60 6.495 -21.386 -14.422 1.00 76.96 N +ATOM 458 CZ ARG A 60 7.452 -21.797 -13.602 1.00 72.24 C +ATOM 459 NH1 ARG A 60 8.559 -21.149 -13.419 1.00 67.92 N +ATOM 460 NH2 ARG A 60 7.299 -22.897 -12.936 1.00 69.51 N1+ +ATOM 461 N SER A 61 4.844 -14.763 -15.813 1.00 82.41 N +ATOM 462 CA SER A 61 4.927 -13.454 -16.460 1.00 81.98 C +ATOM 463 C SER A 61 4.706 -12.330 -15.452 1.00 82.74 C +ATOM 464 O SER A 61 5.529 -11.422 -15.355 1.00 79.79 O +ATOM 465 CB SER A 61 3.941 -13.372 -17.619 1.00 79.14 C +ATOM 466 OG SER A 61 4.129 -12.156 -18.319 1.00 71.14 O +ATOM 467 N GLY A 62 3.678 -12.428 -14.650 1.00 84.58 N +ATOM 468 CA GLY A 62 3.410 -11.469 -13.565 1.00 84.91 C +ATOM 469 C GLY A 62 4.547 -11.383 -12.553 1.00 86.23 C +ATOM 470 O GLY A 62 4.914 -10.297 -12.122 1.00 84.31 O +ATOM 471 N TRP A 63 5.166 -12.501 -12.257 1.00 88.51 N +ATOM 472 CA TRP A 63 6.315 -12.576 -11.350 1.00 89.67 C +ATOM 473 C TRP A 63 7.539 -11.831 -11.887 1.00 90.75 C +ATOM 474 O TRP A 63 8.162 -11.058 -11.145 1.00 90.97 O +ATOM 475 CB TRP A 63 6.653 -14.051 -11.114 1.00 89.20 C +ATOM 476 CG TRP A 63 7.831 -14.273 -10.232 1.00 89.78 C +ATOM 477 CD1 TRP A 63 8.909 -15.039 -10.503 1.00 86.99 C +ATOM 478 CD2 TRP A 63 8.050 -13.709 -8.890 1.00 88.26 C +ATOM 479 NE1 TRP A 63 9.784 -14.998 -9.413 1.00 85.26 N +ATOM 480 CE2 TRP A 63 9.286 -14.186 -8.420 1.00 86.76 C +ATOM 481 CE3 TRP A 63 7.315 -12.847 -8.063 1.00 85.85 C +ATOM 482 CZ2 TRP A 63 9.788 -13.827 -7.138 1.00 83.27 C +ATOM 483 CZ3 TRP A 63 7.807 -12.494 -6.795 1.00 77.95 C +ATOM 484 CH2 TRP A 63 9.034 -12.977 -6.346 1.00 78.22 C +ATOM 485 N LYS A 64 7.856 -12.009 -13.142 1.00 88.35 N +ATOM 486 CA LYS A 64 8.935 -11.238 -13.780 1.00 88.46 C +ATOM 487 C LYS A 64 8.663 -9.743 -13.753 1.00 89.17 C +ATOM 488 O LYS A 64 9.556 -8.986 -13.412 1.00 87.34 O +ATOM 489 CB LYS A 64 9.170 -11.696 -15.229 1.00 86.03 C +ATOM 490 CG LYS A 64 9.952 -13.012 -15.305 1.00 76.34 C +ATOM 491 CD LYS A 64 10.248 -13.359 -16.763 1.00 71.53 C +ATOM 492 CE LYS A 64 11.129 -14.596 -16.850 1.00 63.22 C +ATOM 493 NZ LYS A 64 11.488 -14.903 -18.257 1.00 55.36 N1+ +ATOM 494 N GLN A 65 7.439 -9.344 -14.026 1.00 89.89 N +ATOM 495 CA GLN A 65 7.053 -7.938 -13.935 1.00 90.42 C +ATOM 496 C GLN A 65 7.197 -7.381 -12.534 1.00 91.39 C +ATOM 497 O GLN A 65 7.692 -6.272 -12.392 1.00 90.90 O +ATOM 498 CB GLN A 65 5.617 -7.749 -14.427 1.00 88.82 C +ATOM 499 CG GLN A 65 5.487 -7.953 -15.938 1.00 81.23 C +ATOM 500 CD GLN A 65 4.042 -7.763 -16.430 1.00 78.65 C +ATOM 501 OE1 GLN A 65 3.077 -7.741 -15.688 1.00 68.44 O +ATOM 502 NE2 GLN A 65 3.886 -7.633 -17.721 1.00 67.70 N +ATOM 503 N GLU A 66 6.828 -8.117 -11.509 1.00 91.04 N +ATOM 504 CA GLU A 66 7.027 -7.696 -10.115 1.00 91.53 C +ATOM 505 C GLU A 66 8.504 -7.447 -9.805 1.00 91.96 C +ATOM 506 O GLU A 66 8.845 -6.417 -9.230 1.00 90.48 O +ATOM 507 CB GLU A 66 6.428 -8.741 -9.160 1.00 89.70 C +ATOM 508 CG GLU A 66 6.602 -8.339 -7.690 1.00 83.28 C +ATOM 509 CD GLU A 66 5.951 -9.295 -6.664 1.00 82.82 C +ATOM 510 OE1 GLU A 66 6.087 -9.054 -5.465 1.00 68.50 O +ATOM 511 OE2 GLU A 66 5.307 -10.297 -7.058 1.00 66.30 O +ATOM 512 N ILE A 67 9.359 -8.351 -10.227 1.00 93.96 N +ATOM 513 CA ILE A 67 10.813 -8.209 -10.043 1.00 94.22 C +ATOM 514 C ILE A 67 11.335 -6.990 -10.802 1.00 94.20 C +ATOM 515 O ILE A 67 12.091 -6.194 -10.227 1.00 93.89 O +ATOM 516 CB ILE A 67 11.541 -9.497 -10.474 1.00 94.18 C +ATOM 517 CG1 ILE A 67 11.186 -10.658 -9.533 1.00 93.55 C +ATOM 518 CG2 ILE A 67 13.064 -9.284 -10.489 1.00 93.52 C +ATOM 519 CD1 ILE A 67 11.698 -12.028 -10.011 1.00 91.44 C +ATOM 520 N ASP A 68 10.933 -6.832 -12.042 1.00 93.97 N +ATOM 521 CA ASP A 68 11.404 -5.731 -12.888 1.00 93.88 C +ATOM 522 C ASP A 68 10.951 -4.378 -12.347 1.00 94.13 C +ATOM 523 O ASP A 68 11.763 -3.457 -12.276 1.00 93.23 O +ATOM 524 CB ASP A 68 10.913 -5.932 -14.326 1.00 93.10 C +ATOM 525 CG ASP A 68 11.646 -7.077 -15.063 1.00 90.30 C +ATOM 526 OD1 ASP A 68 12.782 -7.423 -14.664 1.00 85.61 O +ATOM 527 OD2 ASP A 68 11.049 -7.569 -16.054 1.00 83.44 O +ATOM 528 N ILE A 69 9.723 -4.276 -11.872 1.00 94.62 N +ATOM 529 CA ILE A 69 9.216 -3.067 -11.214 1.00 94.72 C +ATOM 530 C ILE A 69 10.057 -2.774 -9.979 1.00 94.82 C +ATOM 531 O ILE A 69 10.691 -1.727 -9.909 1.00 94.58 O +ATOM 532 CB ILE A 69 7.711 -3.176 -10.899 1.00 94.76 C +ATOM 533 CG1 ILE A 69 6.898 -3.120 -12.208 1.00 94.23 C +ATOM 534 CG2 ILE A 69 7.251 -2.051 -9.948 1.00 94.35 C +ATOM 535 CD1 ILE A 69 5.433 -3.532 -12.057 1.00 92.34 C +ATOM 536 N LEU A 70 10.130 -3.694 -9.036 1.00 95.68 N +ATOM 537 CA LEU A 70 10.811 -3.449 -7.762 1.00 95.65 C +ATOM 538 C LEU A 70 12.297 -3.117 -7.950 1.00 95.67 C +ATOM 539 O LEU A 70 12.830 -2.276 -7.222 1.00 95.15 O +ATOM 540 CB LEU A 70 10.602 -4.660 -6.838 1.00 95.31 C +ATOM 541 CG LEU A 70 11.080 -4.406 -5.391 1.00 94.14 C +ATOM 542 CD1 LEU A 70 10.940 -5.671 -4.558 1.00 92.89 C +ATOM 543 CD2 LEU A 70 10.272 -3.309 -4.701 1.00 92.23 C +ATOM 544 N ARG A 71 12.933 -3.681 -8.947 1.00 95.27 N +ATOM 545 CA ARG A 71 14.326 -3.372 -9.323 1.00 95.13 C +ATOM 546 C ARG A 71 14.529 -1.907 -9.673 1.00 95.37 C +ATOM 547 O ARG A 71 15.626 -1.395 -9.462 1.00 94.50 O +ATOM 548 CB ARG A 71 14.727 -4.307 -10.470 1.00 93.97 C +ATOM 549 CG ARG A 71 16.170 -4.091 -10.928 1.00 87.60 C +ATOM 550 CD ARG A 71 16.527 -5.027 -12.078 1.00 84.07 C +ATOM 551 NE ARG A 71 16.809 -6.390 -11.601 1.00 79.18 N +ATOM 552 CZ ARG A 71 17.092 -7.444 -12.325 1.00 75.94 C +ATOM 553 NH1 ARG A 71 17.115 -7.397 -13.633 1.00 69.83 N +ATOM 554 NH2 ARG A 71 17.374 -8.587 -11.785 1.00 69.17 N1+ +ATOM 555 N THR A 72 13.533 -1.252 -10.224 1.00 94.36 N +ATOM 556 CA THR A 72 13.629 0.152 -10.650 1.00 94.02 C +ATOM 557 C THR A 72 13.330 1.153 -9.538 1.00 94.23 C +ATOM 558 O THR A 72 13.583 2.342 -9.720 1.00 93.00 O +ATOM 559 CB THR A 72 12.732 0.455 -11.865 1.00 92.55 C +ATOM 560 OG1 THR A 72 11.348 0.403 -11.544 1.00 85.50 O +ATOM 561 CG2 THR A 72 12.969 -0.473 -13.032 1.00 84.14 C +ATOM 562 N LEU A 73 12.814 0.717 -8.409 1.00 95.41 N +ATOM 563 CA LEU A 73 12.329 1.584 -7.360 1.00 95.41 C +ATOM 564 C LEU A 73 13.382 1.821 -6.270 1.00 95.41 C +ATOM 565 O LEU A 73 13.920 0.887 -5.677 1.00 95.01 O +ATOM 566 CB LEU A 73 11.042 0.996 -6.756 1.00 95.45 C +ATOM 567 CG LEU A 73 9.879 0.823 -7.755 1.00 95.25 C +ATOM 568 CD1 LEU A 73 8.684 0.200 -7.037 1.00 94.89 C +ATOM 569 CD2 LEU A 73 9.438 2.137 -8.379 1.00 94.62 C +ATOM 570 N TYR A 74 13.618 3.093 -5.972 1.00 95.79 N +ATOM 571 CA TYR A 74 14.537 3.533 -4.920 1.00 95.36 C +ATOM 572 C TYR A 74 13.914 4.677 -4.127 1.00 95.56 C +ATOM 573 O TYR A 74 14.021 5.842 -4.487 1.00 94.41 O +ATOM 574 CB TYR A 74 15.865 3.969 -5.528 1.00 93.92 C +ATOM 575 CG TYR A 74 16.654 2.847 -6.166 1.00 87.07 C +ATOM 576 CD1 TYR A 74 17.517 2.060 -5.377 1.00 81.17 C +ATOM 577 CD2 TYR A 74 16.508 2.571 -7.528 1.00 77.86 C +ATOM 578 CE1 TYR A 74 18.225 1.007 -5.951 1.00 72.10 C +ATOM 579 CE2 TYR A 74 17.207 1.512 -8.113 1.00 68.98 C +ATOM 580 CZ TYR A 74 18.056 0.729 -7.314 1.00 67.30 C +ATOM 581 OH TYR A 74 18.757 -0.311 -7.893 1.00 65.22 O +ATOM 582 N HIS A 75 13.276 4.334 -3.034 1.00 96.43 N +ATOM 583 CA HIS A 75 12.675 5.308 -2.132 1.00 96.37 C +ATOM 584 C HIS A 75 12.670 4.771 -0.697 1.00 96.44 C +ATOM 585 O HIS A 75 12.500 3.567 -0.482 1.00 96.13 O +ATOM 586 CB HIS A 75 11.257 5.626 -2.620 1.00 96.24 C +ATOM 587 CG HIS A 75 10.652 6.808 -1.929 1.00 96.09 C +ATOM 588 ND1 HIS A 75 9.856 6.778 -0.811 1.00 95.00 N1+ +ATOM 589 CD2 HIS A 75 10.823 8.122 -2.277 1.00 94.85 C +ATOM 590 CE1 HIS A 75 9.561 8.042 -0.480 1.00 94.50 C +ATOM 591 NE2 HIS A 75 10.133 8.882 -1.339 1.00 94.77 N +ATOM 592 N GLU A 76 12.831 5.648 0.288 1.00 96.47 N +ATOM 593 CA GLU A 76 12.935 5.242 1.701 1.00 96.27 C +ATOM 594 C GLU A 76 11.659 4.584 2.233 1.00 96.56 C +ATOM 595 O GLU A 76 11.730 3.759 3.145 1.00 96.10 O +ATOM 596 CB GLU A 76 13.360 6.435 2.548 1.00 95.34 C +ATOM 597 CG GLU A 76 12.349 7.582 2.567 1.00 89.38 C +ATOM 598 CD GLU A 76 12.821 8.788 3.376 1.00 84.80 C +ATOM 599 OE1 GLU A 76 12.515 9.931 2.970 1.00 70.93 O +ATOM 600 OE2 GLU A 76 13.510 8.578 4.411 1.00 67.60 O +ATOM 601 N HIS A 77 10.512 4.881 1.636 1.00 96.78 N +ATOM 602 CA HIS A 77 9.224 4.304 1.991 1.00 96.88 C +ATOM 603 C HIS A 77 8.758 3.177 1.057 1.00 97.02 C +ATOM 604 O HIS A 77 7.587 2.814 1.052 1.00 96.85 O +ATOM 605 CB HIS A 77 8.184 5.423 2.111 1.00 96.76 C +ATOM 606 CG HIS A 77 8.579 6.459 3.122 1.00 96.62 C +ATOM 607 ND1 HIS A 77 9.024 6.196 4.400 1.00 95.88 N1+ +ATOM 608 CD2 HIS A 77 8.612 7.811 2.933 1.00 95.64 C +ATOM 609 CE1 HIS A 77 9.335 7.371 4.973 1.00 95.15 C +ATOM 610 NE2 HIS A 77 9.091 8.369 4.107 1.00 95.36 N +ATOM 611 N ILE A 78 9.654 2.616 0.283 1.00 96.90 N +ATOM 612 CA ILE A 78 9.419 1.411 -0.515 1.00 96.85 C +ATOM 613 C ILE A 78 10.417 0.334 -0.093 1.00 96.87 C +ATOM 614 O ILE A 78 11.604 0.615 0.121 1.00 96.59 O +ATOM 615 CB ILE A 78 9.473 1.733 -2.022 1.00 96.68 C +ATOM 616 CG1 ILE A 78 8.279 2.643 -2.386 1.00 96.00 C +ATOM 617 CG2 ILE A 78 9.466 0.459 -2.887 1.00 95.78 C +ATOM 618 CD1 ILE A 78 8.234 3.091 -3.843 1.00 93.91 C +ATOM 619 N ILE A 79 9.957 -0.901 0.002 1.00 96.45 N +ATOM 620 CA ILE A 79 10.836 -2.025 0.324 1.00 96.37 C +ATOM 621 C ILE A 79 11.978 -2.105 -0.681 1.00 96.54 C +ATOM 622 O ILE A 79 11.785 -2.031 -1.901 1.00 96.12 O +ATOM 623 CB ILE A 79 10.040 -3.330 0.436 1.00 95.78 C +ATOM 624 CG1 ILE A 79 10.913 -4.418 1.070 1.00 91.76 C +ATOM 625 CG2 ILE A 79 9.470 -3.792 -0.919 1.00 90.64 C +ATOM 626 CD1 ILE A 79 10.146 -5.673 1.470 1.00 84.86 C +ATOM 627 N LYS A 80 13.176 -2.266 -0.183 1.00 95.98 N +ATOM 628 CA LYS A 80 14.384 -2.241 -1.012 1.00 95.78 C +ATOM 629 C LYS A 80 14.586 -3.569 -1.728 1.00 96.09 C +ATOM 630 O LYS A 80 14.704 -4.616 -1.086 1.00 95.67 O +ATOM 631 CB LYS A 80 15.585 -1.847 -0.143 1.00 94.86 C +ATOM 632 CG LYS A 80 16.857 -1.670 -0.970 1.00 88.87 C +ATOM 633 CD LYS A 80 18.007 -1.203 -0.070 1.00 84.21 C +ATOM 634 CE LYS A 80 19.265 -1.034 -0.903 1.00 76.77 C +ATOM 635 NZ LYS A 80 20.378 -0.491 -0.109 1.00 69.54 N1+ +ATOM 636 N TYR A 81 14.711 -3.511 -3.039 1.00 95.52 N +ATOM 637 CA TYR A 81 15.236 -4.606 -3.837 1.00 95.60 C +ATOM 638 C TYR A 81 16.709 -4.812 -3.505 1.00 95.56 C +ATOM 639 O TYR A 81 17.480 -3.858 -3.451 1.00 95.17 O +ATOM 640 CB TYR A 81 15.067 -4.264 -5.316 1.00 95.56 C +ATOM 641 CG TYR A 81 15.693 -5.276 -6.251 1.00 95.59 C +ATOM 642 CD1 TYR A 81 15.017 -6.456 -6.577 1.00 95.17 C +ATOM 643 CD2 TYR A 81 16.973 -5.044 -6.785 1.00 95.20 C +ATOM 644 CE1 TYR A 81 15.586 -7.390 -7.464 1.00 94.69 C +ATOM 645 CE2 TYR A 81 17.547 -5.960 -7.666 1.00 94.67 C +ATOM 646 CZ TYR A 81 16.853 -7.131 -8.010 1.00 94.81 C +ATOM 647 OH TYR A 81 17.403 -8.028 -8.892 1.00 94.05 O +ATOM 648 N LYS A 82 17.100 -6.042 -3.296 1.00 95.60 N +ATOM 649 CA LYS A 82 18.505 -6.419 -3.087 1.00 95.26 C +ATOM 650 C LYS A 82 19.088 -7.230 -4.242 1.00 95.37 C +ATOM 651 O LYS A 82 20.262 -7.084 -4.561 1.00 94.42 O +ATOM 652 CB LYS A 82 18.654 -7.184 -1.778 1.00 94.27 C +ATOM 653 CG LYS A 82 18.446 -6.255 -0.591 1.00 89.73 C +ATOM 654 CD LYS A 82 18.987 -6.897 0.673 1.00 86.83 C +ATOM 655 CE LYS A 82 19.122 -5.840 1.759 1.00 82.24 C +ATOM 656 NZ LYS A 82 20.344 -6.052 2.549 1.00 77.11 N1+ +ATOM 657 N GLY A 83 18.265 -8.048 -4.850 1.00 94.99 N +ATOM 658 CA GLY A 83 18.704 -8.867 -5.967 1.00 94.84 C +ATOM 659 C GLY A 83 17.809 -10.052 -6.235 1.00 95.06 C +ATOM 660 O GLY A 83 16.673 -10.134 -5.763 1.00 94.58 O +ATOM 661 N CYS A 84 18.323 -10.998 -6.973 1.00 93.07 N +ATOM 662 CA CYS A 84 17.668 -12.256 -7.281 1.00 92.98 C +ATOM 663 C CYS A 84 18.563 -13.437 -6.930 1.00 92.94 C +ATOM 664 O CYS A 84 19.803 -13.353 -6.988 1.00 91.75 O +ATOM 665 CB CYS A 84 17.249 -12.286 -8.741 1.00 92.17 C +ATOM 666 SG CYS A 84 15.884 -11.136 -9.036 1.00 89.51 S +ATOM 667 N CYS A 85 17.954 -14.552 -6.658 1.00 91.48 N +ATOM 668 CA CYS A 85 18.619 -15.841 -6.545 1.00 91.25 C +ATOM 669 C CYS A 85 18.007 -16.796 -7.561 1.00 91.02 C +ATOM 670 O CYS A 85 16.790 -16.830 -7.730 1.00 89.33 O +ATOM 671 CB CYS A 85 18.427 -16.341 -5.106 1.00 89.83 C +ATOM 672 SG CYS A 85 19.225 -17.940 -4.892 1.00 85.93 S +ATOM 673 N GLU A 86 18.834 -17.565 -8.239 1.00 88.54 N +ATOM 674 CA GLU A 86 18.345 -18.638 -9.101 1.00 87.24 C +ATOM 675 C GLU A 86 17.640 -19.710 -8.277 1.00 87.36 C +ATOM 676 O GLU A 86 18.176 -20.220 -7.292 1.00 84.34 O +ATOM 677 CB GLU A 86 19.492 -19.258 -9.905 1.00 84.30 C +ATOM 678 CG GLU A 86 20.028 -18.356 -10.977 1.00 77.84 C +ATOM 679 CD GLU A 86 21.034 -19.038 -11.919 1.00 76.56 C +ATOM 680 OE1 GLU A 86 21.363 -18.446 -12.965 1.00 65.40 O +ATOM 681 OE2 GLU A 86 21.482 -20.174 -11.594 1.00 64.45 O +ATOM 682 N ASP A 87 16.448 -20.065 -8.700 1.00 85.45 N +ATOM 683 CA ASP A 87 15.688 -21.151 -8.128 1.00 85.13 C +ATOM 684 C ASP A 87 15.462 -22.259 -9.166 1.00 85.16 C +ATOM 685 O ASP A 87 14.448 -22.295 -9.848 1.00 82.25 O +ATOM 686 CB ASP A 87 14.397 -20.634 -7.504 1.00 82.88 C +ATOM 687 CG ASP A 87 13.652 -21.722 -6.717 1.00 82.89 C +ATOM 688 OD1 ASP A 87 14.117 -22.883 -6.701 1.00 77.53 O +ATOM 689 OD2 ASP A 87 12.621 -21.393 -6.110 1.00 77.78 O +ATOM 690 N ALA A 88 16.408 -23.146 -9.252 1.00 85.88 N +ATOM 691 CA ALA A 88 16.329 -24.279 -10.172 1.00 85.35 C +ATOM 692 C ALA A 88 15.137 -25.193 -9.862 1.00 85.51 C +ATOM 693 O ALA A 88 14.546 -25.762 -10.778 1.00 81.91 O +ATOM 694 CB ALA A 88 17.645 -25.043 -10.094 1.00 83.34 C +ATOM 695 N GLY A 89 14.743 -25.288 -8.617 1.00 83.59 N +ATOM 696 CA GLY A 89 13.620 -26.133 -8.213 1.00 83.00 C +ATOM 697 C GLY A 89 12.281 -25.659 -8.738 1.00 83.96 C +ATOM 698 O GLY A 89 11.448 -26.472 -9.098 1.00 80.97 O +ATOM 699 N ALA A 90 12.096 -24.350 -8.840 1.00 82.19 N +ATOM 700 CA ALA A 90 10.889 -23.771 -9.409 1.00 82.32 C +ATOM 701 C ALA A 90 11.038 -23.306 -10.878 1.00 83.37 C +ATOM 702 O ALA A 90 10.099 -22.745 -11.443 1.00 79.46 O +ATOM 703 CB ALA A 90 10.423 -22.624 -8.498 1.00 79.20 C +ATOM 704 N ALA A 91 12.181 -23.525 -11.481 1.00 82.98 N +ATOM 705 CA ALA A 91 12.532 -23.001 -12.810 1.00 83.44 C +ATOM 706 C ALA A 91 12.257 -21.489 -12.940 1.00 85.08 C +ATOM 707 O ALA A 91 11.733 -21.015 -13.962 1.00 82.75 O +ATOM 708 CB ALA A 91 11.885 -23.875 -13.882 1.00 80.69 C +ATOM 709 N SER A 92 12.576 -20.716 -11.902 1.00 85.99 N +ATOM 710 CA SER A 92 12.318 -19.288 -11.819 1.00 86.42 C +ATOM 711 C SER A 92 13.394 -18.613 -10.962 1.00 87.59 C +ATOM 712 O SER A 92 14.283 -19.256 -10.411 1.00 86.36 O +ATOM 713 CB SER A 92 10.919 -19.037 -11.241 1.00 83.87 C +ATOM 714 OG SER A 92 10.801 -19.458 -9.912 1.00 76.93 O +ATOM 715 N LEU A 93 13.286 -17.289 -10.834 1.00 89.63 N +ATOM 716 CA LEU A 93 14.092 -16.519 -9.907 1.00 90.51 C +ATOM 717 C LEU A 93 13.333 -16.326 -8.586 1.00 91.12 C +ATOM 718 O LEU A 93 12.127 -16.133 -8.582 1.00 89.98 O +ATOM 719 CB LEU A 93 14.470 -15.177 -10.539 1.00 88.92 C +ATOM 720 CG LEU A 93 15.318 -15.281 -11.805 1.00 83.64 C +ATOM 721 CD1 LEU A 93 15.545 -13.880 -12.365 1.00 80.15 C +ATOM 722 CD2 LEU A 93 16.671 -15.910 -11.508 1.00 78.88 C +ATOM 723 N GLN A 94 14.067 -16.313 -7.513 1.00 92.76 N +ATOM 724 CA GLN A 94 13.609 -15.826 -6.229 1.00 92.85 C +ATOM 725 C GLN A 94 13.981 -14.350 -6.091 1.00 93.26 C +ATOM 726 O GLN A 94 15.111 -13.964 -6.383 1.00 92.68 O +ATOM 727 CB GLN A 94 14.234 -16.645 -5.095 1.00 92.29 C +ATOM 728 CG GLN A 94 13.816 -18.101 -5.152 1.00 90.40 C +ATOM 729 CD GLN A 94 14.418 -18.923 -4.009 1.00 89.37 C +ATOM 730 OE1 GLN A 94 15.610 -18.976 -3.827 1.00 83.67 O +ATOM 731 NE2 GLN A 94 13.608 -19.569 -3.224 1.00 81.07 N +ATOM 732 N LEU A 95 13.044 -13.537 -5.628 1.00 94.21 N +ATOM 733 CA LEU A 95 13.253 -12.122 -5.350 1.00 94.41 C +ATOM 734 C LEU A 95 13.818 -11.968 -3.940 1.00 94.54 C +ATOM 735 O LEU A 95 13.175 -12.376 -2.976 1.00 94.24 O +ATOM 736 CB LEU A 95 11.916 -11.403 -5.539 1.00 94.20 C +ATOM 737 CG LEU A 95 11.888 -9.942 -5.075 1.00 93.33 C +ATOM 738 CD1 LEU A 95 10.481 -9.365 -5.285 1.00 92.34 C +ATOM 739 CD2 LEU A 95 12.881 -9.068 -5.838 1.00 92.04 C +ATOM 740 N VAL A 96 14.961 -11.326 -3.821 1.00 95.71 N +ATOM 741 CA VAL A 96 15.584 -11.012 -2.538 1.00 95.77 C +ATOM 742 C VAL A 96 15.377 -9.535 -2.227 1.00 95.76 C +ATOM 743 O VAL A 96 15.743 -8.661 -3.011 1.00 95.43 O +ATOM 744 CB VAL A 96 17.078 -11.387 -2.534 1.00 95.67 C +ATOM 745 CG1 VAL A 96 17.312 -12.834 -2.976 1.00 95.17 C +ATOM 746 CG2 VAL A 96 17.686 -11.225 -1.134 1.00 95.09 C +ATOM 747 N MET A 97 14.801 -9.254 -1.089 1.00 95.95 N +ATOM 748 CA MET A 97 14.467 -7.927 -0.594 1.00 95.85 C +ATOM 749 C MET A 97 15.082 -7.717 0.793 1.00 95.96 C +ATOM 750 O MET A 97 15.457 -8.682 1.462 1.00 95.56 O +ATOM 751 CB MET A 97 12.944 -7.777 -0.502 1.00 95.22 C +ATOM 752 CG MET A 97 12.216 -8.073 -1.811 1.00 91.91 C +ATOM 753 SD MET A 97 10.405 -8.124 -1.684 1.00 89.66 S +ATOM 754 CE MET A 97 10.177 -9.631 -0.744 1.00 79.31 C +ATOM 755 N GLU A 98 15.137 -6.470 1.239 1.00 95.56 N +ATOM 756 CA GLU A 98 15.461 -6.203 2.633 1.00 95.30 C +ATOM 757 C GLU A 98 14.450 -6.872 3.565 1.00 95.40 C +ATOM 758 O GLU A 98 13.258 -6.960 3.250 1.00 94.77 O +ATOM 759 CB GLU A 98 15.575 -4.694 2.905 1.00 94.56 C +ATOM 760 CG GLU A 98 14.234 -3.953 2.890 1.00 91.71 C +ATOM 761 CD GLU A 98 14.362 -2.447 3.107 1.00 90.44 C +ATOM 762 OE1 GLU A 98 13.675 -1.677 2.427 1.00 77.58 O +ATOM 763 OE2 GLU A 98 15.180 -2.011 3.962 1.00 75.56 O +ATOM 764 N TYR A 99 14.925 -7.336 4.693 1.00 95.64 N +ATOM 765 CA TYR A 99 14.061 -7.818 5.757 1.00 95.73 C +ATOM 766 C TYR A 99 13.631 -6.643 6.635 1.00 95.73 C +ATOM 767 O TYR A 99 14.467 -5.931 7.189 1.00 95.36 O +ATOM 768 CB TYR A 99 14.812 -8.867 6.571 1.00 95.66 C +ATOM 769 CG TYR A 99 14.083 -9.284 7.826 1.00 95.78 C +ATOM 770 CD1 TYR A 99 12.823 -9.911 7.734 1.00 95.39 C +ATOM 771 CD2 TYR A 99 14.625 -9.011 9.094 1.00 95.18 C +ATOM 772 CE1 TYR A 99 12.140 -10.294 8.903 1.00 94.67 C +ATOM 773 CE2 TYR A 99 13.956 -9.399 10.264 1.00 94.74 C +ATOM 774 CZ TYR A 99 12.725 -10.040 10.173 1.00 94.79 C +ATOM 775 OH TYR A 99 12.058 -10.435 11.314 1.00 94.22 O +ATOM 776 N VAL A 100 12.341 -6.439 6.761 1.00 95.78 N +ATOM 777 CA VAL A 100 11.760 -5.384 7.593 1.00 95.69 C +ATOM 778 C VAL A 100 11.299 -5.989 8.919 1.00 95.74 C +ATOM 779 O VAL A 100 10.390 -6.824 8.932 1.00 95.46 O +ATOM 780 CB VAL A 100 10.639 -4.655 6.850 1.00 95.43 C +ATOM 781 CG1 VAL A 100 11.104 -4.163 5.480 1.00 94.70 C +ATOM 782 CG2 VAL A 100 10.199 -3.430 7.642 1.00 94.60 C +ATOM 783 N PRO A 101 11.915 -5.621 10.051 1.00 95.72 N +ATOM 784 CA PRO A 101 11.887 -6.455 11.247 1.00 95.49 C +ATOM 785 C PRO A 101 10.569 -6.456 12.022 1.00 95.58 C +ATOM 786 O PRO A 101 10.290 -7.434 12.716 1.00 94.97 O +ATOM 787 CB PRO A 101 13.045 -5.956 12.107 1.00 94.84 C +ATOM 788 CG PRO A 101 13.262 -4.516 11.657 1.00 93.45 C +ATOM 789 CD PRO A 101 12.926 -4.584 10.172 1.00 94.31 C +ATOM 790 N LEU A 102 9.768 -5.405 11.921 1.00 96.10 N +ATOM 791 CA LEU A 102 8.525 -5.291 12.693 1.00 96.07 C +ATOM 792 C LEU A 102 7.290 -5.855 11.969 1.00 96.14 C +ATOM 793 O LEU A 102 6.231 -5.945 12.577 1.00 95.64 O +ATOM 794 CB LEU A 102 8.338 -3.837 13.159 1.00 95.82 C +ATOM 795 CG LEU A 102 9.483 -3.267 14.023 1.00 95.23 C +ATOM 796 CD1 LEU A 102 9.134 -1.858 14.498 1.00 94.64 C +ATOM 797 CD2 LEU A 102 9.752 -4.112 15.258 1.00 94.30 C +ATOM 798 N GLY A 103 7.423 -6.288 10.733 1.00 95.64 N +ATOM 799 CA GLY A 103 6.329 -6.888 9.947 1.00 95.46 C +ATOM 800 C GLY A 103 5.304 -5.880 9.461 1.00 95.73 C +ATOM 801 O GLY A 103 5.556 -4.686 9.418 1.00 95.31 O +ATOM 802 N SER A 104 4.144 -6.357 9.045 1.00 95.49 N +ATOM 803 CA SER A 104 3.098 -5.505 8.484 1.00 95.43 C +ATOM 804 C SER A 104 2.392 -4.664 9.545 1.00 95.66 C +ATOM 805 O SER A 104 2.195 -5.109 10.679 1.00 95.33 O +ATOM 806 CB SER A 104 2.086 -6.341 7.701 1.00 94.83 C +ATOM 807 OG SER A 104 1.284 -7.126 8.559 1.00 92.57 O +ATOM 808 N LEU A 105 1.925 -3.494 9.160 1.00 96.07 N +ATOM 809 CA LEU A 105 1.091 -2.664 10.030 1.00 96.02 C +ATOM 810 C LEU A 105 -0.164 -3.397 10.491 1.00 96.07 C +ATOM 811 O LEU A 105 -0.547 -3.263 11.650 1.00 95.83 O +ATOM 812 CB LEU A 105 0.706 -1.363 9.316 1.00 95.86 C +ATOM 813 CG LEU A 105 1.850 -0.350 9.151 1.00 95.28 C +ATOM 814 CD1 LEU A 105 1.324 0.887 8.423 1.00 94.78 C +ATOM 815 CD2 LEU A 105 2.397 0.116 10.504 1.00 94.40 C +ATOM 816 N ARG A 106 -0.746 -4.230 9.648 1.00 96.12 N +ATOM 817 CA ARG A 106 -1.917 -5.042 9.998 1.00 95.94 C +ATOM 818 C ARG A 106 -1.661 -5.962 11.193 1.00 96.03 C +ATOM 819 O ARG A 106 -2.561 -6.147 12.015 1.00 95.61 O +ATOM 820 CB ARG A 106 -2.354 -5.879 8.790 1.00 95.37 C +ATOM 821 CG ARG A 106 -3.684 -6.621 9.065 1.00 91.91 C +ATOM 822 CD ARG A 106 -4.012 -7.615 7.954 1.00 89.20 C +ATOM 823 NE ARG A 106 -3.050 -8.717 7.930 1.00 83.12 N +ATOM 824 CZ ARG A 106 -2.988 -9.683 7.025 1.00 81.81 C +ATOM 825 NH1 ARG A 106 -3.851 -9.772 6.059 1.00 77.59 N +ATOM 826 NH2 ARG A 106 -2.037 -10.571 7.088 1.00 78.27 N1+ +ATOM 827 N ASP A 107 -0.474 -6.529 11.283 1.00 95.35 N +ATOM 828 CA ASP A 107 -0.126 -7.459 12.348 1.00 95.24 C +ATOM 829 C ASP A 107 0.488 -6.754 13.566 1.00 95.41 C +ATOM 830 O ASP A 107 0.424 -7.262 14.682 1.00 94.95 O +ATOM 831 CB ASP A 107 0.831 -8.529 11.803 1.00 94.66 C +ATOM 832 CG ASP A 107 0.220 -9.360 10.669 1.00 92.59 C +ATOM 833 OD1 ASP A 107 -1.009 -9.592 10.661 1.00 88.05 O +ATOM 834 OD2 ASP A 107 0.998 -9.758 9.774 1.00 85.04 O +ATOM 835 N TYR A 108 1.065 -5.586 13.348 1.00 96.10 N +ATOM 836 CA TYR A 108 1.713 -4.797 14.380 1.00 96.06 C +ATOM 837 C TYR A 108 0.726 -3.971 15.212 1.00 96.10 C +ATOM 838 O TYR A 108 0.753 -4.032 16.436 1.00 95.80 O +ATOM 839 CB TYR A 108 2.767 -3.898 13.729 1.00 95.90 C +ATOM 840 CG TYR A 108 3.621 -3.150 14.728 1.00 95.65 C +ATOM 841 CD1 TYR A 108 4.810 -3.732 15.201 1.00 95.15 C +ATOM 842 CD2 TYR A 108 3.230 -1.881 15.210 1.00 94.94 C +ATOM 843 CE1 TYR A 108 5.606 -3.058 16.150 1.00 94.31 C +ATOM 844 CE2 TYR A 108 4.017 -1.202 16.154 1.00 94.37 C +ATOM 845 CZ TYR A 108 5.197 -1.795 16.618 1.00 94.26 C +ATOM 846 OH TYR A 108 5.977 -1.127 17.541 1.00 93.72 O +ATOM 847 N LEU A 109 -0.157 -3.220 14.559 1.00 95.59 N +ATOM 848 CA LEU A 109 -1.018 -2.232 15.217 1.00 95.53 C +ATOM 849 C LEU A 109 -1.974 -2.824 16.274 1.00 95.46 C +ATOM 850 O LEU A 109 -2.105 -2.221 17.323 1.00 95.13 O +ATOM 851 CB LEU A 109 -1.786 -1.417 14.168 1.00 95.44 C +ATOM 852 CG LEU A 109 -0.921 -0.474 13.326 1.00 95.08 C +ATOM 853 CD1 LEU A 109 -1.812 0.251 12.321 1.00 94.68 C +ATOM 854 CD2 LEU A 109 -0.217 0.579 14.169 1.00 94.35 C +ATOM 855 N PRO A 110 -2.569 -4.013 16.073 1.00 94.92 N +ATOM 856 CA PRO A 110 -3.420 -4.612 17.108 1.00 94.74 C +ATOM 857 C PRO A 110 -2.687 -4.985 18.407 1.00 94.74 C +ATOM 858 O PRO A 110 -3.314 -5.225 19.427 1.00 94.12 O +ATOM 859 CB PRO A 110 -4.020 -5.863 16.461 1.00 94.29 C +ATOM 860 CG PRO A 110 -3.954 -5.568 14.971 1.00 93.58 C +ATOM 861 CD PRO A 110 -2.655 -4.776 14.852 1.00 94.30 C +ATOM 862 N ARG A 111 -1.362 -5.062 18.362 1.00 94.24 N +ATOM 863 CA ARG A 111 -0.526 -5.490 19.489 1.00 93.85 C +ATOM 864 C ARG A 111 0.240 -4.361 20.161 1.00 93.92 C +ATOM 865 O ARG A 111 0.895 -4.601 21.171 1.00 92.47 O +ATOM 866 CB ARG A 111 0.460 -6.555 18.980 1.00 92.40 C +ATOM 867 CG ARG A 111 -0.244 -7.759 18.338 1.00 83.42 C +ATOM 868 CD ARG A 111 0.795 -8.750 17.809 1.00 79.45 C +ATOM 869 NE ARG A 111 0.148 -9.805 16.995 1.00 72.90 N +ATOM 870 CZ ARG A 111 0.773 -10.795 16.389 1.00 67.65 C +ATOM 871 NH1 ARG A 111 2.068 -10.928 16.458 1.00 59.17 N +ATOM 872 NH2 ARG A 111 0.106 -11.632 15.665 1.00 56.69 N1+ +ATOM 873 N HIS A 112 0.191 -3.156 19.594 1.00 93.75 N +ATOM 874 CA HIS A 112 0.963 -2.014 20.072 1.00 93.78 C +ATOM 875 C HIS A 112 0.086 -0.777 20.155 1.00 93.85 C +ATOM 876 O HIS A 112 -0.602 -0.414 19.209 1.00 92.86 O +ATOM 877 CB HIS A 112 2.157 -1.781 19.137 1.00 93.34 C +ATOM 878 CG HIS A 112 3.106 -2.948 19.071 1.00 92.62 C +ATOM 879 ND1 HIS A 112 2.948 -4.080 18.283 1.00 88.66 N1+ +ATOM 880 CD2 HIS A 112 4.253 -3.121 19.781 1.00 87.82 C +ATOM 881 CE1 HIS A 112 3.977 -4.908 18.508 1.00 87.75 C +ATOM 882 NE2 HIS A 112 4.789 -4.364 19.421 1.00 88.78 N +ATOM 883 N SER A 113 0.146 -0.090 21.272 1.00 92.49 N +ATOM 884 CA SER A 113 -0.611 1.149 21.498 1.00 92.37 C +ATOM 885 C SER A 113 0.078 2.321 20.806 1.00 92.96 C +ATOM 886 O SER A 113 0.823 3.068 21.425 1.00 91.06 O +ATOM 887 CB SER A 113 -0.779 1.411 22.987 1.00 89.71 C +ATOM 888 OG SER A 113 -1.488 0.360 23.597 1.00 77.51 O +ATOM 889 N ILE A 114 -0.167 2.488 19.532 1.00 93.91 N +ATOM 890 CA ILE A 114 0.363 3.584 18.727 1.00 94.00 C +ATOM 891 C ILE A 114 -0.574 4.786 18.821 1.00 94.32 C +ATOM 892 O ILE A 114 -1.772 4.673 18.598 1.00 93.23 O +ATOM 893 CB ILE A 114 0.631 3.141 17.280 1.00 92.58 C +ATOM 894 CG1 ILE A 114 1.536 1.898 17.217 1.00 85.15 C +ATOM 895 CG2 ILE A 114 1.226 4.272 16.455 1.00 81.16 C +ATOM 896 CD1 ILE A 114 2.906 2.046 17.894 1.00 74.15 C +ATOM 897 N GLY A 115 -0.021 5.941 19.139 1.00 95.24 N +ATOM 898 CA GLY A 115 -0.776 7.195 19.227 1.00 95.15 C +ATOM 899 C GLY A 115 -1.144 7.762 17.857 1.00 95.56 C +ATOM 900 O GLY A 115 -0.506 7.472 16.860 1.00 95.16 O +ATOM 901 N LEU A 116 -2.115 8.645 17.842 1.00 95.50 N +ATOM 902 CA LEU A 116 -2.632 9.277 16.618 1.00 95.60 C +ATOM 903 C LEU A 116 -1.533 9.979 15.810 1.00 95.83 C +ATOM 904 O LEU A 116 -1.473 9.788 14.603 1.00 95.76 O +ATOM 905 CB LEU A 116 -3.734 10.268 17.027 1.00 95.40 C +ATOM 906 CG LEU A 116 -4.310 11.080 15.865 1.00 94.81 C +ATOM 907 CD1 LEU A 116 -5.355 12.029 16.396 1.00 94.22 C +ATOM 908 CD2 LEU A 116 -4.974 10.201 14.798 1.00 93.71 C +ATOM 909 N ALA A 117 -0.655 10.718 16.448 1.00 95.92 N +ATOM 910 CA ALA A 117 0.433 11.402 15.766 1.00 95.94 C +ATOM 911 C ALA A 117 1.322 10.418 14.998 1.00 96.16 C +ATOM 912 O ALA A 117 1.694 10.668 13.860 1.00 95.85 O +ATOM 913 CB ALA A 117 1.232 12.206 16.791 1.00 95.41 C +ATOM 914 N GLN A 118 1.611 9.272 15.580 1.00 96.45 N +ATOM 915 CA GLN A 118 2.430 8.242 14.933 1.00 96.34 C +ATOM 916 C GLN A 118 1.712 7.589 13.746 1.00 96.50 C +ATOM 917 O GLN A 118 2.335 7.344 12.721 1.00 96.25 O +ATOM 918 CB GLN A 118 2.811 7.197 15.990 1.00 95.82 C +ATOM 919 CG GLN A 118 3.967 6.309 15.534 1.00 92.87 C +ATOM 920 CD GLN A 118 5.298 7.055 15.407 1.00 91.38 C +ATOM 921 OE1 GLN A 118 5.501 8.112 15.970 1.00 81.68 O +ATOM 922 NE2 GLN A 118 6.214 6.531 14.655 1.00 78.93 N +ATOM 923 N LEU A 119 0.418 7.341 13.845 1.00 96.46 N +ATOM 924 CA LEU A 119 -0.386 6.823 12.740 1.00 96.56 C +ATOM 925 C LEU A 119 -0.433 7.817 11.575 1.00 96.66 C +ATOM 926 O LEU A 119 -0.331 7.413 10.419 1.00 96.47 O +ATOM 927 CB LEU A 119 -1.806 6.532 13.231 1.00 96.49 C +ATOM 928 CG LEU A 119 -1.920 5.440 14.305 1.00 96.12 C +ATOM 929 CD1 LEU A 119 -3.372 5.339 14.761 1.00 95.69 C +ATOM 930 CD2 LEU A 119 -1.491 4.062 13.769 1.00 95.56 C +ATOM 931 N LEU A 120 -0.536 9.097 11.868 1.00 96.41 N +ATOM 932 CA LEU A 120 -0.508 10.156 10.861 1.00 96.47 C +ATOM 933 C LEU A 120 0.865 10.293 10.202 1.00 96.48 C +ATOM 934 O LEU A 120 0.934 10.536 8.993 1.00 96.27 O +ATOM 935 CB LEU A 120 -0.949 11.476 11.496 1.00 96.41 C +ATOM 936 CG LEU A 120 -2.413 11.491 11.948 1.00 96.11 C +ATOM 937 CD1 LEU A 120 -2.665 12.753 12.756 1.00 95.79 C +ATOM 938 CD2 LEU A 120 -3.394 11.471 10.763 1.00 95.58 C +ATOM 939 N LEU A 121 1.940 10.079 10.956 1.00 96.56 N +ATOM 940 CA LEU A 121 3.281 9.984 10.374 1.00 96.56 C +ATOM 941 C LEU A 121 3.374 8.814 9.386 1.00 96.61 C +ATOM 942 O LEU A 121 3.868 9.000 8.277 1.00 96.41 O +ATOM 943 CB LEU A 121 4.315 9.851 11.500 1.00 96.42 C +ATOM 944 CG LEU A 121 5.762 9.665 11.005 1.00 95.93 C +ATOM 945 CD1 LEU A 121 6.689 9.408 12.197 1.00 95.31 C +ATOM 946 CD2 LEU A 121 6.256 10.912 10.275 1.00 94.70 C +ATOM 947 N PHE A 122 2.868 7.652 9.735 1.00 96.80 N +ATOM 948 CA PHE A 122 2.831 6.510 8.827 1.00 96.84 C +ATOM 949 C PHE A 122 1.995 6.799 7.583 1.00 96.90 C +ATOM 950 O PHE A 122 2.437 6.514 6.473 1.00 96.75 O +ATOM 951 CB PHE A 122 2.286 5.269 9.544 1.00 96.78 C +ATOM 952 CG PHE A 122 3.085 4.780 10.746 1.00 96.75 C +ATOM 953 CD1 PHE A 122 4.447 5.058 10.893 1.00 96.35 C +ATOM 954 CD2 PHE A 122 2.440 3.974 11.708 1.00 96.18 C +ATOM 955 CE1 PHE A 122 5.168 4.549 11.988 1.00 95.70 C +ATOM 956 CE2 PHE A 122 3.146 3.463 12.808 1.00 95.76 C +ATOM 957 CZ PHE A 122 4.516 3.754 12.950 1.00 95.72 C +ATOM 958 N ALA A 123 0.848 7.426 7.749 1.00 96.81 N +ATOM 959 CA ALA A 123 0.000 7.824 6.631 1.00 96.81 C +ATOM 960 C ALA A 123 0.729 8.793 5.679 1.00 96.87 C +ATOM 961 O ALA A 123 0.681 8.597 4.456 1.00 96.70 O +ATOM 962 CB ALA A 123 -1.276 8.444 7.191 1.00 96.66 C +ATOM 963 N GLN A 124 1.436 9.772 6.211 1.00 96.80 N +ATOM 964 CA GLN A 124 2.270 10.671 5.426 1.00 96.77 C +ATOM 965 C GLN A 124 3.341 9.929 4.636 1.00 96.83 C +ATOM 966 O GLN A 124 3.470 10.115 3.433 1.00 96.50 O +ATOM 967 CB GLN A 124 2.897 11.719 6.369 1.00 96.41 C +ATOM 968 CG GLN A 124 3.775 12.719 5.635 1.00 94.96 C +ATOM 969 CD GLN A 124 4.721 13.483 6.568 1.00 93.81 C +ATOM 970 OE1 GLN A 124 4.423 13.782 7.701 1.00 87.13 O +ATOM 971 NE2 GLN A 124 5.891 13.784 6.084 1.00 86.42 N +ATOM 972 N GLN A 125 4.057 9.043 5.284 1.00 96.87 N +ATOM 973 CA GLN A 125 5.118 8.258 4.653 1.00 96.88 C +ATOM 974 C GLN A 125 4.593 7.324 3.553 1.00 96.89 C +ATOM 975 O GLN A 125 5.219 7.172 2.510 1.00 96.67 O +ATOM 976 CB GLN A 125 5.842 7.441 5.720 1.00 96.82 C +ATOM 977 CG GLN A 125 6.681 8.301 6.666 1.00 96.59 C +ATOM 978 CD GLN A 125 7.390 7.479 7.748 1.00 96.39 C +ATOM 979 OE1 GLN A 125 7.326 6.268 7.787 1.00 94.70 O +ATOM 980 NE2 GLN A 125 8.101 8.124 8.632 1.00 93.96 N +ATOM 981 N ILE A 126 3.429 6.737 3.758 1.00 96.85 N +ATOM 982 CA ILE A 126 2.751 5.965 2.705 1.00 96.89 C +ATOM 983 C ILE A 126 2.483 6.860 1.498 1.00 96.87 C +ATOM 984 O ILE A 126 2.800 6.477 0.372 1.00 96.76 O +ATOM 985 CB ILE A 126 1.457 5.311 3.239 1.00 96.97 C +ATOM 986 CG1 ILE A 126 1.774 4.235 4.299 1.00 96.95 C +ATOM 987 CG2 ILE A 126 0.661 4.663 2.087 1.00 96.96 C +ATOM 988 CD1 ILE A 126 0.564 3.826 5.156 1.00 96.69 C +ATOM 989 N CYS A 127 1.980 8.064 1.710 1.00 96.90 N +ATOM 990 CA CYS A 127 1.748 9.004 0.621 1.00 96.85 C +ATOM 991 C CYS A 127 3.040 9.413 -0.093 1.00 96.79 C +ATOM 992 O CYS A 127 3.028 9.537 -1.312 1.00 96.54 O +ATOM 993 CB CYS A 127 1.027 10.238 1.154 1.00 96.74 C +ATOM 994 SG CYS A 127 -0.679 9.820 1.577 1.00 96.53 S +ATOM 995 N GLU A 128 4.122 9.585 0.619 1.00 96.99 N +ATOM 996 CA GLU A 128 5.426 9.905 0.025 1.00 96.88 C +ATOM 997 C GLU A 128 5.926 8.769 -0.871 1.00 97.00 C +ATOM 998 O GLU A 128 6.289 9.004 -2.026 1.00 96.66 O +ATOM 999 CB GLU A 128 6.444 10.225 1.143 1.00 96.55 C +ATOM 1000 CG GLU A 128 6.153 11.592 1.794 1.00 94.88 C +ATOM 1001 CD GLU A 128 6.959 11.908 3.067 1.00 93.91 C +ATOM 1002 OE1 GLU A 128 6.773 13.051 3.574 1.00 84.09 O +ATOM 1003 OE2 GLU A 128 7.720 11.060 3.562 1.00 82.19 O +ATOM 1004 N GLY A 129 5.850 7.544 -0.393 1.00 96.96 N +ATOM 1005 CA GLY A 129 6.202 6.374 -1.194 1.00 96.93 C +ATOM 1006 C GLY A 129 5.299 6.174 -2.410 1.00 97.04 C +ATOM 1007 O GLY A 129 5.777 5.865 -3.499 1.00 96.86 O +ATOM 1008 N MET A 130 4.017 6.422 -2.255 1.00 96.70 N +ATOM 1009 CA MET A 130 3.046 6.299 -3.351 1.00 96.77 C +ATOM 1010 C MET A 130 3.168 7.419 -4.379 1.00 96.75 C +ATOM 1011 O MET A 130 3.028 7.157 -5.572 1.00 96.56 O +ATOM 1012 CB MET A 130 1.634 6.261 -2.773 1.00 96.75 C +ATOM 1013 CG MET A 130 1.332 4.940 -2.071 1.00 96.60 C +ATOM 1014 SD MET A 130 1.488 3.419 -3.042 1.00 96.39 S +ATOM 1015 CE MET A 130 0.321 3.733 -4.359 1.00 95.52 C +ATOM 1016 N ALA A 131 3.471 8.647 -3.950 1.00 96.78 N +ATOM 1017 CA ALA A 131 3.744 9.754 -4.855 1.00 96.70 C +ATOM 1018 C ALA A 131 4.966 9.467 -5.731 1.00 96.67 C +ATOM 1019 O ALA A 131 4.918 9.649 -6.943 1.00 96.46 O +ATOM 1020 CB ALA A 131 3.935 11.040 -4.043 1.00 96.59 C +ATOM 1021 N TYR A 132 6.021 8.925 -5.125 1.00 96.74 N +ATOM 1022 CA TYR A 132 7.185 8.460 -5.873 1.00 96.61 C +ATOM 1023 C TYR A 132 6.812 7.356 -6.867 1.00 96.67 C +ATOM 1024 O TYR A 132 7.179 7.443 -8.034 1.00 96.43 O +ATOM 1025 CB TYR A 132 8.257 7.980 -4.894 1.00 96.49 C +ATOM 1026 CG TYR A 132 9.380 7.228 -5.571 1.00 96.30 C +ATOM 1027 CD1 TYR A 132 10.419 7.917 -6.200 1.00 95.88 C +ATOM 1028 CD2 TYR A 132 9.355 5.818 -5.619 1.00 95.70 C +ATOM 1029 CE1 TYR A 132 11.454 7.216 -6.865 1.00 95.12 C +ATOM 1030 CE2 TYR A 132 10.374 5.108 -6.278 1.00 95.30 C +ATOM 1031 CZ TYR A 132 11.416 5.818 -6.892 1.00 95.23 C +ATOM 1032 OH TYR A 132 12.420 5.132 -7.531 1.00 94.36 O +ATOM 1033 N LEU A 133 6.050 6.362 -6.453 1.00 96.53 N +ATOM 1034 CA LEU A 133 5.631 5.263 -7.320 1.00 96.49 C +ATOM 1035 C LEU A 133 4.861 5.768 -8.546 1.00 96.54 C +ATOM 1036 O LEU A 133 5.152 5.354 -9.671 1.00 96.19 O +ATOM 1037 CB LEU A 133 4.783 4.283 -6.486 1.00 96.20 C +ATOM 1038 CG LEU A 133 4.398 3.003 -7.252 1.00 95.10 C +ATOM 1039 CD1 LEU A 133 3.358 2.214 -6.476 1.00 94.32 C +ATOM 1040 CD2 LEU A 133 5.605 2.106 -7.484 1.00 93.52 C +ATOM 1041 N HIS A 134 3.931 6.673 -8.335 1.00 96.45 N +ATOM 1042 CA HIS A 134 3.173 7.293 -9.410 1.00 96.37 C +ATOM 1043 C HIS A 134 4.056 8.144 -10.322 1.00 96.24 C +ATOM 1044 O HIS A 134 3.890 8.093 -11.535 1.00 95.97 O +ATOM 1045 CB HIS A 134 2.040 8.129 -8.806 1.00 96.31 C +ATOM 1046 CG HIS A 134 0.903 7.323 -8.260 1.00 96.36 C +ATOM 1047 ND1 HIS A 134 -0.298 7.864 -7.827 1.00 95.62 N1+ +ATOM 1048 CD2 HIS A 134 0.807 5.965 -8.148 1.00 95.39 C +ATOM 1049 CE1 HIS A 134 -1.103 6.857 -7.475 1.00 95.07 C +ATOM 1050 NE2 HIS A 134 -0.466 5.682 -7.652 1.00 95.24 N +ATOM 1051 N ALA A 135 5.038 8.865 -9.778 1.00 96.46 N +ATOM 1052 CA ALA A 135 6.018 9.603 -10.587 1.00 96.28 C +ATOM 1053 C ALA A 135 6.892 8.680 -11.450 1.00 96.35 C +ATOM 1054 O ALA A 135 7.363 9.092 -12.502 1.00 95.94 O +ATOM 1055 CB ALA A 135 6.869 10.455 -9.642 1.00 95.89 C +ATOM 1056 N GLN A 136 7.052 7.429 -11.056 1.00 96.35 N +ATOM 1057 CA GLN A 136 7.684 6.390 -11.868 1.00 96.29 C +ATOM 1058 C GLN A 136 6.713 5.700 -12.843 1.00 96.43 C +ATOM 1059 O GLN A 136 7.073 4.687 -13.464 1.00 95.98 O +ATOM 1060 CB GLN A 136 8.386 5.371 -10.965 1.00 95.84 C +ATOM 1061 CG GLN A 136 9.473 5.968 -10.057 1.00 94.19 C +ATOM 1062 CD GLN A 136 10.528 6.759 -10.825 1.00 92.44 C +ATOM 1063 OE1 GLN A 136 11.208 6.247 -11.676 1.00 86.23 O +ATOM 1064 NE2 GLN A 136 10.667 8.039 -10.519 1.00 84.68 N +ATOM 1065 N HIS A 137 5.510 6.194 -12.981 1.00 96.12 N +ATOM 1066 CA HIS A 137 4.447 5.652 -13.847 1.00 96.07 C +ATOM 1067 C HIS A 137 3.955 4.246 -13.503 1.00 96.34 C +ATOM 1068 O HIS A 137 3.518 3.496 -14.365 1.00 95.93 O +ATOM 1069 CB HIS A 137 4.833 5.805 -15.318 1.00 95.46 C +ATOM 1070 CG HIS A 137 5.201 7.203 -15.698 1.00 94.27 C +ATOM 1071 ND1 HIS A 137 4.354 8.296 -15.711 1.00 91.06 N1+ +ATOM 1072 CD2 HIS A 137 6.449 7.664 -16.085 1.00 87.92 C +ATOM 1073 CE1 HIS A 137 5.047 9.379 -16.086 1.00 87.03 C +ATOM 1074 NE2 HIS A 137 6.340 9.031 -16.319 1.00 89.42 N +ATOM 1075 N TYR A 138 3.959 3.912 -12.241 1.00 96.18 N +ATOM 1076 CA TYR A 138 3.365 2.664 -11.764 1.00 96.24 C +ATOM 1077 C TYR A 138 2.108 2.915 -10.946 1.00 96.35 C +ATOM 1078 O TYR A 138 1.998 3.889 -10.213 1.00 96.07 O +ATOM 1079 CB TYR A 138 4.390 1.868 -10.956 1.00 96.13 C +ATOM 1080 CG TYR A 138 5.617 1.455 -11.748 1.00 95.94 C +ATOM 1081 CD1 TYR A 138 5.526 0.455 -12.733 1.00 95.43 C +ATOM 1082 CD2 TYR A 138 6.848 2.084 -11.498 1.00 95.26 C +ATOM 1083 CE1 TYR A 138 6.666 0.088 -13.479 1.00 94.72 C +ATOM 1084 CE2 TYR A 138 7.994 1.726 -12.246 1.00 94.77 C +ATOM 1085 CZ TYR A 138 7.896 0.733 -13.228 1.00 94.74 C +ATOM 1086 OH TYR A 138 8.997 0.383 -13.959 1.00 94.20 O +ATOM 1087 N ILE A 139 1.190 1.963 -11.001 1.00 96.11 N +ATOM 1088 CA ILE A 139 0.042 1.853 -10.099 1.00 96.08 C +ATOM 1089 C ILE A 139 0.259 0.624 -9.228 1.00 96.21 C +ATOM 1090 O ILE A 139 0.574 -0.449 -9.757 1.00 95.83 O +ATOM 1091 CB ILE A 139 -1.286 1.754 -10.895 1.00 95.50 C +ATOM 1092 CG1 ILE A 139 -1.471 2.961 -11.832 1.00 92.75 C +ATOM 1093 CG2 ILE A 139 -2.469 1.658 -9.919 1.00 91.75 C +ATOM 1094 CD1 ILE A 139 -2.715 2.834 -12.735 1.00 86.55 C +ATOM 1095 N HIS A 140 0.067 0.749 -7.924 1.00 96.22 N +ATOM 1096 CA HIS A 140 0.301 -0.350 -6.983 1.00 96.20 C +ATOM 1097 C HIS A 140 -0.799 -1.408 -7.037 1.00 96.17 C +ATOM 1098 O HIS A 140 -0.516 -2.603 -7.035 1.00 95.75 O +ATOM 1099 CB HIS A 140 0.455 0.238 -5.571 1.00 96.12 C +ATOM 1100 CG HIS A 140 0.887 -0.786 -4.566 1.00 96.09 C +ATOM 1101 ND1 HIS A 140 0.073 -1.682 -3.885 1.00 95.09 N1+ +ATOM 1102 CD2 HIS A 140 2.171 -1.038 -4.165 1.00 94.75 C +ATOM 1103 CE1 HIS A 140 0.854 -2.445 -3.099 1.00 94.40 C +ATOM 1104 NE2 HIS A 140 2.130 -2.074 -3.252 1.00 94.74 N +ATOM 1105 N ARG A 141 -2.054 -0.984 -7.069 1.00 96.15 N +ATOM 1106 CA ARG A 141 -3.271 -1.809 -7.139 1.00 96.01 C +ATOM 1107 C ARG A 141 -3.540 -2.714 -5.927 1.00 96.06 C +ATOM 1108 O ARG A 141 -4.519 -3.460 -5.942 1.00 95.53 O +ATOM 1109 CB ARG A 141 -3.295 -2.628 -8.444 1.00 95.47 C +ATOM 1110 CG ARG A 141 -3.258 -1.771 -9.702 1.00 94.01 C +ATOM 1111 CD ARG A 141 -3.118 -2.660 -10.951 1.00 92.68 C +ATOM 1112 NE ARG A 141 -4.178 -3.656 -11.024 1.00 90.14 N +ATOM 1113 CZ ARG A 141 -4.050 -4.970 -11.237 1.00 88.57 C +ATOM 1114 NH1 ARG A 141 -2.907 -5.534 -11.468 1.00 85.86 N +ATOM 1115 NH2 ARG A 141 -5.088 -5.730 -11.220 1.00 86.48 N1+ +ATOM 1116 N ASN A 142 -2.724 -2.668 -4.900 1.00 95.97 N +ATOM 1117 CA ASN A 142 -2.893 -3.493 -3.710 1.00 95.77 C +ATOM 1118 C ASN A 142 -2.442 -2.776 -2.419 1.00 95.94 C +ATOM 1119 O ASN A 142 -1.967 -3.417 -1.471 1.00 95.55 O +ATOM 1120 CB ASN A 142 -2.165 -4.825 -3.930 1.00 95.19 C +ATOM 1121 CG ASN A 142 -2.552 -5.917 -2.945 1.00 92.99 C +ATOM 1122 OD1 ASN A 142 -3.568 -5.880 -2.275 1.00 87.16 O +ATOM 1123 ND2 ASN A 142 -1.749 -6.950 -2.880 1.00 83.16 N +ATOM 1124 N LEU A 143 -2.577 -1.468 -2.380 1.00 96.32 N +ATOM 1125 CA LEU A 143 -2.253 -0.700 -1.187 1.00 96.31 C +ATOM 1126 C LEU A 143 -3.246 -1.035 -0.066 1.00 96.27 C +ATOM 1127 O LEU A 143 -4.448 -0.877 -0.218 1.00 95.91 O +ATOM 1128 CB LEU A 143 -2.229 0.794 -1.527 1.00 96.32 C +ATOM 1129 CG LEU A 143 -1.812 1.684 -0.339 1.00 96.09 C +ATOM 1130 CD1 LEU A 143 -1.873 3.149 -0.763 1.00 95.81 C +ATOM 1131 CD2 LEU A 143 -0.392 1.381 0.150 1.00 95.68 C +ATOM 1132 N ALA A 144 -2.729 -1.522 1.038 1.00 95.82 N +ATOM 1133 CA ALA A 144 -3.454 -1.922 2.228 1.00 95.70 C +ATOM 1134 C ALA A 144 -2.480 -2.044 3.404 1.00 95.80 C +ATOM 1135 O ALA A 144 -1.290 -2.285 3.181 1.00 95.50 O +ATOM 1136 CB ALA A 144 -4.127 -3.274 1.961 1.00 95.43 C +ATOM 1137 N ALA A 145 -2.952 -1.992 4.640 1.00 95.98 N +ATOM 1138 CA ALA A 145 -2.093 -2.077 5.827 1.00 95.98 C +ATOM 1139 C ALA A 145 -1.273 -3.376 5.906 1.00 96.06 C +ATOM 1140 O ALA A 145 -0.154 -3.375 6.414 1.00 95.79 O +ATOM 1141 CB ALA A 145 -2.975 -1.926 7.069 1.00 95.78 C +ATOM 1142 N ARG A 146 -1.780 -4.474 5.346 1.00 95.64 N +ATOM 1143 CA ARG A 146 -1.040 -5.748 5.225 1.00 95.34 C +ATOM 1144 C ARG A 146 0.199 -5.674 4.340 1.00 95.52 C +ATOM 1145 O ARG A 146 1.072 -6.523 4.479 1.00 94.90 O +ATOM 1146 CB ARG A 146 -1.983 -6.855 4.727 1.00 94.49 C +ATOM 1147 CG ARG A 146 -2.423 -6.632 3.264 1.00 89.95 C +ATOM 1148 CD ARG A 146 -3.319 -7.758 2.741 1.00 87.52 C +ATOM 1149 NE ARG A 146 -3.733 -7.471 1.369 1.00 82.09 N +ATOM 1150 CZ ARG A 146 -4.805 -6.779 0.994 1.00 78.84 C +ATOM 1151 NH1 ARG A 146 -5.688 -6.365 1.856 1.00 70.99 N +ATOM 1152 NH2 ARG A 146 -4.975 -6.491 -0.251 1.00 70.72 N1+ +ATOM 1153 N ASN A 147 0.245 -4.702 3.440 1.00 96.10 N +ATOM 1154 CA ASN A 147 1.326 -4.500 2.477 1.00 96.02 C +ATOM 1155 C ASN A 147 2.213 -3.303 2.832 1.00 96.13 C +ATOM 1156 O ASN A 147 3.085 -2.939 2.047 1.00 95.81 O +ATOM 1157 CB ASN A 147 0.717 -4.373 1.065 1.00 95.79 C +ATOM 1158 CG ASN A 147 0.020 -5.635 0.589 1.00 95.24 C +ATOM 1159 OD1 ASN A 147 0.206 -6.718 1.114 1.00 93.73 O +ATOM 1160 ND2 ASN A 147 -0.795 -5.538 -0.431 1.00 93.07 N +ATOM 1161 N VAL A 148 1.995 -2.697 3.973 1.00 96.55 N +ATOM 1162 CA VAL A 148 2.870 -1.682 4.539 1.00 96.55 C +ATOM 1163 C VAL A 148 3.631 -2.300 5.704 1.00 96.54 C +ATOM 1164 O VAL A 148 3.034 -2.771 6.673 1.00 96.32 O +ATOM 1165 CB VAL A 148 2.088 -0.432 4.957 1.00 96.52 C +ATOM 1166 CG1 VAL A 148 1.295 0.162 3.784 1.00 96.36 C +ATOM 1167 CG2 VAL A 148 3.057 0.646 5.463 1.00 96.43 C +ATOM 1168 N LEU A 149 4.937 -2.318 5.597 1.00 96.81 N +ATOM 1169 CA LEU A 149 5.842 -2.923 6.566 1.00 96.72 C +ATOM 1170 C LEU A 149 6.467 -1.844 7.450 1.00 96.81 C +ATOM 1171 O LEU A 149 6.741 -0.747 6.996 1.00 96.45 O +ATOM 1172 CB LEU A 149 6.916 -3.731 5.824 1.00 96.35 C +ATOM 1173 CG LEU A 149 6.383 -4.802 4.862 1.00 95.21 C +ATOM 1174 CD1 LEU A 149 7.558 -5.449 4.134 1.00 94.12 C +ATOM 1175 CD2 LEU A 149 5.618 -5.906 5.590 1.00 92.75 C +ATOM 1176 N LEU A 150 6.711 -2.172 8.702 1.00 96.31 N +ATOM 1177 CA LEU A 150 7.288 -1.285 9.691 1.00 96.17 C +ATOM 1178 C LEU A 150 8.740 -1.693 9.972 1.00 96.21 C +ATOM 1179 O LEU A 150 9.002 -2.780 10.490 1.00 95.71 O +ATOM 1180 CB LEU A 150 6.383 -1.335 10.929 1.00 95.60 C +ATOM 1181 CG LEU A 150 6.765 -0.340 12.032 1.00 92.92 C +ATOM 1182 CD1 LEU A 150 5.875 -0.565 13.249 1.00 90.86 C +ATOM 1183 CD2 LEU A 150 6.587 1.109 11.605 1.00 88.74 C +ATOM 1184 N ASP A 151 9.652 -0.797 9.640 1.00 95.24 N +ATOM 1185 CA ASP A 151 11.092 -1.027 9.848 1.00 95.03 C +ATOM 1186 C ASP A 151 11.499 -0.716 11.294 1.00 95.07 C +ATOM 1187 O ASP A 151 12.185 -1.499 11.948 1.00 94.29 O +ATOM 1188 CB ASP A 151 11.857 -0.162 8.844 1.00 94.06 C +ATOM 1189 CG ASP A 151 13.349 -0.475 8.793 1.00 91.03 C +ATOM 1190 OD1 ASP A 151 13.702 -1.680 8.891 1.00 86.39 O +ATOM 1191 OD2 ASP A 151 14.125 0.480 8.588 1.00 82.91 O +ATOM 1192 N ASN A 152 11.019 0.403 11.796 1.00 95.02 N +ATOM 1193 CA ASN A 152 11.156 0.831 13.187 1.00 94.86 C +ATOM 1194 C ASN A 152 9.938 1.679 13.574 1.00 94.94 C +ATOM 1195 O ASN A 152 9.026 1.875 12.782 1.00 94.45 O +ATOM 1196 CB ASN A 152 12.492 1.573 13.352 1.00 94.45 C +ATOM 1197 CG ASN A 152 12.603 2.815 12.491 1.00 93.73 C +ATOM 1198 OD1 ASN A 152 11.874 3.781 12.687 1.00 91.60 O +ATOM 1199 ND2 ASN A 152 13.505 2.831 11.551 1.00 90.54 N +ATOM 1200 N ASP A 153 9.925 2.218 14.771 1.00 93.56 N +ATOM 1201 CA ASP A 153 8.794 2.999 15.305 1.00 93.45 C +ATOM 1202 C ASP A 153 8.465 4.283 14.525 1.00 93.79 C +ATOM 1203 O ASP A 153 7.418 4.880 14.759 1.00 92.51 O +ATOM 1204 CB ASP A 153 9.084 3.305 16.787 1.00 91.85 C +ATOM 1205 CG ASP A 153 10.258 4.261 17.025 1.00 85.99 C +ATOM 1206 OD1 ASP A 153 11.220 4.208 16.237 1.00 77.28 O +ATOM 1207 OD2 ASP A 153 10.192 5.054 17.992 1.00 75.01 O +ATOM 1208 N ARG A 154 9.309 4.686 13.587 1.00 93.42 N +ATOM 1209 CA ARG A 154 9.133 5.903 12.772 1.00 93.14 C +ATOM 1210 C ARG A 154 9.206 5.697 11.276 1.00 93.85 C +ATOM 1211 O ARG A 154 9.085 6.686 10.549 1.00 92.48 O +ATOM 1212 CB ARG A 154 10.172 6.944 13.199 1.00 90.80 C +ATOM 1213 CG ARG A 154 10.013 7.365 14.677 1.00 81.07 C +ATOM 1214 CD ARG A 154 10.983 8.486 15.004 1.00 73.31 C +ATOM 1215 NE ARG A 154 10.855 8.861 16.412 1.00 66.77 N +ATOM 1216 CZ ARG A 154 11.439 9.888 17.002 1.00 59.03 C +ATOM 1217 NH1 ARG A 154 12.209 10.701 16.329 1.00 52.25 N +ATOM 1218 NH2 ARG A 154 11.247 10.115 18.265 1.00 49.22 N1+ +ATOM 1219 N LEU A 155 9.420 4.502 10.777 1.00 96.16 N +ATOM 1220 CA LEU A 155 9.672 4.272 9.356 1.00 96.21 C +ATOM 1221 C LEU A 155 8.833 3.118 8.822 1.00 96.39 C +ATOM 1222 O LEU A 155 9.027 1.966 9.219 1.00 95.99 O +ATOM 1223 CB LEU A 155 11.173 4.038 9.144 1.00 95.80 C +ATOM 1224 CG LEU A 155 11.570 3.856 7.666 1.00 94.42 C +ATOM 1225 CD1 LEU A 155 13.070 3.576 7.572 1.00 93.51 C +ATOM 1226 CD2 LEU A 155 11.290 5.102 6.839 1.00 92.19 C +ATOM 1227 N VAL A 156 7.968 3.414 7.862 1.00 96.60 N +ATOM 1228 CA VAL A 156 7.210 2.424 7.116 1.00 96.65 C +ATOM 1229 C VAL A 156 7.699 2.312 5.678 1.00 96.73 C +ATOM 1230 O VAL A 156 8.212 3.270 5.103 1.00 96.38 O +ATOM 1231 CB VAL A 156 5.697 2.677 7.155 1.00 96.33 C +ATOM 1232 CG1 VAL A 156 5.157 2.547 8.574 1.00 95.25 C +ATOM 1233 CG2 VAL A 156 5.276 4.022 6.564 1.00 94.84 C +ATOM 1234 N LYS A 157 7.496 1.141 5.109 1.00 96.85 N +ATOM 1235 CA LYS A 157 7.847 0.828 3.726 1.00 96.75 C +ATOM 1236 C LYS A 157 6.715 0.064 3.045 1.00 96.82 C +ATOM 1237 O LYS A 157 6.209 -0.914 3.583 1.00 96.52 O +ATOM 1238 CB LYS A 157 9.137 0.013 3.671 1.00 96.43 C +ATOM 1239 CG LYS A 157 10.306 0.771 4.328 1.00 95.72 C +ATOM 1240 CD LYS A 157 11.633 0.059 4.095 1.00 94.97 C +ATOM 1241 CE LYS A 157 12.741 0.855 4.790 1.00 93.52 C +ATOM 1242 NZ LYS A 157 14.084 0.424 4.331 1.00 91.61 N1+ +ATOM 1243 N ILE A 158 6.358 0.492 1.856 1.00 96.65 N +ATOM 1244 CA ILE A 158 5.372 -0.189 1.019 1.00 96.70 C +ATOM 1245 C ILE A 158 6.023 -1.425 0.401 1.00 96.73 C +ATOM 1246 O ILE A 158 7.140 -1.358 -0.117 1.00 96.51 O +ATOM 1247 CB ILE A 158 4.810 0.768 -0.046 1.00 96.64 C +ATOM 1248 CG1 ILE A 158 4.188 2.018 0.607 1.00 96.33 C +ATOM 1249 CG2 ILE A 158 3.761 0.050 -0.917 1.00 96.29 C +ATOM 1250 CD1 ILE A 158 3.948 3.156 -0.381 1.00 95.71 C +ATOM 1251 N GLY A 159 5.330 -2.540 0.449 1.00 95.75 N +ATOM 1252 CA GLY A 159 5.734 -3.799 -0.158 1.00 95.46 C +ATOM 1253 C GLY A 159 4.643 -4.421 -1.028 1.00 95.60 C +ATOM 1254 O GLY A 159 3.609 -3.812 -1.306 1.00 94.83 O +ATOM 1255 N ASP A 160 4.868 -5.648 -1.440 1.00 94.45 N +ATOM 1256 CA ASP A 160 3.995 -6.475 -2.283 1.00 94.31 C +ATOM 1257 C ASP A 160 3.568 -5.830 -3.608 1.00 94.60 C +ATOM 1258 O ASP A 160 2.396 -5.553 -3.865 1.00 93.48 O +ATOM 1259 CB ASP A 160 2.828 -7.068 -1.496 1.00 92.80 C +ATOM 1260 CG ASP A 160 2.188 -8.248 -2.240 1.00 85.82 C +ATOM 1261 OD1 ASP A 160 2.725 -8.703 -3.272 1.00 73.33 O +ATOM 1262 OD2 ASP A 160 1.161 -8.751 -1.769 1.00 71.38 O +ATOM 1263 N PHE A 161 4.518 -5.690 -4.494 1.00 95.39 N +ATOM 1264 CA PHE A 161 4.305 -5.168 -5.846 1.00 95.39 C +ATOM 1265 C PHE A 161 3.730 -6.209 -6.825 1.00 95.28 C +ATOM 1266 O PHE A 161 3.751 -5.995 -8.032 1.00 94.12 O +ATOM 1267 CB PHE A 161 5.601 -4.531 -6.338 1.00 94.98 C +ATOM 1268 CG PHE A 161 5.948 -3.271 -5.575 1.00 95.01 C +ATOM 1269 CD1 PHE A 161 5.529 -2.026 -6.066 1.00 93.85 C +ATOM 1270 CD2 PHE A 161 6.627 -3.339 -4.350 1.00 93.65 C +ATOM 1271 CE1 PHE A 161 5.770 -0.860 -5.329 1.00 92.58 C +ATOM 1272 CE2 PHE A 161 6.862 -2.180 -3.597 1.00 92.87 C +ATOM 1273 CZ PHE A 161 6.431 -0.944 -4.091 1.00 93.14 C +ATOM 1274 N GLY A 162 3.185 -7.303 -6.329 1.00 94.76 N +ATOM 1275 CA GLY A 162 2.659 -8.389 -7.150 1.00 94.50 C +ATOM 1276 C GLY A 162 1.521 -7.999 -8.092 1.00 94.78 C +ATOM 1277 O GLY A 162 1.387 -8.565 -9.177 1.00 93.97 O +ATOM 1278 N LEU A 163 0.720 -7.016 -7.727 1.00 95.22 N +ATOM 1279 CA LEU A 163 -0.332 -6.460 -8.576 1.00 95.32 C +ATOM 1280 C LEU A 163 0.078 -5.170 -9.294 1.00 95.36 C +ATOM 1281 O LEU A 163 -0.699 -4.689 -10.125 1.00 94.81 O +ATOM 1282 CB LEU A 163 -1.605 -6.248 -7.743 1.00 95.08 C +ATOM 1283 CG LEU A 163 -2.287 -7.545 -7.274 1.00 94.36 C +ATOM 1284 CD1 LEU A 163 -3.555 -7.195 -6.492 1.00 93.66 C +ATOM 1285 CD2 LEU A 163 -2.701 -8.422 -8.452 1.00 92.96 C +ATOM 1286 N ALA A 164 1.228 -4.612 -8.998 1.00 95.83 N +ATOM 1287 CA ALA A 164 1.664 -3.352 -9.580 1.00 95.76 C +ATOM 1288 C ALA A 164 1.781 -3.453 -11.106 1.00 95.83 C +ATOM 1289 O ALA A 164 2.161 -4.479 -11.661 1.00 95.21 O +ATOM 1290 CB ALA A 164 2.969 -2.908 -8.924 1.00 95.36 C +ATOM 1291 N LYS A 165 1.434 -2.369 -11.780 1.00 95.42 N +ATOM 1292 CA LYS A 165 1.491 -2.282 -13.238 1.00 95.17 C +ATOM 1293 C LYS A 165 2.040 -0.936 -13.666 1.00 95.45 C +ATOM 1294 O LYS A 165 1.727 0.080 -13.073 1.00 94.98 O +ATOM 1295 CB LYS A 165 0.094 -2.491 -13.846 1.00 94.32 C +ATOM 1296 CG LYS A 165 -0.466 -3.909 -13.649 1.00 90.00 C +ATOM 1297 CD LYS A 165 0.353 -4.993 -14.360 1.00 85.92 C +ATOM 1298 CE LYS A 165 -0.216 -6.374 -14.074 1.00 79.36 C +ATOM 1299 NZ LYS A 165 0.618 -7.444 -14.675 1.00 72.70 N1+ +ATOM 1300 N ALA A 166 2.794 -0.948 -14.747 1.00 94.89 N +ATOM 1301 CA ALA A 166 3.134 0.256 -15.466 1.00 94.81 C +ATOM 1302 C ALA A 166 1.896 0.795 -16.181 1.00 94.79 C +ATOM 1303 O ALA A 166 1.161 0.036 -16.824 1.00 93.99 O +ATOM 1304 CB ALA A 166 4.281 -0.050 -16.432 1.00 94.13 C +ATOM 1305 N VAL A 167 1.694 2.092 -16.100 1.00 93.17 N +ATOM 1306 CA VAL A 167 0.697 2.776 -16.921 1.00 92.91 C +ATOM 1307 C VAL A 167 1.309 3.001 -18.298 1.00 92.74 C +ATOM 1308 O VAL A 167 2.367 3.615 -18.384 1.00 91.77 O +ATOM 1309 CB VAL A 167 0.250 4.093 -16.280 1.00 92.26 C +ATOM 1310 CG1 VAL A 167 -0.338 3.841 -14.890 1.00 90.91 C +ATOM 1311 CG2 VAL A 167 -0.837 4.761 -17.123 1.00 91.15 C +ATOM 1312 N PRO A 168 0.688 2.520 -19.371 1.00 90.03 N +ATOM 1313 CA PRO A 168 1.214 2.736 -20.714 1.00 89.35 C +ATOM 1314 C PRO A 168 1.303 4.217 -21.038 1.00 89.26 C +ATOM 1315 O PRO A 168 0.428 4.993 -20.681 1.00 87.93 O +ATOM 1316 CB PRO A 168 0.257 2.006 -21.654 1.00 87.90 C +ATOM 1317 CG PRO A 168 -0.423 0.976 -20.775 1.00 86.31 C +ATOM 1318 CD PRO A 168 -0.499 1.673 -19.414 1.00 87.78 C +ATOM 1319 N GLU A 169 2.333 4.593 -21.758 1.00 86.97 N +ATOM 1320 CA GLU A 169 2.537 5.985 -22.167 1.00 86.51 C +ATOM 1321 C GLU A 169 1.316 6.496 -22.938 1.00 86.62 C +ATOM 1322 O GLU A 169 0.746 5.796 -23.790 1.00 82.73 O +ATOM 1323 CB GLU A 169 3.815 6.099 -22.983 1.00 83.32 C +ATOM 1324 CG GLU A 169 4.247 7.545 -23.190 1.00 76.25 C +ATOM 1325 CD GLU A 169 5.576 7.693 -23.945 1.00 70.62 C +ATOM 1326 OE1 GLU A 169 6.072 8.843 -23.990 1.00 61.05 O +ATOM 1327 OE2 GLU A 169 6.087 6.688 -24.435 1.00 59.37 O +ATOM 1328 N GLY A 170 0.910 7.707 -22.645 1.00 87.07 N +ATOM 1329 CA GLY A 170 -0.279 8.320 -23.227 1.00 86.90 C +ATOM 1330 C GLY A 170 -1.621 7.777 -22.717 1.00 87.69 C +ATOM 1331 O GLY A 170 -2.674 8.152 -23.225 1.00 85.87 O +ATOM 1332 N HIS A 171 -1.617 6.905 -21.718 1.00 87.74 N +ATOM 1333 CA HIS A 171 -2.824 6.419 -21.040 1.00 87.87 C +ATOM 1334 C HIS A 171 -2.918 6.969 -19.635 1.00 88.67 C +ATOM 1335 O HIS A 171 -1.923 7.205 -18.961 1.00 86.97 O +ATOM 1336 CB HIS A 171 -2.825 4.891 -21.034 1.00 86.76 C +ATOM 1337 CG HIS A 171 -2.958 4.269 -22.405 1.00 86.65 C +ATOM 1338 ND1 HIS A 171 -1.966 4.226 -23.375 1.00 78.01 N1+ +ATOM 1339 CD2 HIS A 171 -4.071 3.679 -22.952 1.00 78.07 C +ATOM 1340 CE1 HIS A 171 -2.454 3.617 -24.458 1.00 77.28 C +ATOM 1341 NE2 HIS A 171 -3.731 3.269 -24.247 1.00 79.72 N +ATOM 1342 N GLU A 172 -4.142 7.100 -19.177 1.00 89.64 N +ATOM 1343 CA GLU A 172 -4.418 7.535 -17.799 1.00 89.60 C +ATOM 1344 C GLU A 172 -4.694 6.370 -16.859 1.00 90.46 C +ATOM 1345 O GLU A 172 -4.711 6.547 -15.649 1.00 88.31 O +ATOM 1346 CB GLU A 172 -5.605 8.491 -17.808 1.00 86.87 C +ATOM 1347 CG GLU A 172 -5.330 9.775 -18.600 1.00 79.87 C +ATOM 1348 CD GLU A 172 -6.486 10.777 -18.578 1.00 76.95 C +ATOM 1349 OE1 GLU A 172 -6.231 11.940 -18.971 1.00 64.92 O +ATOM 1350 OE2 GLU A 172 -7.599 10.398 -18.144 1.00 62.81 O +ATOM 1351 N TYR A 173 -4.934 5.190 -17.403 1.00 91.59 N +ATOM 1352 CA TYR A 173 -5.282 4.009 -16.621 1.00 92.22 C +ATOM 1353 C TYR A 173 -4.693 2.731 -17.217 1.00 92.44 C +ATOM 1354 O TYR A 173 -4.381 2.625 -18.386 1.00 90.87 O +ATOM 1355 CB TYR A 173 -6.812 3.904 -16.518 1.00 91.21 C +ATOM 1356 CG TYR A 173 -7.529 3.654 -17.828 1.00 91.52 C +ATOM 1357 CD1 TYR A 173 -8.019 4.737 -18.579 1.00 90.37 C +ATOM 1358 CD2 TYR A 173 -7.721 2.351 -18.302 1.00 90.48 C +ATOM 1359 CE1 TYR A 173 -8.689 4.524 -19.794 1.00 89.50 C +ATOM 1360 CE2 TYR A 173 -8.389 2.126 -19.531 1.00 89.79 C +ATOM 1361 CZ TYR A 173 -8.864 3.212 -20.256 1.00 90.10 C +ATOM 1362 OH TYR A 173 -9.516 2.996 -21.461 1.00 87.70 O +ATOM 1363 N TYR A 174 -4.623 1.725 -16.372 1.00 92.60 N +ATOM 1364 CA TYR A 174 -4.395 0.344 -16.764 1.00 92.59 C +ATOM 1365 C TYR A 174 -5.716 -0.432 -16.719 1.00 92.65 C +ATOM 1366 O TYR A 174 -6.515 -0.243 -15.803 1.00 91.56 O +ATOM 1367 CB TYR A 174 -3.337 -0.268 -15.833 1.00 91.54 C +ATOM 1368 CG TYR A 174 -3.058 -1.717 -16.153 1.00 90.23 C +ATOM 1369 CD1 TYR A 174 -2.193 -2.053 -17.212 1.00 88.12 C +ATOM 1370 CD2 TYR A 174 -3.683 -2.740 -15.413 1.00 87.32 C +ATOM 1371 CE1 TYR A 174 -1.969 -3.395 -17.540 1.00 85.69 C +ATOM 1372 CE2 TYR A 174 -3.444 -4.081 -15.725 1.00 86.54 C +ATOM 1373 CZ TYR A 174 -2.591 -4.408 -16.795 1.00 86.26 C +ATOM 1374 OH TYR A 174 -2.362 -5.727 -17.127 1.00 83.97 O +ATOM 1375 N ARG A 175 -5.956 -1.320 -17.665 1.00 91.42 N +ATOM 1376 CA ARG A 175 -7.144 -2.176 -17.673 1.00 91.11 C +ATOM 1377 C ARG A 175 -6.771 -3.624 -17.426 1.00 90.97 C +ATOM 1378 O ARG A 175 -5.960 -4.180 -18.164 1.00 89.86 O +ATOM 1379 CB ARG A 175 -7.922 -1.996 -18.995 1.00 90.27 C +ATOM 1380 CG ARG A 175 -9.353 -2.527 -18.858 1.00 86.76 C +ATOM 1381 CD ARG A 175 -10.126 -2.273 -20.153 1.00 85.99 C +ATOM 1382 NE ARG A 175 -11.543 -1.981 -19.865 1.00 82.39 N +ATOM 1383 CZ ARG A 175 -12.460 -1.612 -20.734 1.00 80.62 C +ATOM 1384 NH1 ARG A 175 -12.208 -1.556 -22.013 1.00 74.75 N +ATOM 1385 NH2 ARG A 175 -13.627 -1.249 -20.326 1.00 75.44 N1+ +ATOM 1386 N VAL A 176 -7.396 -4.223 -16.448 1.00 88.00 N +ATOM 1387 CA VAL A 176 -7.222 -5.639 -16.154 1.00 87.58 C +ATOM 1388 C VAL A 176 -8.157 -6.461 -17.041 1.00 87.19 C +ATOM 1389 O VAL A 176 -9.278 -6.059 -17.335 1.00 84.45 O +ATOM 1390 CB VAL A 176 -7.429 -5.931 -14.666 1.00 85.61 C +ATOM 1391 CG1 VAL A 176 -6.426 -5.134 -13.848 1.00 83.80 C +ATOM 1392 CG2 VAL A 176 -7.222 -7.405 -14.311 1.00 83.08 C +ATOM 1393 N ARG A 177 -7.674 -7.610 -17.468 1.00 80.17 N +ATOM 1394 CA ARG A 177 -8.459 -8.548 -18.289 1.00 79.36 C +ATOM 1395 C ARG A 177 -8.666 -9.910 -17.642 1.00 79.67 C +ATOM 1396 O ARG A 177 -9.306 -10.757 -18.235 1.00 73.28 O +ATOM 1397 CB ARG A 177 -7.791 -8.722 -19.661 1.00 74.57 C +ATOM 1398 CG ARG A 177 -7.755 -7.430 -20.478 1.00 67.85 C +ATOM 1399 CD ARG A 177 -7.199 -7.731 -21.874 1.00 63.11 C +ATOM 1400 NE ARG A 177 -7.132 -6.531 -22.700 1.00 57.88 N +ATOM 1401 CZ ARG A 177 -6.709 -6.494 -23.948 1.00 50.18 C +ATOM 1402 NH1 ARG A 177 -6.344 -7.573 -24.581 1.00 48.83 N +ATOM 1403 NH2 ARG A 177 -6.673 -5.365 -24.589 1.00 44.92 N1+ +ATOM 1404 N GLU A 178 -8.096 -10.110 -16.497 1.00 75.13 N +ATOM 1405 CA GLU A 178 -8.038 -11.386 -15.836 1.00 73.12 C +ATOM 1406 C GLU A 178 -8.853 -11.353 -14.556 1.00 73.28 C +ATOM 1407 O GLU A 178 -8.679 -10.454 -13.733 1.00 68.35 O +ATOM 1408 CB GLU A 178 -6.575 -11.745 -15.550 1.00 68.63 C +ATOM 1409 CG GLU A 178 -5.771 -11.873 -16.844 1.00 63.29 C +ATOM 1410 CD GLU A 178 -4.271 -12.032 -16.607 1.00 59.37 C +ATOM 1411 OE1 GLU A 178 -3.503 -11.917 -17.600 1.00 51.04 O +ATOM 1412 OE2 GLU A 178 -3.857 -12.286 -15.457 1.00 48.82 O +ATOM 1413 N ASP A 179 -9.698 -12.355 -14.369 1.00 72.56 N +ATOM 1414 CA ASP A 179 -10.315 -12.602 -13.086 1.00 72.35 C +ATOM 1415 C ASP A 179 -9.295 -13.263 -12.145 1.00 72.94 C +ATOM 1416 O ASP A 179 -8.516 -14.118 -12.557 1.00 68.33 O +ATOM 1417 CB ASP A 179 -11.549 -13.479 -13.262 1.00 68.37 C +ATOM 1418 CG ASP A 179 -12.681 -12.760 -14.001 1.00 65.49 C +ATOM 1419 OD1 ASP A 179 -12.837 -11.544 -13.817 1.00 57.07 O +ATOM 1420 OD2 ASP A 179 -13.415 -13.439 -14.752 1.00 56.99 O +ATOM 1421 N GLY A 180 -9.309 -12.867 -10.889 1.00 74.59 N +ATOM 1422 CA GLY A 180 -8.452 -13.443 -9.881 1.00 73.73 C +ATOM 1423 C GLY A 180 -8.790 -12.896 -8.505 1.00 75.17 C +ATOM 1424 O GLY A 180 -9.640 -12.014 -8.365 1.00 70.87 O +ATOM 1425 N ASP A 181 -8.123 -13.404 -7.501 1.00 79.13 N +ATOM 1426 CA ASP A 181 -8.273 -12.931 -6.128 1.00 79.97 C +ATOM 1427 C ASP A 181 -7.808 -11.471 -6.031 1.00 81.32 C +ATOM 1428 O ASP A 181 -6.624 -11.167 -5.937 1.00 78.47 O +ATOM 1429 CB ASP A 181 -7.520 -13.837 -5.156 1.00 76.66 C +ATOM 1430 CG ASP A 181 -8.242 -15.148 -4.896 1.00 73.21 C +ATOM 1431 OD1 ASP A 181 -9.465 -15.221 -5.103 1.00 66.98 O +ATOM 1432 OD2 ASP A 181 -7.557 -16.098 -4.453 1.00 67.36 O +ATOM 1433 N SER A 182 -8.771 -10.591 -6.074 1.00 88.82 N +ATOM 1434 CA SER A 182 -8.568 -9.155 -6.012 1.00 89.19 C +ATOM 1435 C SER A 182 -8.997 -8.633 -4.641 1.00 89.64 C +ATOM 1436 O SER A 182 -10.029 -9.053 -4.118 1.00 88.56 O +ATOM 1437 CB SER A 182 -9.360 -8.477 -7.124 1.00 87.91 C +ATOM 1438 OG SER A 182 -8.787 -8.788 -8.384 1.00 84.14 O +ATOM 1439 N PRO A 183 -8.268 -7.686 -4.058 1.00 93.25 N +ATOM 1440 CA PRO A 183 -8.623 -7.071 -2.780 1.00 93.26 C +ATOM 1441 C PRO A 183 -9.791 -6.083 -2.949 1.00 93.58 C +ATOM 1442 O PRO A 183 -9.628 -4.882 -2.766 1.00 92.88 O +ATOM 1443 CB PRO A 183 -7.323 -6.440 -2.281 1.00 92.49 C +ATOM 1444 CG PRO A 183 -6.632 -6.006 -3.574 1.00 91.25 C +ATOM 1445 CD PRO A 183 -6.992 -7.144 -4.530 1.00 92.63 C +ATOM 1446 N VAL A 184 -10.966 -6.585 -3.293 1.00 95.34 N +ATOM 1447 CA VAL A 184 -12.121 -5.796 -3.719 1.00 95.35 C +ATOM 1448 C VAL A 184 -12.572 -4.753 -2.702 1.00 95.47 C +ATOM 1449 O VAL A 184 -12.984 -3.665 -3.098 1.00 95.01 O +ATOM 1450 CB VAL A 184 -13.311 -6.710 -4.098 1.00 94.82 C +ATOM 1451 CG1 VAL A 184 -12.951 -7.573 -5.312 1.00 93.47 C +ATOM 1452 CG2 VAL A 184 -13.773 -7.610 -2.954 1.00 93.20 C +ATOM 1453 N PHE A 185 -12.424 -5.012 -1.416 1.00 95.20 N +ATOM 1454 CA PHE A 185 -12.795 -4.070 -0.365 1.00 95.32 C +ATOM 1455 C PHE A 185 -11.874 -2.842 -0.277 1.00 95.36 C +ATOM 1456 O PHE A 185 -12.210 -1.876 0.403 1.00 95.03 O +ATOM 1457 CB PHE A 185 -12.844 -4.805 0.972 1.00 95.23 C +ATOM 1458 CG PHE A 185 -13.833 -5.955 0.987 1.00 95.26 C +ATOM 1459 CD1 PHE A 185 -15.213 -5.709 0.927 1.00 94.72 C +ATOM 1460 CD2 PHE A 185 -13.374 -7.281 1.054 1.00 94.71 C +ATOM 1461 CE1 PHE A 185 -16.110 -6.781 0.960 1.00 94.07 C +ATOM 1462 CE2 PHE A 185 -14.272 -8.345 1.086 1.00 94.02 C +ATOM 1463 CZ PHE A 185 -15.633 -8.094 1.036 1.00 94.06 C +ATOM 1464 N TRP A 186 -10.769 -2.851 -0.960 1.00 95.10 N +ATOM 1465 CA TRP A 186 -9.891 -1.691 -1.138 1.00 95.13 C +ATOM 1466 C TRP A 186 -10.064 -1.009 -2.505 1.00 95.19 C +ATOM 1467 O TRP A 186 -9.386 -0.030 -2.776 1.00 95.02 O +ATOM 1468 CB TRP A 186 -8.426 -2.102 -0.928 1.00 95.17 C +ATOM 1469 CG TRP A 186 -8.055 -2.377 0.501 1.00 95.37 C +ATOM 1470 CD1 TRP A 186 -7.378 -1.549 1.320 1.00 95.20 C +ATOM 1471 CD2 TRP A 186 -8.381 -3.575 1.299 1.00 95.35 C +ATOM 1472 NE1 TRP A 186 -7.248 -2.136 2.581 1.00 94.99 N +ATOM 1473 CE2 TRP A 186 -7.873 -3.366 2.607 1.00 95.08 C +ATOM 1474 CE3 TRP A 186 -9.051 -4.790 1.043 1.00 95.04 C +ATOM 1475 CZ2 TRP A 186 -8.033 -4.322 3.650 1.00 94.64 C +ATOM 1476 CZ3 TRP A 186 -9.215 -5.745 2.081 1.00 94.72 C +ATOM 1477 CH2 TRP A 186 -8.711 -5.497 3.369 1.00 94.56 C +ATOM 1478 N TYR A 187 -10.922 -1.539 -3.362 1.00 95.93 N +ATOM 1479 CA TYR A 187 -11.058 -1.057 -4.725 1.00 95.86 C +ATOM 1480 C TYR A 187 -12.108 0.036 -4.866 1.00 96.05 C +ATOM 1481 O TYR A 187 -13.201 -0.049 -4.318 1.00 95.69 O +ATOM 1482 CB TYR A 187 -11.307 -2.215 -5.683 1.00 95.47 C +ATOM 1483 CG TYR A 187 -10.090 -3.059 -6.047 1.00 94.62 C +ATOM 1484 CD1 TYR A 187 -8.794 -2.798 -5.559 1.00 93.46 C +ATOM 1485 CD2 TYR A 187 -10.272 -4.120 -6.961 1.00 92.73 C +ATOM 1486 CE1 TYR A 187 -7.705 -3.568 -5.961 1.00 92.35 C +ATOM 1487 CE2 TYR A 187 -9.177 -4.899 -7.366 1.00 92.07 C +ATOM 1488 CZ TYR A 187 -7.902 -4.622 -6.875 1.00 92.19 C +ATOM 1489 OH TYR A 187 -6.826 -5.382 -7.272 1.00 91.76 O +ATOM 1490 N ALA A 188 -11.762 1.029 -5.668 1.00 95.79 N +ATOM 1491 CA ALA A 188 -12.671 2.068 -6.112 1.00 95.75 C +ATOM 1492 C ALA A 188 -13.747 1.531 -7.082 1.00 95.79 C +ATOM 1493 O ALA A 188 -13.537 0.504 -7.733 1.00 95.64 O +ATOM 1494 CB ALA A 188 -11.821 3.161 -6.754 1.00 95.63 C +ATOM 1495 N PRO A 189 -14.852 2.248 -7.261 1.00 95.40 N +ATOM 1496 CA PRO A 189 -15.942 1.824 -8.154 1.00 95.20 C +ATOM 1497 C PRO A 189 -15.504 1.499 -9.589 1.00 95.25 C +ATOM 1498 O PRO A 189 -15.920 0.481 -10.135 1.00 94.96 O +ATOM 1499 CB PRO A 189 -16.935 2.980 -8.132 1.00 94.90 C +ATOM 1500 CG PRO A 189 -16.743 3.586 -6.749 1.00 94.14 C +ATOM 1501 CD PRO A 189 -15.247 3.436 -6.523 1.00 94.91 C +ATOM 1502 N GLU A 190 -14.627 2.291 -10.175 1.00 95.13 N +ATOM 1503 CA GLU A 190 -14.127 2.043 -11.543 1.00 95.08 C +ATOM 1504 C GLU A 190 -13.298 0.753 -11.652 1.00 94.97 C +ATOM 1505 O GLU A 190 -13.271 0.136 -12.720 1.00 94.43 O +ATOM 1506 CB GLU A 190 -13.301 3.251 -12.029 1.00 94.87 C +ATOM 1507 CG GLU A 190 -11.946 3.503 -11.369 1.00 94.15 C +ATOM 1508 CD GLU A 190 -11.963 4.256 -10.028 1.00 94.12 C +ATOM 1509 OE1 GLU A 190 -10.893 4.515 -9.479 1.00 88.00 O +ATOM 1510 OE2 GLU A 190 -13.042 4.623 -9.545 1.00 86.87 O +ATOM 1511 N CYS A 191 -12.666 0.315 -10.562 1.00 95.39 N +ATOM 1512 CA CYS A 191 -11.947 -0.950 -10.531 1.00 95.25 C +ATOM 1513 C CYS A 191 -12.919 -2.136 -10.482 1.00 95.18 C +ATOM 1514 O CYS A 191 -12.710 -3.144 -11.160 1.00 94.71 O +ATOM 1515 CB CYS A 191 -11.020 -0.997 -9.313 1.00 95.09 C +ATOM 1516 SG CYS A 191 -9.889 0.416 -9.256 1.00 94.56 S +ATOM 1517 N LEU A 192 -13.975 -1.997 -9.709 1.00 94.69 N +ATOM 1518 CA LEU A 192 -14.984 -3.040 -9.535 1.00 94.62 C +ATOM 1519 C LEU A 192 -15.864 -3.219 -10.776 1.00 94.56 C +ATOM 1520 O LEU A 192 -16.200 -4.334 -11.135 1.00 94.16 O +ATOM 1521 CB LEU A 192 -15.862 -2.691 -8.332 1.00 94.55 C +ATOM 1522 CG LEU A 192 -15.130 -2.625 -6.963 1.00 94.11 C +ATOM 1523 CD1 LEU A 192 -16.108 -2.164 -5.881 1.00 93.42 C +ATOM 1524 CD2 LEU A 192 -14.589 -3.994 -6.549 1.00 93.25 C +ATOM 1525 N LYS A 193 -16.242 -2.108 -11.377 1.00 94.36 N +ATOM 1526 CA LYS A 193 -17.252 -2.069 -12.462 1.00 94.04 C +ATOM 1527 C LYS A 193 -16.629 -2.143 -13.858 1.00 94.09 C +ATOM 1528 O LYS A 193 -17.185 -2.768 -14.745 1.00 93.13 O +ATOM 1529 CB LYS A 193 -18.089 -0.804 -12.272 1.00 93.12 C +ATOM 1530 CG LYS A 193 -19.331 -0.767 -13.117 1.00 88.63 C +ATOM 1531 CD LYS A 193 -20.141 0.463 -12.742 1.00 86.33 C +ATOM 1532 CE LYS A 193 -21.459 0.525 -13.505 1.00 79.43 C +ATOM 1533 NZ LYS A 193 -22.310 1.626 -12.980 1.00 73.87 N1+ +ATOM 1534 N GLU A 194 -15.508 -1.499 -14.054 1.00 93.88 N +ATOM 1535 CA GLU A 194 -14.903 -1.311 -15.371 1.00 93.65 C +ATOM 1536 C GLU A 194 -13.532 -1.961 -15.535 1.00 93.93 C +ATOM 1537 O GLU A 194 -12.965 -1.917 -16.627 1.00 92.61 O +ATOM 1538 CB GLU A 194 -14.801 0.173 -15.713 1.00 92.35 C +ATOM 1539 CG GLU A 194 -16.143 0.919 -15.676 1.00 85.44 C +ATOM 1540 CD GLU A 194 -16.002 2.374 -16.110 1.00 79.48 C +ATOM 1541 OE1 GLU A 194 -17.013 3.073 -16.102 1.00 68.06 O +ATOM 1542 OE2 GLU A 194 -14.875 2.787 -16.518 1.00 65.28 O +ATOM 1543 N TYR A 195 -13.022 -2.543 -14.506 1.00 93.45 N +ATOM 1544 CA TYR A 195 -11.662 -3.106 -14.440 1.00 93.30 C +ATOM 1545 C TYR A 195 -10.557 -2.109 -14.808 1.00 93.62 C +ATOM 1546 O TYR A 195 -9.486 -2.485 -15.280 1.00 92.46 O +ATOM 1547 CB TYR A 195 -11.585 -4.395 -15.237 1.00 92.05 C +ATOM 1548 CG TYR A 195 -12.618 -5.438 -14.827 1.00 89.37 C +ATOM 1549 CD1 TYR A 195 -12.301 -6.380 -13.832 1.00 85.66 C +ATOM 1550 CD2 TYR A 195 -13.894 -5.472 -15.436 1.00 83.22 C +ATOM 1551 CE1 TYR A 195 -13.247 -7.343 -13.441 1.00 78.63 C +ATOM 1552 CE2 TYR A 195 -14.853 -6.434 -15.056 1.00 79.75 C +ATOM 1553 CZ TYR A 195 -14.504 -7.354 -14.040 1.00 78.83 C +ATOM 1554 OH TYR A 195 -15.442 -8.311 -13.676 1.00 77.09 O +ATOM 1555 N LYS A 196 -10.830 -0.836 -14.592 1.00 94.16 N +ATOM 1556 CA LYS A 196 -9.885 0.255 -14.837 1.00 93.87 C +ATOM 1557 C LYS A 196 -9.190 0.670 -13.546 1.00 94.04 C +ATOM 1558 O LYS A 196 -9.841 0.891 -12.540 1.00 93.18 O +ATOM 1559 CB LYS A 196 -10.598 1.461 -15.446 1.00 93.11 C +ATOM 1560 CG LYS A 196 -11.102 1.227 -16.881 1.00 90.00 C +ATOM 1561 CD LYS A 196 -11.842 2.474 -17.332 1.00 87.26 C +ATOM 1562 CE LYS A 196 -12.557 2.309 -18.697 1.00 82.67 C +ATOM 1563 NZ LYS A 196 -13.576 3.374 -18.856 1.00 77.94 N1+ +ATOM 1564 N PHE A 197 -7.894 0.833 -13.621 1.00 94.21 N +ATOM 1565 CA PHE A 197 -7.058 1.269 -12.519 1.00 94.34 C +ATOM 1566 C PHE A 197 -6.327 2.544 -12.904 1.00 94.28 C +ATOM 1567 O PHE A 197 -5.426 2.514 -13.738 1.00 93.02 O +ATOM 1568 CB PHE A 197 -6.077 0.165 -12.141 1.00 93.44 C +ATOM 1569 CG PHE A 197 -6.741 -1.049 -11.529 1.00 91.31 C +ATOM 1570 CD1 PHE A 197 -6.786 -1.199 -10.142 1.00 87.31 C +ATOM 1571 CD2 PHE A 197 -7.339 -2.012 -12.360 1.00 88.75 C +ATOM 1572 CE1 PHE A 197 -7.445 -2.307 -9.574 1.00 87.90 C +ATOM 1573 CE2 PHE A 197 -8.009 -3.112 -11.807 1.00 87.40 C +ATOM 1574 CZ PHE A 197 -8.058 -3.258 -10.408 1.00 87.18 C +ATOM 1575 N TYR A 198 -6.734 3.623 -12.288 1.00 94.97 N +ATOM 1576 CA TYR A 198 -6.097 4.936 -12.380 1.00 94.81 C +ATOM 1577 C TYR A 198 -5.125 5.121 -11.221 1.00 94.90 C +ATOM 1578 O TYR A 198 -5.194 4.419 -10.215 1.00 94.32 O +ATOM 1579 CB TYR A 198 -7.178 6.015 -12.346 1.00 94.28 C +ATOM 1580 CG TYR A 198 -8.151 5.961 -13.503 1.00 93.62 C +ATOM 1581 CD1 TYR A 198 -7.964 6.802 -14.613 1.00 92.43 C +ATOM 1582 CD2 TYR A 198 -9.240 5.073 -13.486 1.00 91.32 C +ATOM 1583 CE1 TYR A 198 -8.872 6.762 -15.691 1.00 90.59 C +ATOM 1584 CE2 TYR A 198 -10.145 5.027 -14.554 1.00 91.49 C +ATOM 1585 CZ TYR A 198 -9.957 5.868 -15.664 1.00 91.31 C +ATOM 1586 OH TYR A 198 -10.842 5.828 -16.729 1.00 89.40 O +ATOM 1587 N TYR A 199 -4.286 6.146 -11.285 1.00 96.02 N +ATOM 1588 CA TYR A 199 -3.553 6.612 -10.111 1.00 95.95 C +ATOM 1589 C TYR A 199 -4.494 6.950 -8.948 1.00 96.01 C +ATOM 1590 O TYR A 199 -4.263 6.560 -7.807 1.00 95.62 O +ATOM 1591 CB TYR A 199 -2.711 7.829 -10.488 1.00 95.65 C +ATOM 1592 CG TYR A 199 -1.640 7.546 -11.528 1.00 95.27 C +ATOM 1593 CD1 TYR A 199 -0.548 6.721 -11.199 1.00 94.54 C +ATOM 1594 CD2 TYR A 199 -1.736 8.112 -12.816 1.00 94.28 C +ATOM 1595 CE1 TYR A 199 0.461 6.471 -12.159 1.00 93.70 C +ATOM 1596 CE2 TYR A 199 -0.733 7.861 -13.773 1.00 93.65 C +ATOM 1597 CZ TYR A 199 0.353 7.044 -13.438 1.00 93.68 C +ATOM 1598 OH TYR A 199 1.346 6.798 -14.362 1.00 92.51 O +ATOM 1599 N ALA A 200 -5.615 7.566 -9.267 1.00 95.63 N +ATOM 1600 CA ALA A 200 -6.669 7.868 -8.303 1.00 95.54 C +ATOM 1601 C ALA A 200 -7.313 6.612 -7.672 1.00 95.77 C +ATOM 1602 O ALA A 200 -7.942 6.718 -6.620 1.00 95.45 O +ATOM 1603 CB ALA A 200 -7.704 8.724 -9.014 1.00 95.07 C +ATOM 1604 N SER A 201 -7.167 5.433 -8.270 1.00 96.22 N +ATOM 1605 CA SER A 201 -7.639 4.185 -7.668 1.00 96.17 C +ATOM 1606 C SER A 201 -6.745 3.749 -6.503 1.00 96.27 C +ATOM 1607 O SER A 201 -7.252 3.246 -5.507 1.00 96.05 O +ATOM 1608 CB SER A 201 -7.728 3.067 -8.704 1.00 95.98 C +ATOM 1609 OG SER A 201 -8.409 3.498 -9.880 1.00 95.48 O +ATOM 1610 N ASP A 202 -5.457 4.028 -6.581 1.00 96.55 N +ATOM 1611 CA ASP A 202 -4.564 3.855 -5.434 1.00 96.52 C +ATOM 1612 C ASP A 202 -4.868 4.846 -4.315 1.00 96.56 C +ATOM 1613 O ASP A 202 -4.792 4.488 -3.137 1.00 96.28 O +ATOM 1614 CB ASP A 202 -3.101 4.002 -5.860 1.00 96.43 C +ATOM 1615 CG ASP A 202 -2.497 2.790 -6.559 1.00 96.25 C +ATOM 1616 OD1 ASP A 202 -3.036 1.666 -6.436 1.00 95.45 O +ATOM 1617 OD2 ASP A 202 -1.418 2.967 -7.167 1.00 95.00 O +ATOM 1618 N VAL A 203 -5.276 6.062 -4.662 1.00 96.31 N +ATOM 1619 CA VAL A 203 -5.717 7.060 -3.665 1.00 96.39 C +ATOM 1620 C VAL A 203 -6.961 6.573 -2.912 1.00 96.44 C +ATOM 1621 O VAL A 203 -7.040 6.731 -1.693 1.00 96.28 O +ATOM 1622 CB VAL A 203 -5.980 8.422 -4.319 1.00 96.34 C +ATOM 1623 CG1 VAL A 203 -4.687 8.985 -4.915 1.00 96.15 C +ATOM 1624 CG2 VAL A 203 -6.503 9.439 -3.302 1.00 96.20 C +ATOM 1625 N TRP A 204 -7.883 5.929 -3.599 1.00 96.36 N +ATOM 1626 CA TRP A 204 -9.005 5.270 -2.921 1.00 96.35 C +ATOM 1627 C TRP A 204 -8.514 4.210 -1.926 1.00 96.31 C +ATOM 1628 O TRP A 204 -8.906 4.214 -0.761 1.00 96.04 O +ATOM 1629 CB TRP A 204 -9.949 4.650 -3.948 1.00 96.36 C +ATOM 1630 CG TRP A 204 -11.114 3.924 -3.341 1.00 96.45 C +ATOM 1631 CD1 TRP A 204 -11.071 2.764 -2.642 1.00 96.07 C +ATOM 1632 CD2 TRP A 204 -12.520 4.332 -3.371 1.00 96.16 C +ATOM 1633 NE1 TRP A 204 -12.356 2.435 -2.221 1.00 95.85 N +ATOM 1634 CE2 TRP A 204 -13.257 3.372 -2.645 1.00 96.04 C +ATOM 1635 CE3 TRP A 204 -13.213 5.418 -3.946 1.00 96.08 C +ATOM 1636 CZ2 TRP A 204 -14.664 3.478 -2.465 1.00 95.74 C +ATOM 1637 CZ3 TRP A 204 -14.616 5.520 -3.789 1.00 95.79 C +ATOM 1638 CH2 TRP A 204 -15.324 4.561 -3.056 1.00 95.67 C +ATOM 1639 N SER A 205 -7.628 3.338 -2.365 1.00 96.15 N +ATOM 1640 CA SER A 205 -7.033 2.300 -1.514 1.00 96.05 C +ATOM 1641 C SER A 205 -6.278 2.889 -0.325 1.00 96.14 C +ATOM 1642 O SER A 205 -6.348 2.344 0.773 1.00 95.93 O +ATOM 1643 CB SER A 205 -6.091 1.415 -2.320 1.00 95.84 C +ATOM 1644 OG SER A 205 -6.757 0.871 -3.452 1.00 94.84 O +ATOM 1645 N PHE A 206 -5.621 4.016 -0.518 1.00 96.77 N +ATOM 1646 CA PHE A 206 -5.006 4.764 0.573 1.00 96.79 C +ATOM 1647 C PHE A 206 -6.041 5.241 1.598 1.00 96.82 C +ATOM 1648 O PHE A 206 -5.807 5.084 2.794 1.00 96.67 O +ATOM 1649 CB PHE A 206 -4.210 5.945 0.028 1.00 96.79 C +ATOM 1650 CG PHE A 206 -3.728 6.867 1.126 1.00 96.84 C +ATOM 1651 CD1 PHE A 206 -2.677 6.467 1.960 1.00 96.56 C +ATOM 1652 CD2 PHE A 206 -4.402 8.067 1.390 1.00 96.59 C +ATOM 1653 CE1 PHE A 206 -2.293 7.258 3.054 1.00 96.35 C +ATOM 1654 CE2 PHE A 206 -4.026 8.864 2.482 1.00 96.33 C +ATOM 1655 CZ PHE A 206 -2.969 8.458 3.320 1.00 96.29 C +ATOM 1656 N GLY A 207 -7.167 5.744 1.170 1.00 96.56 N +ATOM 1657 CA GLY A 207 -8.250 6.105 2.091 1.00 96.48 C +ATOM 1658 C GLY A 207 -8.701 4.913 2.940 1.00 96.63 C +ATOM 1659 O GLY A 207 -8.881 5.044 4.156 1.00 96.42 O +ATOM 1660 N VAL A 208 -8.803 3.735 2.339 1.00 96.50 N +ATOM 1661 CA VAL A 208 -9.104 2.485 3.062 1.00 96.48 C +ATOM 1662 C VAL A 208 -7.946 2.082 3.980 1.00 96.45 C +ATOM 1663 O VAL A 208 -8.178 1.660 5.110 1.00 96.29 O +ATOM 1664 CB VAL A 208 -9.461 1.350 2.087 1.00 96.48 C +ATOM 1665 CG1 VAL A 208 -10.639 1.735 1.170 1.00 96.32 C +ATOM 1666 CG2 VAL A 208 -9.899 0.096 2.855 1.00 96.42 C +ATOM 1667 N THR A 209 -6.719 2.267 3.547 1.00 96.50 N +ATOM 1668 CA THR A 209 -5.533 2.017 4.389 1.00 96.49 C +ATOM 1669 C THR A 209 -5.496 2.972 5.581 1.00 96.52 C +ATOM 1670 O THR A 209 -5.263 2.529 6.702 1.00 96.34 O +ATOM 1671 CB THR A 209 -4.239 2.142 3.575 1.00 96.45 C +ATOM 1672 OG1 THR A 209 -4.300 1.297 2.458 1.00 95.99 O +ATOM 1673 CG2 THR A 209 -3.004 1.751 4.374 1.00 95.85 C +ATOM 1674 N LEU A 210 -5.800 4.233 5.378 1.00 96.89 N +ATOM 1675 CA LEU A 210 -5.886 5.222 6.448 1.00 96.80 C +ATOM 1676 C LEU A 210 -6.977 4.840 7.463 1.00 96.83 C +ATOM 1677 O LEU A 210 -6.732 4.909 8.671 1.00 96.71 O +ATOM 1678 CB LEU A 210 -6.119 6.603 5.815 1.00 96.69 C +ATOM 1679 CG LEU A 210 -6.154 7.768 6.824 1.00 96.12 C +ATOM 1680 CD1 LEU A 210 -6.356 9.082 6.060 1.00 95.60 C +ATOM 1681 CD2 LEU A 210 -4.853 7.890 7.634 1.00 95.14 C +ATOM 1682 N TYR A 211 -8.112 4.342 6.989 1.00 96.24 N +ATOM 1683 CA TYR A 211 -9.138 3.769 7.865 1.00 96.24 C +ATOM 1684 C TYR A 211 -8.598 2.594 8.691 1.00 96.18 C +ATOM 1685 O TYR A 211 -8.805 2.561 9.900 1.00 95.95 O +ATOM 1686 CB TYR A 211 -10.362 3.368 7.026 1.00 96.24 C +ATOM 1687 CG TYR A 211 -11.365 2.528 7.768 1.00 96.26 C +ATOM 1688 CD1 TYR A 211 -12.424 3.135 8.468 1.00 95.91 C +ATOM 1689 CD2 TYR A 211 -11.221 1.125 7.816 1.00 95.89 C +ATOM 1690 CE1 TYR A 211 -13.329 2.354 9.218 1.00 95.55 C +ATOM 1691 CE2 TYR A 211 -12.112 0.344 8.558 1.00 95.50 C +ATOM 1692 CZ TYR A 211 -13.158 0.959 9.262 1.00 95.48 C +ATOM 1693 OH TYR A 211 -14.035 0.197 10.009 1.00 94.98 O +ATOM 1694 N GLU A 212 -7.863 1.687 8.073 1.00 96.34 N +ATOM 1695 CA GLU A 212 -7.220 0.583 8.796 1.00 96.33 C +ATOM 1696 C GLU A 212 -6.272 1.082 9.896 1.00 96.33 C +ATOM 1697 O GLU A 212 -6.326 0.582 11.021 1.00 96.08 O +ATOM 1698 CB GLU A 212 -6.438 -0.327 7.833 1.00 96.11 C +ATOM 1699 CG GLU A 212 -7.323 -1.126 6.876 1.00 95.30 C +ATOM 1700 CD GLU A 212 -6.456 -2.026 5.997 1.00 94.98 C +ATOM 1701 OE1 GLU A 212 -6.286 -3.204 6.337 1.00 87.99 O +ATOM 1702 OE2 GLU A 212 -5.913 -1.555 4.996 1.00 87.47 O +ATOM 1703 N LEU A 213 -5.465 2.087 9.615 1.00 96.60 N +ATOM 1704 CA LEU A 213 -4.561 2.680 10.613 1.00 96.43 C +ATOM 1705 C LEU A 213 -5.342 3.245 11.789 1.00 96.49 C +ATOM 1706 O LEU A 213 -5.032 2.947 12.949 1.00 96.21 O +ATOM 1707 CB LEU A 213 -3.678 3.775 9.992 1.00 96.20 C +ATOM 1708 CG LEU A 213 -2.777 3.348 8.822 1.00 95.30 C +ATOM 1709 CD1 LEU A 213 -1.847 4.494 8.454 1.00 94.58 C +ATOM 1710 CD2 LEU A 213 -1.949 2.128 9.137 1.00 93.89 C +ATOM 1711 N LEU A 214 -6.381 4.007 11.525 1.00 96.29 N +ATOM 1712 CA LEU A 214 -7.177 4.673 12.561 1.00 96.19 C +ATOM 1713 C LEU A 214 -8.072 3.710 13.354 1.00 96.21 C +ATOM 1714 O LEU A 214 -8.535 4.070 14.435 1.00 95.78 O +ATOM 1715 CB LEU A 214 -7.978 5.807 11.922 1.00 95.80 C +ATOM 1716 CG LEU A 214 -7.257 7.168 11.842 1.00 94.41 C +ATOM 1717 CD1 LEU A 214 -5.956 7.120 11.052 1.00 93.26 C +ATOM 1718 CD2 LEU A 214 -6.971 7.753 13.215 1.00 91.87 C +ATOM 1719 N THR A 215 -8.285 2.501 12.852 1.00 95.68 N +ATOM 1720 CA THR A 215 -8.900 1.389 13.598 1.00 95.56 C +ATOM 1721 C THR A 215 -7.879 0.487 14.276 1.00 95.53 C +ATOM 1722 O THR A 215 -8.256 -0.541 14.837 1.00 95.25 O +ATOM 1723 CB THR A 215 -9.842 0.566 12.714 1.00 95.42 C +ATOM 1724 OG1 THR A 215 -9.151 0.049 11.597 1.00 95.14 O +ATOM 1725 CG2 THR A 215 -11.019 1.384 12.208 1.00 95.09 C +ATOM 1726 N HIS A 216 -6.602 0.833 14.197 1.00 95.92 N +ATOM 1727 CA HIS A 216 -5.494 -0.007 14.658 1.00 95.73 C +ATOM 1728 C HIS A 216 -5.508 -1.421 14.036 1.00 95.77 C +ATOM 1729 O HIS A 216 -5.078 -2.374 14.683 1.00 95.29 O +ATOM 1730 CB HIS A 216 -5.425 -0.027 16.180 1.00 95.21 C +ATOM 1731 CG HIS A 216 -5.087 1.304 16.785 1.00 93.88 C +ATOM 1732 ND1 HIS A 216 -3.809 1.686 17.166 1.00 89.49 N1+ +ATOM 1733 CD2 HIS A 216 -5.922 2.340 17.053 1.00 86.25 C +ATOM 1734 CE1 HIS A 216 -3.885 2.931 17.676 1.00 86.41 C +ATOM 1735 NE2 HIS A 216 -5.159 3.365 17.619 1.00 88.53 N +ATOM 1736 N CYS A 217 -5.992 -1.560 12.836 1.00 95.46 N +ATOM 1737 CA CYS A 217 -6.208 -2.843 12.161 1.00 95.29 C +ATOM 1738 C CYS A 217 -7.013 -3.856 12.992 1.00 95.14 C +ATOM 1739 O CYS A 217 -6.799 -5.069 12.886 1.00 94.57 O +ATOM 1740 CB CYS A 217 -4.882 -3.403 11.645 1.00 94.96 C +ATOM 1741 SG CYS A 217 -4.092 -2.313 10.448 1.00 94.31 S +ATOM 1742 N ASP A 218 -7.938 -3.384 13.799 1.00 95.01 N +ATOM 1743 CA ASP A 218 -8.870 -4.260 14.512 1.00 94.90 C +ATOM 1744 C ASP A 218 -9.692 -5.079 13.507 1.00 95.03 C +ATOM 1745 O ASP A 218 -10.409 -4.534 12.672 1.00 94.52 O +ATOM 1746 CB ASP A 218 -9.755 -3.426 15.437 1.00 94.36 C +ATOM 1747 CG ASP A 218 -10.803 -4.233 16.201 1.00 92.81 C +ATOM 1748 OD1 ASP A 218 -10.937 -5.461 15.985 1.00 89.42 O +ATOM 1749 OD2 ASP A 218 -11.545 -3.601 16.989 1.00 87.47 O +ATOM 1750 N SER A 219 -9.593 -6.403 13.616 1.00 93.84 N +ATOM 1751 CA SER A 219 -10.255 -7.323 12.691 1.00 93.82 C +ATOM 1752 C SER A 219 -11.782 -7.185 12.704 1.00 94.06 C +ATOM 1753 O SER A 219 -12.417 -7.374 11.672 1.00 92.95 O +ATOM 1754 CB SER A 219 -9.858 -8.751 13.030 1.00 92.68 C +ATOM 1755 OG SER A 219 -10.213 -9.100 14.348 1.00 88.75 O +ATOM 1756 N SER A 220 -12.363 -6.806 13.842 1.00 94.58 N +ATOM 1757 CA SER A 220 -13.811 -6.547 13.950 1.00 94.39 C +ATOM 1758 C SER A 220 -14.248 -5.296 13.180 1.00 94.55 C +ATOM 1759 O SER A 220 -15.434 -5.166 12.843 1.00 93.89 O +ATOM 1760 CB SER A 220 -14.208 -6.447 15.418 1.00 93.64 C +ATOM 1761 OG SER A 220 -13.787 -5.247 16.024 1.00 90.76 O +ATOM 1762 N GLN A 221 -13.338 -4.406 12.922 1.00 94.29 N +ATOM 1763 CA GLN A 221 -13.562 -3.147 12.202 1.00 94.42 C +ATOM 1764 C GLN A 221 -12.918 -3.128 10.810 1.00 94.77 C +ATOM 1765 O GLN A 221 -12.989 -2.108 10.144 1.00 93.98 O +ATOM 1766 CB GLN A 221 -13.067 -1.975 13.050 1.00 93.58 C +ATOM 1767 CG GLN A 221 -13.779 -1.881 14.399 1.00 90.22 C +ATOM 1768 CD GLN A 221 -13.377 -0.611 15.154 1.00 88.11 C +ATOM 1769 OE1 GLN A 221 -13.601 0.493 14.700 1.00 80.93 O +ATOM 1770 NE2 GLN A 221 -12.780 -0.750 16.306 1.00 77.78 N +ATOM 1771 N SER A 222 -12.346 -4.231 10.382 1.00 94.87 N +ATOM 1772 CA SER A 222 -11.656 -4.301 9.083 1.00 94.89 C +ATOM 1773 C SER A 222 -12.593 -3.953 7.918 1.00 95.06 C +ATOM 1774 O SER A 222 -13.815 -4.183 8.031 1.00 94.70 O +ATOM 1775 CB SER A 222 -11.041 -5.689 8.885 1.00 94.39 C +ATOM 1776 OG SER A 222 -12.042 -6.673 8.666 1.00 92.86 O +ATOM 1777 N PRO A 223 -12.076 -3.458 6.794 1.00 95.13 N +ATOM 1778 CA PRO A 223 -12.897 -3.158 5.624 1.00 95.23 C +ATOM 1779 C PRO A 223 -13.768 -4.335 5.164 1.00 95.32 C +ATOM 1780 O PRO A 223 -14.975 -4.133 4.998 1.00 95.16 O +ATOM 1781 CB PRO A 223 -11.914 -2.679 4.544 1.00 95.09 C +ATOM 1782 CG PRO A 223 -10.758 -2.121 5.361 1.00 94.68 C +ATOM 1783 CD PRO A 223 -10.714 -3.021 6.590 1.00 95.40 C +ATOM 1784 N PRO A 224 -13.268 -5.575 5.057 1.00 94.38 N +ATOM 1785 CA PRO A 224 -14.125 -6.719 4.730 1.00 94.23 C +ATOM 1786 C PRO A 224 -15.270 -6.922 5.733 1.00 94.28 C +ATOM 1787 O PRO A 224 -16.418 -7.103 5.326 1.00 93.94 O +ATOM 1788 CB PRO A 224 -13.209 -7.942 4.715 1.00 93.84 C +ATOM 1789 CG PRO A 224 -11.839 -7.366 4.402 1.00 93.15 C +ATOM 1790 CD PRO A 224 -11.874 -6.021 5.107 1.00 94.13 C +ATOM 1791 N THR A 225 -14.977 -6.842 7.030 1.00 94.85 N +ATOM 1792 CA THR A 225 -15.987 -7.023 8.071 1.00 94.60 C +ATOM 1793 C THR A 225 -17.087 -5.967 7.969 1.00 94.83 C +ATOM 1794 O THR A 225 -18.249 -6.319 7.890 1.00 94.41 O +ATOM 1795 CB THR A 225 -15.337 -7.002 9.460 1.00 94.02 C +ATOM 1796 OG1 THR A 225 -14.398 -8.036 9.567 1.00 91.04 O +ATOM 1797 CG2 THR A 225 -16.349 -7.207 10.589 1.00 89.88 C +ATOM 1798 N LYS A 226 -16.696 -4.706 7.869 1.00 94.30 N +ATOM 1799 CA LYS A 226 -17.648 -3.598 7.798 1.00 94.21 C +ATOM 1800 C LYS A 226 -18.461 -3.594 6.511 1.00 94.37 C +ATOM 1801 O LYS A 226 -19.666 -3.382 6.562 1.00 93.80 O +ATOM 1802 CB LYS A 226 -16.920 -2.264 7.982 1.00 93.63 C +ATOM 1803 CG LYS A 226 -16.449 -2.054 9.441 1.00 91.12 C +ATOM 1804 CD LYS A 226 -17.630 -1.948 10.404 1.00 88.80 C +ATOM 1805 CE LYS A 226 -17.194 -1.950 11.857 1.00 85.41 C +ATOM 1806 NZ LYS A 226 -18.263 -2.497 12.710 1.00 81.05 N1+ +ATOM 1807 N PHE A 227 -17.872 -3.868 5.389 1.00 94.11 N +ATOM 1808 CA PHE A 227 -18.632 -3.962 4.151 1.00 94.20 C +ATOM 1809 C PHE A 227 -19.554 -5.173 4.112 1.00 94.15 C +ATOM 1810 O PHE A 227 -20.696 -5.023 3.689 1.00 94.00 O +ATOM 1811 CB PHE A 227 -17.678 -3.960 2.956 1.00 94.30 C +ATOM 1812 CG PHE A 227 -17.115 -2.592 2.594 1.00 94.63 C +ATOM 1813 CD1 PHE A 227 -17.973 -1.512 2.345 1.00 94.19 C +ATOM 1814 CD2 PHE A 227 -15.735 -2.416 2.450 1.00 94.26 C +ATOM 1815 CE1 PHE A 227 -17.464 -0.265 1.949 1.00 93.82 C +ATOM 1816 CE2 PHE A 227 -15.204 -1.171 2.056 1.00 93.83 C +ATOM 1817 CZ PHE A 227 -16.080 -0.098 1.807 1.00 93.87 C +ATOM 1818 N LEU A 228 -19.136 -6.321 4.617 1.00 93.48 N +ATOM 1819 CA LEU A 228 -20.014 -7.491 4.696 1.00 93.51 C +ATOM 1820 C LEU A 228 -21.176 -7.296 5.664 1.00 93.42 C +ATOM 1821 O LEU A 228 -22.280 -7.747 5.357 1.00 92.97 O +ATOM 1822 CB LEU A 228 -19.195 -8.733 5.054 1.00 93.32 C +ATOM 1823 CG LEU A 228 -18.279 -9.250 3.929 1.00 92.38 C +ATOM 1824 CD1 LEU A 228 -17.383 -10.372 4.453 1.00 91.33 C +ATOM 1825 CD2 LEU A 228 -19.073 -9.816 2.740 1.00 90.61 C +ATOM 1826 N GLU A 229 -21.010 -6.562 6.749 1.00 93.12 N +ATOM 1827 CA GLU A 229 -22.125 -6.143 7.599 1.00 92.85 C +ATOM 1828 C GLU A 229 -23.159 -5.298 6.852 1.00 92.89 C +ATOM 1829 O GLU A 229 -24.367 -5.466 7.060 1.00 91.94 O +ATOM 1830 CB GLU A 229 -21.598 -5.332 8.811 1.00 92.07 C +ATOM 1831 CG GLU A 229 -20.912 -6.198 9.894 1.00 88.51 C +ATOM 1832 CD GLU A 229 -20.155 -5.363 10.968 1.00 87.28 C +ATOM 1833 OE1 GLU A 229 -19.372 -5.946 11.732 1.00 79.97 O +ATOM 1834 OE2 GLU A 229 -20.325 -4.131 11.031 1.00 76.61 O +ATOM 1835 N LEU A 230 -22.705 -4.451 5.941 1.00 90.70 N +ATOM 1836 CA LEU A 230 -23.567 -3.558 5.159 1.00 90.52 C +ATOM 1837 C LEU A 230 -24.256 -4.253 3.982 1.00 90.67 C +ATOM 1838 O LEU A 230 -25.387 -3.905 3.634 1.00 89.54 O +ATOM 1839 CB LEU A 230 -22.726 -2.373 4.661 1.00 89.57 C +ATOM 1840 CG LEU A 230 -22.250 -1.403 5.757 1.00 86.68 C +ATOM 1841 CD1 LEU A 230 -21.280 -0.392 5.133 1.00 84.95 C +ATOM 1842 CD2 LEU A 230 -23.401 -0.641 6.379 1.00 84.52 C +ATOM 1843 N ILE A 231 -23.595 -5.199 3.341 1.00 90.37 N +ATOM 1844 CA ILE A 231 -24.157 -5.866 2.143 1.00 90.01 C +ATOM 1845 C ILE A 231 -24.790 -7.221 2.442 1.00 89.65 C +ATOM 1846 O ILE A 231 -25.461 -7.786 1.598 1.00 87.67 O +ATOM 1847 CB ILE A 231 -23.089 -5.990 1.030 1.00 89.25 C +ATOM 1848 CG1 ILE A 231 -21.975 -6.991 1.360 1.00 88.20 C +ATOM 1849 CG2 ILE A 231 -22.542 -4.604 0.663 1.00 87.68 C +ATOM 1850 CD1 ILE A 231 -20.919 -7.157 0.274 1.00 83.27 C +ATOM 1851 N GLY A 232 -24.576 -7.730 3.631 1.00 83.80 N +ATOM 1852 CA GLY A 232 -24.944 -9.088 4.036 1.00 83.22 C +ATOM 1853 C GLY A 232 -23.988 -10.148 3.500 1.00 83.84 C +ATOM 1854 O GLY A 232 -23.125 -9.887 2.656 1.00 81.33 O +ATOM 1855 N ILE A 233 -24.122 -11.363 3.991 1.00 77.50 N +ATOM 1856 CA ILE A 233 -23.275 -12.475 3.569 1.00 76.79 C +ATOM 1857 C ILE A 233 -23.452 -12.726 2.082 1.00 77.49 C +ATOM 1858 O ILE A 233 -24.549 -13.046 1.605 1.00 73.91 O +ATOM 1859 CB ILE A 233 -23.563 -13.747 4.399 1.00 72.90 C +ATOM 1860 CG1 ILE A 233 -23.315 -13.481 5.894 1.00 70.37 C +ATOM 1861 CG2 ILE A 233 -22.695 -14.924 3.900 1.00 69.07 C +ATOM 1862 CD1 ILE A 233 -23.653 -14.641 6.819 1.00 64.85 C +ATOM 1863 N ALA A 234 -22.396 -12.628 1.345 1.00 72.13 N +ATOM 1864 CA ALA A 234 -22.341 -12.883 -0.090 1.00 70.41 C +ATOM 1865 C ALA A 234 -20.995 -13.518 -0.458 1.00 71.81 C +ATOM 1866 O ALA A 234 -20.014 -13.415 0.272 1.00 67.92 O +ATOM 1867 CB ALA A 234 -22.568 -11.575 -0.836 1.00 64.83 C +ATOM 1868 N GLN A 235 -20.964 -14.182 -1.578 1.00 69.25 N +ATOM 1869 CA GLN A 235 -19.777 -14.883 -2.060 1.00 69.30 C +ATOM 1870 C GLN A 235 -19.487 -14.498 -3.527 1.00 69.91 C +ATOM 1871 O GLN A 235 -20.414 -14.232 -4.302 1.00 65.35 O +ATOM 1872 CB GLN A 235 -19.986 -16.398 -1.935 1.00 64.12 C +ATOM 1873 CG GLN A 235 -20.020 -16.879 -0.478 1.00 59.18 C +ATOM 1874 CD GLN A 235 -18.637 -17.068 0.152 1.00 54.46 C +ATOM 1875 OE1 GLN A 235 -17.690 -17.342 -0.533 1.00 45.92 O +ATOM 1876 NE2 GLN A 235 -18.530 -16.957 1.443 1.00 46.78 N +ATOM 1877 N GLY A 236 -18.230 -14.475 -3.891 1.00 73.97 N +ATOM 1878 CA GLY A 236 -17.772 -14.293 -5.269 1.00 74.46 C +ATOM 1879 C GLY A 236 -18.321 -13.035 -5.934 1.00 76.98 C +ATOM 1880 O GLY A 236 -18.274 -11.951 -5.355 1.00 73.89 O +ATOM 1881 N GLN A 237 -18.885 -13.191 -7.129 1.00 82.52 N +ATOM 1882 CA GLN A 237 -19.397 -12.068 -7.904 1.00 83.21 C +ATOM 1883 C GLN A 237 -20.536 -11.314 -7.222 1.00 84.57 C +ATOM 1884 O GLN A 237 -20.646 -10.113 -7.398 1.00 82.00 O +ATOM 1885 CB GLN A 237 -19.875 -12.567 -9.275 1.00 79.09 C +ATOM 1886 CG GLN A 237 -18.719 -13.027 -10.173 1.00 71.79 C +ATOM 1887 CD GLN A 237 -19.203 -13.377 -11.581 1.00 67.56 C +ATOM 1888 OE1 GLN A 237 -20.381 -13.512 -11.847 1.00 58.39 O +ATOM 1889 NE2 GLN A 237 -18.311 -13.526 -12.509 1.00 56.71 N +ATOM 1890 N MET A 238 -21.325 -11.989 -6.416 1.00 88.05 N +ATOM 1891 CA MET A 238 -22.409 -11.339 -5.680 1.00 88.97 C +ATOM 1892 C MET A 238 -21.901 -10.337 -4.663 1.00 89.84 C +ATOM 1893 O MET A 238 -22.527 -9.304 -4.456 1.00 88.31 O +ATOM 1894 CB MET A 238 -23.306 -12.407 -5.027 1.00 87.26 C +ATOM 1895 CG MET A 238 -24.658 -11.828 -4.609 1.00 80.98 C +ATOM 1896 SD MET A 238 -25.663 -11.308 -6.026 1.00 77.66 S +ATOM 1897 CE MET A 238 -27.165 -10.825 -5.138 1.00 68.69 C +ATOM 1898 N THR A 239 -20.758 -10.589 -4.059 1.00 91.24 N +ATOM 1899 CA THR A 239 -20.087 -9.640 -3.166 1.00 91.69 C +ATOM 1900 C THR A 239 -19.678 -8.391 -3.922 1.00 92.11 C +ATOM 1901 O THR A 239 -19.971 -7.290 -3.487 1.00 91.52 O +ATOM 1902 CB THR A 239 -18.865 -10.266 -2.500 1.00 91.19 C +ATOM 1903 OG1 THR A 239 -19.253 -11.394 -1.771 1.00 90.06 O +ATOM 1904 CG2 THR A 239 -18.144 -9.333 -1.517 1.00 89.75 C +ATOM 1905 N VAL A 240 -19.065 -8.553 -5.079 1.00 93.17 N +ATOM 1906 CA VAL A 240 -18.622 -7.425 -5.921 1.00 93.19 C +ATOM 1907 C VAL A 240 -19.811 -6.598 -6.395 1.00 93.42 C +ATOM 1908 O VAL A 240 -19.761 -5.370 -6.310 1.00 93.02 O +ATOM 1909 CB VAL A 240 -17.795 -7.934 -7.120 1.00 92.64 C +ATOM 1910 CG1 VAL A 240 -16.537 -8.651 -6.645 1.00 90.98 C +ATOM 1911 CG2 VAL A 240 -17.348 -6.768 -8.005 1.00 90.55 C +ATOM 1912 N LEU A 241 -20.886 -7.238 -6.824 1.00 93.07 N +ATOM 1913 CA LEU A 241 -22.108 -6.556 -7.253 1.00 93.08 C +ATOM 1914 C LEU A 241 -22.694 -5.710 -6.120 1.00 93.49 C +ATOM 1915 O LEU A 241 -22.883 -4.502 -6.293 1.00 92.76 O +ATOM 1916 CB LEU A 241 -23.093 -7.602 -7.751 1.00 92.02 C +ATOM 1917 CG LEU A 241 -24.400 -7.003 -8.328 1.00 85.72 C +ATOM 1918 CD1 LEU A 241 -25.431 -8.095 -8.529 1.00 82.16 C +ATOM 1919 CD2 LEU A 241 -24.148 -6.311 -9.652 1.00 79.05 C +ATOM 1920 N ARG A 242 -22.925 -6.293 -4.988 1.00 92.44 N +ATOM 1921 CA ARG A 242 -23.485 -5.579 -3.824 1.00 92.38 C +ATOM 1922 C ARG A 242 -22.579 -4.494 -3.295 1.00 93.00 C +ATOM 1923 O ARG A 242 -23.080 -3.441 -2.900 1.00 92.72 O +ATOM 1924 CB ARG A 242 -23.805 -6.574 -2.706 1.00 91.68 C +ATOM 1925 CG ARG A 242 -24.992 -7.474 -3.021 1.00 87.53 C +ATOM 1926 CD ARG A 242 -25.190 -8.389 -1.829 1.00 85.30 C +ATOM 1927 NE ARG A 242 -26.287 -9.346 -2.024 1.00 79.69 N +ATOM 1928 CZ ARG A 242 -26.786 -10.145 -1.115 1.00 74.88 C +ATOM 1929 NH1 ARG A 242 -26.316 -10.141 0.117 1.00 70.98 N +ATOM 1930 NH2 ARG A 242 -27.745 -10.964 -1.402 1.00 70.63 N1+ +ATOM 1931 N LEU A 243 -21.279 -4.709 -3.297 1.00 94.43 N +ATOM 1932 CA LEU A 243 -20.301 -3.697 -2.913 1.00 94.39 C +ATOM 1933 C LEU A 243 -20.355 -2.513 -3.887 1.00 94.36 C +ATOM 1934 O LEU A 243 -20.407 -1.369 -3.441 1.00 94.28 O +ATOM 1935 CB LEU A 243 -18.913 -4.333 -2.851 1.00 94.45 C +ATOM 1936 CG LEU A 243 -17.785 -3.361 -2.491 1.00 94.11 C +ATOM 1937 CD1 LEU A 243 -16.459 -4.114 -2.480 1.00 93.60 C +ATOM 1938 CD2 LEU A 243 -17.975 -2.724 -1.117 1.00 93.37 C +ATOM 1939 N THR A 244 -20.418 -2.770 -5.177 1.00 94.35 N +ATOM 1940 CA THR A 244 -20.545 -1.723 -6.205 1.00 94.32 C +ATOM 1941 C THR A 244 -21.822 -0.910 -5.993 1.00 94.28 C +ATOM 1942 O THR A 244 -21.753 0.308 -5.921 1.00 93.78 O +ATOM 1943 CB THR A 244 -20.518 -2.321 -7.607 1.00 94.01 C +ATOM 1944 OG1 THR A 244 -19.340 -3.070 -7.783 1.00 92.89 O +ATOM 1945 CG2 THR A 244 -20.518 -1.250 -8.691 1.00 92.27 C +ATOM 1946 N GLU A 245 -22.937 -1.565 -5.820 1.00 94.40 N +ATOM 1947 CA GLU A 245 -24.229 -0.900 -5.553 1.00 94.04 C +ATOM 1948 C GLU A 245 -24.201 -0.052 -4.262 1.00 94.01 C +ATOM 1949 O GLU A 245 -24.774 1.035 -4.226 1.00 93.16 O +ATOM 1950 CB GLU A 245 -25.330 -1.951 -5.406 1.00 93.22 C +ATOM 1951 CG GLU A 245 -25.715 -2.624 -6.723 1.00 88.03 C +ATOM 1952 CD GLU A 245 -26.668 -3.822 -6.516 1.00 85.48 C +ATOM 1953 OE1 GLU A 245 -26.958 -4.493 -7.546 1.00 76.82 O +ATOM 1954 OE2 GLU A 245 -27.107 -4.077 -5.381 1.00 75.15 O +ATOM 1955 N LEU A 246 -23.549 -0.531 -3.225 1.00 94.63 N +ATOM 1956 CA LEU A 246 -23.398 0.179 -1.968 1.00 94.54 C +ATOM 1957 C LEU A 246 -22.575 1.459 -2.152 1.00 94.62 C +ATOM 1958 O LEU A 246 -22.978 2.519 -1.682 1.00 94.01 O +ATOM 1959 CB LEU A 246 -22.788 -0.793 -0.934 1.00 93.87 C +ATOM 1960 CG LEU A 246 -22.584 -0.201 0.466 1.00 91.29 C +ATOM 1961 CD1 LEU A 246 -21.159 0.308 0.667 1.00 89.16 C +ATOM 1962 CD2 LEU A 246 -22.850 -1.255 1.524 1.00 87.57 C +ATOM 1963 N LEU A 247 -21.453 1.355 -2.853 1.00 94.73 N +ATOM 1964 CA LEU A 247 -20.600 2.504 -3.130 1.00 94.71 C +ATOM 1965 C LEU A 247 -21.281 3.516 -4.055 1.00 94.48 C +ATOM 1966 O LEU A 247 -21.165 4.721 -3.813 1.00 94.13 O +ATOM 1967 CB LEU A 247 -19.261 2.022 -3.728 1.00 94.91 C +ATOM 1968 CG LEU A 247 -18.380 1.191 -2.779 1.00 95.04 C +ATOM 1969 CD1 LEU A 247 -17.123 0.754 -3.517 1.00 94.63 C +ATOM 1970 CD2 LEU A 247 -17.966 1.950 -1.531 1.00 94.57 C +ATOM 1971 N GLU A 248 -22.057 3.074 -5.050 1.00 94.43 N +ATOM 1972 CA GLU A 248 -22.852 3.937 -5.925 1.00 94.13 C +ATOM 1973 C GLU A 248 -23.968 4.687 -5.196 1.00 93.88 C +ATOM 1974 O GLU A 248 -24.264 5.832 -5.539 1.00 92.55 O +ATOM 1975 CB GLU A 248 -23.432 3.126 -7.082 1.00 93.20 C +ATOM 1976 CG GLU A 248 -22.343 2.768 -8.117 1.00 88.38 C +ATOM 1977 CD GLU A 248 -22.872 2.035 -9.352 1.00 85.54 C +ATOM 1978 OE1 GLU A 248 -22.126 1.984 -10.365 1.00 74.05 O +ATOM 1979 OE2 GLU A 248 -24.000 1.511 -9.350 1.00 72.08 O +ATOM 1980 N ARG A 249 -24.511 4.143 -4.139 1.00 94.81 N +ATOM 1981 CA ARG A 249 -25.439 4.858 -3.238 1.00 94.33 C +ATOM 1982 C ARG A 249 -24.742 5.877 -2.332 1.00 94.23 C +ATOM 1983 O ARG A 249 -25.439 6.564 -1.563 1.00 93.29 O +ATOM 1984 CB ARG A 249 -26.239 3.858 -2.397 1.00 93.52 C +ATOM 1985 CG ARG A 249 -27.247 3.064 -3.233 1.00 89.76 C +ATOM 1986 CD ARG A 249 -28.174 2.241 -2.334 1.00 87.14 C +ATOM 1987 NE ARG A 249 -27.472 1.365 -1.375 1.00 83.10 N +ATOM 1988 CZ ARG A 249 -27.136 0.092 -1.517 1.00 80.19 C +ATOM 1989 NH1 ARG A 249 -27.349 -0.558 -2.646 1.00 75.98 N +ATOM 1990 NH2 ARG A 249 -26.573 -0.550 -0.554 1.00 76.43 N1+ +ATOM 1991 N GLY A 250 -23.449 5.990 -2.383 1.00 94.49 N +ATOM 1992 CA GLY A 250 -22.656 6.914 -1.575 1.00 94.39 C +ATOM 1993 C GLY A 250 -22.324 6.403 -0.173 1.00 94.67 C +ATOM 1994 O GLY A 250 -21.756 7.163 0.614 1.00 94.11 O +ATOM 1995 N GLU A 251 -22.615 5.160 0.140 1.00 94.78 N +ATOM 1996 CA GLU A 251 -22.231 4.572 1.419 1.00 94.69 C +ATOM 1997 C GLU A 251 -20.715 4.353 1.482 1.00 94.97 C +ATOM 1998 O GLU A 251 -20.053 4.055 0.488 1.00 94.48 O +ATOM 1999 CB GLU A 251 -22.986 3.262 1.676 1.00 94.00 C +ATOM 2000 CG GLU A 251 -24.490 3.498 1.888 1.00 90.86 C +ATOM 2001 CD GLU A 251 -25.226 2.191 2.257 1.00 88.71 C +ATOM 2002 OE1 GLU A 251 -26.144 1.789 1.508 1.00 78.79 O +ATOM 2003 OE2 GLU A 251 -24.836 1.555 3.238 1.00 76.15 O +ATOM 2004 N ARG A 252 -20.144 4.535 2.653 1.00 94.14 N +ATOM 2005 CA ARG A 252 -18.704 4.430 2.898 1.00 94.26 C +ATOM 2006 C ARG A 252 -18.445 3.752 4.241 1.00 94.20 C +ATOM 2007 O ARG A 252 -19.336 3.603 5.067 1.00 93.79 O +ATOM 2008 CB ARG A 252 -18.064 5.837 2.894 1.00 94.27 C +ATOM 2009 CG ARG A 252 -18.167 6.574 1.540 1.00 94.33 C +ATOM 2010 CD ARG A 252 -17.406 5.851 0.427 1.00 94.20 C +ATOM 2011 NE ARG A 252 -17.435 6.593 -0.833 1.00 93.93 N +ATOM 2012 CZ ARG A 252 -18.321 6.478 -1.823 1.00 93.79 C +ATOM 2013 NH1 ARG A 252 -19.331 5.633 -1.761 1.00 93.34 N +ATOM 2014 NH2 ARG A 252 -18.205 7.197 -2.887 1.00 93.34 N1+ +ATOM 2015 N LEU A 253 -17.162 3.376 4.455 1.00 95.08 N +ATOM 2016 CA LEU A 253 -16.712 2.927 5.772 1.00 95.11 C +ATOM 2017 C LEU A 253 -17.034 4.006 6.829 1.00 95.09 C +ATOM 2018 O LEU A 253 -16.898 5.196 6.551 1.00 94.81 O +ATOM 2019 CB LEU A 253 -15.204 2.628 5.728 1.00 95.08 C +ATOM 2020 CG LEU A 253 -14.837 1.372 4.932 1.00 94.84 C +ATOM 2021 CD1 LEU A 253 -13.318 1.297 4.771 1.00 94.42 C +ATOM 2022 CD2 LEU A 253 -15.294 0.096 5.641 1.00 94.27 C +ATOM 2023 N PRO A 254 -17.430 3.625 8.028 1.00 95.74 N +ATOM 2024 CA PRO A 254 -17.773 4.563 9.096 1.00 95.58 C +ATOM 2025 C PRO A 254 -16.531 5.278 9.623 1.00 95.71 C +ATOM 2026 O PRO A 254 -15.410 4.805 9.462 1.00 95.33 O +ATOM 2027 CB PRO A 254 -18.456 3.719 10.173 1.00 95.13 C +ATOM 2028 CG PRO A 254 -17.774 2.364 10.040 1.00 94.20 C +ATOM 2029 CD PRO A 254 -17.566 2.255 8.526 1.00 94.82 C +ATOM 2030 N ARG A 255 -16.731 6.378 10.301 1.00 95.24 N +ATOM 2031 CA ARG A 255 -15.639 7.061 11.014 1.00 95.11 C +ATOM 2032 C ARG A 255 -15.132 6.164 12.151 1.00 94.99 C +ATOM 2033 O ARG A 255 -15.939 5.794 13.004 1.00 94.60 O +ATOM 2034 CB ARG A 255 -16.149 8.405 11.525 1.00 94.77 C +ATOM 2035 CG ARG A 255 -15.079 9.170 12.311 1.00 93.57 C +ATOM 2036 CD ARG A 255 -15.605 10.542 12.736 1.00 92.24 C +ATOM 2037 NE ARG A 255 -14.686 11.188 13.675 1.00 90.15 N +ATOM 2038 CZ ARG A 255 -14.933 12.280 14.369 1.00 88.80 C +ATOM 2039 NH1 ARG A 255 -16.059 12.931 14.236 1.00 86.96 N +ATOM 2040 NH2 ARG A 255 -14.062 12.722 15.213 1.00 87.64 N1+ +ATOM 2041 N PRO A 256 -13.818 5.842 12.191 1.00 94.73 N +ATOM 2042 CA PRO A 256 -13.236 5.098 13.305 1.00 94.71 C +ATOM 2043 C PRO A 256 -13.367 5.847 14.623 1.00 94.75 C +ATOM 2044 O PRO A 256 -13.350 7.074 14.661 1.00 94.33 O +ATOM 2045 CB PRO A 256 -11.769 4.888 12.937 1.00 94.54 C +ATOM 2046 CG PRO A 256 -11.751 4.985 11.415 1.00 94.06 C +ATOM 2047 CD PRO A 256 -12.845 6.029 11.157 1.00 94.88 C +ATOM 2048 N ASP A 257 -13.436 5.105 15.714 1.00 93.09 N +ATOM 2049 CA ASP A 257 -13.384 5.698 17.060 1.00 92.73 C +ATOM 2050 C ASP A 257 -12.102 6.513 17.240 1.00 92.95 C +ATOM 2051 O ASP A 257 -11.023 6.106 16.800 1.00 91.89 O +ATOM 2052 CB ASP A 257 -13.456 4.615 18.145 1.00 91.24 C +ATOM 2053 CG ASP A 257 -14.879 4.227 18.521 1.00 84.48 C +ATOM 2054 OD1 ASP A 257 -15.843 4.884 18.073 1.00 77.54 O +ATOM 2055 OD2 ASP A 257 -14.999 3.307 19.377 1.00 76.56 O +ATOM 2056 N LYS A 258 -12.193 7.625 17.855 1.00 91.55 N +ATOM 2057 CA LYS A 258 -11.093 8.579 18.078 1.00 91.31 C +ATOM 2058 C LYS A 258 -10.461 9.160 16.807 1.00 91.86 C +ATOM 2059 O LYS A 258 -9.542 9.955 16.931 1.00 90.45 O +ATOM 2060 CB LYS A 258 -10.032 7.965 19.009 1.00 89.55 C +ATOM 2061 CG LYS A 258 -10.603 7.357 20.299 1.00 83.10 C +ATOM 2062 CD LYS A 258 -9.496 6.629 21.065 1.00 77.55 C +ATOM 2063 CE LYS A 258 -10.098 5.933 22.290 1.00 70.59 C +ATOM 2064 NZ LYS A 258 -9.084 5.109 22.991 1.00 63.41 N1+ +ATOM 2065 N CYS A 259 -10.933 8.808 15.641 1.00 94.57 N +ATOM 2066 CA CYS A 259 -10.493 9.475 14.420 1.00 94.70 C +ATOM 2067 C CYS A 259 -11.004 10.922 14.420 1.00 94.82 C +ATOM 2068 O CYS A 259 -12.206 11.134 14.478 1.00 94.41 O +ATOM 2069 CB CYS A 259 -11.017 8.708 13.212 1.00 94.41 C +ATOM 2070 SG CYS A 259 -10.531 9.500 11.655 1.00 93.66 S +ATOM 2071 N PRO A 260 -10.128 11.936 14.303 1.00 94.99 N +ATOM 2072 CA PRO A 260 -10.539 13.327 14.180 1.00 94.87 C +ATOM 2073 C PRO A 260 -11.443 13.532 12.967 1.00 95.04 C +ATOM 2074 O PRO A 260 -11.255 12.890 11.935 1.00 94.65 O +ATOM 2075 CB PRO A 260 -9.263 14.137 14.071 1.00 94.32 C +ATOM 2076 CG PRO A 260 -8.207 13.258 14.755 1.00 93.08 C +ATOM 2077 CD PRO A 260 -8.668 11.860 14.372 1.00 93.81 C +ATOM 2078 N ALA A 261 -12.355 14.469 13.071 1.00 95.47 N +ATOM 2079 CA ALA A 261 -13.286 14.732 11.978 1.00 95.39 C +ATOM 2080 C ALA A 261 -12.576 15.157 10.688 1.00 95.54 C +ATOM 2081 O ALA A 261 -12.974 14.717 9.611 1.00 95.21 O +ATOM 2082 CB ALA A 261 -14.279 15.796 12.444 1.00 94.89 C +ATOM 2083 N GLU A 262 -11.534 15.937 10.797 1.00 95.16 N +ATOM 2084 CA GLU A 262 -10.726 16.379 9.644 1.00 94.95 C +ATOM 2085 C GLU A 262 -10.019 15.218 8.955 1.00 95.32 C +ATOM 2086 O GLU A 262 -9.997 15.176 7.730 1.00 94.69 O +ATOM 2087 CB GLU A 262 -9.739 17.476 10.102 1.00 94.05 C +ATOM 2088 CG GLU A 262 -8.668 17.015 11.093 1.00 87.21 C +ATOM 2089 CD GLU A 262 -7.895 18.169 11.774 1.00 84.02 C +ATOM 2090 OE1 GLU A 262 -7.432 17.950 12.912 1.00 71.95 O +ATOM 2091 OE2 GLU A 262 -7.805 19.275 11.215 1.00 68.79 O +ATOM 2092 N VAL A 263 -9.555 14.228 9.707 1.00 95.87 N +ATOM 2093 CA VAL A 263 -8.920 13.033 9.146 1.00 95.94 C +ATOM 2094 C VAL A 263 -9.950 12.136 8.467 1.00 96.04 C +ATOM 2095 O VAL A 263 -9.694 11.624 7.388 1.00 95.92 O +ATOM 2096 CB VAL A 263 -8.149 12.247 10.225 1.00 95.80 C +ATOM 2097 CG1 VAL A 263 -7.080 13.109 10.885 1.00 95.35 C +ATOM 2098 CG2 VAL A 263 -7.465 11.020 9.645 1.00 95.32 C +ATOM 2099 N TYR A 264 -11.130 12.013 9.038 1.00 96.10 N +ATOM 2100 CA TYR A 264 -12.214 11.299 8.369 1.00 96.07 C +ATOM 2101 C TYR A 264 -12.680 12.001 7.099 1.00 96.00 C +ATOM 2102 O TYR A 264 -12.981 11.352 6.093 1.00 95.71 O +ATOM 2103 CB TYR A 264 -13.358 11.091 9.330 1.00 96.01 C +ATOM 2104 CG TYR A 264 -14.467 10.233 8.748 1.00 95.94 C +ATOM 2105 CD1 TYR A 264 -14.167 8.908 8.333 1.00 95.57 C +ATOM 2106 CD2 TYR A 264 -15.757 10.725 8.585 1.00 95.39 C +ATOM 2107 CE1 TYR A 264 -15.168 8.091 7.786 1.00 94.97 C +ATOM 2108 CE2 TYR A 264 -16.768 9.918 8.052 1.00 95.01 C +ATOM 2109 CZ TYR A 264 -16.475 8.600 7.650 1.00 95.07 C +ATOM 2110 OH TYR A 264 -17.468 7.801 7.136 1.00 94.58 O +ATOM 2111 N HIS A 265 -12.683 13.338 7.088 1.00 95.60 N +ATOM 2112 CA HIS A 265 -12.954 14.096 5.866 1.00 95.33 C +ATOM 2113 C HIS A 265 -11.922 13.804 4.780 1.00 95.57 C +ATOM 2114 O HIS A 265 -12.310 13.631 3.637 1.00 95.11 O +ATOM 2115 CB HIS A 265 -13.012 15.591 6.212 1.00 94.70 C +ATOM 2116 CG HIS A 265 -14.224 16.266 5.643 1.00 91.91 C +ATOM 2117 ND1 HIS A 265 -15.448 16.430 6.315 1.00 85.45 N1+ +ATOM 2118 CD2 HIS A 265 -14.354 16.874 4.414 1.00 82.54 C +ATOM 2119 CE1 HIS A 265 -16.276 17.086 5.506 1.00 79.77 C +ATOM 2120 NE2 HIS A 265 -15.647 17.352 4.339 1.00 80.54 N +ATOM 2121 N LEU A 266 -10.686 13.716 5.158 1.00 95.93 N +ATOM 2122 CA LEU A 266 -9.599 13.325 4.248 1.00 95.86 C +ATOM 2123 C LEU A 266 -9.809 11.917 3.673 1.00 96.14 C +ATOM 2124 O LEU A 266 -9.645 11.720 2.471 1.00 95.84 O +ATOM 2125 CB LEU A 266 -8.264 13.429 5.002 1.00 95.29 C +ATOM 2126 CG LEU A 266 -7.048 13.322 4.099 1.00 92.38 C +ATOM 2127 CD1 LEU A 266 -5.786 13.166 4.951 1.00 89.75 C +ATOM 2128 CD2 LEU A 266 -6.895 14.566 3.245 1.00 86.28 C +ATOM 2129 N MET A 267 -10.228 10.949 4.496 1.00 96.11 N +ATOM 2130 CA MET A 267 -10.599 9.621 3.984 1.00 95.97 C +ATOM 2131 C MET A 267 -11.727 9.717 2.951 1.00 95.98 C +ATOM 2132 O MET A 267 -11.637 9.103 1.891 1.00 95.59 O +ATOM 2133 CB MET A 267 -11.068 8.689 5.106 1.00 95.65 C +ATOM 2134 CG MET A 267 -10.014 8.374 6.160 1.00 93.87 C +ATOM 2135 SD MET A 267 -10.691 7.325 7.474 1.00 92.49 S +ATOM 2136 CE MET A 267 -9.408 7.518 8.704 1.00 88.62 C +ATOM 2137 N LYS A 268 -12.761 10.484 3.255 1.00 96.02 N +ATOM 2138 CA LYS A 268 -13.894 10.668 2.340 1.00 95.84 C +ATOM 2139 C LYS A 268 -13.495 11.322 1.026 1.00 95.96 C +ATOM 2140 O LYS A 268 -14.001 10.899 -0.006 1.00 95.46 O +ATOM 2141 CB LYS A 268 -14.996 11.468 3.008 1.00 95.36 C +ATOM 2142 CG LYS A 268 -15.721 10.648 4.097 1.00 93.35 C +ATOM 2143 CD LYS A 268 -16.938 11.382 4.654 1.00 91.00 C +ATOM 2144 CE LYS A 268 -18.070 11.407 3.635 1.00 86.94 C +ATOM 2145 NZ LYS A 268 -19.322 12.014 4.187 1.00 82.00 N1+ +ATOM 2146 N ASN A 269 -12.565 12.255 1.044 1.00 96.15 N +ATOM 2147 CA ASN A 269 -12.030 12.846 -0.181 1.00 96.01 C +ATOM 2148 C ASN A 269 -11.282 11.810 -1.040 1.00 96.20 C +ATOM 2149 O ASN A 269 -11.388 11.837 -2.261 1.00 95.90 O +ATOM 2150 CB ASN A 269 -11.110 14.023 0.183 1.00 95.63 C +ATOM 2151 CG ASN A 269 -11.815 15.190 0.818 1.00 94.11 C +ATOM 2152 OD1 ASN A 269 -13.036 15.304 0.818 1.00 90.41 O +ATOM 2153 ND2 ASN A 269 -11.057 16.106 1.382 1.00 85.75 N +ATOM 2154 N CYS A 270 -10.595 10.865 -0.403 1.00 96.23 N +ATOM 2155 CA CYS A 270 -9.999 9.738 -1.114 1.00 96.24 C +ATOM 2156 C CYS A 270 -11.041 8.756 -1.673 1.00 96.20 C +ATOM 2157 O CYS A 270 -10.719 7.963 -2.558 1.00 95.95 O +ATOM 2158 CB CYS A 270 -9.036 8.988 -0.171 1.00 96.30 C +ATOM 2159 SG CYS A 270 -7.685 10.028 0.420 1.00 96.35 S +ATOM 2160 N TRP A 271 -12.268 8.809 -1.188 1.00 95.98 N +ATOM 2161 CA TRP A 271 -13.387 7.965 -1.610 1.00 95.96 C +ATOM 2162 C TRP A 271 -14.447 8.702 -2.430 1.00 95.78 C +ATOM 2163 O TRP A 271 -15.604 8.281 -2.477 1.00 95.40 O +ATOM 2164 CB TRP A 271 -14.013 7.302 -0.387 1.00 96.02 C +ATOM 2165 CG TRP A 271 -13.103 6.480 0.466 1.00 96.28 C +ATOM 2166 CD1 TRP A 271 -12.026 5.792 0.062 1.00 96.04 C +ATOM 2167 CD2 TRP A 271 -13.226 6.270 1.913 1.00 96.18 C +ATOM 2168 NE1 TRP A 271 -11.451 5.151 1.165 1.00 95.82 N +ATOM 2169 CE2 TRP A 271 -12.176 5.422 2.310 1.00 95.98 C +ATOM 2170 CE3 TRP A 271 -14.131 6.711 2.890 1.00 96.01 C +ATOM 2171 CZ2 TRP A 271 -12.013 5.009 3.661 1.00 95.78 C +ATOM 2172 CZ3 TRP A 271 -13.976 6.294 4.232 1.00 95.73 C +ATOM 2173 CH2 TRP A 271 -12.928 5.450 4.607 1.00 95.59 C +ATOM 2174 N GLU A 272 -14.063 9.787 -3.072 1.00 96.39 N +ATOM 2175 CA GLU A 272 -14.909 10.416 -4.078 1.00 96.21 C +ATOM 2176 C GLU A 272 -15.257 9.415 -5.195 1.00 96.22 C +ATOM 2177 O GLU A 272 -14.395 8.676 -5.685 1.00 95.68 O +ATOM 2178 CB GLU A 272 -14.229 11.658 -4.664 1.00 95.70 C +ATOM 2179 CG GLU A 272 -14.243 12.841 -3.715 1.00 93.64 C +ATOM 2180 CD GLU A 272 -15.648 13.390 -3.446 1.00 91.70 C +ATOM 2181 OE1 GLU A 272 -15.808 14.109 -2.423 1.00 80.05 O +ATOM 2182 OE2 GLU A 272 -16.567 13.123 -4.250 1.00 78.32 O +ATOM 2183 N THR A 273 -16.492 9.373 -5.602 1.00 95.14 N +ATOM 2184 CA THR A 273 -16.971 8.465 -6.664 1.00 95.02 C +ATOM 2185 C THR A 273 -16.287 8.753 -7.991 1.00 95.02 C +ATOM 2186 O THR A 273 -15.773 7.835 -8.626 1.00 94.47 O +ATOM 2187 CB THR A 273 -18.473 8.518 -6.814 1.00 94.48 C +ATOM 2188 OG1 THR A 273 -19.097 8.215 -5.587 1.00 92.61 O +ATOM 2189 CG2 THR A 273 -19.016 7.542 -7.848 1.00 91.54 C +ATOM 2190 N GLU A 274 -16.253 10.012 -8.370 1.00 95.01 N +ATOM 2191 CA GLU A 274 -15.482 10.461 -9.524 1.00 94.79 C +ATOM 2192 C GLU A 274 -13.982 10.465 -9.182 1.00 95.09 C +ATOM 2193 O GLU A 274 -13.525 11.163 -8.283 1.00 94.41 O +ATOM 2194 CB GLU A 274 -15.927 11.854 -9.963 1.00 93.69 C +ATOM 2195 CG GLU A 274 -17.130 11.807 -10.892 1.00 87.14 C +ATOM 2196 CD GLU A 274 -16.822 11.098 -12.202 1.00 83.00 C +ATOM 2197 OE1 GLU A 274 -17.756 10.453 -12.750 1.00 71.36 O +ATOM 2198 OE2 GLU A 274 -15.663 11.175 -12.651 1.00 68.95 O +ATOM 2199 N ALA A 275 -13.198 9.688 -9.934 1.00 95.17 N +ATOM 2200 CA ALA A 275 -11.763 9.563 -9.711 1.00 95.10 C +ATOM 2201 C ALA A 275 -11.032 10.912 -9.777 1.00 95.17 C +ATOM 2202 O ALA A 275 -10.112 11.144 -8.983 1.00 94.44 O +ATOM 2203 CB ALA A 275 -11.223 8.572 -10.747 1.00 94.54 C +ATOM 2204 N SER A 276 -11.471 11.793 -10.663 1.00 94.88 N +ATOM 2205 CA SER A 276 -10.890 13.140 -10.850 1.00 94.72 C +ATOM 2206 C SER A 276 -11.063 14.074 -9.643 1.00 95.07 C +ATOM 2207 O SER A 276 -10.334 15.055 -9.538 1.00 94.17 O +ATOM 2208 CB SER A 276 -11.540 13.786 -12.083 1.00 93.49 C +ATOM 2209 OG SER A 276 -12.947 13.781 -11.967 1.00 86.30 O +ATOM 2210 N PHE A 277 -11.987 13.793 -8.770 1.00 95.25 N +ATOM 2211 CA PHE A 277 -12.225 14.595 -7.569 1.00 95.15 C +ATOM 2212 C PHE A 277 -11.394 14.164 -6.370 1.00 95.31 C +ATOM 2213 O PHE A 277 -11.331 14.872 -5.356 1.00 94.86 O +ATOM 2214 CB PHE A 277 -13.703 14.586 -7.218 1.00 94.84 C +ATOM 2215 CG PHE A 277 -14.641 15.167 -8.263 1.00 94.26 C +ATOM 2216 CD1 PHE A 277 -14.172 15.955 -9.325 1.00 93.04 C +ATOM 2217 CD2 PHE A 277 -16.012 14.928 -8.137 1.00 92.26 C +ATOM 2218 CE1 PHE A 277 -15.062 16.486 -10.271 1.00 90.65 C +ATOM 2219 CE2 PHE A 277 -16.915 15.443 -9.066 1.00 91.12 C +ATOM 2220 CZ PHE A 277 -16.450 16.227 -10.132 1.00 91.19 C +ATOM 2221 N ARG A 278 -10.732 13.004 -6.440 1.00 95.77 N +ATOM 2222 CA ARG A 278 -9.845 12.542 -5.382 1.00 95.80 C +ATOM 2223 C ARG A 278 -8.544 13.361 -5.383 1.00 95.71 C +ATOM 2224 O ARG A 278 -8.033 13.702 -6.446 1.00 95.37 O +ATOM 2225 CB ARG A 278 -9.559 11.049 -5.542 1.00 95.82 C +ATOM 2226 CG ARG A 278 -10.827 10.200 -5.558 1.00 95.84 C +ATOM 2227 CD ARG A 278 -10.536 8.722 -5.815 1.00 95.60 C +ATOM 2228 NE ARG A 278 -11.738 8.047 -6.272 1.00 95.48 N +ATOM 2229 CZ ARG A 278 -11.822 7.012 -7.098 1.00 95.56 C +ATOM 2230 NH1 ARG A 278 -10.770 6.381 -7.524 1.00 94.91 N +ATOM 2231 NH2 ARG A 278 -12.977 6.611 -7.512 1.00 95.00 N1+ +ATOM 2232 N PRO A 279 -7.964 13.633 -4.221 1.00 96.12 N +ATOM 2233 CA PRO A 279 -6.647 14.259 -4.154 1.00 96.07 C +ATOM 2234 C PRO A 279 -5.582 13.337 -4.747 1.00 96.20 C +ATOM 2235 O PRO A 279 -5.740 12.130 -4.766 1.00 95.82 O +ATOM 2236 CB PRO A 279 -6.403 14.530 -2.668 1.00 95.77 C +ATOM 2237 CG PRO A 279 -7.214 13.442 -1.964 1.00 95.17 C +ATOM 2238 CD PRO A 279 -8.417 13.250 -2.880 1.00 95.83 C +ATOM 2239 N THR A 280 -4.482 13.888 -5.203 1.00 96.34 N +ATOM 2240 CA THR A 280 -3.290 13.111 -5.527 1.00 96.29 C +ATOM 2241 C THR A 280 -2.477 12.829 -4.266 1.00 96.39 C +ATOM 2242 O THR A 280 -2.644 13.491 -3.240 1.00 96.13 O +ATOM 2243 CB THR A 280 -2.421 13.818 -6.579 1.00 96.05 C +ATOM 2244 OG1 THR A 280 -1.831 14.972 -6.020 1.00 95.59 O +ATOM 2245 CG2 THR A 280 -3.190 14.206 -7.821 1.00 95.51 C +ATOM 2246 N PHE A 281 -1.543 11.897 -4.328 1.00 96.47 N +ATOM 2247 CA PHE A 281 -0.611 11.680 -3.213 1.00 96.49 C +ATOM 2248 C PHE A 281 0.249 12.910 -2.928 1.00 96.46 C +ATOM 2249 O PHE A 281 0.456 13.238 -1.764 1.00 96.22 O +ATOM 2250 CB PHE A 281 0.249 10.449 -3.492 1.00 96.53 C +ATOM 2251 CG PHE A 281 -0.515 9.153 -3.321 1.00 96.70 C +ATOM 2252 CD1 PHE A 281 -1.004 8.786 -2.054 1.00 96.44 C +ATOM 2253 CD2 PHE A 281 -0.734 8.295 -4.413 1.00 96.47 C +ATOM 2254 CE1 PHE A 281 -1.716 7.586 -1.875 1.00 96.23 C +ATOM 2255 CE2 PHE A 281 -1.446 7.094 -4.243 1.00 96.24 C +ATOM 2256 CZ PHE A 281 -1.942 6.741 -2.977 1.00 96.24 C +ATOM 2257 N GLU A 282 0.647 13.660 -3.956 1.00 96.51 N +ATOM 2258 CA GLU A 282 1.350 14.939 -3.775 1.00 96.26 C +ATOM 2259 C GLU A 282 0.511 15.968 -3.010 1.00 96.44 C +ATOM 2260 O GLU A 282 1.050 16.703 -2.176 1.00 95.82 O +ATOM 2261 CB GLU A 282 1.752 15.553 -5.128 1.00 95.46 C +ATOM 2262 CG GLU A 282 2.958 14.852 -5.754 1.00 88.38 C +ATOM 2263 CD GLU A 282 3.522 15.603 -6.958 1.00 84.55 C +ATOM 2264 OE1 GLU A 282 4.740 15.503 -7.210 1.00 70.99 O +ATOM 2265 OE2 GLU A 282 2.728 16.310 -7.627 1.00 68.89 O +ATOM 2266 N ASN A 283 -0.783 15.989 -3.224 1.00 96.07 N +ATOM 2267 CA ASN A 283 -1.669 16.875 -2.461 1.00 96.02 C +ATOM 2268 C ASN A 283 -1.842 16.399 -1.020 1.00 96.18 C +ATOM 2269 O ASN A 283 -2.003 17.224 -0.122 1.00 95.78 O +ATOM 2270 CB ASN A 283 -3.051 16.965 -3.134 1.00 95.60 C +ATOM 2271 CG ASN A 283 -3.022 17.440 -4.573 1.00 94.05 C +ATOM 2272 OD1 ASN A 283 -3.701 16.882 -5.408 1.00 91.33 O +ATOM 2273 ND2 ASN A 283 -2.249 18.445 -4.908 1.00 88.11 N +ATOM 2274 N LEU A 284 -1.822 15.105 -0.791 1.00 96.32 N +ATOM 2275 CA LEU A 284 -2.030 14.499 0.528 1.00 96.36 C +ATOM 2276 C LEU A 284 -0.837 14.717 1.466 1.00 96.39 C +ATOM 2277 O LEU A 284 -1.050 14.942 2.656 1.00 96.14 O +ATOM 2278 CB LEU A 284 -2.330 13.009 0.356 1.00 96.41 C +ATOM 2279 CG LEU A 284 -3.723 12.700 -0.214 1.00 96.27 C +ATOM 2280 CD1 LEU A 284 -3.816 11.221 -0.581 1.00 95.92 C +ATOM 2281 CD2 LEU A 284 -4.818 12.989 0.801 1.00 95.76 C +ATOM 2282 N ILE A 285 0.376 14.705 0.954 1.00 96.25 N +ATOM 2283 CA ILE A 285 1.611 14.865 1.746 1.00 96.26 C +ATOM 2284 C ILE A 285 1.582 16.127 2.619 1.00 96.26 C +ATOM 2285 O ILE A 285 1.698 16.003 3.840 1.00 96.05 O +ATOM 2286 CB ILE A 285 2.865 14.800 0.842 1.00 96.12 C +ATOM 2287 CG1 ILE A 285 3.069 13.375 0.294 1.00 95.78 C +ATOM 2288 CG2 ILE A 285 4.124 15.233 1.619 1.00 95.67 C +ATOM 2289 CD1 ILE A 285 3.954 13.349 -0.960 1.00 94.72 C +ATOM 2290 N PRO A 286 1.431 17.344 2.085 1.00 95.93 N +ATOM 2291 CA PRO A 286 1.438 18.553 2.899 1.00 95.77 C +ATOM 2292 C PRO A 286 0.258 18.623 3.869 1.00 95.83 C +ATOM 2293 O PRO A 286 0.413 19.112 4.986 1.00 95.36 O +ATOM 2294 CB PRO A 286 1.441 19.715 1.904 1.00 95.38 C +ATOM 2295 CG PRO A 286 0.806 19.119 0.653 1.00 94.57 C +ATOM 2296 CD PRO A 286 1.287 17.700 0.677 1.00 95.30 C +ATOM 2297 N ILE A 287 -0.886 18.078 3.494 1.00 96.00 N +ATOM 2298 CA ILE A 287 -2.065 18.028 4.366 1.00 95.89 C +ATOM 2299 C ILE A 287 -1.762 17.116 5.573 1.00 95.98 C +ATOM 2300 O ILE A 287 -1.916 17.550 6.718 1.00 95.65 O +ATOM 2301 CB ILE A 287 -3.307 17.527 3.583 1.00 95.57 C +ATOM 2302 CG1 ILE A 287 -3.666 18.511 2.454 1.00 94.43 C +ATOM 2303 CG2 ILE A 287 -4.511 17.359 4.535 1.00 93.99 C +ATOM 2304 CD1 ILE A 287 -4.713 17.966 1.475 1.00 91.66 C +ATOM 2305 N LEU A 288 -1.259 15.928 5.334 1.00 95.86 N +ATOM 2306 CA LEU A 288 -0.906 14.981 6.401 1.00 95.80 C +ATOM 2307 C LEU A 288 0.237 15.492 7.260 1.00 95.81 C +ATOM 2308 O LEU A 288 0.193 15.295 8.468 1.00 95.49 O +ATOM 2309 CB LEU A 288 -0.562 13.619 5.789 1.00 95.72 C +ATOM 2310 CG LEU A 288 -1.799 12.857 5.309 1.00 95.30 C +ATOM 2311 CD1 LEU A 288 -1.349 11.689 4.443 1.00 94.68 C +ATOM 2312 CD2 LEU A 288 -2.605 12.281 6.491 1.00 94.48 C +ATOM 2313 N LYS A 289 1.205 16.188 6.699 1.00 95.26 N +ATOM 2314 CA LYS A 289 2.267 16.889 7.463 1.00 95.13 C +ATOM 2315 C LYS A 289 1.688 17.865 8.464 1.00 95.26 C +ATOM 2316 O LYS A 289 2.023 17.800 9.637 1.00 94.69 O +ATOM 2317 CB LYS A 289 3.224 17.600 6.495 1.00 94.34 C +ATOM 2318 CG LYS A 289 4.625 17.029 6.616 1.00 90.12 C +ATOM 2319 CD LYS A 289 5.568 17.673 5.581 1.00 86.17 C +ATOM 2320 CE LYS A 289 6.958 17.040 5.727 1.00 79.66 C +ATOM 2321 NZ LYS A 289 7.839 17.303 4.575 1.00 73.13 N1+ +ATOM 2322 N THR A 290 0.805 18.721 8.004 1.00 95.12 N +ATOM 2323 CA THR A 290 0.147 19.713 8.853 1.00 95.01 C +ATOM 2324 C THR A 290 -0.679 19.076 9.956 1.00 95.11 C +ATOM 2325 O THR A 290 -0.595 19.474 11.118 1.00 94.44 O +ATOM 2326 CB THR A 290 -0.747 20.624 8.012 1.00 94.46 C +ATOM 2327 OG1 THR A 290 0.000 21.241 6.996 1.00 91.90 O +ATOM 2328 CG2 THR A 290 -1.397 21.726 8.831 1.00 90.67 C +ATOM 2329 N VAL A 291 -1.450 18.072 9.627 1.00 94.86 N +ATOM 2330 CA VAL A 291 -2.264 17.334 10.601 1.00 94.77 C +ATOM 2331 C VAL A 291 -1.379 16.582 11.598 1.00 94.77 C +ATOM 2332 O VAL A 291 -1.619 16.657 12.812 1.00 94.19 O +ATOM 2333 CB VAL A 291 -3.264 16.411 9.895 1.00 94.30 C +ATOM 2334 CG1 VAL A 291 -4.245 17.182 9.026 1.00 92.52 C +ATOM 2335 CG2 VAL A 291 -4.127 15.642 10.902 1.00 92.22 C +ATOM 2336 N HIS A 292 -0.335 15.942 11.147 1.00 94.91 N +ATOM 2337 CA HIS A 292 0.618 15.256 12.018 1.00 94.75 C +ATOM 2338 C HIS A 292 1.275 16.208 13.009 1.00 94.59 C +ATOM 2339 O HIS A 292 1.295 15.927 14.218 1.00 93.84 O +ATOM 2340 CB HIS A 292 1.669 14.553 11.154 1.00 94.42 C +ATOM 2341 CG HIS A 292 2.848 14.059 11.936 1.00 93.50 C +ATOM 2342 ND1 HIS A 292 2.791 13.184 13.001 1.00 89.53 N1+ +ATOM 2343 CD2 HIS A 292 4.157 14.439 11.803 1.00 88.80 C +ATOM 2344 CE1 HIS A 292 4.037 13.037 13.505 1.00 88.75 C +ATOM 2345 NE2 HIS A 292 4.883 13.776 12.775 1.00 90.36 N +ATOM 2346 N GLU A 293 1.761 17.368 12.578 1.00 93.25 N +ATOM 2347 CA GLU A 293 2.345 18.370 13.452 1.00 92.94 C +ATOM 2348 C GLU A 293 1.361 18.879 14.506 1.00 92.94 C +ATOM 2349 O GLU A 293 1.708 18.935 15.677 1.00 92.13 O +ATOM 2350 CB GLU A 293 2.878 19.546 12.621 1.00 91.52 C +ATOM 2351 CG GLU A 293 4.176 19.177 11.904 1.00 82.29 C +ATOM 2352 CD GLU A 293 4.755 20.347 11.079 1.00 77.80 C +ATOM 2353 OE1 GLU A 293 5.898 20.182 10.589 1.00 66.93 O +ATOM 2354 OE2 GLU A 293 4.087 21.389 10.952 1.00 63.41 O +ATOM 2355 N LYS A 294 0.138 19.098 14.115 1.00 93.13 N +ATOM 2356 CA LYS A 294 -0.938 19.522 15.006 1.00 93.08 C +ATOM 2357 C LYS A 294 -1.145 18.534 16.148 1.00 93.16 C +ATOM 2358 O LYS A 294 -1.243 18.936 17.302 1.00 92.22 O +ATOM 2359 CB LYS A 294 -2.203 19.724 14.181 1.00 92.42 C +ATOM 2360 CG LYS A 294 -3.430 20.147 15.008 1.00 89.36 C +ATOM 2361 CD LYS A 294 -4.626 20.248 14.076 1.00 86.66 C +ATOM 2362 CE LYS A 294 -5.923 20.529 14.849 1.00 81.42 C +ATOM 2363 NZ LYS A 294 -7.104 20.411 13.952 1.00 72.70 N1+ +ATOM 2364 N TYR A 295 -1.178 17.252 15.866 1.00 93.14 N +ATOM 2365 CA TYR A 295 -1.401 16.230 16.894 1.00 93.30 C +ATOM 2366 C TYR A 295 -0.141 15.827 17.654 1.00 93.09 C +ATOM 2367 O TYR A 295 -0.245 15.365 18.797 1.00 91.96 O +ATOM 2368 CB TYR A 295 -2.091 15.017 16.268 1.00 93.13 C +ATOM 2369 CG TYR A 295 -3.549 15.304 15.943 1.00 93.29 C +ATOM 2370 CD1 TYR A 295 -4.505 15.405 16.959 1.00 92.45 C +ATOM 2371 CD2 TYR A 295 -3.924 15.522 14.601 1.00 92.17 C +ATOM 2372 CE1 TYR A 295 -5.829 15.761 16.652 1.00 91.31 C +ATOM 2373 CE2 TYR A 295 -5.247 15.878 14.294 1.00 91.83 C +ATOM 2374 CZ TYR A 295 -6.186 16.000 15.317 1.00 92.05 C +ATOM 2375 OH TYR A 295 -7.475 16.356 15.003 1.00 90.48 O +ATOM 2376 N ARG A 296 1.025 16.065 17.110 1.00 89.29 N +ATOM 2377 CA ARG A 296 2.304 15.839 17.801 1.00 88.12 C +ATOM 2378 C ARG A 296 2.502 16.768 18.982 1.00 87.37 C +ATOM 2379 O ARG A 296 2.999 16.334 20.025 1.00 85.18 O +ATOM 2380 CB ARG A 296 3.440 15.941 16.799 1.00 86.50 C +ATOM 2381 CG ARG A 296 4.703 15.245 17.327 1.00 80.61 C +ATOM 2382 CD ARG A 296 5.877 15.385 16.361 1.00 79.73 C +ATOM 2383 NE ARG A 296 6.564 16.654 16.549 1.00 75.88 N +ATOM 2384 CZ ARG A 296 7.678 17.047 15.942 1.00 70.75 C +ATOM 2385 NH1 ARG A 296 8.227 16.319 15.029 1.00 65.56 N +ATOM 2386 NH2 ARG A 296 8.250 18.159 16.229 1.00 63.62 N1+ +ATOM 2387 N HIS A 297 2.114 18.011 18.835 1.00 80.10 N +ATOM 2388 CA HIS A 297 2.272 19.015 19.909 1.00 79.73 C +ATOM 2389 C HIS A 297 1.302 18.813 21.074 1.00 79.53 C +ATOM 2390 O HIS A 297 1.666 19.141 22.201 1.00 75.76 O +ATOM 2391 CB HIS A 297 2.128 20.405 19.298 1.00 76.42 C +ATOM 2392 CG HIS A 297 3.328 20.783 18.496 1.00 73.34 C +ATOM 2393 ND1 HIS A 297 4.641 20.868 18.988 1.00 63.78 N1+ +ATOM 2394 CD2 HIS A 297 3.394 21.125 17.172 1.00 64.49 C +ATOM 2395 CE1 HIS A 297 5.440 21.240 17.994 1.00 63.19 C +ATOM 2396 NE2 HIS A 297 4.720 21.400 16.864 1.00 63.21 N +ATOM 2397 N HIS A 298 0.171 18.173 20.863 1.00 71.45 N +ATOM 2398 CA HIS A 298 -0.771 17.900 21.961 1.00 70.47 C +ATOM 2399 C HIS A 298 -0.287 16.845 22.945 1.00 70.57 C +ATOM 2400 O HIS A 298 -0.707 16.873 24.098 1.00 66.63 O +ATOM 2401 CB HIS A 298 -2.124 17.513 21.368 1.00 65.87 C +ATOM 2402 CG HIS A 298 -2.897 18.704 20.882 1.00 64.23 C +ATOM 2403 ND1 HIS A 298 -3.278 19.781 21.662 1.00 53.44 N1+ +ATOM 2404 CD2 HIS A 298 -3.365 18.945 19.612 1.00 53.81 C +ATOM 2405 CE1 HIS A 298 -3.962 20.644 20.908 1.00 51.26 C +ATOM 2406 NE2 HIS A 298 -4.021 20.154 19.645 1.00 54.35 N +ATOM 2407 N HIS A 299 0.636 15.970 22.565 1.00 63.08 N +ATOM 2408 CA HIS A 299 1.187 14.945 23.460 1.00 62.53 C +ATOM 2409 C HIS A 299 2.341 15.434 24.356 1.00 62.79 C +ATOM 2410 O HIS A 299 2.744 14.714 25.272 1.00 58.10 O +ATOM 2411 CB HIS A 299 1.610 13.720 22.659 1.00 58.02 C +ATOM 2412 CG HIS A 299 0.464 12.773 22.456 1.00 55.52 C +ATOM 2413 ND1 HIS A 299 -0.200 12.092 23.462 1.00 47.59 N1+ +ATOM 2414 CD2 HIS A 299 -0.142 12.394 21.279 1.00 47.92 C +ATOM 2415 CE1 HIS A 299 -1.166 11.334 22.922 1.00 45.93 C +ATOM 2416 NE2 HIS A 299 -1.157 11.499 21.591 1.00 48.37 N +ATOM 2417 N HIS A 300 2.869 16.637 24.166 1.00 56.45 N +ATOM 2418 CA HIS A 300 3.905 17.222 25.041 1.00 54.38 C +ATOM 2419 C HIS A 300 3.364 18.135 26.133 1.00 55.43 C +ATOM 2420 O HIS A 300 4.147 18.680 26.899 1.00 52.00 O +ATOM 2421 CB HIS A 300 4.948 17.918 24.180 1.00 50.10 C +ATOM 2422 CG HIS A 300 5.892 16.944 23.478 1.00 46.87 C +ATOM 2423 ND1 HIS A 300 6.457 15.818 24.053 1.00 41.30 N1+ +ATOM 2424 CD2 HIS A 300 6.399 17.045 22.218 1.00 40.54 C +ATOM 2425 CE1 HIS A 300 7.269 15.240 23.193 1.00 37.45 C +ATOM 2426 NE2 HIS A 300 7.245 15.969 22.032 1.00 41.40 N +ATOM 2427 N HIS A 301 2.063 18.289 26.224 1.00 59.25 N +ATOM 2428 CA HIS A 301 1.410 19.196 27.181 1.00 57.39 C +ATOM 2429 C HIS A 301 0.519 18.479 28.198 1.00 57.44 C +ATOM 2430 O HIS A 301 -0.255 19.139 28.882 1.00 52.87 O +ATOM 2431 CB HIS A 301 0.685 20.303 26.426 1.00 52.95 C +ATOM 2432 CG HIS A 301 1.599 21.331 25.866 1.00 50.06 C +ATOM 2433 ND1 HIS A 301 2.500 22.088 26.616 1.00 43.72 N1+ +ATOM 2434 CD2 HIS A 301 1.712 21.758 24.579 1.00 42.79 C +ATOM 2435 CE1 HIS A 301 3.132 22.914 25.798 1.00 39.95 C +ATOM 2436 NE2 HIS A 301 2.674 22.767 24.545 1.00 42.11 N +ATOM 2437 N HIS A 302 0.592 17.166 28.301 1.00 51.71 N +ATOM 2438 CA HIS A 302 -0.107 16.372 29.316 1.00 49.11 C +ATOM 2439 C HIS A 302 0.852 15.421 30.040 1.00 48.79 C +ATOM 2440 O HIS A 302 1.747 14.865 29.405 1.00 43.74 O +ATOM 2441 CB HIS A 302 -1.253 15.592 28.679 1.00 44.74 C +ATOM 2442 CG HIS A 302 -2.479 16.453 28.401 1.00 42.08 C +ATOM 2443 ND1 HIS A 302 -3.066 17.265 29.376 1.00 37.00 N1+ +ATOM 2444 CD2 HIS A 302 -3.190 16.613 27.263 1.00 35.43 C +ATOM 2445 CE1 HIS A 302 -4.106 17.870 28.819 1.00 33.30 C +ATOM 2446 NE2 HIS A 302 -4.228 17.487 27.525 1.00 35.92 N +HETATM 2447 C1 LIG Z 1 8.012 -9.351 12.874 1.00 83.31 C +HETATM 2448 C2 LIG Z 1 7.775 -9.896 11.528 1.00 87.01 C +HETATM 2449 C3 LIG Z 1 8.786 -10.943 11.250 1.00 85.05 C +HETATM 2450 C4 LIG Z 1 8.839 -9.622 10.539 1.00 91.98 C +HETATM 2451 C5 LIG Z 1 8.415 -9.680 9.025 1.00 92.70 C +HETATM 2452 O1 LIG Z 1 7.401 -10.318 8.688 1.00 91.34 O +HETATM 2453 N1 LIG Z 1 9.227 -8.990 8.128 1.00 93.88 N +HETATM 2454 C6 LIG Z 1 9.103 -8.882 6.754 1.00 94.33 C +HETATM 2455 C7 LIG Z 1 7.926 -9.240 6.136 1.00 93.92 C +HETATM 2456 C8 LIG Z 1 7.814 -9.086 4.770 1.00 93.67 C +HETATM 2457 N2 LIG Z 1 6.554 -9.413 4.243 1.00 91.31 N +HETATM 2458 C9 LIG Z 1 6.152 -9.301 2.978 1.00 91.83 C +HETATM 2459 O2 LIG Z 1 6.889 -8.935 2.029 1.00 90.08 O +HETATM 2460 C10 LIG Z 1 4.763 -9.599 2.711 1.00 90.94 C +HETATM 2461 C11 LIG Z 1 3.915 -8.619 2.185 1.00 87.94 C +HETATM 2462 CL1 LIG Z 1 4.504 -7.020 1.895 1.00 87.39 CL +HETATM 2463 C12 LIG Z 1 2.551 -8.880 1.906 1.00 87.77 C +HETATM 2464 C13 LIG Z 1 2.033 -10.148 2.150 1.00 87.22 C +HETATM 2465 C14 LIG Z 1 2.837 -11.133 2.684 1.00 86.47 C +HETATM 2466 C15 LIG Z 1 4.181 -10.853 2.960 1.00 87.85 C +HETATM 2467 CL2 LIG Z 1 5.095 -12.120 3.670 1.00 85.96 CL +HETATM 2468 C16 LIG Z 1 8.877 -8.591 4.033 1.00 93.81 C +HETATM 2469 C17 LIG Z 1 10.078 -8.230 4.725 1.00 94.40 C +HETATM 2470 N3 LIG Z 1 10.154 -8.368 6.045 1.00 94.62 N +CONECT 3 9 +CONECT 9 3 +CONECT 11 13 +CONECT 13 11 +CONECT 15 19 +CONECT 19 15 +CONECT 21 26 +CONECT 26 21 +CONECT 28 31 +CONECT 31 28 +CONECT 33 37 +CONECT 37 33 +CONECT 39 45 +CONECT 45 39 +CONECT 47 52 +CONECT 52 47 +CONECT 54 59 +CONECT 59 54 +CONECT 61 66 +CONECT 66 61 +CONECT 68 77 +CONECT 77 68 +CONECT 79 87 +CONECT 87 79 +CONECT 89 96 +CONECT 96 89 +CONECT 98 107 +CONECT 107 98 +CONECT 109 119 +CONECT 119 109 +CONECT 121 127 +CONECT 127 121 +CONECT 129 136 +CONECT 136 129 +CONECT 138 145 +CONECT 145 138 +CONECT 147 153 +CONECT 153 147 +CONECT 155 164 +CONECT 164 155 +CONECT 166 172 +CONECT 172 166 +CONECT 174 180 +CONECT 180 174 +CONECT 182 184 +CONECT 184 182 +CONECT 186 193 +CONECT 193 186 +CONECT 195 197 +CONECT 197 195 +CONECT 199 207 +CONECT 207 199 +CONECT 209 218 +CONECT 218 209 +CONECT 220 222 +CONECT 222 220 +CONECT 224 231 +CONECT 231 224 +CONECT 233 238 +CONECT 238 233 +CONECT 240 244 +CONECT 244 240 +CONECT 246 252 +CONECT 252 246 +CONECT 254 264 +CONECT 264 254 +CONECT 266 270 +CONECT 270 266 +CONECT 272 282 +CONECT 282 272 +CONECT 284 290 +CONECT 290 284 +CONECT 292 297 +CONECT 297 292 +CONECT 299 304 +CONECT 304 299 +CONECT 306 312 +CONECT 312 306 +CONECT 314 320 +CONECT 320 314 +CONECT 322 324 +CONECT 324 322 +CONECT 326 331 +CONECT 331 326 +CONECT 333 335 +CONECT 335 333 +CONECT 337 344 +CONECT 344 337 +CONECT 346 352 +CONECT 352 346 +CONECT 354 359 +CONECT 359 354 +CONECT 361 364 +CONECT 364 361 +CONECT 366 371 +CONECT 371 366 +CONECT 373 380 +CONECT 380 373 +CONECT 382 385 +CONECT 385 382 +CONECT 387 393 +CONECT 393 387 +CONECT 395 402 +CONECT 402 395 +CONECT 404 407 +CONECT 407 404 +CONECT 409 415 +CONECT 415 409 +CONECT 417 420 +CONECT 420 417 +CONECT 422 424 +CONECT 424 422 +CONECT 426 431 +CONECT 431 426 +CONECT 433 440 +CONECT 440 433 +CONECT 442 450 +CONECT 450 442 +CONECT 452 461 +CONECT 461 452 +CONECT 463 467 +CONECT 467 463 +CONECT 469 471 +CONECT 471 469 +CONECT 473 485 +CONECT 485 473 +CONECT 487 494 +CONECT 494 487 +CONECT 496 503 +CONECT 503 496 +CONECT 505 512 +CONECT 512 505 +CONECT 514 520 +CONECT 520 514 +CONECT 522 528 +CONECT 528 522 +CONECT 530 536 +CONECT 536 530 +CONECT 538 544 +CONECT 544 538 +CONECT 546 555 +CONECT 555 546 +CONECT 557 562 +CONECT 562 557 +CONECT 564 570 +CONECT 570 564 +CONECT 572 582 +CONECT 582 572 +CONECT 584 592 +CONECT 592 584 +CONECT 594 601 +CONECT 601 594 +CONECT 603 611 +CONECT 611 603 +CONECT 613 619 +CONECT 619 613 +CONECT 621 627 +CONECT 627 621 +CONECT 629 636 +CONECT 636 629 +CONECT 638 648 +CONECT 648 638 +CONECT 650 657 +CONECT 657 650 +CONECT 659 661 +CONECT 661 659 +CONECT 663 667 +CONECT 667 663 +CONECT 669 673 +CONECT 673 669 +CONECT 675 682 +CONECT 682 675 +CONECT 684 690 +CONECT 690 684 +CONECT 692 695 +CONECT 695 692 +CONECT 697 699 +CONECT 699 697 +CONECT 701 704 +CONECT 704 701 +CONECT 706 709 +CONECT 709 706 +CONECT 711 715 +CONECT 715 711 +CONECT 717 723 +CONECT 723 717 +CONECT 725 732 +CONECT 732 725 +CONECT 734 740 +CONECT 740 734 +CONECT 742 747 +CONECT 747 742 +CONECT 749 755 +CONECT 755 749 +CONECT 757 764 +CONECT 764 757 +CONECT 766 776 +CONECT 776 766 +CONECT 778 783 +CONECT 783 778 +CONECT 785 790 +CONECT 790 785 +CONECT 792 798 +CONECT 798 792 +CONECT 800 802 +CONECT 802 800 +CONECT 804 808 +CONECT 808 804 +CONECT 810 816 +CONECT 816 810 +CONECT 818 827 +CONECT 827 818 +CONECT 829 835 +CONECT 835 829 +CONECT 837 847 +CONECT 847 837 +CONECT 849 855 +CONECT 855 849 +CONECT 857 862 +CONECT 862 857 +CONECT 864 873 +CONECT 873 864 +CONECT 875 883 +CONECT 883 875 +CONECT 885 889 +CONECT 889 885 +CONECT 891 897 +CONECT 897 891 +CONECT 899 901 +CONECT 901 899 +CONECT 903 909 +CONECT 909 903 +CONECT 911 914 +CONECT 914 911 +CONECT 916 923 +CONECT 923 916 +CONECT 925 931 +CONECT 931 925 +CONECT 933 939 +CONECT 939 933 +CONECT 941 947 +CONECT 947 941 +CONECT 949 958 +CONECT 958 949 +CONECT 960 963 +CONECT 963 960 +CONECT 965 972 +CONECT 972 965 +CONECT 974 981 +CONECT 981 974 +CONECT 983 989 +CONECT 989 983 +CONECT 991 995 +CONECT 995 991 +CONECT 997 1004 +CONECT 1004 997 +CONECT 1006 1008 +CONECT 1008 1006 +CONECT 1010 1016 +CONECT 1016 1010 +CONECT 1018 1021 +CONECT 1021 1018 +CONECT 1023 1033 +CONECT 1033 1023 +CONECT 1035 1041 +CONECT 1041 1035 +CONECT 1043 1051 +CONECT 1051 1043 +CONECT 1053 1056 +CONECT 1056 1053 +CONECT 1058 1065 +CONECT 1065 1058 +CONECT 1067 1075 +CONECT 1075 1067 +CONECT 1077 1087 +CONECT 1087 1077 +CONECT 1089 1095 +CONECT 1095 1089 +CONECT 1097 1105 +CONECT 1105 1097 +CONECT 1107 1116 +CONECT 1116 1107 +CONECT 1118 1124 +CONECT 1124 1118 +CONECT 1126 1132 +CONECT 1132 1126 +CONECT 1134 1137 +CONECT 1137 1134 +CONECT 1139 1142 +CONECT 1142 1139 +CONECT 1144 1153 +CONECT 1153 1144 +CONECT 1155 1161 +CONECT 1161 1155 +CONECT 1163 1168 +CONECT 1168 1163 +CONECT 1170 1176 +CONECT 1176 1170 +CONECT 1178 1184 +CONECT 1184 1178 +CONECT 1186 1192 +CONECT 1192 1186 +CONECT 1194 1200 +CONECT 1200 1194 +CONECT 1202 1208 +CONECT 1208 1202 +CONECT 1210 1219 +CONECT 1219 1210 +CONECT 1221 1227 +CONECT 1227 1221 +CONECT 1229 1234 +CONECT 1234 1229 +CONECT 1236 1243 +CONECT 1243 1236 +CONECT 1245 1251 +CONECT 1251 1245 +CONECT 1253 1255 +CONECT 1255 1253 +CONECT 1257 1263 +CONECT 1263 1257 +CONECT 1265 1274 +CONECT 1274 1265 +CONECT 1276 1278 +CONECT 1278 1276 +CONECT 1280 1286 +CONECT 1286 1280 +CONECT 1288 1291 +CONECT 1291 1288 +CONECT 1293 1300 +CONECT 1300 1293 +CONECT 1302 1305 +CONECT 1305 1302 +CONECT 1307 1312 +CONECT 1312 1307 +CONECT 1314 1319 +CONECT 1319 1314 +CONECT 1321 1328 +CONECT 1328 1321 +CONECT 1330 1332 +CONECT 1332 1330 +CONECT 1334 1342 +CONECT 1342 1334 +CONECT 1344 1351 +CONECT 1351 1344 +CONECT 1353 1363 +CONECT 1363 1353 +CONECT 1365 1375 +CONECT 1375 1365 +CONECT 1377 1386 +CONECT 1386 1377 +CONECT 1388 1393 +CONECT 1393 1388 +CONECT 1395 1404 +CONECT 1404 1395 +CONECT 1406 1413 +CONECT 1413 1406 +CONECT 1415 1421 +CONECT 1421 1415 +CONECT 1423 1425 +CONECT 1425 1423 +CONECT 1427 1433 +CONECT 1433 1427 +CONECT 1435 1439 +CONECT 1439 1435 +CONECT 1441 1446 +CONECT 1446 1441 +CONECT 1448 1453 +CONECT 1453 1448 +CONECT 1455 1464 +CONECT 1464 1455 +CONECT 1466 1478 +CONECT 1478 1466 +CONECT 1480 1490 +CONECT 1490 1480 +CONECT 1492 1495 +CONECT 1495 1492 +CONECT 1497 1502 +CONECT 1502 1497 +CONECT 1504 1511 +CONECT 1511 1504 +CONECT 1513 1517 +CONECT 1517 1513 +CONECT 1519 1525 +CONECT 1525 1519 +CONECT 1527 1534 +CONECT 1534 1527 +CONECT 1536 1543 +CONECT 1543 1536 +CONECT 1545 1555 +CONECT 1555 1545 +CONECT 1557 1564 +CONECT 1564 1557 +CONECT 1566 1575 +CONECT 1575 1566 +CONECT 1577 1587 +CONECT 1587 1577 +CONECT 1589 1599 +CONECT 1599 1589 +CONECT 1601 1604 +CONECT 1604 1601 +CONECT 1606 1610 +CONECT 1610 1606 +CONECT 1612 1618 +CONECT 1618 1612 +CONECT 1620 1625 +CONECT 1625 1620 +CONECT 1627 1639 +CONECT 1639 1627 +CONECT 1641 1645 +CONECT 1645 1641 +CONECT 1647 1656 +CONECT 1656 1647 +CONECT 1658 1660 +CONECT 1660 1658 +CONECT 1662 1667 +CONECT 1667 1662 +CONECT 1669 1674 +CONECT 1674 1669 +CONECT 1676 1682 +CONECT 1682 1676 +CONECT 1684 1694 +CONECT 1694 1684 +CONECT 1696 1703 +CONECT 1703 1696 +CONECT 1705 1711 +CONECT 1711 1705 +CONECT 1713 1719 +CONECT 1719 1713 +CONECT 1721 1726 +CONECT 1726 1721 +CONECT 1728 1736 +CONECT 1736 1728 +CONECT 1738 1742 +CONECT 1742 1738 +CONECT 1744 1750 +CONECT 1750 1744 +CONECT 1752 1756 +CONECT 1756 1752 +CONECT 1758 1762 +CONECT 1762 1758 +CONECT 1764 1771 +CONECT 1771 1764 +CONECT 1773 1777 +CONECT 1777 1773 +CONECT 1779 1784 +CONECT 1784 1779 +CONECT 1786 1791 +CONECT 1791 1786 +CONECT 1793 1798 +CONECT 1798 1793 +CONECT 1800 1807 +CONECT 1807 1800 +CONECT 1809 1818 +CONECT 1818 1809 +CONECT 1820 1826 +CONECT 1826 1820 +CONECT 1828 1835 +CONECT 1835 1828 +CONECT 1837 1843 +CONECT 1843 1837 +CONECT 1845 1851 +CONECT 1851 1845 +CONECT 1853 1855 +CONECT 1855 1853 +CONECT 1857 1863 +CONECT 1863 1857 +CONECT 1865 1868 +CONECT 1868 1865 +CONECT 1870 1877 +CONECT 1877 1870 +CONECT 1879 1881 +CONECT 1881 1879 +CONECT 1883 1890 +CONECT 1890 1883 +CONECT 1892 1898 +CONECT 1898 1892 +CONECT 1900 1905 +CONECT 1905 1900 +CONECT 1907 1912 +CONECT 1912 1907 +CONECT 1914 1920 +CONECT 1920 1914 +CONECT 1922 1931 +CONECT 1931 1922 +CONECT 1933 1939 +CONECT 1939 1933 +CONECT 1941 1946 +CONECT 1946 1941 +CONECT 1948 1955 +CONECT 1955 1948 +CONECT 1957 1963 +CONECT 1963 1957 +CONECT 1965 1971 +CONECT 1971 1965 +CONECT 1973 1980 +CONECT 1980 1973 +CONECT 1982 1991 +CONECT 1991 1982 +CONECT 1993 1995 +CONECT 1995 1993 +CONECT 1997 2004 +CONECT 2004 1997 +CONECT 2006 2015 +CONECT 2015 2006 +CONECT 2017 2023 +CONECT 2023 2017 +CONECT 2025 2030 +CONECT 2030 2025 +CONECT 2032 2041 +CONECT 2041 2032 +CONECT 2043 2048 +CONECT 2048 2043 +CONECT 2050 2056 +CONECT 2056 2050 +CONECT 2058 2065 +CONECT 2065 2058 +CONECT 2067 2071 +CONECT 2071 2067 +CONECT 2073 2078 +CONECT 2078 2073 +CONECT 2080 2083 +CONECT 2083 2080 +CONECT 2085 2092 +CONECT 2092 2085 +CONECT 2094 2099 +CONECT 2099 2094 +CONECT 2101 2111 +CONECT 2111 2101 +CONECT 2113 2121 +CONECT 2121 2113 +CONECT 2123 2129 +CONECT 2129 2123 +CONECT 2131 2137 +CONECT 2137 2131 +CONECT 2139 2146 +CONECT 2146 2139 +CONECT 2148 2154 +CONECT 2154 2148 +CONECT 2156 2160 +CONECT 2160 2156 +CONECT 2162 2174 +CONECT 2174 2162 +CONECT 2176 2183 +CONECT 2183 2176 +CONECT 2185 2190 +CONECT 2190 2185 +CONECT 2192 2199 +CONECT 2199 2192 +CONECT 2201 2204 +CONECT 2204 2201 +CONECT 2206 2210 +CONECT 2210 2206 +CONECT 2212 2221 +CONECT 2221 2212 +CONECT 2223 2232 +CONECT 2232 2223 +CONECT 2234 2239 +CONECT 2239 2234 +CONECT 2241 2246 +CONECT 2246 2241 +CONECT 2248 2257 +CONECT 2257 2248 +CONECT 2259 2266 +CONECT 2266 2259 +CONECT 2268 2274 +CONECT 2274 2268 +CONECT 2276 2282 +CONECT 2282 2276 +CONECT 2284 2290 +CONECT 2290 2284 +CONECT 2292 2297 +CONECT 2297 2292 +CONECT 2299 2305 +CONECT 2305 2299 +CONECT 2307 2313 +CONECT 2313 2307 +CONECT 2315 2322 +CONECT 2322 2315 +CONECT 2324 2329 +CONECT 2329 2324 +CONECT 2331 2336 +CONECT 2336 2331 +CONECT 2338 2346 +CONECT 2346 2338 +CONECT 2348 2355 +CONECT 2355 2348 +CONECT 2357 2364 +CONECT 2364 2357 +CONECT 2366 2376 +CONECT 2376 2366 +CONECT 2378 2387 +CONECT 2387 2378 +CONECT 2389 2397 +CONECT 2397 2389 +CONECT 2399 2407 +CONECT 2407 2399 +CONECT 2409 2417 +CONECT 2417 2409 +CONECT 2419 2427 +CONECT 2427 2419 +CONECT 2429 2437 +CONECT 2437 2429 +CONECT 2447 2448 +CONECT 2448 2447 2449 2450 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 2448 +CONECT 2451 2450 2452 2453 +CONECT 2452 2451 +CONECT 2453 2451 2454 +CONECT 2454 2453 2455 2470 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 2468 +CONECT 2457 2456 2458 +CONECT 2458 2457 2459 2460 +CONECT 2459 2458 +CONECT 2460 2458 2461 2466 +CONECT 2461 2460 2462 2463 +CONECT 2462 2461 +CONECT 2463 2461 2464 +CONECT 2464 2463 2465 +CONECT 2465 2464 2466 +CONECT 2466 2465 2467 2460 +CONECT 2467 2466 +CONECT 2468 2456 2469 +CONECT 2469 2468 2470 +CONECT 2470 2469 2454 diff --git a/cookbook/of3_and_septop.ipynb b/cookbook/of3_and_septop.ipynb new file mode 100644 index 0000000..bda9f41 --- /dev/null +++ b/cookbook/of3_and_septop.ipynb @@ -0,0 +1,1049 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "35354229", + "metadata": {}, + "source": [ + "# Running RBFE calculations with OpenFold3 structures\n", + "\n", + "This tutorial gives a step-by-step process to:\n", + "\n", + "**1. Run cofolding on a set of TYK2 ligands**\n", + "\n", + "**2. Prepare the OpenFold3 outputs for free energy calculations**\n", + " - Align complexes\n", + " - Protonate the ligands and protein\n", + " - Output of this step:\n", + " - A single prepared protein structures\n", + " - SDFiles for all the ligands in the set\n", + " \n", + "**3. Run a network of binding free energy calculations using the SepTop protocol**" + ] + }, + { + "cell_type": "markdown", + "id": "2fea29c3", + "metadata": {}, + "source": [ + "## 1. Run cofolding on a set of TYK2 ligands\n", + "\n", + "### Preparing the Input JSON for OpenFold\n", + "\n", + "This step requires assembling two key pieces of information:\n", + "\n", + "- Ligand SMILES strings\n", + "- Protein sequence (extracted from the PDB file)\n", + "\n", + "In this workflow, we begin with an SDF file containing the ligands.\n", + "We extract the SMILES representation for each ligand and store them in a dictionary alongside their ligand identifiers.\n", + "\n", + "We also identify the largest ligand.\n", + "This is important because, in later stages, we will use the protein structure generated during co-folding with the largest ligand. Doing so helps minimize steric clashes between ligand and protein atoms in subsequent calculations." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "08962d91-a334-4c89-adf1-19be6f2bdb16", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "ligands_file = \"tyk2_ligands.sdf\"\n", + "from rdkit.Chem.Descriptors3D import Asphericity\n", + "from rdkit import Chem\n", + "\n", + "ligands_dict = {}\n", + "# Store the surface area to later find the ligand with the largest surface area\n", + "sa = []\n", + "sppl = Chem.SDMolSupplier(ligands_file, removeHs=True)\n", + "for mol in sppl:\n", + " smi = Chem.MolToSmiles(mol)\n", + " name = mol.GetProp(\"_Name\")\n", + " ligands_dict[name] = smi\n", + " vsa = Asphericity(mol)\n", + " sa.append(vsa)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "5ccaaec2-cfbf-4f05-8c91-0e7325b3eaae", + "metadata": {}, + "outputs": [], + "source": [ + "largest_ligand = list(ligands_dict.keys())[sa.index(max(sa))]" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "1c55bfeb-c1bc-4af8-98da-43ff8c1de141", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "{'lig_ejm_31': 'CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_42': 'CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_43': 'CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_46': 'O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_47': 'O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_48': 'O=C(Nc1ccnc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_50': 'O=C(CO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_jmc_23': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_jmc_27': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2Cl)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_jmc_28': 'C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1'}" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "ligands_dict" + ] + }, + { + "cell_type": "markdown", + "id": "80da7967-8046-44e4-aef7-c81ac6712f98", + "metadata": {}, + "source": [ + "We then create the json file that will be the OpenFold input." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "25a8ba0c-311c-476e-9913-9b39611c708d", + "metadata": {}, + "outputs": [], + "source": [ + "import json\n", + "\n", + "# Protein sequence and chain ID\n", + "protein_info = {\n", + " \"molecule_type\": \"protein\",\n", + " \"chain_ids\": \"A\",\n", + " \"sequence\": \"MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADAGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDAGAASLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPAEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH\"\n", + "}\n", + "\n", + "# Build the queries dictionary\n", + "queries = {}\n", + "\n", + "for name, smiles in ligands_dict.items():\n", + " queries[name] = {\n", + " \"chains\": [\n", + " protein_info,\n", + " {\n", + " \"molecule_type\": \"ligand\",\n", + " \"chain_ids\": \"Z\", \n", + " \"smiles\": smiles\n", + " }\n", + " ]\n", + " }\n", + "\n", + "# Write to JSON\n", + "with open(\"queries.json\", \"w\") as f:\n", + " json.dump({\"queries\": queries}, f, indent=4)" + ] + }, + { + "cell_type": "markdown", + "id": "a2546f36-2ca2-4793-ad4b-19b6e76574ae", + "metadata": {}, + "source": [ + "### Running OpenFold\n", + "\n", + "1. Create an `output_settings.yml` file to specify .pdb as output fiel format\n", + "\n", + "```\n", + "output_writer_settings:\n", + " # change output format to pdb (default: mmcif):\n", + " structure_format: pdb\n", + "```\n", + "\n", + "2. Run OpenFold\n", + "\n", + "`run_openfold predict --query_json=queries.json --runner_yaml output_settings.yml`" + ] + }, + { + "cell_type": "markdown", + "id": "b4adde29-282a-45f6-96a6-c8de0700a266", + "metadata": {}, + "source": [ + "## 2. Prepare the OpenFold3 outputs for free energy calculations\n", + "\n", + "### Align complexes with MDAnalysis" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "25ef33bf-fb1a-45da-96e4-004f77ef7d34", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "lig_jmc_27\n", + "lig_ejm_46\n", + "lig_ejm_50\n", + "lig_ejm_47\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/Users/hannahbaumann/miniforge3/envs/openfe_dev/lib/python3.12/site-packages/MDAnalysis/coordinates/PDB.py:777: UserWarning: Unit cell dimensions not found. CRYST1 record set to unitary values.\n", + " warnings.warn(\"Unit cell dimensions not found. \"\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "lig_ejm_31\n", + "lig_jmc_23\n", + "lig_ejm_42\n", + "lig_jmc_28\n", + "lig_ejm_48\n", + "lig_ejm_43\n" + ] + } + ], + "source": [ + "import MDAnalysis as mda\n", + "from MDAnalysis.analysis import align\n", + "from rdkit import Chem\n", + "import glob\n", + "\n", + "# 1) Load reference and mobile complexes\n", + "reference_pdb = f\"of3_output/{largest_ligand}_seed_42_sample_1_model.pdb\"\n", + "other_pdb = glob.glob(\"of3_output/*_seed_42_sample_1_model.pdb\")\n", + "\n", + "ref = mda.Universe(reference_pdb)\n", + "for pdb in other_pdb:\n", + " \n", + " ligand = pdb.split('/')[1].split('_seed')[0]\n", + " mob = mda.Universe(pdb)\n", + "\n", + " # 2) Align mobile → reference using protein backbone (recommended)\n", + " ref_prot = ref.select_atoms(\"protein and backbone\")\n", + " mob_prot = mob.select_atoms(\"protein and backbone\")\n", + " \n", + " # Perform alignment in-place\n", + " align.alignto(mob_prot, ref_prot)\n", + " aligned_protein = mob.select_atoms(\"all\")\n", + " aligned_protein.write(f'aligned/{ligand}.pdb')\n", + "\n", + " # For the reference pdb, save the protein alone\n", + " if pdb == reference_pdb:\n", + " full_protein = mob.select_atoms(\"protein\")\n", + " full_protein.write(f'protein.pdb')" + ] + }, + { + "cell_type": "markdown", + "id": "6056e755-0da0-4712-b4ae-7a721c94851d", + "metadata": {}, + "source": [ + "### Protonate the protein with Proteins.plus\n", + "\n", + "In this example, we use the web server proteins.plus to add hydrogens to the protein.\n", + "\n", + "- Upload the `protein.pdb` file\n", + "- Choose `Protoss Hydrogen prediction` and click `Calculate`\n", + "- Download the prepared PDB file" + ] + }, + { + "cell_type": "markdown", + "id": "83f9f229-3225-4c69-9b16-f8a89b0c36d4", + "metadata": {}, + "source": [ + "### Protonate the ligands with OpenEye" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "35a7a5d3-073e-497d-aa4d-6984781dfdfd", + "metadata": {}, + "outputs": [], + "source": [ + "from openeye import oechem, oespruce, oequacpac, oeomega\n", + "\n", + "pdbs = glob.glob(\"aligned/*.pdb\")\n", + "for pdb in pdbs:\n", + " ligand_name = pdb.split('/')[1].split('.')[0]\n", + " \n", + " # 1) Load the complex\n", + " ifs = oechem.oemolistream(pdb)\n", + " complex_mol = oechem.OEMol()\n", + " oechem.OEReadMolecule(ifs, complex_mol)\n", + " ifs.close()\n", + " \n", + " # 2) Separate protein and ligand\n", + " ligand = oechem.OEMol()\n", + " protein = oechem.OEMol()\n", + " water = oechem.OEMol()\n", + " other = oechem.OEMol()\n", + " \n", + " # Split the complex\n", + " oechem.OESplitMolComplex(ligand, protein, water, other, complex_mol)\n", + " \n", + " \n", + " # 3) Protonate ligand\n", + " hopt = oechem.OEPlaceHydrogensOptions()\n", + " oechem.OEPlaceHydrogens(ligand, hopt)\n", + "\n", + " # # Assign chemistry & protonate\n", + " oechem.OEAssignHybridization(ligand)\n", + " oechem.OEAssignAromaticFlags(ligand)\n", + " oechem.OEAssignFormalCharges(ligand)\n", + " \n", + " # Add hydrogens\n", + " oequacpac.OEGetReasonableProtomer(ligand)\n", + " \n", + " ofs_ligand = oechem.oemolostream(f\"ligands_prepped/{ligand_name}.sdf\")\n", + " ligand.SetTitle(ligand_name)\n", + " oechem.OEWriteMolecule(ofs_ligand, ligand)\n", + " ofs_ligand.close()" + ] + }, + { + "cell_type": "markdown", + "id": "89e52270-514c-4b21-8179-07c7319ff468", + "metadata": {}, + "source": [ + "## 3. Run a network of binding free energy calculations using the SepTop protocol" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "id": "fc97de03", + "metadata": {}, + "outputs": [], + "source": [ + "%matplotlib inline\n", + "import gzip\n", + "import json\n", + "import logging\n", + "import pathlib\n", + "import tempfile\n", + "from openff.toolkit import (\n", + " Molecule, RDKitToolkitWrapper, AmberToolsToolkitWrapper\n", + ")\n", + "from openff.toolkit.utils.toolkit_registry import (\n", + " toolkit_registry_manager, ToolkitRegistry\n", + ")\n", + "from openff.units import unit\n", + "from kartograf.atom_aligner import align_mol_shape\n", + "from kartograf import KartografAtomMapper\n", + "import gufe\n", + "from gufe.tokenization import JSON_HANDLER\n", + "import openfe\n", + "from openfe.protocols.openmm_md.plain_md_methods import PlainMDProtocol\n", + "from openfe.protocols.openmm_septop import SepTopProtocol\n", + "from openfe.protocols.openmm_septop import (\n", + " SepTopSolventSetupUnit,\n", + " SepTopComplexSetupUnit,\n", + ")\n", + "from rdkit import Chem" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "id": "88bbbbca-4f6a-4496-bea9-f621ffd8183e", + "metadata": {}, + "outputs": [], + "source": [ + "ligand_sdfs = glob.glob('ligands_prepped/*sdf')\n", + "ligands = []\n", + "for l in ligand_sdfs:\n", + " ligand = openfe.SmallMoleculeComponent.from_sdf_file(l)\n", + " ligands.append(ligand)" + ] + }, + { + "cell_type": "code", + "execution_count": 19, + "id": "5a042c94-7c09-40fb-aa76-41c07d9de2ea", + "metadata": {}, + "outputs": [], + "source": [ + "protein = \"protein_prepped.pdb\"" + ] + }, + { + "cell_type": "code", + "execution_count": 20, + "id": "30373ee0-d777-4828-b89a-5a8fdbc56c41", + "metadata": {}, + "outputs": [], + "source": [ + "solvent = openfe.SolventComponent()" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "id": "99e2ad54-e42a-4afb-b023-e354d629fc31", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Generating charges: 100%|███████████████████████| 10/10 [03:58<00:00, 23.87s/it]\n" + ] + } + ], + "source": [ + "from openfe.protocols.openmm_utils.omm_settings import OpenFFPartialChargeSettings\n", + "from openfe.protocols.openmm_utils.charge_generation import bulk_assign_partial_charges\n", + "\n", + "charge_settings = OpenFFPartialChargeSettings(partial_charge_method=\"am1bcc\", off_toolkit_backend=\"ambertools\")\n", + "\n", + "charged_ligands = bulk_assign_partial_charges(\n", + " molecules=ligands,\n", + " overwrite=False,\n", + " method=charge_settings.partial_charge_method,\n", + " toolkit_backend=charge_settings.off_toolkit_backend,\n", + " generate_n_conformers=charge_settings.number_of_conformers,\n", + " nagl_model=charge_settings.nagl_model,\n", + " processors=1\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "id": "464e1ae8-304f-4a79-b4e4-89043ceb8970", + "metadata": {}, + "outputs": [], + "source": [ + "mapper = openfe.LomapAtomMapper(max3d=1.0, element_change=False)\n", + "scorer = openfe.lomap_scorers.default_lomap_score\n", + "network_planner = openfe.ligand_network_planning.generate_minimal_spanning_network" + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "id": "c5e0bf25-b618-421f-bc41-32061806b116", + "metadata": {}, + "outputs": [], + "source": [ + "ligand_network = network_planner(\n", + " ligands=charged_ligands,\n", + " mappers=[mapper],\n", + " scorer=scorer\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "id": "670e9b07-9ae2-47de-b18b-f1b77d4cc299", + "metadata": {}, + "outputs": [], + "source": [ + "comp = openfe.ProteinComponent.from_pdb_file(protein, name=\"tyk2\")" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "id": "fa125c2b-50ca-42e5-a661-78fa3ad7394e", + "metadata": {}, + "outputs": [], + "source": [ + "settings = SepTopProtocol.default_settings()\n", + "settings.protocol_repeats = 1\n", + "\n", + "# Fast settings\n", + "settings.complex_solvation_settings.box_shape = 'dodecahedron'\n", + "settings.solvent_solvation_settings.box_shape = 'dodecahedron'\n", + "settings.complex_simulation_settings.time_per_iteration = 2.5 * unit.ps\n", + "settings.solvent_simulation_settings.time_per_iteration = 2.5 * unit.ps\n", + "settings.forcefield_settings.nonbonded_cutoff = 0.9 * unit.nanometer\n", + "settings.complex_solvation_settings.solvent_padding = 1 * unit.nanometer\n", + "settings.solvent_solvation_settings.solvent_padding = 1.5 * unit.nanometer\n", + "\n", + "settings.engine_settings.compute_platform = 'CUDA'" + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "id": "f7bc364a-aa5e-4e17-ace2-6476cb98fe97", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "{'alchemical_settings': {},\n", + " 'complex_equil_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'checkpoint.chk',\n", + " 'equil_npt_structure': 'equil_npt',\n", + " 'equil_nvt_structure': None,\n", + " 'forcefield_cache': 'db.json',\n", + " 'log_output': 'equil_simulation',\n", + " 'minimized_structure': 'minimized',\n", + " 'output_indices': 'all',\n", + " 'preminimized_structure': 'system',\n", + " 'production_trajectory_filename': 'equil_production',\n", + " 'trajectory_write_interval': },\n", + " 'complex_equil_simulation_settings': {'equilibration_length': ,\n", + " 'equilibration_length_nvt': ,\n", + " 'minimization_steps': 5000,\n", + " 'production_length': },\n", + " 'complex_lambda_settings': {'lambda_elec_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.25,\n", + " 0.5,\n", + " 0.75,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0],\n", + " 'lambda_elec_B': [1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 0.75,\n", + " 0.5,\n", + " 0.25,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0],\n", + " 'lambda_restraints_A': [0.0,\n", + " 0.05,\n", + " 0.1,\n", + " 0.3,\n", + " 0.5,\n", + " 0.75,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0],\n", + " 'lambda_restraints_B': [1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 0.75,\n", + " 0.5,\n", + " 0.3,\n", + " 0.1,\n", + " 0.05,\n", + " 0.0],\n", + " 'lambda_vdw_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.14285714285714285,\n", + " 0.2857142857142857,\n", + " 0.42857142857142855,\n", + " 0.5714285714285714,\n", + " 0.7142857142857142,\n", + " 0.8571428571428571,\n", + " 1.0],\n", + " 'lambda_vdw_B': [1.0,\n", + " 0.8571428571428572,\n", + " 0.7142857142857143,\n", + " 0.5714285714285714,\n", + " 0.4285714285714286,\n", + " 0.2857142857142858,\n", + " 0.1428571428571429,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0]},\n", + " 'complex_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'complex_checkpoint.nc',\n", + " 'forcefield_cache': 'db.json',\n", + " 'output_filename': 'complex.nc',\n", + " 'output_indices': 'not water',\n", + " 'output_structure': 'alchemical_system.pdb',\n", + " 'positions_write_frequency': ,\n", + " 'velocities_write_frequency': None},\n", + " 'complex_restraint_settings': {'K_phiA': ,\n", + " 'K_phiB': ,\n", + " 'K_phiC': ,\n", + " 'K_r': ,\n", + " 'K_thetaA': ,\n", + " 'K_thetaB': ,\n", + " 'anchor_finding_strategy': 'bonded',\n", + " 'dssp_filter': True,\n", + " 'guest_atoms': None,\n", + " 'host_atoms': None,\n", + " 'host_max_distance': ,\n", + " 'host_min_distance': ,\n", + " 'host_selection': 'backbone',\n", + " 'rmsf_cutoff': },\n", + " 'complex_simulation_settings': {'early_termination_target_error': ,\n", + " 'equilibration_length': ,\n", + " 'minimization_steps': 5000,\n", + " 'n_replicas': 19,\n", + " 'production_length': ,\n", + " 'real_time_analysis_interval': ,\n", + " 'real_time_analysis_minimum_time': ,\n", + " 'sampler_method': 'repex',\n", + " 'sams_flatness_criteria': 'logZ-flatness',\n", + " 'sams_gamma0': 1.0,\n", + " 'time_per_iteration': },\n", + " 'complex_solvation_settings': {'box_shape': 'dodecahedron',\n", + " 'box_size': None,\n", + " 'box_vectors': None,\n", + " 'number_of_solvent_molecules': None,\n", + " 'solvent_model': 'tip3p',\n", + " 'solvent_padding': },\n", + " 'engine_settings': {'compute_platform': 'CUDA', 'gpu_device_index': None},\n", + " 'forcefield_settings': {'constraints': 'hbonds',\n", + " 'forcefields': ['amber/ff14SB.xml',\n", + " 'amber/tip3p_standard.xml',\n", + " 'amber/tip3p_HFE_multivalent.xml',\n", + " 'amber/phosaa10.xml'],\n", + " 'hydrogen_mass': 3.0,\n", + " 'nonbonded_cutoff': ,\n", + " 'nonbonded_method': 'PME',\n", + " 'rigid_water': True,\n", + " 'small_molecule_forcefield': 'openff-2.2.1'},\n", + " 'integrator_settings': {'barostat_frequency': ,\n", + " 'constraint_tolerance': 1e-06,\n", + " 'langevin_collision_rate': ,\n", + " 'n_restart_attempts': 20,\n", + " 'reassign_velocities': False,\n", + " 'remove_com': False,\n", + " 'timestep': },\n", + " 'partial_charge_settings': {'nagl_model': None,\n", + " 'number_of_conformers': None,\n", + " 'off_toolkit_backend': 'ambertools',\n", + " 'partial_charge_method': 'am1bcc'},\n", + " 'protocol_repeats': 1,\n", + " 'solvent_equil_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'checkpoint.chk',\n", + " 'equil_npt_structure': 'equil_npt',\n", + " 'equil_nvt_structure': None,\n", + " 'forcefield_cache': 'db.json',\n", + " 'log_output': 'equil_simulation',\n", + " 'minimized_structure': 'minimized',\n", + " 'output_indices': 'all',\n", + " 'preminimized_structure': 'system',\n", + " 'production_trajectory_filename': 'equil_npt',\n", + " 'trajectory_write_interval': },\n", + " 'solvent_equil_simulation_settings': {'equilibration_length': ,\n", + " 'equilibration_length_nvt': ,\n", + " 'minimization_steps': 5000,\n", + " 'production_length': },\n", + " 'solvent_lambda_settings': {'lambda_elec_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.125,\n", + " 0.25,\n", + " 0.375,\n", + " 0.5,\n", + " 0.625,\n", + " 0.75,\n", + " 0.875,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0],\n", + " 'lambda_elec_B': [1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 1.0,\n", + " 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0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0],\n", + " 'lambda_vdw_A': [0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.15,\n", + " 0.23,\n", + " 0.3,\n", + " 0.4,\n", + " 0.52,\n", + " 0.64,\n", + " 0.76,\n", + " 0.88,\n", + " 1.0],\n", + " 'lambda_vdw_B': [1.0,\n", + " 0.85,\n", + " 0.77,\n", + " 0.7,\n", + " 0.6,\n", + " 0.48,\n", + " 0.36,\n", + " 0.24,\n", + " 0.12,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0,\n", + " 0.0]},\n", + " 'solvent_output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'solvent_checkpoint.nc',\n", + " 'forcefield_cache': 'db.json',\n", + " 'output_filename': 'solvent.nc',\n", + " 'output_indices': 'not water',\n", + " 'output_structure': 'alchemical_system.pdb',\n", + " 'positions_write_frequency': ,\n", + " 'velocities_write_frequency': None},\n", + " 'solvent_restraint_settings': {'central_atoms_only': False,\n", + " 'guest_atoms': None,\n", + " 'host_atoms': None,\n", + " 'spring_constant': },\n", + " 'solvent_simulation_settings': {'early_termination_target_error': ,\n", + " 'equilibration_length': ,\n", + " 'minimization_steps': 5000,\n", + " 'n_replicas': 27,\n", + " 'production_length': ,\n", + " 'real_time_analysis_interval': ,\n", + " 'real_time_analysis_minimum_time': ,\n", + " 'sampler_method': 'repex',\n", + " 'sams_flatness_criteria': 'logZ-flatness',\n", + " 'sams_gamma0': 1.0,\n", + " 'time_per_iteration': },\n", + " 'solvent_solvation_settings': {'box_shape': 'dodecahedron',\n", + " 'box_size': None,\n", + " 'box_vectors': None,\n", + " 'number_of_solvent_molecules': None,\n", + " 'solvent_model': 'tip3p',\n", + " 'solvent_padding': },\n", + " 'thermo_settings': {'ph': None,\n", + " 'pressure': ,\n", + " 'redox_potential': None,\n", + " 'temperature': }}\n" + ] + } + ], + "source": [ + "settings" + ] + }, + { + "cell_type": "markdown", + "id": "340d1a6e", + "metadata": {}, + "source": [ + "### Creating a `Protocol`\n", + "\n", + "The actual simulation is performed by a `Protocol`. We'll use an OpenMM-based hybrid topology relative free energy `Protocol`." + ] + }, + { + "cell_type": "code", + "execution_count": 27, + "id": "3f394a0d", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "protocol = SepTopProtocol(settings=settings)" + ] + }, + { + "cell_type": "markdown", + "id": "1e29d1c8", + "metadata": {}, + "source": [ + "## Creating the `AlchemicalNetwork`\n", + "\n", + "The `AlchemicalNetwork` contains all the information needed to run the entire campaign. It consists of a `Transformation` for each leg of the campaign. We'll loop over all the mappings, and then loop over the legs. In that inner loop, we'll make each transformation." + ] + }, + { + "cell_type": "code", + "execution_count": 28, + "id": "66666a80", + "metadata": {}, + "outputs": [], + "source": [ + "transformations = []\n", + "for edge in ligand_network.edges:\n", + " # use the solvent and protein created above\n", + " sysA_dict = {'ligand': edge.componentA,\n", + " 'protein': comp,\n", + " 'solvent': solvent}\n", + " sysB_dict = {'ligand': edge.componentB,\n", + " 'protein': comp,\n", + " 'solvent': solvent}\n", + " \n", + " # we don't have to name objects, but it can make things (like filenames) more convenient\n", + " sysA = openfe.ChemicalSystem(sysA_dict, name=f\"{edge.componentA.name}\")\n", + " sysB = openfe.ChemicalSystem(sysB_dict, name=f\"{edge.componentB.name}\")\n", + " \n", + " prefix = \"rbfe_\" # prefix is only to exactly reproduce CLI\n", + " \n", + " transformation = openfe.Transformation(\n", + " stateA=sysA,\n", + " stateB=sysB,\n", + " mapping=None,\n", + " protocol=protocol, # use protocol created above\n", + " name=f\"{prefix}{sysA.name}_{sysB.name}\"\n", + " )\n", + " transformations.append(transformation)\n", + "\n", + "network = openfe.AlchemicalNetwork(transformations)" + ] + }, + { + "cell_type": "markdown", + "id": "6c61fe36", + "metadata": {}, + "source": [ + "## Writing the `AlchemicalNetwork` to disk\n", + "\n", + "We'll write out each transformation to disk, so that they can be run independently using the `openfe quickrun` command:" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "id": "d6cebd9a", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "import pathlib\n", + "# first we create the directory\n", + "transformation_dir = pathlib.Path(\"transformations_septop_tyk2\")\n", + "transformation_dir.mkdir(exist_ok=True)\n", + "\n", + "# then we write out each transformation\n", + "for transformation in network.edges:\n", + " transformation.to_json(transformation_dir / f\"{transformation.name}.json\")" + ] + }, + { + "cell_type": "markdown", + "id": "c30e8ae2", + "metadata": {}, + "source": [ + "Each of these individual .json files contains a Transformation, which contains all the information to run the calculation. These could be farmed out as individual jobs on a HPC cluster.\n", + "\n", + "You can run the SepTop simulation from the CLI by using the openfe quickrun command. It takes a transformation JSON as input, and the flags -o to give the final output JSON file and -d for the directory where simulation results should be stored. For example,\n", + "\n", + "`openfe quickrun path/to/transformation.json -o results.json -d working-directory`\n", + "\n", + "where path/to/transformation.json is the path to one of the files created above." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "ec1ce3bb-04a4-4ef9-89a8-d32c3819be86", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.10" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} From 1dbcd365ca1c1387c910e4bccb2a59da5e2a91b7 Mon Sep 17 00:00:00 2001 From: hannahbaumann Date: Thu, 20 Nov 2025 14:31:16 +0100 Subject: [PATCH 3/7] Remove other loc --- openmm_septop/of3_and_septop.ipynb | 1049 ---------------------------- 1 file changed, 1049 deletions(-) delete mode 100644 openmm_septop/of3_and_septop.ipynb diff --git a/openmm_septop/of3_and_septop.ipynb b/openmm_septop/of3_and_septop.ipynb deleted file mode 100644 index bda9f41..0000000 --- a/openmm_septop/of3_and_septop.ipynb +++ /dev/null @@ -1,1049 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "35354229", - "metadata": {}, - "source": [ - "# Running RBFE calculations with OpenFold3 structures\n", - "\n", - "This tutorial gives a step-by-step process to:\n", - "\n", - "**1. Run cofolding on a set of TYK2 ligands**\n", - "\n", - "**2. Prepare the OpenFold3 outputs for free energy calculations**\n", - " - Align complexes\n", - " - Protonate the ligands and protein\n", - " - Output of this step:\n", - " - A single prepared protein structures\n", - " - SDFiles for all the ligands in the set\n", - " \n", - "**3. Run a network of binding free energy calculations using the SepTop protocol**" - ] - }, - { - "cell_type": "markdown", - "id": "2fea29c3", - "metadata": {}, - "source": [ - "## 1. Run cofolding on a set of TYK2 ligands\n", - "\n", - "### Preparing the Input JSON for OpenFold\n", - "\n", - "This step requires assembling two key pieces of information:\n", - "\n", - "- Ligand SMILES strings\n", - "- Protein sequence (extracted from the PDB file)\n", - "\n", - "In this workflow, we begin with an SDF file containing the ligands.\n", - "We extract the SMILES representation for each ligand and store them in a dictionary alongside their ligand identifiers.\n", - "\n", - "We also identify the largest ligand.\n", - "This is important because, in later stages, we will use the protein structure generated during co-folding with the largest ligand. Doing so helps minimize steric clashes between ligand and protein atoms in subsequent calculations." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "08962d91-a334-4c89-adf1-19be6f2bdb16", - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "ligands_file = \"tyk2_ligands.sdf\"\n", - "from rdkit.Chem.Descriptors3D import Asphericity\n", - "from rdkit import Chem\n", - "\n", - "ligands_dict = {}\n", - "# Store the surface area to later find the ligand with the largest surface area\n", - "sa = []\n", - "sppl = Chem.SDMolSupplier(ligands_file, removeHs=True)\n", - "for mol in sppl:\n", - " smi = Chem.MolToSmiles(mol)\n", - " name = mol.GetProp(\"_Name\")\n", - " ligands_dict[name] = smi\n", - " vsa = Asphericity(mol)\n", - " sa.append(vsa)" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "5ccaaec2-cfbf-4f05-8c91-0e7325b3eaae", - "metadata": {}, - "outputs": [], - "source": [ - "largest_ligand = list(ligands_dict.keys())[sa.index(max(sa))]" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "1c55bfeb-c1bc-4af8-98da-43ff8c1de141", - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "{'lig_ejm_31': 'CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", - " 'lig_ejm_42': 'CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", - " 'lig_ejm_43': 'CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", - " 'lig_ejm_46': 'O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl',\n", - " 'lig_ejm_47': 'O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl',\n", - " 'lig_ejm_48': 'O=C(Nc1ccnc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1Cl',\n", - " 'lig_ejm_50': 'O=C(CO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", - " 'lig_jmc_23': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(Cl)cccc1Cl',\n", - " 'lig_jmc_27': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2Cl)c1)c1c(Cl)cccc1Cl',\n", - " 'lig_jmc_28': 'C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1'}" - ] - }, - "execution_count": 3, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "ligands_dict" - ] - }, - { - "cell_type": "markdown", - "id": "80da7967-8046-44e4-aef7-c81ac6712f98", - "metadata": {}, - "source": [ - "We then create the json file that will be the OpenFold input." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "25a8ba0c-311c-476e-9913-9b39611c708d", - "metadata": {}, - "outputs": [], - "source": [ - "import json\n", - "\n", - "# Protein sequence and chain ID\n", - "protein_info = {\n", - " \"molecule_type\": \"protein\",\n", - " \"chain_ids\": \"A\",\n", - " \"sequence\": \"MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADAGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDAGAASLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPAEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH\"\n", - "}\n", - "\n", - "# Build the queries dictionary\n", - "queries = {}\n", - "\n", - "for name, smiles in ligands_dict.items():\n", - " queries[name] = {\n", - " \"chains\": [\n", - " protein_info,\n", - " {\n", - " \"molecule_type\": \"ligand\",\n", - " \"chain_ids\": \"Z\", \n", - " \"smiles\": smiles\n", - " }\n", - " ]\n", - " }\n", - "\n", - "# Write to JSON\n", - "with open(\"queries.json\", \"w\") as f:\n", - " json.dump({\"queries\": queries}, f, indent=4)" - ] - }, - { - "cell_type": "markdown", - "id": "a2546f36-2ca2-4793-ad4b-19b6e76574ae", - "metadata": {}, - "source": [ - "### Running OpenFold\n", - "\n", - "1. Create an `output_settings.yml` file to specify .pdb as output fiel format\n", - "\n", - "```\n", - "output_writer_settings:\n", - " # change output format to pdb (default: mmcif):\n", - " structure_format: pdb\n", - "```\n", - "\n", - "2. Run OpenFold\n", - "\n", - "`run_openfold predict --query_json=queries.json --runner_yaml output_settings.yml`" - ] - }, - { - "cell_type": "markdown", - "id": "b4adde29-282a-45f6-96a6-c8de0700a266", - "metadata": {}, - "source": [ - "## 2. Prepare the OpenFold3 outputs for free energy calculations\n", - "\n", - "### Align complexes with MDAnalysis" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "25ef33bf-fb1a-45da-96e4-004f77ef7d34", - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "lig_jmc_27\n", - "lig_ejm_46\n", - "lig_ejm_50\n", - "lig_ejm_47\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/Users/hannahbaumann/miniforge3/envs/openfe_dev/lib/python3.12/site-packages/MDAnalysis/coordinates/PDB.py:777: UserWarning: Unit cell dimensions not found. CRYST1 record set to unitary values.\n", - " warnings.warn(\"Unit cell dimensions not found. \"\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "lig_ejm_31\n", - "lig_jmc_23\n", - "lig_ejm_42\n", - "lig_jmc_28\n", - "lig_ejm_48\n", - "lig_ejm_43\n" - ] - } - ], - "source": [ - "import MDAnalysis as mda\n", - "from MDAnalysis.analysis import align\n", - "from rdkit import Chem\n", - "import glob\n", - "\n", - "# 1) Load reference and mobile complexes\n", - "reference_pdb = f\"of3_output/{largest_ligand}_seed_42_sample_1_model.pdb\"\n", - "other_pdb = glob.glob(\"of3_output/*_seed_42_sample_1_model.pdb\")\n", - "\n", - "ref = mda.Universe(reference_pdb)\n", - "for pdb in other_pdb:\n", - " \n", - " ligand = pdb.split('/')[1].split('_seed')[0]\n", - " mob = mda.Universe(pdb)\n", - "\n", - " # 2) Align mobile → reference using protein backbone (recommended)\n", - " ref_prot = ref.select_atoms(\"protein and backbone\")\n", - " mob_prot = mob.select_atoms(\"protein and backbone\")\n", - " \n", - " # Perform alignment in-place\n", - " align.alignto(mob_prot, ref_prot)\n", - " aligned_protein = mob.select_atoms(\"all\")\n", - " aligned_protein.write(f'aligned/{ligand}.pdb')\n", - "\n", - " # For the reference pdb, save the protein alone\n", - " if pdb == reference_pdb:\n", - " full_protein = mob.select_atoms(\"protein\")\n", - " full_protein.write(f'protein.pdb')" - ] - }, - { - "cell_type": "markdown", - "id": "6056e755-0da0-4712-b4ae-7a721c94851d", - "metadata": {}, - "source": [ - "### Protonate the protein with Proteins.plus\n", - "\n", - "In this example, we use the web server proteins.plus to add hydrogens to the protein.\n", - "\n", - "- Upload the `protein.pdb` file\n", - "- Choose `Protoss Hydrogen prediction` and click `Calculate`\n", - "- Download the prepared PDB file" - ] - }, - { - "cell_type": "markdown", - "id": "83f9f229-3225-4c69-9b16-f8a89b0c36d4", - "metadata": {}, - "source": [ - "### Protonate the ligands with OpenEye" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "id": "35a7a5d3-073e-497d-aa4d-6984781dfdfd", - "metadata": {}, - "outputs": [], - "source": [ - "from openeye import oechem, oespruce, oequacpac, oeomega\n", - "\n", - "pdbs = glob.glob(\"aligned/*.pdb\")\n", - "for pdb in pdbs:\n", - " ligand_name = pdb.split('/')[1].split('.')[0]\n", - " \n", - " # 1) Load the complex\n", - " ifs = oechem.oemolistream(pdb)\n", - " complex_mol = oechem.OEMol()\n", - " oechem.OEReadMolecule(ifs, complex_mol)\n", - " ifs.close()\n", - " \n", - " # 2) Separate protein and ligand\n", - " ligand = oechem.OEMol()\n", - " protein = oechem.OEMol()\n", - " water = oechem.OEMol()\n", - " other = oechem.OEMol()\n", - " \n", - " # Split the complex\n", - " oechem.OESplitMolComplex(ligand, protein, water, other, complex_mol)\n", - " \n", - " \n", - " # 3) Protonate ligand\n", - " hopt = oechem.OEPlaceHydrogensOptions()\n", - " oechem.OEPlaceHydrogens(ligand, hopt)\n", - "\n", - " # # Assign chemistry & protonate\n", - " oechem.OEAssignHybridization(ligand)\n", - " oechem.OEAssignAromaticFlags(ligand)\n", - " oechem.OEAssignFormalCharges(ligand)\n", - " \n", - " # Add hydrogens\n", - " oequacpac.OEGetReasonableProtomer(ligand)\n", - " \n", - " ofs_ligand = oechem.oemolostream(f\"ligands_prepped/{ligand_name}.sdf\")\n", - " ligand.SetTitle(ligand_name)\n", - " oechem.OEWriteMolecule(ofs_ligand, ligand)\n", - " ofs_ligand.close()" - ] - }, - { - "cell_type": "markdown", - "id": "89e52270-514c-4b21-8179-07c7319ff468", - "metadata": {}, - "source": [ - "## 3. Run a network of binding free energy calculations using the SepTop protocol" - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "id": "fc97de03", - "metadata": {}, - "outputs": [], - "source": [ - "%matplotlib inline\n", - "import gzip\n", - "import json\n", - "import logging\n", - "import pathlib\n", - "import tempfile\n", - "from openff.toolkit import (\n", - " Molecule, RDKitToolkitWrapper, AmberToolsToolkitWrapper\n", - ")\n", - "from openff.toolkit.utils.toolkit_registry import (\n", - " toolkit_registry_manager, ToolkitRegistry\n", - ")\n", - "from openff.units import unit\n", - "from kartograf.atom_aligner import align_mol_shape\n", - "from kartograf import KartografAtomMapper\n", - "import gufe\n", - "from gufe.tokenization import JSON_HANDLER\n", - "import openfe\n", - "from openfe.protocols.openmm_md.plain_md_methods import PlainMDProtocol\n", - "from openfe.protocols.openmm_septop import SepTopProtocol\n", - "from openfe.protocols.openmm_septop import (\n", - " SepTopSolventSetupUnit,\n", - " SepTopComplexSetupUnit,\n", - ")\n", - "from rdkit import Chem" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "id": "88bbbbca-4f6a-4496-bea9-f621ffd8183e", - "metadata": {}, - "outputs": [], - "source": [ - "ligand_sdfs = glob.glob('ligands_prepped/*sdf')\n", - "ligands = []\n", - "for l in ligand_sdfs:\n", - " ligand = openfe.SmallMoleculeComponent.from_sdf_file(l)\n", - " ligands.append(ligand)" - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "id": "5a042c94-7c09-40fb-aa76-41c07d9de2ea", - "metadata": {}, - "outputs": [], - "source": [ - "protein = \"protein_prepped.pdb\"" - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "id": "30373ee0-d777-4828-b89a-5a8fdbc56c41", - "metadata": {}, - "outputs": [], - "source": [ - "solvent = openfe.SolventComponent()" - ] - }, - { - "cell_type": "code", - "execution_count": 21, - "id": "99e2ad54-e42a-4afb-b023-e354d629fc31", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "Generating charges: 100%|███████████████████████| 10/10 [03:58<00:00, 23.87s/it]\n" - ] - } - ], - "source": [ - "from openfe.protocols.openmm_utils.omm_settings import OpenFFPartialChargeSettings\n", - "from openfe.protocols.openmm_utils.charge_generation import bulk_assign_partial_charges\n", - "\n", - "charge_settings = OpenFFPartialChargeSettings(partial_charge_method=\"am1bcc\", off_toolkit_backend=\"ambertools\")\n", - "\n", - "charged_ligands = bulk_assign_partial_charges(\n", - " molecules=ligands,\n", - " overwrite=False,\n", - " method=charge_settings.partial_charge_method,\n", - " toolkit_backend=charge_settings.off_toolkit_backend,\n", - " generate_n_conformers=charge_settings.number_of_conformers,\n", - " nagl_model=charge_settings.nagl_model,\n", - " processors=1\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": 22, - "id": "464e1ae8-304f-4a79-b4e4-89043ceb8970", - "metadata": {}, - "outputs": [], - "source": [ - "mapper = openfe.LomapAtomMapper(max3d=1.0, element_change=False)\n", - "scorer = openfe.lomap_scorers.default_lomap_score\n", - "network_planner = openfe.ligand_network_planning.generate_minimal_spanning_network" - ] - }, - { - "cell_type": "code", - "execution_count": 23, - "id": "c5e0bf25-b618-421f-bc41-32061806b116", - "metadata": {}, - "outputs": [], - "source": [ - "ligand_network = network_planner(\n", - " ligands=charged_ligands,\n", - " mappers=[mapper],\n", - " scorer=scorer\n", - ")" - ] - }, - { - "cell_type": "code", - "execution_count": 24, - "id": "670e9b07-9ae2-47de-b18b-f1b77d4cc299", - "metadata": {}, - "outputs": [], - "source": [ - "comp = openfe.ProteinComponent.from_pdb_file(protein, name=\"tyk2\")" - ] - }, - { - "cell_type": "code", - "execution_count": 25, - "id": "fa125c2b-50ca-42e5-a661-78fa3ad7394e", - "metadata": {}, - "outputs": [], - "source": [ - "settings = SepTopProtocol.default_settings()\n", - "settings.protocol_repeats = 1\n", - "\n", - "# Fast settings\n", - "settings.complex_solvation_settings.box_shape = 'dodecahedron'\n", - "settings.solvent_solvation_settings.box_shape = 'dodecahedron'\n", - "settings.complex_simulation_settings.time_per_iteration = 2.5 * unit.ps\n", - "settings.solvent_simulation_settings.time_per_iteration = 2.5 * unit.ps\n", - "settings.forcefield_settings.nonbonded_cutoff = 0.9 * unit.nanometer\n", - "settings.complex_solvation_settings.solvent_padding = 1 * unit.nanometer\n", - "settings.solvent_solvation_settings.solvent_padding = 1.5 * unit.nanometer\n", - "\n", - "settings.engine_settings.compute_platform = 'CUDA'" - ] - }, - { - "cell_type": "code", - "execution_count": 26, - "id": "f7bc364a-aa5e-4e17-ace2-6476cb98fe97", - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "{'alchemical_settings': {},\n", - " 'complex_equil_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'checkpoint.chk',\n", - " 'equil_npt_structure': 'equil_npt',\n", - " 'equil_nvt_structure': None,\n", - " 'forcefield_cache': 'db.json',\n", - " 'log_output': 'equil_simulation',\n", - " 'minimized_structure': 'minimized',\n", - " 'output_indices': 'all',\n", - " 'preminimized_structure': 'system',\n", - " 'production_trajectory_filename': 'equil_production',\n", - " 'trajectory_write_interval': },\n", - " 'complex_equil_simulation_settings': {'equilibration_length': ,\n", - " 'equilibration_length_nvt': ,\n", - " 'minimization_steps': 5000,\n", - " 'production_length': },\n", - " 'complex_lambda_settings': {'lambda_elec_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.25,\n", - " 0.5,\n", - " 0.75,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0],\n", - " 'lambda_elec_B': [1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 0.75,\n", - " 0.5,\n", - " 0.25,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0],\n", - " 'lambda_restraints_A': [0.0,\n", - " 0.05,\n", - " 0.1,\n", - " 0.3,\n", - " 0.5,\n", - " 0.75,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0],\n", - " 'lambda_restraints_B': [1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 0.75,\n", - " 0.5,\n", - " 0.3,\n", - " 0.1,\n", - " 0.05,\n", - " 0.0],\n", - " 'lambda_vdw_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.14285714285714285,\n", - " 0.2857142857142857,\n", - " 0.42857142857142855,\n", - " 0.5714285714285714,\n", - " 0.7142857142857142,\n", - " 0.8571428571428571,\n", - " 1.0],\n", - " 'lambda_vdw_B': [1.0,\n", - " 0.8571428571428572,\n", - " 0.7142857142857143,\n", - " 0.5714285714285714,\n", - " 0.4285714285714286,\n", - " 0.2857142857142858,\n", - " 0.1428571428571429,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0]},\n", - " 'complex_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'complex_checkpoint.nc',\n", - " 'forcefield_cache': 'db.json',\n", - " 'output_filename': 'complex.nc',\n", - " 'output_indices': 'not water',\n", - " 'output_structure': 'alchemical_system.pdb',\n", - " 'positions_write_frequency': ,\n", - " 'velocities_write_frequency': None},\n", - " 'complex_restraint_settings': {'K_phiA': ,\n", - " 'K_phiB': ,\n", - " 'K_phiC': ,\n", - " 'K_r': ,\n", - " 'K_thetaA': ,\n", - " 'K_thetaB': ,\n", - " 'anchor_finding_strategy': 'bonded',\n", - " 'dssp_filter': True,\n", - " 'guest_atoms': None,\n", - " 'host_atoms': None,\n", - " 'host_max_distance': ,\n", - " 'host_min_distance': ,\n", - " 'host_selection': 'backbone',\n", - " 'rmsf_cutoff': },\n", - " 'complex_simulation_settings': {'early_termination_target_error': ,\n", - " 'equilibration_length': ,\n", - " 'minimization_steps': 5000,\n", - " 'n_replicas': 19,\n", - " 'production_length': ,\n", - " 'real_time_analysis_interval': ,\n", - " 'real_time_analysis_minimum_time': ,\n", - " 'sampler_method': 'repex',\n", - " 'sams_flatness_criteria': 'logZ-flatness',\n", - " 'sams_gamma0': 1.0,\n", - " 'time_per_iteration': },\n", - " 'complex_solvation_settings': {'box_shape': 'dodecahedron',\n", - " 'box_size': None,\n", - " 'box_vectors': None,\n", - " 'number_of_solvent_molecules': None,\n", - " 'solvent_model': 'tip3p',\n", - " 'solvent_padding': },\n", - " 'engine_settings': {'compute_platform': 'CUDA', 'gpu_device_index': None},\n", - " 'forcefield_settings': {'constraints': 'hbonds',\n", - " 'forcefields': ['amber/ff14SB.xml',\n", - " 'amber/tip3p_standard.xml',\n", - " 'amber/tip3p_HFE_multivalent.xml',\n", - " 'amber/phosaa10.xml'],\n", - " 'hydrogen_mass': 3.0,\n", - " 'nonbonded_cutoff': ,\n", - " 'nonbonded_method': 'PME',\n", - " 'rigid_water': True,\n", - " 'small_molecule_forcefield': 'openff-2.2.1'},\n", - " 'integrator_settings': {'barostat_frequency': ,\n", - " 'constraint_tolerance': 1e-06,\n", - " 'langevin_collision_rate': ,\n", - " 'n_restart_attempts': 20,\n", - " 'reassign_velocities': False,\n", - " 'remove_com': False,\n", - " 'timestep': },\n", - " 'partial_charge_settings': {'nagl_model': None,\n", - " 'number_of_conformers': None,\n", - " 'off_toolkit_backend': 'ambertools',\n", - " 'partial_charge_method': 'am1bcc'},\n", - " 'protocol_repeats': 1,\n", - " 'solvent_equil_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'checkpoint.chk',\n", - " 'equil_npt_structure': 'equil_npt',\n", - " 'equil_nvt_structure': None,\n", - " 'forcefield_cache': 'db.json',\n", - " 'log_output': 'equil_simulation',\n", - " 'minimized_structure': 'minimized',\n", - " 'output_indices': 'all',\n", - " 'preminimized_structure': 'system',\n", - " 'production_trajectory_filename': 'equil_npt',\n", - " 'trajectory_write_interval': },\n", - " 'solvent_equil_simulation_settings': {'equilibration_length': ,\n", - " 'equilibration_length_nvt': ,\n", - " 'minimization_steps': 5000,\n", - " 'production_length': },\n", - " 'solvent_lambda_settings': {'lambda_elec_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.125,\n", - " 0.25,\n", - " 0.375,\n", - " 0.5,\n", - " 0.625,\n", - " 0.75,\n", - " 0.875,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0],\n", - " 'lambda_elec_B': [1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 0.875,\n", - " 0.75,\n", - " 0.625,\n", - " 0.5,\n", - " 0.375,\n", - " 0.25,\n", - " 0.125,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0],\n", - " 'lambda_restraints_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0],\n", - " 'lambda_restraints_B': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0],\n", - " 'lambda_vdw_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.15,\n", - " 0.23,\n", - " 0.3,\n", - " 0.4,\n", - " 0.52,\n", - " 0.64,\n", - " 0.76,\n", - " 0.88,\n", - " 1.0],\n", - " 'lambda_vdw_B': [1.0,\n", - " 0.85,\n", - " 0.77,\n", - " 0.7,\n", - " 0.6,\n", - " 0.48,\n", - " 0.36,\n", - " 0.24,\n", - " 0.12,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0]},\n", - " 'solvent_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'solvent_checkpoint.nc',\n", - " 'forcefield_cache': 'db.json',\n", - " 'output_filename': 'solvent.nc',\n", - " 'output_indices': 'not water',\n", - " 'output_structure': 'alchemical_system.pdb',\n", - " 'positions_write_frequency': ,\n", - " 'velocities_write_frequency': None},\n", - " 'solvent_restraint_settings': {'central_atoms_only': False,\n", - " 'guest_atoms': None,\n", - " 'host_atoms': None,\n", - " 'spring_constant': },\n", - " 'solvent_simulation_settings': {'early_termination_target_error': ,\n", - " 'equilibration_length': ,\n", - " 'minimization_steps': 5000,\n", - " 'n_replicas': 27,\n", - " 'production_length': ,\n", - " 'real_time_analysis_interval': ,\n", - " 'real_time_analysis_minimum_time': ,\n", - " 'sampler_method': 'repex',\n", - " 'sams_flatness_criteria': 'logZ-flatness',\n", - " 'sams_gamma0': 1.0,\n", - " 'time_per_iteration': },\n", - " 'solvent_solvation_settings': {'box_shape': 'dodecahedron',\n", - " 'box_size': None,\n", - " 'box_vectors': None,\n", - " 'number_of_solvent_molecules': None,\n", - " 'solvent_model': 'tip3p',\n", - " 'solvent_padding': },\n", - " 'thermo_settings': {'ph': None,\n", - " 'pressure': ,\n", - " 'redox_potential': None,\n", - " 'temperature': }}\n" - ] - } - ], - "source": [ - "settings" - ] - }, - { - "cell_type": "markdown", - "id": "340d1a6e", - "metadata": {}, - "source": [ - "### Creating a `Protocol`\n", - "\n", - "The actual simulation is performed by a `Protocol`. We'll use an OpenMM-based hybrid topology relative free energy `Protocol`." - ] - }, - { - "cell_type": "code", - "execution_count": 27, - "id": "3f394a0d", - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "protocol = SepTopProtocol(settings=settings)" - ] - }, - { - "cell_type": "markdown", - "id": "1e29d1c8", - "metadata": {}, - "source": [ - "## Creating the `AlchemicalNetwork`\n", - "\n", - "The `AlchemicalNetwork` contains all the information needed to run the entire campaign. It consists of a `Transformation` for each leg of the campaign. We'll loop over all the mappings, and then loop over the legs. In that inner loop, we'll make each transformation." - ] - }, - { - "cell_type": "code", - "execution_count": 28, - "id": "66666a80", - "metadata": {}, - "outputs": [], - "source": [ - "transformations = []\n", - "for edge in ligand_network.edges:\n", - " # use the solvent and protein created above\n", - " sysA_dict = {'ligand': edge.componentA,\n", - " 'protein': comp,\n", - " 'solvent': solvent}\n", - " sysB_dict = {'ligand': edge.componentB,\n", - " 'protein': comp,\n", - " 'solvent': solvent}\n", - " \n", - " # we don't have to name objects, but it can make things (like filenames) more convenient\n", - " sysA = openfe.ChemicalSystem(sysA_dict, name=f\"{edge.componentA.name}\")\n", - " sysB = openfe.ChemicalSystem(sysB_dict, name=f\"{edge.componentB.name}\")\n", - " \n", - " prefix = \"rbfe_\" # prefix is only to exactly reproduce CLI\n", - " \n", - " transformation = openfe.Transformation(\n", - " stateA=sysA,\n", - " stateB=sysB,\n", - " mapping=None,\n", - " protocol=protocol, # use protocol created above\n", - " name=f\"{prefix}{sysA.name}_{sysB.name}\"\n", - " )\n", - " transformations.append(transformation)\n", - "\n", - "network = openfe.AlchemicalNetwork(transformations)" - ] - }, - { - "cell_type": "markdown", - "id": "6c61fe36", - "metadata": {}, - "source": [ - "## Writing the `AlchemicalNetwork` to disk\n", - "\n", - "We'll write out each transformation to disk, so that they can be run independently using the `openfe quickrun` command:" - ] - }, - { - "cell_type": "code", - "execution_count": 30, - "id": "d6cebd9a", - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "import pathlib\n", - "# first we create the directory\n", - "transformation_dir = pathlib.Path(\"transformations_septop_tyk2\")\n", - "transformation_dir.mkdir(exist_ok=True)\n", - "\n", - "# then we write out each transformation\n", - "for transformation in network.edges:\n", - " transformation.to_json(transformation_dir / f\"{transformation.name}.json\")" - ] - }, - { - "cell_type": "markdown", - "id": "c30e8ae2", - "metadata": {}, - "source": [ - "Each of these individual .json files contains a Transformation, which contains all the information to run the calculation. These could be farmed out as individual jobs on a HPC cluster.\n", - "\n", - "You can run the SepTop simulation from the CLI by using the openfe quickrun command. It takes a transformation JSON as input, and the flags -o to give the final output JSON file and -d for the directory where simulation results should be stored. For example,\n", - "\n", - "`openfe quickrun path/to/transformation.json -o results.json -d working-directory`\n", - "\n", - "where path/to/transformation.json is the path to one of the files created above." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "ec1ce3bb-04a4-4ef9-89a8-d32c3819be86", - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.12.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} From 8ad344ce44cc9951a273b919da6201e5d5df15e1 Mon Sep 17 00:00:00 2001 From: IAlibay Date: Fri, 21 Nov 2025 16:31:41 +0000 Subject: [PATCH 4/7] Updating OpenFold to OpenFE notebook --- 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'forcefield_cache': 'db.json',\n", - " 'log_output': 'equil_simulation',\n", - " 'minimized_structure': 'minimized',\n", - " 'output_indices': 'all',\n", - " 'preminimized_structure': 'system',\n", - " 'production_trajectory_filename': 'equil_production',\n", - " 'trajectory_write_interval': },\n", - " 'complex_equil_simulation_settings': {'equilibration_length': ,\n", - " 'equilibration_length_nvt': ,\n", - " 'minimization_steps': 5000,\n", - " 'production_length': },\n", - " 'complex_lambda_settings': {'lambda_elec_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.25,\n", - " 0.5,\n", - " 0.75,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0],\n", - " 'lambda_elec_B': [1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 0.75,\n", - " 0.5,\n", - " 0.25,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0],\n", - " 'lambda_restraints_A': [0.0,\n", - " 0.05,\n", - " 0.1,\n", - " 0.3,\n", - " 0.5,\n", - " 0.75,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0],\n", - " 'lambda_restraints_B': [1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 1.0,\n", - " 0.75,\n", - " 0.5,\n", - " 0.3,\n", - " 0.1,\n", - " 0.05,\n", - " 0.0],\n", - " 'lambda_vdw_A': [0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.14285714285714285,\n", - " 0.2857142857142857,\n", - " 0.42857142857142855,\n", - " 0.5714285714285714,\n", - " 0.7142857142857142,\n", - " 0.8571428571428571,\n", - " 1.0],\n", - " 'lambda_vdw_B': [1.0,\n", - " 0.8571428571428572,\n", - " 0.7142857142857143,\n", - " 0.5714285714285714,\n", - " 0.4285714285714286,\n", - " 0.2857142857142858,\n", - " 0.1428571428571429,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0]},\n", - " 'complex_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'complex_checkpoint.nc',\n", - " 'forcefield_cache': 'db.json',\n", - " 'output_filename': 'complex.nc',\n", - " 'output_indices': 'not water',\n", - " 'output_structure': 'alchemical_system.pdb',\n", - " 'positions_write_frequency': ,\n", - " 'velocities_write_frequency': None},\n", - " 'complex_restraint_settings': {'K_phiA': ,\n", - " 'K_phiB': ,\n", - " 'K_phiC': ,\n", - " 'K_r': ,\n", - " 'K_thetaA': ,\n", - " 'K_thetaB': ,\n", - " 'anchor_finding_strategy': 'bonded',\n", - " 'dssp_filter': True,\n", - " 'guest_atoms': None,\n", - " 'host_atoms': None,\n", - " 'host_max_distance': ,\n", - " 'host_min_distance': ,\n", - " 'host_selection': 'backbone',\n", - " 'rmsf_cutoff': },\n", - " 'complex_simulation_settings': {'early_termination_target_error': ,\n", - " 'equilibration_length': ,\n", - " 'minimization_steps': 5000,\n", - " 'n_replicas': 19,\n", - " 'production_length': ,\n", - " 'real_time_analysis_interval': ,\n", - " 'real_time_analysis_minimum_time': ,\n", - " 'sampler_method': 'repex',\n", - " 'sams_flatness_criteria': 'logZ-flatness',\n", - " 'sams_gamma0': 1.0,\n", - " 'time_per_iteration': },\n", - " 'complex_solvation_settings': {'box_shape': 'dodecahedron',\n", - " 'box_size': None,\n", - " 'box_vectors': None,\n", - " 'number_of_solvent_molecules': None,\n", - " 'solvent_model': 'tip3p',\n", - " 'solvent_padding': },\n", - " 'engine_settings': {'compute_platform': 'CUDA', 'gpu_device_index': None},\n", - " 'forcefield_settings': {'constraints': 'hbonds',\n", - " 'forcefields': ['amber/ff14SB.xml',\n", - " 'amber/tip3p_standard.xml',\n", - " 'amber/tip3p_HFE_multivalent.xml',\n", - " 'amber/phosaa10.xml'],\n", - " 'hydrogen_mass': 3.0,\n", - " 'nonbonded_cutoff': ,\n", - " 'nonbonded_method': 'PME',\n", - " 'rigid_water': True,\n", - " 'small_molecule_forcefield': 'openff-2.2.1'},\n", - " 'integrator_settings': {'barostat_frequency': ,\n", - " 'constraint_tolerance': 1e-06,\n", - " 'langevin_collision_rate': ,\n", - " 'n_restart_attempts': 20,\n", - " 'reassign_velocities': False,\n", - " 'remove_com': False,\n", - " 'timestep': },\n", - " 'partial_charge_settings': {'nagl_model': None,\n", - " 'number_of_conformers': None,\n", - " 'off_toolkit_backend': 'ambertools',\n", - " 'partial_charge_method': 'am1bcc'},\n", - " 'protocol_repeats': 1,\n", - " 'solvent_equil_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'checkpoint.chk',\n", - " 'equil_npt_structure': 'equil_npt',\n", - " 'equil_nvt_structure': None,\n", - " 'forcefield_cache': 'db.json',\n", - 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[0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.15,\n", - " 0.23,\n", - " 0.3,\n", - " 0.4,\n", - " 0.52,\n", - " 0.64,\n", - " 0.76,\n", - " 0.88,\n", - " 1.0],\n", - " 'lambda_vdw_B': [1.0,\n", - " 0.85,\n", - " 0.77,\n", - " 0.7,\n", - " 0.6,\n", - " 0.48,\n", - " 0.36,\n", - " 0.24,\n", - " 0.12,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0,\n", - " 0.0]},\n", - " 'solvent_output_settings': {'checkpoint_interval': ,\n", - " 'checkpoint_storage_filename': 'solvent_checkpoint.nc',\n", - " 'forcefield_cache': 'db.json',\n", - " 'output_filename': 'solvent.nc',\n", - " 'output_indices': 'not water',\n", - " 'output_structure': 'alchemical_system.pdb',\n", - " 'positions_write_frequency': ,\n", - " 'velocities_write_frequency': None},\n", - " 'solvent_restraint_settings': {'central_atoms_only': False,\n", - " 'guest_atoms': None,\n", - " 'host_atoms': None,\n", - " 'spring_constant': },\n", - " 'solvent_simulation_settings': {'early_termination_target_error': ,\n", - " 'equilibration_length': ,\n", - " 'minimization_steps': 5000,\n", - " 'n_replicas': 27,\n", - " 'production_length': ,\n", - " 'real_time_analysis_interval': ,\n", - " 'real_time_analysis_minimum_time': ,\n", - " 'sampler_method': 'repex',\n", - " 'sams_flatness_criteria': 'logZ-flatness',\n", - " 'sams_gamma0': 1.0,\n", - " 'time_per_iteration': },\n", - " 'solvent_solvation_settings': {'box_shape': 'dodecahedron',\n", - " 'box_size': None,\n", - " 'box_vectors': None,\n", - " 'number_of_solvent_molecules': None,\n", - " 'solvent_model': 'tip3p',\n", - " 'solvent_padding': },\n", - " 'thermo_settings': {'ph': None,\n", - " 'pressure': ,\n", - " 'redox_potential': None,\n", - " 'temperature': }}\n" - ] - } - ], - "source": [ - "settings" - ] - }, - { - "cell_type": "markdown", - "id": "340d1a6e", - "metadata": {}, - "source": [ - "### Creating a `Protocol`\n", - "\n", - "The actual simulation is performed by a `Protocol`. We'll use an OpenMM-based hybrid topology relative free energy `Protocol`." - ] - }, - { - "cell_type": "code", - "execution_count": 27, - "id": "3f394a0d", - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "protocol = SepTopProtocol(settings=settings)" - ] - }, - { - "cell_type": "markdown", - "id": "1e29d1c8", - "metadata": {}, - "source": [ - "## Creating the `AlchemicalNetwork`\n", - "\n", - "The `AlchemicalNetwork` contains all the information needed to run the entire campaign. It consists of a `Transformation` for each leg of the campaign. We'll loop over all the mappings, and then loop over the legs. In that inner loop, we'll make each transformation." - ] - }, - { - "cell_type": "code", - "execution_count": 28, - "id": "66666a80", - "metadata": {}, - "outputs": [], - "source": [ - "transformations = []\n", - "for edge in ligand_network.edges:\n", - " # use the solvent and protein created above\n", - " sysA_dict = {'ligand': edge.componentA,\n", - " 'protein': comp,\n", - " 'solvent': solvent}\n", - " sysB_dict = {'ligand': edge.componentB,\n", - " 'protein': comp,\n", - " 'solvent': solvent}\n", - " \n", - " # we don't have to name objects, but it can make things (like filenames) more convenient\n", - " sysA = openfe.ChemicalSystem(sysA_dict, name=f\"{edge.componentA.name}\")\n", - " sysB = openfe.ChemicalSystem(sysB_dict, name=f\"{edge.componentB.name}\")\n", - " \n", - " prefix = \"rbfe_\" # prefix is only to exactly reproduce CLI\n", - " \n", - " transformation = openfe.Transformation(\n", - " stateA=sysA,\n", - " stateB=sysB,\n", - " mapping=None,\n", - " protocol=protocol, # use protocol created above\n", - " name=f\"{prefix}{sysA.name}_{sysB.name}\"\n", - " )\n", - " transformations.append(transformation)\n", - "\n", - "network = openfe.AlchemicalNetwork(transformations)" - ] - }, - { - "cell_type": "markdown", - "id": "6c61fe36", - "metadata": {}, - "source": [ - "## Writing the `AlchemicalNetwork` to disk\n", - "\n", - "We'll write out each transformation to disk, so that they can be run independently using the `openfe quickrun` command:" - ] - }, - { - "cell_type": "code", - "execution_count": 30, - "id": "d6cebd9a", - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "import pathlib\n", - "# first we create the directory\n", - "transformation_dir = pathlib.Path(\"transformations_septop_tyk2\")\n", - "transformation_dir.mkdir(exist_ok=True)\n", - "\n", - "# then we write out each transformation\n", - "for transformation in network.edges:\n", - " transformation.to_json(transformation_dir / f\"{transformation.name}.json\")" - ] - }, - { - "cell_type": "markdown", - "id": "c30e8ae2", - "metadata": {}, - "source": [ - "Each of these individual .json files contains a Transformation, which contains all the information to run the calculation. These could be farmed out as individual jobs on a HPC cluster.\n", - "\n", - "You can run the SepTop simulation from the CLI by using the openfe quickrun command. It takes a transformation JSON as input, and the flags -o to give the final output JSON file and -d for the directory where simulation results should be stored. For example,\n", - "\n", - "`openfe quickrun path/to/transformation.json -o results.json -d working-directory`\n", - "\n", - "where path/to/transformation.json is the path to one of the files created above." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "ec1ce3bb-04a4-4ef9-89a8-d32c3819be86", - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.12.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/cookbook/openfold3_to_openfe.ipynb b/cookbook/openfold3_to_openfe.ipynb new file mode 100644 index 0000000..58a0c6e --- /dev/null +++ b/cookbook/openfold3_to_openfe.ipynb @@ -0,0 +1,1053 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "35354229", + "metadata": {}, + "source": [ + " \n", + "\n", + "# OpenFE binding affinity predictions from OpenFold3 generated structures" + ] + }, + { + "cell_type": "markdown", + "id": "0d905dc8-e11b-4088-82f5-2c2cefef3973", + "metadata": {}, + "source": [ + "## Introduction\n", + "\n", + "This notebook offers a brief preview of some of the steps one would need to go through to calculate binding affinities using [OpenFE](https://docs.openfree.energy/en/latest/) with [OpenFold3](https://openfold-3.readthedocs.io/en/latest/) generated structures.\n", + "\n", + "Notably, we will demonstrate how to generate a set of predictions, clean them up for use in molecular dynamics simulations, and then apply them to both relative binding free energy (RBFE) and absolute binding free energy (ABFE) methods." + ] + }, + { + "cell_type": "markdown", + "id": "ada5c811-8603-4473-8040-7fd370b4a1cf", + "metadata": {}, + "source": [ + "

    \n", + "⚠️ Important Note:\n", + " Please note that this notebook does not offer an exhaustive look into all everyone you may need to do when parsing OpenFold3 inputs into OpenFE. Where possible, we offer insights into some of the other hurdles you may face, but you are likely to encounter more in production settings.\n", + "
    " + ] + }, + { + "cell_type": "markdown", + "id": "1e89d5ef-e362-4335-9cbb-9752341b29f9", + "metadata": {}, + "source": [ + "## Overview\n", + "\n", + "In this example notebook we demonstrate how to predict and run simulations for different ligands bound to tyrosine kinase 2 (TYK2). The dataset comes from the [Wang et al. JACS 2015 dataset](https://pubs.acs.org/doi/10.1021/ja512751q).\n", + "\n", + "
    \n", + "\n", + "\n", + "**The tutorial is broken into the following steps:**\n", + "\n", + "1. Run cofolding with OpenFold3 on a set of TYK2 ligands\n", + "\n", + "2. Processing the OpenFold3 output for use with OpenFE\n", + "\n", + " - Choosing a reference protein structure\n", + " - Aligning & extracting the ncessary ligands & protein structures.\n", + " - Fixing & protonating the reference protein structure.\n", + "\n", + "3. Loading structures into OpenFE Components\n", + "\n", + "4. Creating an Absolute Binding Free Energy Transformation\n", + "\n", + "5. Creating a SepTop Relative Binding Free Energy Transformation\n", + "\n", + "6. Creating a Hybrid Topology Relative Binding Free Energy Transformation" + ] + }, + { + "cell_type": "markdown", + "id": "2fea29c3", + "metadata": {}, + "source": [ + "## 1. Run cofolding with OpenFold3 on a set of TYK2 ligands\n", + "\n", + "### Preparing the Input JSON for OpenFold\n", + "\n", + "First we need to create an input JSON file for OpenFold. This step requires assembling two key pieces of information:\n", + "\n", + "- Ligand SMILES strings\n", + "- Protein sequence (extracted from the PDB file)\n", + "\n", + "In this workflow, we begin with an SDF file containing the ligands.\n", + "We extract the SMILES representation for each ligand and store them in a dictionary alongside their ligand identifiers." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "08962d91-a334-4c89-adf1-19be6f2bdb16", + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "ligands_file = \"assets/tyk2_ligands.sdf\"\n", + "from rdkit.Chem.Descriptors3D import Asphericity\n", + "from rdkit import Chem\n", + "\n", + "ligands_dict = {}\n", + "sppl = Chem.SDMolSupplier(ligands_file, removeHs=True)\n", + "for mol in sppl:\n", + " smi = Chem.MolToSmiles(mol)\n", + " name = mol.GetProp(\"_Name\")\n", + " ligands_dict[name] = smi" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "1c55bfeb-c1bc-4af8-98da-43ff8c1de141", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "{'lig_ejm_31': 'CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_42': 'CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_43': 'CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_ejm_46': 'O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_47': 'O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_48': 'O=C(Nc1ccnc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_ejm_50': 'O=C(CO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1',\n", + " 'lig_jmc_23': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_jmc_27': 'O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2Cl)c1)c1c(Cl)cccc1Cl',\n", + " 'lig_jmc_28': 'C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1'}" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "ligands_dict" + ] + }, + { + "cell_type": "markdown", + "id": "80da7967-8046-44e4-aef7-c81ac6712f98", + "metadata": {}, + "source": [ + "We then create the json file that will be the OpenFold input." + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "25a8ba0c-311c-476e-9913-9b39611c708d", + "metadata": {}, + "outputs": [], + "source": [ + "import json\n", + "\n", + "# Protein sequence and chain ID\n", + "protein_info = {\n", + " \"molecule_type\": \"protein\",\n", + " \"chain_ids\": \"A\",\n", + " \"sequence\": \"MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADAGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDAGAASLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPAEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH\"\n", + "}\n", + "\n", + "# Build the queries dictionary\n", + "queries = {}\n", + "\n", + "for name, smiles in ligands_dict.items():\n", + " queries[name] = {\n", + " \"chains\": [\n", + " protein_info,\n", + " {\n", + " \"molecule_type\": \"ligand\",\n", + " \"chain_ids\": \"Z\", \n", + " \"smiles\": smiles\n", + " }\n", + " ]\n", + " }\n", + "\n", + "# Write to JSON\n", + "with open(\"queries.json\", \"w\") as f:\n", + " json.dump({\"queries\": queries}, f, indent=4)" + ] + }, + { + "cell_type": "markdown", + "id": "a2546f36-2ca2-4793-ad4b-19b6e76574ae", + "metadata": {}, + "source": [ + "### Running OpenFold\n", + "\n", + "#### Defining the output settings\n", + "\n", + "By default OpenFold3 outputs `.mmcif` files, but OpenFE requires `.pdb` files. We can ask OpenFold to generate this instead by defining it in the output settings.\n", + "\n", + "To do this, create an `output_settings.yml` file to specify .pdb as the output file format:\n", + "\n", + "```\n", + "output_writer_settings:\n", + " # change output format to pdb (default: mmcif):\n", + " structure_format: pdb\n", + "```\n", + "\n", + "#### Running OpenFold\n", + "\n", + "With all these inputs, you can now run OpenFold:\n", + "\n", + "`run_openfold predict --query_json=queries.json --runner_yaml output_settings.yml`" + ] + }, + { + "cell_type": "markdown", + "id": "b4adde29-282a-45f6-96a6-c8de0700a266", + "metadata": {}, + "source": [ + "## 2. Processing the OpenFold3 output for use with OpenFE\n", + "\n", + "
    \n", + "⚠️ Important Note:\n", + " Here we use the first model for each complex predicted by OpenFold3. In practice you would filter through all predicted models, possibly using pose busters (https://github.com/maabuu/posebusters) and some other scoring metrics to identify the most plausible inputs.\n", + "
    " + ] + }, + { + "cell_type": "markdown", + "id": "eaf920be-9e16-402b-9fc5-8e1d4f3712cf", + "metadata": {}, + "source": [ + "### Preparing & extracting the structures\n", + "\n", + "Now that we have a set of predicted structures, we must extract the relevant information from the PDB files.\n", + "This means:\n", + "\n", + "1. Choosing a reference protein structure which will be used for all binding affinity predictions\n", + "\n", + " - This is necessary for RBFE simulations, where a single structure must be kept constant throughout the transformations. Note that for ABFE simulations, this step can be avoided.\n", + " - For the sake of this demonstration, we will be choosing the predicted structure that is bound to the ligand occupying the largest volume. The idea here being that hopefully the binding site of that structure can accomodate all the other ligands. We note that in practice this is not always true.\n", + "\n", + "2. Aligning all the structures to the chosen structure\n", + "\n", + " - This is so that we can extract the ligands and use them with the chosen structure.\n", + "\n", + "3. Extracting the ligands to SDF files and the chosen protein structure to a PDB file.\n", + "\n", + "4. Fixing protonation & capping issues with the PDB file.\n", + "\n", + "\n", + "#### Choosing a reference protein structure\n", + "\n", + "As mentioned above, we will select a reference protein structure for all simulations going forward. To do this, we naively select the structure bound to a ligand with the largest volume.\n", + "\n", + "Here we load in all the structures into MDAnalysis, extract the ligands into RDKit molecules using their initial SMILES definitions as bond/formal charge templates, and then get the ligand with the largest volume using the `Asphericity` 3D descriptor." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "25ef33bf-fb1a-45da-96e4-004f77ef7d34", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/ialibay/software/mambaforge/install/envs/openfe/lib/python3.12/site-packages/Bio/Application/__init__.py:39: BiopythonDeprecationWarning: The Bio.Application modules and modules relying on it have been deprecated.\n", + "\n", + "Due to the on going maintenance burden of keeping command line application\n", + "wrappers up to date, we have decided to deprecate and eventually remove these\n", + "modules.\n", + "\n", + "We instead now recommend building your command line and invoking it directly\n", + "with the subprocess module.\n", + " warnings.warn(\n", + "/home/ialibay/software/mambaforge/install/envs/openfe/lib/python3.12/site-packages/MDAnalysis/coordinates/PDB.py:777: UserWarning: Unit cell dimensions not found. CRYST1 record set to unitary values.\n", + " warnings.warn(\"Unit cell dimensions not found. \"\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Extracting ligand from assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_50_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_31_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_42_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_47_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_48_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_jmc_28_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_46_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_ejm_43_seed_42_sample_1_model.pdb...\n", + "Extracting ligand from assets/of3_output/lig_jmc_23_seed_42_sample_1_model.pdb...\n", + "Largest ligand is lig_jmc_27 with volume 0.527086179283399\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[15:56:44] WARNING: More than one matching pattern found - picking one\n", + "\n" + ] + } + ], + "source": [ + "import MDAnalysis as mda\n", + "from MDAnalysis.analysis import align\n", + "from rdkit import Chem\n", + "from rdkit.Chem import AllChem\n", + "import pathlib\n", + "from rdkit.Chem.Descriptors3D import Asphericity\n", + "\n", + "# gather all the complexes and align to a single structure which has the largest ligand by volume?\n", + "ligand_templates = {\n", + " \"lig_ejm_31\": \"CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\",\n", + " \"lig_ejm_42\": \"CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\",\n", + " \"lig_ejm_43\": \"CC(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\",\n", + " \"lig_ejm_46\": \"O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl\",\n", + " \"lig_ejm_47\": \"O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl\",\n", + " \"lig_ejm_48\": \"O=C(Nc1ccnc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1Cl\",\n", + " \"lig_ejm_50\": \"O=C(CO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\",\n", + " \"lig_jmc_23\": \"O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2F)c1)c1c(Cl)cccc1Cl\",\n", + " \"lig_jmc_27\": \"O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2Cl)c1)c1c(Cl)cccc1Cl\",\n", + " \"lig_jmc_28\": \"C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\"\n", + "}\n", + "output_root = pathlib.Path(\"assets/of3_output\")\n", + "temp_dir = pathlib.Path(\"assets/of3_output/temp_ligands\")\n", + "temp_dir.mkdir(exist_ok=True)\n", + "# load all the output pdbs and calculate ligand volumes\n", + "ligand_volumes = {}\n", + "for output_file in output_root.glob(\"*.pdb\"):\n", + " ligand_name = output_file.name.split('_seed')[0]\n", + " print(f\"Extracting ligand from {output_file}...\")\n", + " u = mda.Universe(str(output_file))\n", + " ligand = u.select_atoms(\"resname LIG\")\n", + " # write the ligand to a temporary file\n", + " ligand.write(str(temp_dir / f\"{ligand_name}.pdb\"))\n", + " # now load back with rdkit\n", + " rdkit_mol = Chem.MolFromPDBFile(str(temp_dir / f\"{ligand_name}.pdb\"), removeHs=True)\n", + " # now use a template to make sure the bond orders are correct\n", + " template_mol = Chem.MolFromSmiles(ligand_templates[ligand_name])\n", + " rdkit_mol = AllChem.AssignBondOrdersFromTemplate(template_mol, rdkit_mol)\n", + " # calculate the volume\n", + " vsa = Asphericity(rdkit_mol)\n", + " ligand_volumes[ligand_name] = vsa\n", + "\n", + "# find the ligand with the largest volume\n", + "largest_ligand = max(ligand_volumes, key=ligand_volumes.get)\n", + "print(f\"Largest ligand is {largest_ligand} with volume {ligand_volumes[largest_ligand]}\")" + ] + }, + { + "cell_type": "markdown", + "id": "6056e755-0da0-4712-b4ae-7a721c94851d", + "metadata": {}, + "source": [ + "#### Aligning & extracting the necessary structures\n", + "\n", + "Next we align all the models back to the reference structure. We then extract all the ligands and the protein atoms from the reference." + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "id": "26c10e11-f001-44e5-87a4-2939ead048a8", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Aligning assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_50_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_31_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_42_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_47_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_48_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_jmc_28_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_46_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_ejm_43_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n", + "Aligning assets/of3_output/lig_jmc_23_seed_42_sample_1_model.pdb to assets/of3_output/lig_jmc_27_seed_42_sample_1_model.pdb\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n", + "[16:00:27] WARNING: More than one matching pattern found - picking one\n", + "\n" + ] + } + ], + "source": [ + "reference_pdb = f\"assets/of3_output/{largest_ligand}_seed_42_sample_1_model.pdb\"\n", + "other_pdb = pathlib.Path(\"assets/of3_output/\").glob(\"*_seed_42_sample_1_model.pdb\")\n", + "output_dir = pathlib.Path(\"assets/of3_output/p_aligned\")\n", + "output_dir.mkdir(exist_ok=True)\n", + "\n", + "ref = mda.Universe(reference_pdb)\n", + "for pdb in other_pdb:\n", + " print(f\"Aligning {pdb} to {reference_pdb}\")\n", + " ligand = pdb.name.split('_seed')[0]\n", + " mob = mda.Universe(pdb)\n", + "\n", + " # 2) Align mobile → reference using protein backbone\n", + " ref_prot = ref.select_atoms(\"protein and backbone\")\n", + " mob_prot = mob.select_atoms(\"protein and backbone\")\n", + " \n", + " # Perform alignment in-place\n", + " align.alignto(mob_prot, ref_prot)\n", + " aligned_ligand = mob.select_atoms(\"resname LIG\")\n", + " aligned_ligand.write(f'{output_dir}/{ligand}.pdb')\n", + " # load back into rdkit to add hydrogens\n", + " rdkit_mol = Chem.MolFromPDBFile(f'{output_dir}/{ligand}.pdb', removeHs=True)\n", + " # use the template to assign bond orders\n", + " template_mol = Chem.MolFromSmiles(ligand_templates[ligand])\n", + " rdkit_mol = AllChem.AssignBondOrdersFromTemplate(template_mol, rdkit_mol)\n", + " # Add hydrogens\n", + " rdkit_mol = AllChem.AddHs(rdkit_mol, addCoords=True)\n", + " # Set the molecule name\n", + " rdkit_mol.SetProp('_Name', f\"{ligand}\")\n", + " # write to sdf\n", + " Chem.MolToMolFile(rdkit_mol, output_dir / f\"{ligand}_prepped.sdf\")\n", + "\n", + " # For the reference pdb, save the protein alone\n", + " if pdb.name.split('_seed')[0] == largest_ligand:\n", + " full_protein = mob.select_atoms(\"protein\")\n", + " full_protein.write(f'{output_dir}/protein.pdb')" + ] + }, + { + "cell_type": "markdown", + "id": "fe3ca792-4615-4be3-8a41-feb0819e968d", + "metadata": {}, + "source": [ + "
    \n", + "⚠️ Important Note:\n", + "

    \n", + " Here simply we assign ligand protonation states to those we defined at the start of this exercise. Additionally, below we will assign protein protonation states using PDBFixer at pH 7 without accounting for the ligand.

    \n", + " In practice more care would be taken when protonating the complexes, using more complex tools such as Maestro or OpenEye's Spruce. For example, ligand protonation states may change depending on the chemical environment they are bound to.\n", + "
    " + ] + }, + { + "cell_type": "markdown", + "id": "10b42b56-2f47-4215-8397-fcf7473c4860", + "metadata": {}, + "source": [ + "#### Fixing & protonating the reference protein structure\n", + "\n", + "The PDB contains the heavy atoms of the protein but is missing hydrogens and caps. Here we call PDBFixer to add hydrogens at pH 7 and add protein caps." + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "id": "ea82c47d-9794-424c-8d27-a9c6e69d29e8", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/ialibay/software/mambaforge/install/envs/openfe/lib/python3.12/pty.py:95: DeprecationWarning: This process (pid=160317) is multi-threaded, use of forkpty() may lead to deadlocks in the child.\n", + " pid, fd = os.forkpty()\n" + ] + } + ], + "source": [ + "# now run the reference protein through pdbfixer\n", + "! pdbfixer assets/of3_output/p_aligned/protein.pdb --add-atoms=all --add-residues --output=assets/of3_output/p_aligned/protein_fixed.pdb" + ] + }, + { + "cell_type": "markdown", + "id": "89e52270-514c-4b21-8179-07c7319ff468", + "metadata": {}, + "source": [ + "## 3. Creating OpenFE components from the inputs\n", + "\n", + "Now we can create OpenFE components from the files we prepared above.\n", + "\n", + "### Loading ligands and assigning partial charges\n", + "\n", + "First we load the ligands and assign them partial charges using OpenFF's NAGL model." + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "fc97de03", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Generating charges: 100%|███████████████████████| 10/10 [00:06<00:00, 1.57it/s]\n" + ] + } + ], + "source": [ + "import glob\n", + "import openfe\n", + "from openfe.protocols.openmm_utils.omm_settings import OpenFFPartialChargeSettings\n", + "from openfe.protocols.openmm_utils.charge_generation import bulk_assign_partial_charges\n", + "\n", + "# Load all the ligands\n", + "ligand_sdfs = glob.glob('assets/of3_output/p_aligned/*_prepped.sdf')\n", + "ligands = []\n", + "for l in ligand_sdfs:\n", + " ligand = openfe.SmallMoleculeComponent.from_sdf_file(l)\n", + " ligands.append(ligand)\n", + "\n", + "# Generate partial charges\n", + "charge_settings = OpenFFPartialChargeSettings(partial_charge_method=\"nagl\")\n", + "\n", + "charged_ligands = bulk_assign_partial_charges(\n", + " molecules=ligands,\n", + " overwrite=False,\n", + " method=charge_settings.partial_charge_method,\n", + " toolkit_backend=charge_settings.off_toolkit_backend,\n", + " generate_n_conformers=1,\n", + " nagl_model=None,\n", + " processors=1\n", + ")" + ] + }, + { + "cell_type": "markdown", + "id": "0d1e9f9d-ebe0-4fd5-be6f-fe03f7db75ee", + "metadata": {}, + "source": [ + "Then we can load the reference protein to a ProteinComponent." + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "id": "88bbbbca-4f6a-4496-bea9-f621ffd8183e", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/ialibay/software/mambaforge/install/envs/openfe/lib/python3.12/site-packages/gufe/components/explicitmoleculecomponent.py:60: UserWarning: Molecule doesn't have any hydrogen atoms present. If this is unexpected, consider loading the molecule with `removeHs=False`\n", + " warnings.warn(\n" + ] + } + ], + "source": [ + "protein = openfe.ProteinComponent.from_pdb_file(\"assets/of3_output/p_aligned/protein.pdb\")" + ] + }, + { + "cell_type": "markdown", + "id": "7936a780-99a5-4bcb-addf-64646b9f3a4d", + "metadata": {}, + "source": [ + "Finally, let's also define a SolventComponent which we will use to define our Transformations." + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "id": "30373ee0-d777-4828-b89a-5a8fdbc56c41", + "metadata": {}, + "outputs": [], + "source": [ + "solvent = openfe.SolventComponent()" + ] + }, + { + "cell_type": "markdown", + "id": "8a83aff9-a356-4a3f-aeed-cc3a0e989cf5", + "metadata": {}, + "source": [ + "## 4. Creating an Absolute Binding Free Energy Transformation\n", + "\n", + "Using these inputs, we can create ABFE Transformations. For the sake of simplicity, we will only create a Transformation for `lig_jmc_27`.\n", + "\n", + "First we create the `ChemicalSystems` defining the end states of the simulation:" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "id": "c405e50c-1df3-4bef-8278-393550e1fc6a", + "metadata": {}, + "outputs": [], + "source": [ + "ligand = [l for l in charged_ligands if l.name == 'lig_jmc_27'][0]" + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "id": "987a1657-82d0-4310-9fe7-4eecd289632a", + "metadata": {}, + "outputs": [], + "source": [ + "# Create the two end states\n", + "\n", + "# state A is the complex\n", + "stateA = openfe.ChemicalSystem({\n", + " 'ligand': ligand,\n", + " 'protein': protein,\n", + " 'solvent': solvent,\n", + "})\n", + "\n", + "# state B is the system without the ligand\n", + "stateB = openfe.ChemicalSystem({\n", + " 'protein': protein,\n", + " 'solvent': solvent,\n", + "})" + ] + }, + { + "cell_type": "markdown", + "id": "b576d9b0-b81e-4dc1-8bf0-26fc1585b757", + "metadata": {}, + "source": [ + "Next we create the Protocol. We use the default settings, except to help us execute in parallel we set the number of repeats to 1." + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "id": "037cb959-8f0c-4a09-844a-30e39590eabf", + "metadata": {}, + "outputs": [], + "source": [ + "from openfe.protocols.openmm_afe import AbsoluteBindingProtocol\n", + "\n", + "settings = AbsoluteBindingProtocol.default_settings()\n", + "settings.protocol_repeats = 1\n", + "protocol = AbsoluteBindingProtocol(settings=settings)" + ] + }, + { + "cell_type": "markdown", + "id": "8a643c9b-5510-4ae4-9b10-0af779821e66", + "metadata": {}, + "source": [ + "Finally we create the `Transformation` object." + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "id": "ef7a9ebf-e0d7-4dda-aac5-d4428b120814", + "metadata": {}, + "outputs": [], + "source": [ + "abfe_transformation = openfe.Transformation(\n", + " stateA=stateA,\n", + " stateB=stateB,\n", + " mapping=None,\n", + " protocol=protocol, # use protocol created above\n", + " name=f\"{ligand.name}\"\n", + ")" + ] + }, + { + "cell_type": "markdown", + "id": "f9e4f4a1-ed28-4d33-b73b-865dc5023b93", + "metadata": {}, + "source": [ + "## 5. Creating a Separated Topologies Relative Binding Free Energy Transformation\n", + "\n", + "Next we create a SepTop RBFE Transformation. Here we will do the transformation between `lig_jmc_27` and `lig_ejm_46`." + ] + }, + { + "cell_type": "code", + "execution_count": 29, + "id": "7ad01abd-097c-466d-9a3f-74a67e4d9015", + "metadata": {}, + "outputs": [], + "source": [ + "ligandA = [l for l in charged_ligands if l.name == 'lig_jmc_27'][0]\n", + "ligandB = [l for l in charged_ligands if l.name == 'lig_ejm_46'][0]" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "id": "71d4ff18-a837-443d-bc02-69554e7d76cf", + "metadata": {}, + "outputs": [], + "source": [ + "# Create the two end states\n", + "\n", + "# state A is the complex with lig_jmc_27\n", + "stateA = openfe.ChemicalSystem({\n", + " 'ligand': ligandA,\n", + " 'protein': protein,\n", + " 'solvent': solvent,\n", + "})\n", + "\n", + "# state B is the system with lig_ejm_46\n", + "stateB = openfe.ChemicalSystem({\n", + " 'ligand': ligandB,\n", + " 'protein': protein,\n", + " 'solvent': solvent,\n", + "})" + ] + }, + { + "cell_type": "markdown", + "id": "ebde65ab-8a9c-4426-a0c4-91aefd6dea68", + "metadata": {}, + "source": [ + "Next we create the Protocol. We use the default settings, except to help us execute in parallel we set the number of repeats to 1." + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "id": "3e343c11-b693-4700-b1ea-2fa7951afa88", + "metadata": {}, + "outputs": [], + "source": [ + "from openfe.protocols.openmm_septop import SepTopProtocol\n", + "\n", + "settings = SepTopProtocol.default_settings()\n", + "settings.protocol_repeats = 1\n", + "protocol = SepTopProtocol(settings=settings)" + ] + }, + { + "cell_type": "code", + "execution_count": 33, + "id": "a531a0cb-3eda-4d25-89d8-347f470d40ea", + "metadata": {}, + "outputs": [], + "source": [ + "septop_transformation = openfe.Transformation(\n", + " stateA=stateA,\n", + " stateB=stateB,\n", + " mapping=None,\n", + " protocol=protocol, # use protocol created above\n", + " name=f\"{ligandA.name}_to_{ligandB.name}\"\n", + ")" + ] + }, + { + "cell_type": "markdown", + "id": "316727a4-aa8b-43dd-916d-b73244ee829a", + "metadata": {}, + "source": [ + "## 6. Creating a Hybrid Topology Relative Binding Free Energy Transformation\n", + "\n", + "Finally we create a Hybrid Topology RBFE Transformation. Again, as per the SepTop example above, we will do the transformation between `lig_jmc_27` and `lig_ejm_46`." + ] + }, + { + "cell_type": "code", + "execution_count": 34, + "id": "31d18f6d-b938-4de3-9b2f-3c6e9bedd827", + "metadata": {}, + "outputs": [], + "source": [ + "ligandA = [l for l in charged_ligands if l.name == 'lig_jmc_27'][0]\n", + "ligandB = [l for l in charged_ligands if l.name == 'lig_ejm_46'][0]" + ] + }, + { + "cell_type": "markdown", + "id": "dfbf86dd-1162-4cf5-998a-2b2c01e6080c", + "metadata": {}, + "source": [ + "Because the ligands are not guaranteed to be aligned, care must be taken to make sure that there is some core overlap between the ligands. Here we naively use the atom aligner in Kartograf to re-align the ligands." + ] + }, + { + "cell_type": "markdown", + "id": "eb09cf7b-e9e9-4f98-b9a5-7f6cfc9c146b", + "metadata": {}, + "source": [ + "
    \n", + "⚠️ Important Note:\n", + "

    \n", + " This alignment method is naive and error prone. In practice care would be required to make sure that the ligands are properly aligned.\n", + "
    " + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "id": "b5186710-f89e-4c86-998f-4e9fe076a2d8", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/ialibay/software/mambaforge/install/envs/openfe/lib/python3.12/site-packages/gufe/components/explicitmoleculecomponent.py:74: UserWarning: RDKit does not preserve Mol properties when pickled by default, which may drop e.g. atom charges; consider setting `Chem.SetDefaultPickleProperties(Chem.PropertyPickleOptions.AllProps)`\n", + " warnings.warn(\n" + ] + } + ], + "source": [ + "# Align the ligand B to ligand A using align_mol_shape\n", + "from kartograf.atom_aligner import align_mol_shape\n", + "\n", + "ligandB_aligned = align_mol_shape(ligandB, ref_mol=ligandA)" + ] + }, + { + "cell_type": "markdown", + "id": "d8617ab9-77c3-4103-a9fe-233262f19b74", + "metadata": {}, + "source": [ + "With these aligned ligands, we can get a mapping between the two." + ] + }, + { + "cell_type": "code", + "execution_count": 42, + "id": "c8db1e94-c146-4daf-bdb2-4383b4fcd0d6", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "INFO:kartograf.atom_mapper:#################################\n", + "INFO:kartograf.atom_mapper:Map Heavy Atoms \n", + "INFO:kartograf.atom_mapper:#################################\n", + "INFO:kartograf.atom_mapper:Masking Atoms\n", + "INFO:kartograf.atom_mapper:Build Distance Matrix\n", + "INFO:kartograf.atom_mapper:Calculate Mapping\n", + "INFO:kartograf.atom_mapper:Find Maximal overlapping connected sets of mapped atoms\n", + "INFO:kartograf.atom_mapper:#################################\n", + "INFO:kartograf.atom_mapper:Map Hydrogen Atoms: \n", + "INFO:kartograf.atom_mapper:#################################\n", + "INFO:kartograf.atom_mapper:Masking Atoms\n", + "INFO:kartograf.atom_mapper:Build Distance Matrix\n", + "INFO:kartograf.atom_mapper:Calculate Mapping\n", + "INFO:kartograf.atom_mapper:Find Maximal overlapping connected sets of mapped atoms\n", + "INFO:kartograf.atom_mapper:Filtering bond breaks\n" + ] + }, + { + "data": { + "image/png": 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", + "text/plain": [ + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "from kartograf import KartografAtomMapper\n", + "\n", + "mapper = KartografAtomMapper()\n", + "mapping = next(mapper.suggest_mappings(ligandB_aligned, ligandA))\n", + "mapping" + ] + }, + { + "cell_type": "markdown", + "id": "aeb15ac9-9999-4bb9-b5e3-bda5dda01dc9", + "metadata": {}, + "source": [ + "Next we define the end state `ChemicalSystem`s" + ] + }, + { + "cell_type": "code", + "execution_count": 47, + "id": "7d3c436c-fd93-4a3e-9933-e43b00783931", + "metadata": {}, + "outputs": [], + "source": [ + "# Complex transformation ChemicalSystems\n", + "\n", + "# state A is the complex with lig_jmc_27\n", + "stateA_complex = openfe.ChemicalSystem({\n", + " 'ligand': ligandA,\n", + " 'protein': protein,\n", + " 'solvent': solvent,\n", + "})\n", + "\n", + "# state B is the system with lig_ejm_46\n", + "stateB_complex = openfe.ChemicalSystem({\n", + " 'ligand': ligandB_aligned,\n", + " 'protein': protein,\n", + " 'solvent': solvent,\n", + "})" + ] + }, + { + "cell_type": "code", + "execution_count": 48, + "id": "b161b5b6-7718-4a47-b834-e3d88082bb31", + "metadata": {}, + "outputs": [], + "source": [ + "# Solvent transformation ChemicalSystems\n", + "\n", + "# state A is the complex with lig_jmc_27\n", + "stateA_solvent = openfe.ChemicalSystem({\n", + " 'ligand': ligandA,\n", + " 'solvent': solvent,\n", + "})\n", + "\n", + "# state B is the system with lig_ejm_46\n", + "stateB_solvent = openfe.ChemicalSystem({\n", + " 'ligand': ligandB_aligned,\n", + " 'solvent': solvent,\n", + "})" + ] + }, + { + "cell_type": "markdown", + "id": "fe4f8dd1-ffdc-4167-97ca-a24b86002613", + "metadata": {}, + "source": [ + "Then we create the Protocols for both the solvent and complex phases." + ] + }, + { + "cell_type": "code", + "execution_count": 46, + "id": "3bbd3d6d-35f0-490f-8fdd-4debc7874e23", + "metadata": {}, + "outputs": [], + "source": [ + "from openfe.protocols.openmm_rfe import RelativeHybridTopologyProtocol\n", + "from openff.units import unit\n", + "\n", + "complex_rbfe_settings = RelativeHybridTopologyProtocol.default_settings()\n", + "complex_rbfe_settings.protocol_repeats = 1\n", + "# we set the solvent padding to 1 nm in the complex to avoid having too many waters\n", + "complex_rbfe_settings.solvation_settings.solvent_padding = 1 * unit.nm\n", + "\n", + "complex_rbfe_protocol = RelativeHybridTopologyProtocol(settings=complex_rbfe_settings)\n", + "\n", + "solvent_rbfe_settings = RelativeHybridTopologyProtocol.default_settings()\n", + "solvent_rbfe_settings.protocol_repeats = 1\n", + "solvent_rbfe_protocol = RelativeHybridTopologyProtocol(settings=solvent_rbfe_settings)" + ] + }, + { + "cell_type": "markdown", + "id": "9030db1c-35fe-4213-930c-b967832d9c7d", + "metadata": {}, + "source": [ + "Finally we create the Transformations" + ] + }, + { + "cell_type": "code", + "execution_count": 49, + "id": "8b374e77-64fb-48a1-b9ae-9b1dba74ebb5", + "metadata": {}, + "outputs": [], + "source": [ + "transformation_complex = openfe.Transformation(\n", + " stateA=stateA_complex,\n", + " stateB=stateB_complex,\n", + " mapping=mapping,\n", + " protocol=complex_rbfe_protocol, # use complex protocol created above\n", + " name=f\"{ligandA.name}_{ligandB.name}_complex\"\n", + ")\n", + "\n", + "transformation_solvent = openfe.Transformation(\n", + " stateA=stateA_solvent,\n", + " stateB=stateB_solvent,\n", + " mapping=mapping,\n", + " protocol=solvent_rbfe_protocol, # use solvent protocol created above\n", + " name=f\"{ligandA.name}_{ligandB.name}_solvent\"\n", + ")" + ] + }, + { + "cell_type": "markdown", + "id": "6cae5156-f80f-4520-baee-4199774d441a", + "metadata": {}, + "source": [ + "## 7. Creating networks and running the simulations\n", + "\n", + "In practice, one would create entire network of Transformations, and then run all the simulations.\n", + "This notebook will not cover these aspects. To find out more about this, please see the [OpenFE Tutorials](https://docs.openfree.energy/en/latest/tutorials/index.html)." + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.11" + }, + "widgets": { + "application/vnd.jupyter.widget-state+json": { + "state": {}, + "version_major": 2, + "version_minor": 0 + } + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} From 20459838aed52d91948885b335de55455030cb15 Mon Sep 17 00:00:00 2001 From: Irfan Alibay Date: Fri, 21 Nov 2025 20:56:05 +0000 Subject: [PATCH 5/7] Apply suggestions from code review Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com> --- cookbook/openfold3_to_openfe.ipynb | 21 ++++++++++----------- 1 file changed, 10 insertions(+), 11 deletions(-) diff --git a/cookbook/openfold3_to_openfe.ipynb b/cookbook/openfold3_to_openfe.ipynb index 58a0c6e..04b896e 100644 --- a/cookbook/openfold3_to_openfe.ipynb +++ b/cookbook/openfold3_to_openfe.ipynb @@ -17,7 +17,7 @@ "source": [ "## Introduction\n", "\n", - "This notebook offers a brief preview of some of the steps one would need to go through to calculate binding affinities using [OpenFE](https://docs.openfree.energy/en/latest/) with [OpenFold3](https://openfold-3.readthedocs.io/en/latest/) generated structures.\n", + "This notebook offers a brief preview of some of the steps you may need to go through to calculate binding affinities using [OpenFE](https://docs.openfree.energy/en/latest/) with [OpenFold3](https://openfold-3.readthedocs.io/en/latest/) generated structures.\n", "\n", "Notably, we will demonstrate how to generate a set of predictions, clean them up for use in molecular dynamics simulations, and then apply them to both relative binding free energy (RBFE) and absolute binding free energy (ABFE) methods." ] @@ -29,7 +29,7 @@ "source": [ "
    \n", "⚠️ Important Note:\n", - " Please note that this notebook does not offer an exhaustive look into all everyone you may need to do when parsing OpenFold3 inputs into OpenFE. Where possible, we offer insights into some of the other hurdles you may face, but you are likely to encounter more in production settings.\n", + " Please note that this notebook does not offer an exhaustive look into everything you may need to do when parsing OpenFold3 inputs into OpenFE. Where possible, we offer insights into some of the other hurdles you may face, but you are likely to encounter more in production settings.\n", "
    " ] }, @@ -47,7 +47,7 @@ "\n", "**The tutorial is broken into the following steps:**\n", "\n", - "1. Run cofolding with OpenFold3 on a set of TYK2 ligands\n", + "1. Running cofolding with OpenFold3 on a set of TYK2 ligands\n", "\n", "2. Processing the OpenFold3 output for use with OpenFE\n", "\n", @@ -138,7 +138,7 @@ "id": "80da7967-8046-44e4-aef7-c81ac6712f98", "metadata": {}, "source": [ - "We then create the json file that will be the OpenFold input." + "We then create the JSON file that will be the OpenFold input." ] }, { @@ -231,13 +231,11 @@ " - This is necessary for RBFE simulations, where a single structure must be kept constant throughout the transformations. Note that for ABFE simulations, this step can be avoided.\n", " - For the sake of this demonstration, we will be choosing the predicted structure that is bound to the ligand occupying the largest volume. The idea here being that hopefully the binding site of that structure can accomodate all the other ligands. We note that in practice this is not always true.\n", "\n", - "2. Aligning all the structures to the chosen structure\n", + "2. Aligning the structures to the reference & extracting the necessary structures\n", "\n", - " - This is so that we can extract the ligands and use them with the chosen structure.\n", + " - This is so that we can extract the ligands and use them with the chosen structure.\n",.\n", "\n", - "3. Extracting the ligands to SDF files and the chosen protein structure to a PDB file.\n", - "\n", - "4. Fixing protonation & capping issues with the PDB file.\n", + "3. Fixing & protonating the reference protein structure.\n", "\n", "\n", "#### Choosing a reference protein structure\n", @@ -324,7 +322,7 @@ "import pathlib\n", "from rdkit.Chem.Descriptors3D import Asphericity\n", "\n", - "# gather all the complexes and align to a single structure which has the largest ligand by volume?\n", + "# gather all the complexes and align to a single structure which has the largest ligand by volume \n", "ligand_templates = {\n", " \"lig_ejm_31\": \"CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\",\n", " \"lig_ejm_42\": \"CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1\",\n", @@ -500,7 +498,8 @@ ], "source": [ "# now run the reference protein through pdbfixer\n", - "! pdbfixer assets/of3_output/p_aligned/protein.pdb --add-atoms=all --add-residues --output=assets/of3_output/p_aligned/protein_fixed.pdb" + "%% bash\n" + "pdbfixer assets/of3_output/p_aligned/protein.pdb --add-atoms=all --add-residues --output=assets/of3_output/p_aligned/protein_fixed.pdb" ] }, { From 557e1fc6b46fdbfcf8b9d466a8319fb2038a8059 Mon Sep 17 00:00:00 2001 From: IAlibay Date: Fri, 21 Nov 2025 21:06:13 +0000 Subject: [PATCH 6/7] fixes --- cookbook/openfold3_to_openfe.ipynb | 23 ++++++++++++----------- 1 file changed, 12 insertions(+), 11 deletions(-) diff --git a/cookbook/openfold3_to_openfe.ipynb b/cookbook/openfold3_to_openfe.ipynb index 04b896e..9dedb3b 100644 --- a/cookbook/openfold3_to_openfe.ipynb +++ b/cookbook/openfold3_to_openfe.ipynb @@ -51,9 +51,10 @@ "\n", "2. Processing the OpenFold3 output for use with OpenFE\n", "\n", - " - Choosing a reference protein structure\n", - " - Aligning & extracting the ncessary ligands & protein structures.\n", - " - Fixing & protonating the reference protein structure.\n", + " * a) Choosing a reference protein structure\n", + " * b) Aligning & extracting the ncessary ligands & protein structures.\n", + " * c) Fixing & protonating the reference protein structure.\n", + "\n", "\n", "3. Loading structures into OpenFE Components\n", "\n", @@ -226,19 +227,19 @@ "Now that we have a set of predicted structures, we must extract the relevant information from the PDB files.\n", "This means:\n", "\n", - "1. Choosing a reference protein structure which will be used for all binding affinity predictions\n", + "a) Choosing a reference protein structure which will be used for all binding affinity predictions\n", "\n", " - This is necessary for RBFE simulations, where a single structure must be kept constant throughout the transformations. Note that for ABFE simulations, this step can be avoided.\n", " - For the sake of this demonstration, we will be choosing the predicted structure that is bound to the ligand occupying the largest volume. The idea here being that hopefully the binding site of that structure can accomodate all the other ligands. We note that in practice this is not always true.\n", "\n", - "2. Aligning the structures to the reference & extracting the necessary structures\n", + "b) Aligning the structures to the reference & extracting the necessary structures\n", "\n", - " - This is so that we can extract the ligands and use them with the chosen structure.\n",.\n", + " - This is so that we can extract the ligands and use them with the chosen structure.\n", "\n", - "3. Fixing & protonating the reference protein structure.\n", + "c) Fixing & protonating the reference protein structure.\n", "\n", "\n", - "#### Choosing a reference protein structure\n", + "#### a) Choosing a reference protein structure\n", "\n", "As mentioned above, we will select a reference protein structure for all simulations going forward. To do this, we naively select the structure bound to a ligand with the largest volume.\n", "\n", @@ -366,7 +367,7 @@ "id": "6056e755-0da0-4712-b4ae-7a721c94851d", "metadata": {}, "source": [ - "#### Aligning & extracting the necessary structures\n", + "#### b) Aligning & extracting the necessary structures\n", "\n", "Next we align all the models back to the reference structure. We then extract all the ligands and the protein atoms from the reference." ] @@ -476,7 +477,7 @@ "id": "10b42b56-2f47-4215-8397-fcf7473c4860", "metadata": {}, "source": [ - "#### Fixing & protonating the reference protein structure\n", + "#### c) Fixing & protonating the reference protein structure\n", "\n", "The PDB contains the heavy atoms of the protein but is missing hydrogens and caps. Here we call PDBFixer to add hydrogens at pH 7 and add protein caps." ] @@ -498,7 +499,7 @@ ], "source": [ "# now run the reference protein through pdbfixer\n", - "%% bash\n" + "%% bash\n", "pdbfixer assets/of3_output/p_aligned/protein.pdb --add-atoms=all --add-residues --output=assets/of3_output/p_aligned/protein_fixed.pdb" ] }, From 18ed18493da734c3e31ebd7c00ea2c1f19be9e21 Mon Sep 17 00:00:00 2001 From: IAlibay Date: Mon, 24 Nov 2025 10:55:01 +0000 Subject: [PATCH 7/7] Review comments --- cookbook/openfold3_to_openfe.ipynb | 18 +++++++++++++++--- 1 file changed, 15 insertions(+), 3 deletions(-) diff --git a/cookbook/openfold3_to_openfe.ipynb b/cookbook/openfold3_to_openfe.ipynb index 9dedb3b..706e3d3 100644 --- a/cookbook/openfold3_to_openfe.ipynb +++ b/cookbook/openfold3_to_openfe.ipynb @@ -51,9 +51,11 @@ "\n", "2. Processing the OpenFold3 output for use with OpenFE\n", "\n", - " * a) Choosing a reference protein structure\n", - " * b) Aligning & extracting the ncessary ligands & protein structures.\n", - " * c) Fixing & protonating the reference protein structure.\n", + " a) Choosing a reference protein structure\n", + "\n", + " b) Aligning & extracting the necessary ligands & protein structures.\n", + "\n", + " c) Fixing & protonating the reference protein structure.\n", "\n", "\n", "3. Loading structures into OpenFE Components\n", @@ -142,6 +144,16 @@ "We then create the JSON file that will be the OpenFold input." ] }, + { + "cell_type": "markdown", + "id": "b3f0be0c-144c-4e96-9310-a8778111291c", + "metadata": {}, + "source": [ + "
    \n", + " Note: In this example, we did not use the full FASTA sequence from UNIPROT for TYK2, but rather the sequence of the crystallographic structure.\n", + "
    " + ] + }, { "cell_type": "code", "execution_count": 3,

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