{ "cells": [ { "cell_type": "markdown", "id": "5b311c85", "metadata": {}, "source": [ "# Cookbook: Every way to make a `Molecule`" ] }, { "cell_type": "markdown", "id": "05bf5732", "metadata": {}, "source": [ "Every pathway through the OpenFF Toolkit boils down to four steps:\n", "\n", "1. Using other tools, assemble a graph of a molecule, including all of its atoms, bonds, bond orders, formal charges, and stereochemistry[^rs]\n", "2. Use that information to construct a [`Molecule`](openff.toolkit.topology.Molecule)\n", "3. Combine a number of `Molecule` objects to construct a [`Topology`](openff.toolkit.topology.Topology)\n", "4. Call [`ForceField.create_openmm_system(topology)`](openff.toolkit.typing.engines.smirnoff.ForceField.create_openmm_system) to create an OpenMM [`System`](openmm.openmm.System) (or, in the near future, an OpenFF [`Interchange`](https://github.com/openforcefield/openff-interchange) for painless conversion to all sorts of MD formats)\n", "\n", "So let's take a look at every way there is to construct a molecule! We'll use zwitterionic L-alanine as an example biomolecule with all the tricky bits - a stereocenter, non-zero formal charges, and bonds of different orders.\n", "\n", "[^rs]: Note that this stereochemistry must be defined on the *graph* of the molecule. It's not good enough to just co-ordinates with the correct stereochemistry. But if you have the co-ordinates, you can try getting the stereochemistry automatically with `rdkit` or `openeye` --- If you dare!" ] }, { "cell_type": "code", "execution_count": 1, "id": "0a3d1e21", "metadata": { "tags": [ "remove-stderr", "remove-input", "remove-stdout" ] }, "outputs": [], "source": [ "# Imports\n", "from openff.toolkit import Molecule, Topology\n", "\n", "# Hide tracebacks for simpler errors\n", "import sys\n", "ipython = get_ipython()\n", "\n", "def hide_traceback(exc_tuple=None, filename=None, tb_offset=None,\n", " exception_only=False, running_compiled_code=False):\n", " etype, value, tb = sys.exc_info()\n", " value.__cause__ = None # suppress chained exceptions\n", " return ipython._showtraceback(etype, value, ipython.InteractiveTB.get_exception_only(etype, value))\n", "\n", "ipython.showtraceback = hide_traceback\n", "\n", "# Hide NumPy warnings\n", "import warnings\n", "warnings.filterwarnings('ignore', r'The value of the smallest subnormal for ')" ] }, { "cell_type": "markdown", "id": "37d692a1", "metadata": {}, "source": [ "## From SMILES\n", "\n", "SMILES is the classic way to create a `Molecule`. SMILES is a widely-used compact textual representation of arbitrary molecules. This lets us specify an exact molecule, including stereochemistry and bond orders, very easily --- though they may not be the most human-readable format.\n", "\n", "The [`Molecule.from_smiles()`](openff.toolkit.topology.Molecule.from_smiles) method is used to create a `Molecule` from a SMILES code.\n", "\n", "### Implicit hydrogens SMILES" ] }, { "cell_type": "code", "execution_count": 2, "id": "71199513", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 2, "metadata": {}, "output_type": "execute_result" } ], "source": [ "zw_l_alanine = Molecule.from_smiles(\"C[C@H]([NH3+])C(=O)[O-]\")\n", "\n", "zw_l_alanine.visualize()" ] }, { "cell_type": "markdown", "id": "59fe1b58", "metadata": {}, "source": [ "### Explicit hydrogens SMILES" ] }, { "cell_type": "code", "execution_count": 3, "id": "07e0584e", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 3, "metadata": {}, "output_type": "execute_result" } ], "source": [ "smiles_explicit_h = Molecule.from_smiles(\n", " \"[H][C]([H])([H])[C@@]([H])([C](=[O])[O-])[N+]([H])([H])[H]\", \n", " hydrogens_are_explicit=True\n", ")\n", "\n", "assert zw_l_alanine.is_isomorphic_with(smiles_explicit_h)\n", "\n", "smiles_explicit_h.visualize()" ] }, { "cell_type": "markdown", "id": "6e1adb21", "metadata": {}, "source": [ "### Mapped SMILES\n", "\n", "By default, no guarantees are made about the indexing of atoms from a SMILES string. If the indexing is important, a mapped SMILES string may be used. In this case, Hydrogens must be explicit. Note that though mapped SMILES strings must start at index 1, Python lists start at index 0." ] }, { "cell_type": "code", "execution_count": 4, "id": "178de2c5", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 4, "metadata": {}, "output_type": "execute_result" } ], "source": [ "mapped_smiles = Molecule.from_mapped_smiles(\n", " \"[H:10][C:2]([H:7])([H:8])[C@@:4]([H:9])([C:3](=[O:5])[O-:6])[N+:1]([H:11])([H:12])[H:13]\"\n", ")\n", "\n", "assert zw_l_alanine.is_isomorphic_with(mapped_smiles)\n", "\n", "assert mapped_smiles.atoms[0].atomic_number == 7 # First index is the Nitrogen\n", "assert all([a.atomic_number==1 for a in mapped_smiles.atoms[6:]]) # Final indices are all H\n", "\n", "mapped_smiles.visualize()" ] }, { "cell_type": "markdown", "id": "6897144e", "metadata": {}, "source": [ "(smiles_no_stereochemistry)=\n", "### SMILES without stereochemistry\n", "\n", "The Toolkit won't accept an ambiguous SMILES. This SMILES could be L- or D- alanine; rather than guess, the Toolkit throws an error:" ] }, { "cell_type": "code", "execution_count": 5, "id": "ec669ad6", "metadata": { "scrolled": true, "tags": [ "raises-exception" ] }, "outputs": [ { "ename": "UndefinedStereochemistryError", "evalue": "Unable to make OFFMol from OEMol: OEMol has unspecified stereochemistry. oemol.GetTitle(): \nProblematic atoms are:\nAtom atomic num: 6, name: , idx: 1, aromatic: False, chiral: True with bonds:\nbond order: 1, chiral: False to atom atomic num: 6, name: , idx: 0, aromatic: False, chiral: False\nbond order: 1, chiral: False to atom atomic num: 7, name: , idx: 2, aromatic: False, chiral: False\nbond order: 1, chiral: False to atom atomic num: 6, name: , idx: 3, aromatic: False, chiral: False\nbond order: 1, chiral: False to atom atomic num: 1, name: , idx: 9, aromatic: False, chiral: False\n", "output_type": "error", "traceback": [ "\u001b[0;31mUndefinedStereochemistryError\u001b[0m\u001b[0;31m:\u001b[0m Unable to make OFFMol from OEMol: OEMol has unspecified stereochemistry. oemol.GetTitle(): \nProblematic atoms are:\nAtom atomic num: 6, name: , idx: 1, aromatic: False, chiral: True with bonds:\nbond order: 1, chiral: False to atom atomic num: 6, name: , idx: 0, aromatic: False, chiral: False\nbond order: 1, chiral: False to atom atomic num: 7, name: , idx: 2, aromatic: False, chiral: False\nbond order: 1, chiral: False to atom atomic num: 6, name: , idx: 3, aromatic: False, chiral: False\nbond order: 1, chiral: False to atom atomic num: 1, name: , idx: 9, aromatic: False, chiral: False\n\n" ] } ], "source": [ "smiles_non_isomeric = Molecule.from_smiles(\n", " \"CC([NH3+])C(=O)[O-]\"\n", ")" ] }, { "cell_type": "markdown", "id": "821c4687", "metadata": {}, "source": [ "We can downgrade this error to a warning with the `allow_undefined_stereo` argument. This will create a molecule with undefined stereochemistry, which might lead to incorrect parametrization or surprising conformer generation. See the [FAQ](../faq.md#im-getting-stereochemistry-errors-when-loading-a-molecule-from-a-smiles-string) for more details." ] }, { "cell_type": "code", "execution_count": 6, "id": "278e3cb1", "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ "Warning (not error because allow_undefined_stereo=True): OEMol has unspecified stereochemistry. oemol.GetTitle(): \n", "Problematic atoms are:\n", "Atom atomic num: 6, name: , idx: 1, aromatic: False, chiral: True with bonds:\n", "bond order: 1, chiral: False to atom atomic num: 6, name: , idx: 0, aromatic: False, chiral: False\n", "bond order: 1, chiral: False to atom atomic num: 7, name: , idx: 2, aromatic: False, chiral: False\n", "bond order: 1, chiral: False to atom atomic num: 6, name: , idx: 3, aromatic: False, chiral: False\n", "bond order: 1, chiral: False to atom atomic num: 1, name: , idx: 9, aromatic: False, chiral: False\n", "\n" ] }, { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 6, "metadata": {}, "output_type": "execute_result" } ], "source": [ "smiles_non_isomeric = Molecule.from_smiles(\n", " \"CC([NH3+])C(=O)[O-]\",\n", " allow_undefined_stereo=True\n", ")\n", "\n", "assert not zw_l_alanine.is_isomorphic_with(smiles_non_isomeric)\n", "\n", "smiles_non_isomeric.visualize()" ] }, { "cell_type": "markdown", "id": "da716060", "metadata": {}, "source": [ "## By hand\n", "\n", "You can always construct a `Molecule` by building it up from individual atoms and bonds. Other methods are generally easier, but it's a useful fallback for when you need to write your own constructor for an unsupported source format.\n", "\n", "The [`Molecule()`](openff.toolkit.topology.Molecule.__init__) constructor and the [`add_atom()`](openff.toolkit.topology.Molecule.add_atom) and [`add_bond()`](openff.toolkit.topology.Molecule.add_bond) methods are used to construct a `Molecule` by hand." ] }, { "cell_type": "code", "execution_count": 7, "id": "aa8746eb", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 7, "metadata": {}, "output_type": "execute_result" } ], "source": [ "by_hand = Molecule()\n", "by_hand.name = \"Zwitterionic l-Alanine\"\n", "\n", "by_hand.add_atom(\n", " atomic_number = 8, # Atomic number 8 is Oxygen\n", " formal_charge = -1, # Formal negative charge\n", " is_aromatic = False, # Atom is not part of an aromatic system\n", " stereochemistry = None, # Optional argument; \"R\" or \"S\" stereochemistry\n", " name = \"O-\" # Optional argument; descriptive name for the atom\n", ")\n", "by_hand.add_atom(6, 0, False, name=\"C\")\n", "by_hand.add_atom(8, 0, False, name=\"O\")\n", "by_hand.add_atom(6, 0, False, stereochemistry=\"S\", name=\"CA\")\n", "by_hand.add_atom(1, 0, False, name=\"CAH\")\n", "by_hand.add_atom(6, 0, False, name=\"CB\")\n", "by_hand.add_atom(1, 0, False, name=\"HB1\")\n", "by_hand.add_atom(1, 0, False, name=\"HB2\")\n", "by_hand.add_atom(1, 0, False, name=\"HB3\")\n", "by_hand.add_atom(7, +1, False, name=\"N+\")\n", "by_hand.add_atom(1, 0, False, name=\"HN1\")\n", "by_hand.add_atom(1, 0, False, name=\"HN2\")\n", "by_hand.add_atom(1, 0, False, name=\"HN3\")\n", "\n", "\n", "by_hand.add_bond( \n", " atom1 = 0, # First (zero-indexed) atom specified above (\"O-\") \n", " atom2 = 1, # Second atom specified above (\"C\")\n", " bond_order = 1, # Single bond\n", " is_aromatic = False, # Bond is not aromatic\n", " stereochemistry = None, # Optional argument; \"E\" or \"Z\" stereochemistry\n", " fractional_bond_order = None # Optional argument; Wiberg (or similar) bond order\n", ")\n", "by_hand.add_bond( 1, 2, 2, False) # C = O\n", "by_hand.add_bond( 1, 3, 1, False) # C - CA\n", "by_hand.add_bond( 3, 4, 1, False) # CA - CAH\n", "by_hand.add_bond( 3, 5, 1, False) # CA - CB\n", "by_hand.add_bond( 5, 6, 1, False) # CB - HB1\n", "by_hand.add_bond( 5, 7, 1, False) # CB - HB2\n", "by_hand.add_bond( 5, 8, 1, False) # CB - HB3\n", "by_hand.add_bond( 3, 9, 1, False) # CB - N+\n", "by_hand.add_bond( 9, 10, 1, False) # N+ - HN1\n", "by_hand.add_bond( 9, 11, 1, False) # N+ - HN2\n", "by_hand.add_bond( 9, 12, 1, False) # N+ - HN3\n", "\n", "assert zw_l_alanine.is_isomorphic_with(by_hand)\n", "\n", "by_hand.visualize()" ] }, { "cell_type": "markdown", "id": "15931dd9", "metadata": {}, "source": [ "### From a dictionary\n", "\n", "Rather than build up the `Molecule` one method at a time, the [`Molecule.from_dict()`](openff.toolkit.topology.Molecule.from_dict) method can construct a `Molecule` in one shot from a Python `dict` that describes the molecule in question. This allows `Molecule` objects to be written to and read from disk in any format that can be interpreted as a `dict`; this mechanism underlies the [`from_bson()`](openff.toolkit.topology.Molecule.from_bson), [`from_json()`](openff.toolkit.topology.Molecule.from_json), [`from_messagepack()`](openff.toolkit.topology.Molecule.from_messagepack), [`from_pickle()`](openff.toolkit.topology.Molecule.from_pickle), [`from_toml()`](openff.toolkit.topology.Molecule.from_toml), [`from_xml()`](openff.toolkit.topology.Molecule.from_xml), and [`from_yaml()`](openff.toolkit.topology.Molecule.from_yaml) methods.\n", "\n", "This format can get very verbose, as it is intended for serialization, so this example uses hydrogen cyanide rather than alanine." ] }, { "cell_type": "code", "execution_count": 8, "id": "dc756a7f", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 8, "metadata": {}, "output_type": "execute_result" } ], "source": [ "molecule_dict = {\n", " \"name\": \"\",\n", " \"atoms\": [\n", " {\n", " \"atomic_number\": 1,\n", " \"formal_charge\": 0,\n", " \"is_aromatic\": False,\n", " \"stereochemistry\": None,\n", " \"name\": \"H\",\n", " },\n", " {\n", " \"atomic_number\": 6,\n", " \"formal_charge\": 0,\n", " \"is_aromatic\": False,\n", " \"stereochemistry\": None,\n", " \"name\": \"C\",\n", " },\n", " {\n", " \"atomic_number\": 7,\n", " \"formal_charge\": 0,\n", " \"is_aromatic\": False,\n", " \"stereochemistry\": None,\n", " \"name\": \"N\",\n", " },\n", " ],\n", " \"virtual_sites\": [],\n", " \"bonds\": [\n", " {\n", " \"atom1\": 0,\n", " \"atom2\": 1,\n", " \"bond_order\": 1,\n", " \"is_aromatic\": False,\n", " \"stereochemistry\": None,\n", " \"fractional_bond_order\": None,\n", " },\n", " {\n", " \"atom1\": 1,\n", " \"atom2\": 2,\n", " \"bond_order\": 3,\n", " \"is_aromatic\": False,\n", " \"stereochemistry\": None,\n", " \"fractional_bond_order\": None,\n", " },\n", " ],\n", " \"properties\": {},\n", " \"conformers\": None,\n", " \"partial_charges\": None,\n", " \"partial_charges_unit\": None,\n", " \"hierarchy_schemes\": {},\n", "}\n", "\n", "from_dictionary = Molecule.from_dict(molecule_dict)\n", "\n", "from_dictionary.visualize()" ] }, { "cell_type": "markdown", "id": "1b50a800", "metadata": {}, "source": [ "## From a file\n", "\n", "We can construct a `Molecule` from a file or file-like object with the [`from_file()`](openff.toolkit.topology.Molecule.from_file) method. We're a bit constrained in what file formats we can accept, because they need to provide all the information needed to construct the molecular graph; not just coordinates, but also elements, formal charges, bond orders, and stereochemistry." ] }, { "cell_type": "markdown", "id": "79aec960", "metadata": {}, "source": [ "### From SDF file\n", "\n", "We generally recommend the SDF format. The SDF file used here can be found [on GitHub](https://github.com/openforcefield/openff-toolkit/blob/main/docs/users/zw_l_alanine.sdf)" ] }, { "cell_type": "code", "execution_count": 9, "id": "a78e4e0f", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 9, "metadata": {}, "output_type": "execute_result" } ], "source": [ "sdf_path = Molecule.from_file(\"zw_l_alanine.sdf\")\n", "assert zw_l_alanine.is_isomorphic_with(sdf_path)\n", "sdf_path.visualize()" ] }, { "cell_type": "markdown", "id": "3508a6ed", "metadata": {}, "source": [ "### From SDF file object\n", "\n", "`from_file()` can also take a file object, rather than a path. Note that the object must be in binary mode!" ] }, { "cell_type": "code", "execution_count": 10, "id": "1cecd71c", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 10, "metadata": {}, "output_type": "execute_result" } ], "source": [ "with open(\"zw_l_alanine.sdf\", mode=\"rb\") as file:\n", " sdf_object = Molecule.from_file(file, file_format=\"SDF\")\n", " \n", "assert zw_l_alanine.is_isomorphic_with(sdf_object)\n", "sdf_object.visualize()" ] }, { "cell_type": "markdown", "id": "2554b932", "metadata": {}, "source": [ "### From protein PDB file\n", "\n", "The [`from_polymer_pdb()`] method can interpret a protein from a PDB file as a molecule. It can infer the full chemical graph of the canonical amino acids (26 including protonation states) in capped and uncapped forms. It does this according to the [RCSB chemical component dictionary] --- the information is not explicitly in the PDB. For the moment, it's quite slow, but this is the easiest way to get a full protein into the OpenFF ecosystem:\n", "\n", "[`from_polymer_pdb()`]: openff.toolkit.topology.Molecule.from_polymer_pdb\n", "[RCSB chemical component dictionary]: https://www.wwpdb.org/data/ccd" ] }, { "cell_type": "code", "execution_count": 11, "id": "4f9d71e7", "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "f488e4964a7b4c259b486f4979b1c321", "version_major": 2, "version_minor": 0 }, "text/plain": [] }, "metadata": {}, "output_type": "display_data" }, { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "fc14a5fef52d413cb2f97591ae56ed94", "version_major": 2, "version_minor": 0 }, "text/plain": [ "NGLWidget()" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "from openff.toolkit.utils import get_data_file_path\n", "\n", "path = get_data_file_path('proteins/T4-protein.pdb')\n", "protein = Molecule.from_polymer_pdb(path)\n", "protein.visualize(\"nglview\")" ] }, { "cell_type": "markdown", "id": "02653974", "metadata": {}, "source": [ "### From small molecule PDB file\n", "\n", "Using PDB files for small molecules is not recommended, even if they have CONECT records, as they do not provide stereoisomeric information or bond orders. The RDKit backend assumes that bond orders are 1, so the toolkit refuses to use it:" ] }, { "cell_type": "code", "execution_count": 12, "id": "f199d45f", "metadata": { "tags": [ "raises-exception" ] }, "outputs": [ { "ename": "NotImplementedError", "evalue": "Toolkit The RDKit can not read file zw_l_alanine.pdb (format PDB). Supported formats for this toolkit are ['SDF', 'MOL', 'SMI'].RDKit can however read PDBs with a valid smiles string using the Molecule.from_pdb_and_smiles(file_path, smiles) constructor", "output_type": "error", "traceback": [ "\u001b[0;31mNotImplementedError\u001b[0m\u001b[0;31m:\u001b[0m Toolkit The RDKit can not read file zw_l_alanine.pdb (format PDB). Supported formats for this toolkit are ['SDF', 'MOL', 'SMI'].RDKit can however read PDBs with a valid smiles string using the Molecule.from_pdb_and_smiles(file_path, smiles) constructor\n" ] } ], "source": [ "from openff.toolkit.utils.toolkits import RDKitToolkitWrapper\n", "\n", "pdb = Molecule.from_file(\"zw_l_alanine.pdb\", \"pdb\", toolkit_registry=RDKitToolkitWrapper())" ] }, { "cell_type": "markdown", "id": "3713f85f", "metadata": {}, "source": [ "OpenEye can infer bond orders and stereochemistry from the structure. This is not recommended, as it can make mistakes that may be difficult to catch. Note also that this requires a license for OpenEye, as this is proprietary software.\n", "\n", "If we instead provide a SMILES code, a PDB file can be used to populate the `Molecule` object's `conformers` attribute and provide atom ordering, as well as check that the SMILES code matches the PDB file. This method is the recommended way to create a `Molecule` from a PDB file. The PDB file used here can be found [on GitHub](https://github.com/openforcefield/openff-toolkit/blob/main/docs/users/zw_l_alanine.pdb)\n", "\n", ":::{important}\n", "Note that the Toolkit doesn't guarantee that the coordinates in the PDB are correctly assigned to atoms. It makes an effort, but you should check that the results are reasonable.\n", ":::" ] }, { "cell_type": "code", "execution_count": 13, "id": "1d003955", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 13, "metadata": {}, "output_type": "execute_result" } ], "source": [ "pdb_with_smiles = Molecule.from_pdb_and_smiles(\n", " \"zw_l_alanine.pdb\", \n", " \"C[C@H]([NH3+])C(=O)[O-]\"\n", ") \n", "\n", "assert zw_l_alanine.is_isomorphic_with(pdb_with_smiles)\n", "\n", "pdb_with_smiles.visualize()" ] }, { "cell_type": "markdown", "id": "cbdde2f3", "metadata": {}, "source": [ "## Other string identification formats\n", "\n", "The OpenFF Toolkit supports a few text based molecular identity formats other than SMILES ([see above](#from-smiles))" ] }, { "cell_type": "markdown", "id": "bcd5fce1", "metadata": {}, "source": [ "### From InChI\n", "\n", "The [`Molecule.from_inchi()`](openff.toolkit.topology.Molecule.from_inchi) method constructs a `Molecule` from an IUPAC [InChI](https://iupac.org/who-we-are/divisions/division-details/inchi/) string. Note that InChI cannot distinguish the zwitterionic form of alanine from the neutral form (see section 13.2 of the [InChI Technical FAQ](https://www.inchi-trust.org/technical-faq-2/)), so the toolkit defaults to the neutral form.\n", "\n", ":::{warning}\n", "The OpenFF Toolkit makes no guarantees about the atomic ordering produced by the `from_inchi` method. InChI is not intended to be an interchange format.\n", ":::" ] }, { "cell_type": "code", "execution_count": 14, "id": "1ea7bb81", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 14, "metadata": {}, "output_type": "execute_result" } ], "source": [ "inchi = Molecule.from_inchi(\"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1\") \n", "\n", "inchi.visualize()" ] }, { "cell_type": "markdown", "id": "93592822", "metadata": {}, "source": [ "### From IUPAC name\n", "\n", "The [`Molecule.from_iupac()`](openff.toolkit.topology.Molecule.from_iupac) method constructs a `Molecule` from an IUPAC name.\n", "\n", ":::{important}\n", "This code requires the OpenEye toolkit.\n", ":::" ] }, { "cell_type": "code", "execution_count": 15, "id": "839994a0", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 15, "metadata": {}, "output_type": "execute_result" } ], "source": [ "iupac = Molecule.from_iupac(\"(2S)-2-azaniumylpropanoate\")\n", "\n", "assert zw_l_alanine.is_isomorphic_with(iupac)\n", "\n", "iupac.visualize()" ] }, { "cell_type": "markdown", "id": "14d8a068", "metadata": {}, "source": [ "## Re-ordering atoms in an existing `Molecule`\n", "\n", "Most `Molecule` creation methods don't specify the ordering of atoms in the new `Molecule`. The [`Molecule.remap()`](openff.toolkit.topology.Molecule.remap) method allows a new ordering to be applied to an existing `Molecule`.\n", "\n", "See also [](#mapped-smiles).\n", "\n", ":::{warning}\n", "The `Molecule.remap()` method is experimental and subject to change. \n", ":::" ] }, { "cell_type": "code", "execution_count": 16, "id": "c9a343c2", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "Before remapping: [H:3][C@@:2]([C:5](=[O:6])[O-:7])([C:1]([H:8])([H:9])[H:10])[N+:4]([H:11])([H:12])[H:13]\n", "After remapping: [H:3][C@@:2]([C:4](=[O:6])[O-:7])([C:1]([H:8])([H:9])[H:10])[N+:5]([H:11])([H:12])[H:13]\n" ] }, { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 16, "metadata": {}, "output_type": "execute_result" } ], "source": [ "# Note that this mapping is off-by-one from the mapping taken \n", "# by the remap method, as Python indexing is 0-based but SMILES\n", "# is 1-based\n", "print(\"Before remapping:\", zw_l_alanine.to_smiles(mapped=True))\n", "\n", "# Flip the order of the carbonyl carbon and oxygen\n", "remapped = zw_l_alanine.remap({0: 0,1: 1, 2: 2, 3: 4, 4: 3, 5: 5, 6: 6, 7: 7, 8: 8, 9: 9, 10: 10, 11: 11, 12: 12})\n", "# ^--------^ \n", "\n", "print(\"After remapping: \", remapped.to_smiles(mapped=True))\n", "\n", "# Doesn't affect the identity of the molecule\n", "assert zw_l_alanine.is_isomorphic_with(remapped)\n", "remapped.visualize()" ] }, { "cell_type": "markdown", "id": "d5e4330a", "metadata": {}, "source": [ "## Via `Topology` objects\n", "\n", "The [`Topology`](openff.toolkit.topology.Topology) class represents a biomolecular system; it is analogous to the similarly named objects in GROMACS, MDTraj or OpenMM. Notably, it does not include co-ordinates and may represent multiple copies of a particular molecular species or even more complex mixtures of molecules. `Topology` objects are usually built up one species at a time from `Molecule` objects.\n", "\n", "`Molecule` objects can be retrieved from a `Topology` via the [`Topology.molecule()`](openff.toolkit.topology.Topology.molecule) method by providing the index of the molecule within the topology. For a topology consisting of a single molecule, this is just `topology.molecule(0)`.\n", "\n", "Constructor methods that are available for `Topology` but not `Molecule` generally require a `Molecule` to be provided via the `unique_molecules` keyword argument. The provided `Molecule` is used to provide the identity of the molecule, including aromaticity, bond orders, formal charges, and so forth. These methods therefore don't provide a route to the graph of the molecule, but can be useful for reordering atoms to match another software package." ] }, { "cell_type": "markdown", "id": "95eab062", "metadata": {}, "source": [ "### From an OpenMM `Topology`\n", "\n", "The [`Topology.from_openmm()`](openff.toolkit.topology.Topology.from_openmm) method constructs an OpenFF `Topology` from an OpenMM [`Topology`](openmm.app.topology.Topology). The method requires that all the unique molecules in the `Topology` are provided as OpenFF `Molecule` objects, as the structure of an OpenMM `Topology` doesn't include the concept of a molecule. When using this method to create a `Molecule`, this limitation means that the method really only offers a pathway to reorder the atoms of a `Molecule` to match that of the OpenMM `Topology`." ] }, { "cell_type": "code", "execution_count": 17, "id": "40645664", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 17, "metadata": {}, "output_type": "execute_result" } ], "source": [ "from openmm.app.pdbfile import PDBFile\n", "\n", "openmm_topology = PDBFile('zw_l_alanine.pdb').getTopology()\n", "openff_topology = Topology.from_openmm(openmm_topology, unique_molecules=[zw_l_alanine])\n", "\n", "from_openmm_topology = openff_topology.molecule(0)\n", "\n", "assert zw_l_alanine.is_isomorphic_with(from_openmm_topology)\n", "\n", "from_openmm_topology.visualize()" ] }, { "cell_type": "markdown", "id": "39e06787", "metadata": {}, "source": [ "### From an MDTraj `Topology`\n", "\n", "The [`Topology.from_mdtraj()`](openff.toolkit.topology.Topology.from_mdtraj) method constructs an OpenFF `Topology` from an MDTraj [`Topology`](mdtraj.Topology). The method requires that all the unique molecules in the `Topology` are provided as OpenFF `Molecule` objects to ensure that the graph of the molecule is correct. When using this method to create a `Molecule`, this limitation means that the method really only offers a pathway to reorder the atoms of a `Molecule` to match that of the MDTraj `Topology`." ] }, { "cell_type": "code", "execution_count": 18, "id": "68ee9ed2", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 18, "metadata": {}, "output_type": "execute_result" } ], "source": [ "from mdtraj import load_pdb\n", "\n", "mdtraj_topology = load_pdb('zw_l_alanine.pdb').topology\n", "openff_topology = Topology.from_openmm(openmm_topology, unique_molecules=[zw_l_alanine])\n", "\n", "from_mdtraj_topology = openff_topology.molecule(0)\n", "\n", "assert zw_l_alanine.is_isomorphic_with(from_mdtraj_topology)\n", "\n", "from_mdtraj_topology.visualize()" ] }, { "cell_type": "markdown", "id": "29c39bd1", "metadata": {}, "source": [ "## From Toolkit objects\n", "\n", "The OpenFF Toolkit calls out to other software to perform low-level tasks like reading SMILES or files. These external software packages are called toolkits, and presently include [RDKit](https://www.rdkit.org/) and the [OpenEye Toolkit](https://www.eyesopen.com/toolkit-development). OpenFF `Molecule` objects can be created from the equivalent objects in these toolkits." ] }, { "cell_type": "markdown", "id": "c6f2af84", "metadata": {}, "source": [ "### From RDKit `Mol`\n", "\n", "The [`Molecule.from_rdkit()`](openff.toolkit.topology.Molecule.from_rdkit) method converts an [`rdkit.Chem.rdchem.Mol`](rdkit.Chem.rdchem.Mol) object to an OpenFF `Molecule`." ] }, { "cell_type": "code", "execution_count": 19, "id": "fae232e6", "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "rdmol is of type \n" ] }, { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 19, "metadata": {}, "output_type": "execute_result" } ], "source": [ "from rdkit import Chem\n", "rdmol = Chem.MolFromSmiles(\"C[C@H]([NH3+])C([O-])=O\")\n", "\n", "print(\"rdmol is of type\", type(rdmol))\n", "\n", "from_rdmol = Molecule.from_rdkit(rdmol)\n", "\n", "assert zw_l_alanine.is_isomorphic_with(from_rdmol)\n", "from_rdmol.visualize()" ] }, { "cell_type": "markdown", "id": "6fe44fac", "metadata": {}, "source": [ "### From OpenEye `OEMol`\n", "\n", "The [`Molecule.from_openeye()`](openff.toolkit.topology.Molecule.from_rdkit) method converts an object that inherits from [`openeye.oechem.OEMolBase`](https://docs.eyesopen.com/toolkits/python/oechemtk/OEChemClasses/OEMolBase.html) to an OpenFF `Molecule`." ] }, { "cell_type": "code", "execution_count": 20, "id": "c186257f", "metadata": {}, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 20, "metadata": {}, "output_type": "execute_result" } ], "source": [ "from openeye import oechem\n", "\n", "oemol = oechem.OEGraphMol()\n", "oechem.OESmilesToMol(oemol, \"C[C@H]([NH3+])C([O-])=O\")\n", "\n", "assert isinstance(oemol, oechem.OEMolBase)\n", "\n", "from_oemol = Molecule.from_openeye(oemol)\n", "\n", "assert zw_l_alanine.is_isomorphic_with(from_oemol)\n", "from_oemol.visualize()" ] }, { "cell_type": "markdown", "id": "15765778", "metadata": {}, "source": [ "## From QCArchive\n", "\n", "[QCArchive](https://qcarchive.molssi.org/) is a repository of quantum chemical calculations on small molecules. The [`Molecule.from_qcschema()`](openff.toolkit.topology.Molecule.from_qcschema) method creates a `Molecule` from a record from the archive. Because the identity of a molecule can change of the course of a QC calculation, the Toolkit accepts records only if they contain a hydrogen-mapped SMILES code.\n", "\n", ":::{note}\n", "These examples use molecules other than l-Alanine because of their availability in QCArchive\n", ":::" ] }, { "cell_type": "markdown", "id": "0f143a62", "metadata": {}, "source": [ "### From a QCArchive molecule record\n", "\n", "The [`Molecule.from_qcschema()`](openff.toolkit.topology.Molecule.from_qcschema) method can take a molecule record queried from the QCArchive and create a `Molecule` from it." ] }, { "cell_type": "code", "execution_count": 25, "id": "8e026b0f", "metadata": { "tags": [] }, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 25, "metadata": {}, "output_type": "execute_result" } ], "source": [ "from qcportal import FractalClient\n", "\n", "client = FractalClient()\n", "query = client.query_molecules(molecular_formula=\"C7H12N2O4\")\n", "\n", "from_qcarchive = Molecule.from_qcschema(query[0])\n", " \n", "from_qcarchive.visualize()" ] }, { "cell_type": "markdown", "id": "3f1991fb", "metadata": {}, "source": [ "### From a QCArchive optimisation record\n", "\n", "`Molecule.from_qcschema()` can also take an optimisation record and create the corresponding `Molecule`." ] }, { "cell_type": "code", "execution_count": 24, "id": "edd1fa9e", "metadata": { "tags": [] }, "outputs": [ { "data": { "image/svg+xml": [ "\n", "\n", " \n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "\n", "" ], "text/plain": [ "" ] }, "execution_count": 24, "metadata": {}, "output_type": "execute_result" } ], "source": [ "optimization_dataset = client.get_collection(\n", " \"OptimizationDataset\",\n", " \"SMIRNOFF Coverage Set 1\"\n", ")\n", "dimethoxymethanol_optimization = optimization_dataset.get_entry('coc(o)oc-0')\n", "\n", "from_optimisation = Molecule.from_qcschema(dimethoxymethanol_optimization)\n", "\n", "from_optimisation.visualize()" ] }, { "cell_type": "code", "execution_count": null, "id": "2a8f5a61-892b-43e1-898e-40deec4d39b9", "metadata": {}, "outputs": [], "source": [] } ], "metadata": { "celltoolbar": "Tags", "execution": { "timeout": 120 }, "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": 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\nATOM 4 H3 MET A 0 34.270 11.280 45.050 1.00 20.00 \nATOM 5 CA MET A 0 33.550 11.970 43.200 1.00 20.00 \nATOM 6 HA MET A 0 34.090 12.890 43.410 1.00 20.00 \nATOM 7 CB MET A 0 34.550 11.390 42.270 1.00 20.00 \nATOM 8 HB2 MET A 0 35.470 11.330 42.850 1.00 20.00 \nATOM 9 HB3 MET A 0 34.320 10.370 41.960 1.00 20.00 \nATOM 10 CG MET A 0 34.730 12.320 41.020 1.00 20.00 \nATOM 11 HG2 MET A 0 35.430 11.840 40.340 1.00 20.00 \nATOM 12 HG3 MET A 0 33.720 12.350 40.620 1.00 20.00 \nATOM 13 SD MET A 0 35.270 14.050 41.300 1.00 20.00 \nATOM 14 CE MET A 0 37.050 13.800 41.760 1.00 20.00 \nATOM 15 HE1 MET A 0 37.170 13.650 42.830 1.00 20.00 \nATOM 16 HE2 MET A 0 37.500 12.990 41.190 1.00 20.00 \nATOM 17 HE3 MET A 0 37.570 14.740 41.600 1.00 20.00 \nATOM 18 C MET A 0 32.100 12.250 42.660 1.00 20.00 \nATOM 19 O MET A 0 31.370 11.320 42.330 1.00 20.00 \nATOM 20 N ASN A 1 31.740 13.550 42.670 1.00 20.00 \nATOM 21 H ASN A 1 32.490 14.160 42.970 1.00 20.00 \nATOM 22 CA ASN A 1 30.410 14.180 42.580 1.00 20.00 \nATOM 23 HA ASN A 1 29.790 13.840 41.750 1.00 20.00 \nATOM 24 CB ASN A 1 29.680 13.970 43.910 1.00 20.00 \nATOM 25 HB2 ASN A 1 28.610 14.090 43.760 1.00 20.00 \nATOM 26 HB3 ASN A 1 29.880 13.020 44.410 1.00 20.00 \nATOM 27 CG ASN A 1 29.930 15.080 44.920 1.00 20.00 \nATOM 28 OD1 ASN A 1 29.060 15.930 45.070 1.00 20.00 \nATOM 29 ND2 ASN A 1 31.150 15.160 45.390 1.00 20.00 \nATOM 30 HD21 ASN A 1 31.300 15.760 46.190 1.00 20.00 \nATOM 31 HD22 ASN A 1 31.650 14.290 45.430 1.00 20.00 \nATOM 32 C ASN A 1 30.780 15.680 42.230 1.00 20.00 \nATOM 33 O ASN A 1 31.920 16.150 42.060 1.00 20.00 \nATOM 34 N ILE A 2 29.720 16.460 42.300 1.00 20.00 \nATOM 35 H ILE A 2 28.800 16.060 42.360 1.00 20.00 \nATOM 36 CA ILE A 2 29.730 17.900 41.850 1.00 20.00 \nATOM 37 HA ILE A 2 30.200 17.910 40.870 1.00 20.00 \nATOM 38 CB ILE A 2 28.260 18.480 41.650 1.00 20.00 \nATOM 39 HB ILE A 2 27.860 17.810 40.890 1.00 20.00 \nATOM 40 CG2 ILE A 2 27.360 18.350 42.860 1.00 20.00 \nATOM 41 HG21 ILE A 2 27.350 17.300 43.160 1.00 20.00 \nATOM 42 HG22 ILE A 2 27.750 18.700 43.820 1.00 20.00 \nATOM 43 HG23 ILE A 2 26.300 18.550 42.690 1.00 20.00 \nATOM 44 CG1 ILE A 2 28.160 19.910 41.010 1.00 20.00 \nATOM 45 HG12 ILE A 2 27.090 20.130 40.980 1.00 20.00 \nATOM 46 HG13 ILE A 2 28.570 20.690 41.660 1.00 20.00 \nATOM 47 CD1 ILE A 2 28.700 20.080 39.610 1.00 20.00 \nATOM 48 HD11 ILE A 2 28.240 19.360 38.930 1.00 20.00 \nATOM 49 HD12 ILE A 2 28.450 21.060 39.190 1.00 20.00 \nATOM 50 HD13 ILE A 2 29.790 20.070 39.700 1.00 20.00 \nATOM 51 C ILE A 2 30.590 18.740 42.830 1.00 20.00 \nATOM 52 O ILE A 2 31.410 19.490 42.430 1.00 20.00 \nATOM 53 N PHE A 3 30.450 18.570 44.170 1.00 20.00 \nATOM 54 H PHE A 3 29.690 18.010 44.530 1.00 20.00 \nATOM 55 CA PHE A 3 31.220 19.340 45.140 1.00 20.00 \nATOM 56 HA PHE A 3 31.230 20.350 44.730 1.00 20.00 \nATOM 57 CB PHE A 3 30.520 19.320 46.560 1.00 20.00 \nATOM 58 HB2 PHE A 3 30.590 18.330 47.000 1.00 20.00 \nATOM 59 HB3 PHE A 3 31.140 20.030 47.090 1.00 20.00 \nATOM 60 CG PHE A 3 29.080 19.800 46.590 1.00 20.00 \nATOM 61 CD1 PHE A 3 28.040 18.900 46.670 1.00 20.00 \nATOM 62 HD1 PHE A 3 28.220 17.840 46.740 1.00 20.00 \nATOM 63 CE1 PHE A 3 26.740 19.350 46.530 1.00 20.00 \nATOM 64 HE1 PHE A 3 26.010 18.560 46.410 1.00 20.00 \nATOM 65 CZ PHE A 3 26.380 20.660 46.390 1.00 20.00 \nATOM 66 HZ PHE A 3 25.410 21.130 46.280 1.00 20.00 \nATOM 67 CE2 PHE A 3 27.430 21.680 46.360 1.00 20.00 \nATOM 68 HE2 PHE A 3 27.240 22.740 46.260 1.00 20.00 \nATOM 69 CD2 PHE A 3 28.750 21.160 46.580 1.00 20.00 \nATOM 70 HD2 PHE A 3 29.570 21.830 46.410 1.00 20.00 \nATOM 71 C PHE A 3 32.670 18.990 45.190 1.00 20.00 \nATOM 72 O PHE A 3 33.390 19.720 45.880 1.00 20.00 \nATOM 73 N GLU A 4 33.110 17.900 44.440 1.00 20.00 \nATOM 74 H GLU A 4 32.360 17.420 43.960 1.00 20.00 \nATOM 75 CA GLU A 4 34.560 17.750 44.060 1.00 20.00 \nATOM 76 HA GLU A 4 35.120 18.220 44.880 1.00 20.00 \nATOM 77 CB GLU A 4 34.920 16.310 43.940 1.00 20.00 \nATOM 78 HB2 GLU A 4 34.170 15.810 43.330 1.00 20.00 \nATOM 79 HB3 GLU A 4 35.920 16.260 43.490 1.00 20.00 \nATOM 80 CG GLU A 4 35.060 15.660 45.370 1.00 20.00 \nATOM 81 HG2 GLU A 4 36.090 15.700 45.740 1.00 20.00 \nATOM 82 HG3 GLU A 4 34.420 16.080 46.130 1.00 20.00 \nATOM 83 CD GLU A 4 34.660 14.150 45.330 1.00 20.00 \nATOM 84 OE1 GLU A 4 33.470 13.710 45.590 1.00 20.00 \nATOM 85 OE2 GLU A 4 35.560 13.300 45.070 1.00 20.00 \nATOM 86 C GLU A 4 35.010 18.410 42.740 1.00 20.00 \nATOM 87 O GLU A 4 35.990 19.120 42.700 1.00 20.00 \nATOM 88 N MET A 5 34.190 18.210 41.700 1.00 20.00 \nATOM 89 H MET A 5 33.400 17.600 41.830 1.00 20.00 \nATOM 90 CA MET A 5 34.490 18.890 40.390 1.00 20.00 \nATOM 91 HA MET A 5 35.410 18.450 40.000 1.00 20.00 \nATOM 92 CB MET A 5 33.270 18.370 39.480 1.00 20.00 \nATOM 93 HB2 MET A 5 33.110 17.310 39.670 1.00 20.00 \nATOM 94 HB3 MET A 5 32.380 18.920 39.810 1.00 20.00 \nATOM 95 CG MET A 5 33.440 18.630 37.990 1.00 20.00 \nATOM 96 HG2 MET A 5 34.030 19.530 37.850 1.00 20.00 \nATOM 97 HG3 MET A 5 34.150 17.920 37.580 1.00 20.00 \nATOM 98 SD MET A 5 32.010 18.760 36.850 1.00 20.00 \nATOM 99 CE MET A 5 32.810 18.210 35.270 1.00 20.00 \nATOM 100 HE1 MET A 5 33.440 17.360 35.550 1.00 20.00 \nATOM 101 HE2 MET A 5 31.990 17.850 34.650 1.00 20.00 \nATOM 102 HE3 MET A 5 33.350 19.010 34.750 1.00 20.00 \nATOM 103 C MET A 5 34.730 20.400 40.380 1.00 20.00 \nATOM 104 O MET A 5 35.730 20.780 39.860 1.00 20.00 \nATOM 105 N LEU A 6 33.880 21.170 41.010 1.00 20.00 \nATOM 106 H LEU A 6 33.010 20.770 41.340 1.00 20.00 \nATOM 107 CA LEU A 6 33.980 22.640 41.170 1.00 20.00 \nATOM 108 HA LEU A 6 34.200 23.060 40.190 1.00 20.00 \nATOM 109 CB LEU A 6 32.730 23.190 41.680 1.00 20.00 \nATOM 110 HB2 LEU A 6 32.590 22.870 42.710 1.00 20.00 \nATOM 111 HB3 LEU A 6 32.810 24.270 41.630 1.00 20.00 \nATOM 112 CG LEU A 6 31.450 22.810 40.830 1.00 20.00 \nATOM 113 HG LEU A 6 31.390 21.740 40.650 1.00 20.00 \nATOM 114 CD1 LEU A 6 30.140 23.260 41.540 1.00 20.00 \nATOM 115 HD11 LEU A 6 30.070 24.350 41.510 1.00 20.00 \nATOM 116 HD12 LEU A 6 29.300 22.790 41.030 1.00 20.00 \nATOM 117 HD13 LEU A 6 30.240 22.890 42.560 1.00 20.00 \nATOM 118 CD2 LEU A 6 31.440 23.320 39.400 1.00 20.00 \nATOM 119 HD21 LEU A 6 32.410 23.110 38.930 1.00 20.00 \nATOM 120 HD22 LEU A 6 30.600 22.850 38.880 1.00 20.00 \nATOM 121 HD23 LEU A 6 31.190 24.380 39.340 1.00 20.00 \nATOM 122 C LEU A 6 35.120 23.000 42.190 1.00 20.00 \nATOM 123 O LEU A 6 35.920 23.900 41.960 1.00 20.00 \nATOM 124 N ARG A 7 35.330 22.150 43.200 1.00 20.00 \nATOM 125 H ARG A 7 34.760 21.320 43.310 1.00 20.00 \nATOM 126 CA ARG A 7 36.360 22.420 44.180 1.00 20.00 \nATOM 127 HA ARG A 7 36.400 23.490 44.370 1.00 20.00 \nATOM 128 CB ARG A 7 35.920 21.650 45.480 1.00 20.00 \nATOM 129 HB2 ARG A 7 34.960 22.080 45.770 1.00 20.00 \nATOM 130 HB3 ARG A 7 35.860 20.580 45.290 1.00 20.00 \nATOM 131 CG ARG A 7 36.910 21.860 46.640 1.00 20.00 \nATOM 132 HG2 ARG A 7 37.840 21.670 46.090 1.00 20.00 \nATOM 133 HG3 ARG A 7 37.030 22.900 46.970 1.00 20.00 \nATOM 134 CD ARG A 7 36.740 20.780 47.800 1.00 20.00 \nATOM 135 HD2 ARG A 7 37.010 19.890 47.230 1.00 20.00 \nATOM 136 HD3 ARG A 7 37.500 20.820 48.580 1.00 20.00 \nATOM 137 NE ARG A 7 35.420 20.500 48.330 1.00 20.00 \nATOM 138 HE ARG A 7 34.770 20.050 47.710 1.00 20.00 \nATOM 139 CZ ARG A 7 34.960 20.890 49.470 1.00 20.00 \nATOM 140 NH1 ARG A 7 35.590 21.650 50.290 1.00 20.00 \nATOM 141 HH11 ARG A 7 36.510 22.050 50.160 1.00 20.00 \nATOM 142 HH12 ARG A 7 35.040 21.850 51.110 1.00 20.00 \nATOM 143 NH2 ARG A 7 33.700 20.620 49.790 1.00 20.00 \nATOM 144 HH21 ARG A 7 33.130 19.950 49.280 1.00 20.00 \nATOM 145 HH22 ARG A 7 33.350 20.910 50.690 1.00 20.00 \nATOM 146 C ARG A 7 37.790 22.100 43.640 1.00 20.00 \nATOM 147 O ARG A 7 38.740 22.830 44.010 1.00 20.00 \nATOM 148 N ILE A 8 37.950 21.190 42.680 1.00 20.00 \nATOM 149 H ILE A 8 37.210 20.530 42.520 1.00 20.00 \nATOM 150 CA ILE A 8 39.140 21.080 41.830 1.00 20.00 \nATOM 151 HA ILE A 8 40.050 21.160 42.430 1.00 20.00 \nATOM 152 CB ILE A 8 39.160 19.680 41.200 1.00 20.00 \nATOM 153 HB ILE A 8 38.240 19.320 40.740 1.00 20.00 \nATOM 154 CG2 ILE A 8 40.260 19.580 40.090 1.00 20.00 \nATOM 155 HG21 ILE A 8 41.180 19.890 40.590 1.00 20.00 \nATOM 156 HG22 ILE A 8 40.510 18.600 39.660 1.00 20.00 \nATOM 157 HG23 ILE A 8 40.150 20.330 39.310 1.00 20.00 \nATOM 158 CG1 ILE A 8 39.480 18.610 42.320 1.00 20.00 \nATOM 159 HG12 ILE A 8 40.530 18.700 42.610 1.00 20.00 \nATOM 160 HG13 ILE A 8 38.870 18.850 43.190 1.00 20.00 \nATOM 161 CD1 ILE A 8 39.300 17.130 42.020 1.00 20.00 \nATOM 162 HD11 ILE A 8 40.010 16.660 42.700 1.00 20.00 \nATOM 163 HD12 ILE A 8 38.250 16.900 42.160 1.00 20.00 \nATOM 164 HD13 ILE A 8 39.590 16.880 40.990 1.00 20.00 \nATOM 165 C ILE A 8 39.220 22.270 40.820 1.00 20.00 \nATOM 166 O ILE A 8 40.360 22.830 40.690 1.00 20.00 \nATOM 167 N ASP A 9 38.160 22.740 40.210 1.00 20.00 \nATOM 168 H ASP A 9 37.280 22.250 40.320 1.00 20.00 \nATOM 169 CA ASP A 9 38.320 23.820 39.170 1.00 20.00 \nATOM 170 HA ASP A 9 39.220 23.540 38.630 1.00 20.00 \nATOM 171 CB ASP A 9 37.110 23.880 38.170 1.00 20.00 \nATOM 172 HB2 ASP A 9 36.270 24.010 38.850 1.00 20.00 \nATOM 173 HB3 ASP A 9 37.150 24.710 37.470 1.00 20.00 \nATOM 174 CG ASP A 9 36.960 22.620 37.320 1.00 20.00 \nATOM 175 OD1 ASP A 9 37.950 22.130 36.800 1.00 20.00 \nATOM 176 OD2 ASP A 9 35.770 22.180 37.100 1.00 20.00 \nATOM 177 C ASP A 9 38.530 25.280 39.740 1.00 20.00 \nATOM 178 O ASP A 9 39.020 26.220 39.030 1.00 20.00 \nATOM 179 N GLU A 10 38.290 25.440 41.010 1.00 20.00 \nATOM 180 H GLU A 10 37.790 24.660 41.410 1.00 20.00 \nATOM 181 CA GLU A 10 38.370 26.740 41.750 1.00 20.00 \nATOM 182 HA GLU A 10 38.810 27.480 41.070 1.00 20.00 \nATOM 183 CB GLU A 10 36.950 27.110 42.190 1.00 20.00 \nATOM 184 HB2 GLU A 10 36.500 26.280 42.730 1.00 20.00 \nATOM 185 HB3 GLU A 10 37.020 28.010 42.810 1.00 20.00 \nATOM 186 CG GLU A 10 35.950 27.390 41.010 1.00 20.00 \nATOM 187 HG2 GLU A 10 35.820 26.540 40.340 1.00 20.00 \nATOM 188 HG3 GLU A 10 34.960 27.500 41.450 1.00 20.00 \nATOM 189 CD GLU A 10 36.370 28.620 40.170 1.00 20.00 \nATOM 190 OE1 GLU A 10 35.720 28.790 39.100 1.00 20.00 \nATOM 191 OE2 GLU A 10 37.380 29.280 40.460 1.00 20.00 \nATOM 192 C GLU A 10 39.290 26.720 42.960 1.00 20.00 \nATOM 193 O GLU A 10 39.970 27.690 43.190 1.00 20.00 \nATOM 194 N GLY A 11 39.320 25.600 43.660 1.00 20.00 \nATOM 195 H GLY A 11 38.670 24.910 43.340 1.00 20.00 \nATOM 196 CA GLY A 11 39.910 25.590 45.050 1.00 20.00 \nATOM 197 HA2 GLY A 11 39.970 24.560 45.380 1.00 20.00 \nATOM 198 HA3 GLY A 11 40.920 26.000 44.990 1.00 20.00 \nATOM 199 C GLY A 11 39.190 26.460 46.050 1.00 20.00 \nATOM 200 O GLY A 11 38.110 27.000 45.790 1.00 20.00 \nATOM 201 N LEU A 12 39.810 26.640 47.230 1.00 20.00 \nATOM 202 H LEU A 12 40.510 25.940 47.440 1.00 20.00 \nATOM 203 CA LEU A 12 39.310 27.470 48.310 1.00 20.00 \nATOM 204 HA LEU A 12 38.250 27.690 48.150 1.00 20.00 \nATOM 205 CB LEU A 12 39.600 26.720 49.640 1.00 20.00 \nATOM 206 HB2 LEU A 12 39.280 25.680 49.570 1.00 20.00 \nATOM 207 HB3 LEU A 12 40.680 26.780 49.800 1.00 20.00 \nATOM 208 CG LEU A 12 38.920 27.430 50.890 1.00 20.00 \nATOM 209 HG LEU A 12 39.380 28.420 50.980 1.00 20.00 \nATOM 210 CD1 LEU A 12 37.480 27.620 50.840 1.00 20.00 \nATOM 211 HD11 LEU A 12 37.050 26.620 50.790 1.00 20.00 \nATOM 212 HD12 LEU A 12 37.140 28.010 51.800 1.00 20.00 \nATOM 213 HD13 LEU A 12 37.030 28.260 50.080 1.00 20.00 \nATOM 214 CD2 LEU A 12 39.150 26.480 52.070 1.00 20.00 \nATOM 215 HD21 LEU A 12 38.640 25.530 51.900 1.00 20.00 \nATOM 216 HD22 LEU A 12 40.220 26.320 52.210 1.00 20.00 \nATOM 217 HD23 LEU A 12 38.710 26.890 52.980 1.00 20.00 \nATOM 218 C LEU A 12 40.170 28.800 48.370 1.00 20.00 \nATOM 219 O LEU A 12 41.370 28.760 48.500 1.00 20.00 \nATOM 220 N ARG A 13 39.470 29.960 48.290 1.00 20.00 \nATOM 221 H ARG A 13 38.560 29.860 47.870 1.00 20.00 \nATOM 222 CA ARG A 13 40.020 31.300 48.510 1.00 20.00 \nATOM 223 HA ARG A 13 41.020 31.160 48.930 1.00 20.00 \nATOM 224 CB ARG A 13 40.180 32.070 47.170 1.00 20.00 \nATOM 225 HB2 ARG A 13 39.240 31.960 46.630 1.00 20.00 \nATOM 226 HB3 ARG A 13 40.280 33.130 47.400 1.00 20.00 \nATOM 227 CG ARG A 13 41.400 31.580 46.450 1.00 20.00 \nATOM 228 HG2 ARG A 13 42.310 31.670 47.050 1.00 20.00 \nATOM 229 HG3 ARG A 13 41.290 30.500 46.340 1.00 20.00 \nATOM 230 CD ARG A 13 41.510 32.350 45.150 1.00 20.00 \nATOM 231 HD2 ARG A 13 41.060 33.330 45.290 1.00 20.00 \nATOM 232 HD3 ARG A 13 42.540 32.550 44.830 1.00 20.00 \nATOM 233 NE ARG A 13 40.690 31.580 44.160 1.00 20.00 \nATOM 234 HE ARG A 13 39.830 31.150 44.490 1.00 20.00 \nATOM 235 CZ ARG A 13 40.990 31.210 42.930 1.00 20.00 \nATOM 236 NH1 ARG A 13 42.020 31.670 42.290 1.00 20.00 \nATOM 237 HH11 ARG A 13 42.590 32.380 42.740 1.00 20.00 \nATOM 238 HH12 ARG A 13 42.170 31.310 41.360 1.00 20.00 \nATOM 239 NH2 ARG A 13 40.120 30.340 42.340 1.00 20.00 \nATOM 240 HH21 ARG A 13 39.380 29.840 42.810 1.00 20.00 \nATOM 241 HH22 ARG A 13 40.180 30.170 41.340 1.00 20.00 \nATOM 242 C ARG A 13 39.190 32.130 49.530 1.00 20.00 \nATOM 243 O ARG A 13 38.120 32.600 49.210 1.00 20.00 \nATOM 244 N LEU A 14 39.720 32.240 50.780 1.00 20.00 \nATOM 245 H LEU A 14 40.560 31.680 50.890 1.00 20.00 \nATOM 246 CA LEU A 14 39.070 32.860 51.950 1.00 20.00 \nATOM 247 HA LEU A 14 37.980 32.760 51.920 1.00 20.00 \nATOM 248 CB LEU A 14 39.540 32.160 53.270 1.00 20.00 \nATOM 249 HB2 LEU A 14 40.630 32.200 53.290 1.00 20.00 \nATOM 250 HB3 LEU A 14 39.210 32.690 54.170 1.00 20.00 \nATOM 251 CG LEU A 14 39.160 30.640 53.470 1.00 20.00 \nATOM 252 HG LEU A 14 39.550 29.970 52.700 1.00 20.00 \nATOM 253 CD1 LEU A 14 39.750 30.250 54.790 1.00 20.00 \nATOM 254 HD11 LEU A 14 39.510 29.190 54.910 1.00 20.00 \nATOM 255 HD12 LEU A 14 40.830 30.330 54.710 1.00 20.00 \nATOM 256 HD13 LEU A 14 39.400 30.770 55.680 1.00 20.00 \nATOM 257 CD2 LEU A 14 37.650 30.510 53.540 1.00 20.00 \nATOM 258 HD21 LEU A 14 37.260 31.320 54.160 1.00 20.00 \nATOM 259 HD22 LEU A 14 37.240 30.370 52.540 1.00 20.00 \nATOM 260 HD23 LEU A 14 37.400 29.570 54.030 1.00 20.00 \nATOM 261 C LEU A 14 39.180 34.370 52.050 1.00 20.00 \nATOM 262 O LEU A 14 38.430 34.950 52.850 1.00 20.00 \nATOM 263 N LYS A 15 40.000 35.030 51.140 1.00 20.00 \nATOM 264 H LYS A 15 40.530 34.530 50.430 1.00 20.00 \nATOM 265 CA LYS A 15 40.090 36.530 51.070 1.00 20.00 \nATOM 266 HA LYS A 15 39.390 36.980 51.770 1.00 20.00 \nATOM 267 CB LYS A 15 41.550 36.860 51.560 1.00 20.00 \nATOM 268 HB2 LYS A 15 41.670 36.400 52.550 1.00 20.00 \nATOM 269 HB3 LYS A 15 42.270 36.340 50.930 1.00 20.00 \nATOM 270 CG LYS A 15 41.830 38.410 51.510 1.00 20.00 \nATOM 271 HG2 LYS A 15 41.930 38.630 50.440 1.00 20.00 \nATOM 272 HG3 LYS A 15 40.990 39.000 51.880 1.00 20.00 \nATOM 273 CD LYS A 15 43.180 38.810 52.160 1.00 20.00 \nATOM 274 HD2 LYS A 15 43.270 38.300 53.120 1.00 20.00 \nATOM 275 HD3 LYS A 15 43.970 38.450 51.510 1.00 20.00 \nATOM 276 CE LYS A 15 43.170 40.390 52.360 1.00 20.00 \nATOM 277 HE2 LYS A 15 42.930 40.830 51.390 1.00 20.00 \nATOM 278 HE3 LYS A 15 42.340 40.630 53.020 1.00 20.00 \nATOM 279 NZ LYS A 15 44.520 40.790 52.840 1.00 20.00 \nATOM 280 HZ1 LYS A 15 45.200 40.820 52.100 1.00 20.00 \nATOM 281 HZ2 LYS A 15 44.500 41.700 53.270 1.00 20.00 \nATOM 282 HZ3 LYS A 15 44.950 40.230 53.570 1.00 20.00 \nATOM 283 C LYS A 15 39.730 36.970 49.660 1.00 20.00 \nATOM 284 O LYS A 15 39.970 36.230 48.760 1.00 20.00 \nATOM 285 N ILE A 16 39.160 38.220 49.460 1.00 20.00 \nATOM 286 H ILE A 16 38.970 38.850 50.230 1.00 20.00 \nATOM 287 CA ILE A 16 38.710 38.610 48.090 1.00 20.00 \nATOM 288 HA ILE A 16 37.950 37.880 47.780 1.00 20.00 \nATOM 289 CB ILE A 16 38.050 40.100 48.060 1.00 20.00 \nATOM 290 HB ILE A 16 38.740 40.820 48.490 1.00 20.00 \nATOM 291 CG2 ILE A 16 37.770 40.510 46.620 1.00 20.00 \nATOM 292 HG21 ILE A 16 38.700 40.660 46.070 1.00 20.00 \nATOM 293 HG22 ILE A 16 37.360 39.710 46.010 1.00 20.00 \nATOM 294 HG23 ILE A 16 37.150 41.400 46.480 1.00 20.00 \nATOM 295 CG1 ILE A 16 36.830 40.050 48.970 1.00 20.00 \nATOM 296 HG12 ILE A 16 36.230 39.190 48.670 1.00 20.00 \nATOM 297 HG13 ILE A 16 37.220 39.940 49.980 1.00 20.00 \nATOM 298 CD1 ILE A 16 35.780 41.160 48.790 1.00 20.00 \nATOM 299 HD11 ILE A 16 36.280 42.110 48.980 1.00 20.00 \nATOM 300 HD12 ILE A 16 35.280 41.310 47.830 1.00 20.00 \nATOM 301 HD13 ILE A 16 35.020 41.060 49.580 1.00 20.00 \nATOM 302 C ILE A 16 39.840 38.410 47.000 1.00 20.00 \nATOM 303 O ILE A 16 41.030 38.780 47.140 1.00 20.00 \nATOM 304 N TYR A 17 39.450 37.940 45.780 1.00 20.00 \nATOM 305 H TYR A 17 38.440 37.860 45.690 1.00 20.00 \nATOM 306 CA TYR A 17 40.180 37.870 44.550 1.00 20.00 \nATOM 307 HA TYR A 17 41.060 38.500 44.590 1.00 20.00 \nATOM 308 CB TYR A 17 40.600 36.430 44.350 1.00 20.00 \nATOM 309 HB2 TYR A 17 41.240 36.430 43.470 1.00 20.00 \nATOM 310 HB3 TYR A 17 41.210 36.070 45.180 1.00 20.00 \nATOM 311 CG TYR A 17 39.570 35.370 44.110 1.00 20.00 \nATOM 312 CD1 TYR A 17 38.860 34.820 45.160 1.00 20.00 \nATOM 313 HD1 TYR A 17 38.970 35.110 46.190 1.00 20.00 \nATOM 314 CE1 TYR A 17 37.890 33.750 44.960 1.00 20.00 \nATOM 315 HE1 TYR A 17 37.290 33.410 45.800 1.00 20.00 \nATOM 316 CZ TYR A 17 37.740 33.110 43.660 1.00 20.00 \nATOM 317 OH TYR A 17 36.710 32.210 43.450 1.00 20.00 \nATOM 318 HH TYR A 17 36.730 31.840 42.570 1.00 20.00 \nATOM 319 CE2 TYR A 17 38.630 33.570 42.670 1.00 20.00 \nATOM 320 HE2 TYR A 17 38.600 33.040 41.730 1.00 20.00 \nATOM 321 CD2 TYR A 17 39.470 34.670 42.890 1.00 20.00 \nATOM 322 HD2 TYR A 17 39.990 35.020 42.010 1.00 20.00 \nATOM 323 C TYR A 17 39.270 38.330 43.410 1.00 20.00 \nATOM 324 O TYR A 17 38.080 38.520 43.610 1.00 20.00 \nATOM 325 N LYS A 18 39.860 38.570 42.240 1.00 20.00 \nATOM 326 H LYS A 18 40.860 38.460 42.110 1.00 20.00 \nATOM 327 CA LYS A 18 39.200 38.800 40.920 1.00 20.00 \nATOM 328 HA LYS A 18 38.140 39.040 41.040 1.00 20.00 \nATOM 329 CB LYS A 18 39.940 40.050 40.330 1.00 20.00 \nATOM 330 HB2 LYS A 18 40.960 39.730 40.130 1.00 20.00 \nATOM 331 HB3 LYS A 18 39.530 40.190 39.330 1.00 20.00 \nATOM 332 CG LYS A 18 39.960 41.410 41.070 1.00 20.00 \nATOM 333 HG2 LYS A 18 38.970 41.870 41.070 1.00 20.00 \nATOM 334 HG3 LYS A 18 40.300 41.250 42.100 1.00 20.00 \nATOM 335 CD LYS A 18 40.770 42.550 40.350 1.00 20.00 \nATOM 336 HD2 LYS A 18 41.730 42.250 39.930 1.00 20.00 \nATOM 337 HD3 LYS A 18 40.090 42.780 39.530 1.00 20.00 \nATOM 338 CE LYS A 18 40.840 43.760 41.270 1.00 20.00 \nATOM 339 HE2 LYS A 18 39.870 44.240 41.380 1.00 20.00 \nATOM 340 HE3 LYS A 18 41.320 43.420 42.190 1.00 20.00 \nATOM 341 NZ LYS A 18 41.700 44.660 40.480 1.00 20.00 \nATOM 342 HZ1 LYS A 18 41.980 45.420 41.080 1.00 20.00 \nATOM 343 HZ2 LYS A 18 42.540 44.270 40.080 1.00 20.00 \nATOM 344 HZ3 LYS A 18 41.210 45.070 39.700 1.00 20.00 \nATOM 345 C LYS A 18 39.320 37.510 40.060 1.00 20.00 \nATOM 346 O LYS A 18 40.310 36.770 40.140 1.00 20.00 \nATOM 347 N ASP A 19 38.270 37.330 39.250 1.00 20.00 \nATOM 348 H ASP A 19 37.620 38.090 39.150 1.00 20.00 \nATOM 349 CA ASP A 19 38.160 36.100 38.420 1.00 20.00 \nATOM 350 HA ASP A 19 38.670 35.290 38.940 1.00 20.00 \nATOM 351 CB ASP A 19 36.660 35.640 38.330 1.00 20.00 \nATOM 352 HB2 ASP A 19 36.600 34.730 37.730 1.00 20.00 \nATOM 353 HB3 ASP A 19 36.240 35.450 39.320 1.00 20.00 \nATOM 354 CG ASP A 19 35.690 36.560 37.630 1.00 20.00 \nATOM 355 OD1 ASP A 19 36.110 37.370 36.740 1.00 20.00 \nATOM 356 OD2 ASP A 19 34.430 36.330 37.710 1.00 20.00 \nATOM 357 C ASP A 19 38.870 36.330 37.050 1.00 20.00 \nATOM 358 O ASP A 19 39.630 37.330 36.780 1.00 20.00 \nATOM 359 N THR A 20 38.620 35.390 36.080 1.00 20.00 \nATOM 360 H THR A 20 38.300 34.510 36.440 1.00 20.00 \nATOM 361 CA THR A 20 39.220 35.440 34.750 1.00 20.00 \nATOM 362 HA THR A 20 40.310 35.530 34.780 1.00 20.00 \nATOM 363 CB THR A 20 38.880 34.170 34.050 1.00 20.00 \nATOM 364 HB THR A 20 37.900 34.300 33.590 1.00 20.00 \nATOM 365 CG2 THR A 20 39.890 33.700 33.050 1.00 20.00 \nATOM 366 HG21 THR A 20 39.480 32.830 32.540 1.00 20.00 \nATOM 367 HG22 THR A 20 40.030 34.510 32.330 1.00 20.00 \nATOM 368 HG23 THR A 20 40.820 33.520 33.580 1.00 20.00 \nATOM 369 OG1 THR A 20 38.780 33.060 34.920 1.00 20.00 \nATOM 370 HG1 THR A 20 39.570 32.990 35.460 1.00 20.00 \nATOM 371 C THR A 20 38.770 36.670 33.880 1.00 20.00 \nATOM 372 O THR A 20 39.520 37.070 32.990 1.00 20.00 \nATOM 373 N GLU A 21 37.600 37.190 34.240 1.00 20.00 \nATOM 374 H GLU A 21 37.060 36.760 34.970 1.00 20.00 \nATOM 375 CA GLU A 21 37.040 38.450 33.690 1.00 20.00 \nATOM 376 HA GLU A 21 37.590 38.740 32.790 1.00 20.00 \nATOM 377 CB GLU A 21 35.550 38.270 33.190 1.00 20.00 \nATOM 378 HB2 GLU A 21 34.930 37.990 34.040 1.00 20.00 \nATOM 379 HB3 GLU A 21 35.180 39.170 32.720 1.00 20.00 \nATOM 380 CG GLU A 21 35.260 37.100 32.130 1.00 20.00 \nATOM 381 HG2 GLU A 21 35.910 36.290 32.470 1.00 20.00 \nATOM 382 HG3 GLU A 21 34.200 36.850 32.250 1.00 20.00 \nATOM 383 CD GLU A 21 35.460 37.680 30.740 1.00 20.00 \nATOM 384 OE1 GLU A 21 36.580 38.120 30.460 1.00 20.00 \nATOM 385 OE2 GLU A 21 34.540 37.780 29.910 1.00 20.00 \nATOM 386 C GLU A 21 37.230 39.580 34.690 1.00 20.00 \nATOM 387 O GLU A 21 36.770 40.660 34.500 1.00 20.00 \nATOM 388 N GLY A 22 38.020 39.470 35.780 1.00 20.00 \nATOM 389 H GLY A 22 38.370 38.530 35.900 1.00 20.00 \nATOM 390 CA GLY A 22 38.470 40.490 36.760 1.00 20.00 \nATOM 391 HA2 GLY A 22 39.320 40.000 37.240 1.00 20.00 \nATOM 392 HA3 GLY A 22 38.870 41.340 36.220 1.00 20.00 \nATOM 393 C GLY A 22 37.410 40.910 37.790 1.00 20.00 \nATOM 394 O GLY A 22 37.580 41.980 38.390 1.00 20.00 \nATOM 395 N TYR A 23 36.320 40.160 37.980 1.00 20.00 \nATOM 396 H TYR A 23 36.090 39.380 37.380 1.00 20.00 \nATOM 397 CA TYR A 23 35.210 40.550 38.830 1.00 20.00 \nATOM 398 HA TYR A 23 35.140 41.640 38.870 1.00 20.00 \nATOM 399 CB TYR A 23 33.900 40.080 38.130 1.00 20.00 \nATOM 400 HB2 TYR A 23 33.930 39.000 37.960 1.00 20.00 \nATOM 401 HB3 TYR A 23 32.990 40.350 38.670 1.00 20.00 \nATOM 402 CG TYR A 23 33.750 40.810 36.810 1.00 20.00 \nATOM 403 CD1 TYR A 23 33.840 42.210 36.730 1.00 20.00 \nATOM 404 HD1 TYR A 23 34.160 42.880 37.520 1.00 20.00 \nATOM 405 CE1 TYR A 23 33.440 42.910 35.610 1.00 20.00 \nATOM 406 HE1 TYR A 23 33.370 43.980 35.520 1.00 20.00 \nATOM 407 CZ TYR A 23 33.100 42.170 34.470 1.00 20.00 \nATOM 408 OH TYR A 23 32.880 42.840 33.290 1.00 20.00 \nATOM 409 HH TYR A 23 32.810 42.260 32.530 1.00 20.00 \nATOM 410 CE2 TYR A 23 33.190 40.800 34.500 1.00 20.00 \nATOM 411 HE2 TYR A 23 33.080 40.250 33.570 1.00 20.00 \nATOM 412 CD2 TYR A 23 33.410 40.060 35.680 1.00 20.00 \nATOM 413 HD2 TYR A 23 33.460 38.980 35.670 1.00 20.00 \nATOM 414 C TYR A 23 35.350 39.980 40.240 1.00 20.00 \nATOM 415 O TYR A 23 35.820 38.850 40.500 1.00 20.00 \nATOM 416 N TYR A 24 35.110 40.850 41.240 1.00 20.00 \nATOM 417 H TYR A 24 34.610 41.680 40.960 1.00 20.00 \nATOM 418 CA TYR A 24 35.480 40.600 42.650 1.00 20.00 \nATOM 419 HA TYR A 24 36.490 40.190 42.650 1.00 20.00 \nATOM 420 CB TYR A 24 35.420 41.950 43.360 1.00 20.00 \nATOM 421 HB2 TYR A 24 34.630 42.540 42.900 1.00 20.00 \nATOM 422 HB3 TYR A 24 35.070 41.790 44.380 1.00 20.00 \nATOM 423 CG TYR A 24 36.740 42.740 43.500 1.00 20.00 \nATOM 424 CD1 TYR A 24 37.990 42.190 43.810 1.00 20.00 \nATOM 425 HD1 TYR A 24 38.070 41.140 44.040 1.00 20.00 \nATOM 426 CE1 TYR A 24 39.100 43.020 44.020 1.00 20.00 \nATOM 427 HE1 TYR A 24 40.050 42.650 44.370 1.00 20.00 \nATOM 428 CZ TYR A 24 38.870 44.400 43.770 1.00 20.00 \nATOM 429 OH TYR A 24 40.020 45.220 43.940 1.00 20.00 \nATOM 430 HH TYR A 24 39.950 46.150 43.730 1.00 20.00 \nATOM 431 CE2 TYR A 24 37.670 44.950 43.370 1.00 20.00 \nATOM 432 HE2 TYR A 24 37.560 46.010 43.210 1.00 20.00 \nATOM 433 CD2 TYR A 24 36.560 44.130 43.250 1.00 20.00 \nATOM 434 HD2 TYR A 24 35.630 44.630 43.030 1.00 20.00 \nATOM 435 C TYR A 24 34.610 39.510 43.320 1.00 20.00 \nATOM 436 O TYR A 24 33.410 39.670 43.480 1.00 20.00 \nATOM 437 N THR A 25 35.290 38.430 43.690 1.00 20.00 \nATOM 438 H THR A 25 36.300 38.480 43.560 1.00 20.00 \nATOM 439 CA THR A 25 34.710 37.190 44.130 1.00 20.00 \nATOM 440 HA THR A 25 33.640 37.250 44.360 1.00 20.00 \nATOM 441 CB THR A 25 34.950 36.160 43.000 1.00 20.00 \nATOM 442 HB THR A 25 36.010 36.000 42.830 1.00 20.00 \nATOM 443 CG2 THR A 25 34.390 34.820 43.070 1.00 20.00 \nATOM 444 HG21 THR A 25 33.310 35.000 43.130 1.00 20.00 \nATOM 445 HG22 THR A 25 34.590 34.170 42.220 1.00 20.00 \nATOM 446 HG23 THR A 25 34.750 34.200 43.900 1.00 20.00 \nATOM 447 OG1 THR A 25 34.320 36.660 41.750 1.00 20.00 \nATOM 448 HG1 THR A 25 34.640 37.550 41.590 1.00 20.00 \nATOM 449 C THR A 25 35.350 36.670 45.360 1.00 20.00 \nATOM 450 O THR A 25 36.340 37.230 45.760 1.00 20.00 \nATOM 451 N ILE A 26 34.720 35.680 45.960 1.00 20.00 \nATOM 452 H ILE A 26 33.780 35.490 45.640 1.00 20.00 \nATOM 453 CA ILE A 26 35.240 34.940 47.210 1.00 20.00 \nATOM 454 HA ILE A 26 36.330 35.030 47.180 1.00 20.00 \nATOM 455 CB ILE A 26 34.890 35.710 48.460 1.00 20.00 \nATOM 456 HB ILE A 26 35.030 36.750 48.160 1.00 20.00 \nATOM 457 CG2 ILE A 26 33.460 35.510 48.810 1.00 20.00 \nATOM 458 HG21 ILE A 26 33.370 34.480 49.140 1.00 20.00 \nATOM 459 HG22 ILE A 26 33.280 36.270 49.570 1.00 20.00 \nATOM 460 HG23 ILE A 26 32.810 35.600 47.940 1.00 20.00 \nATOM 461 CG1 ILE A 26 35.820 35.460 49.730 1.00 20.00 \nATOM 462 HG12 ILE A 26 35.570 34.510 50.190 1.00 20.00 \nATOM 463 HG13 ILE A 26 36.850 35.460 49.380 1.00 20.00 \nATOM 464 CD1 ILE A 26 35.670 36.550 50.850 1.00 20.00 \nATOM 465 HD11 ILE A 26 35.750 37.560 50.440 1.00 20.00 \nATOM 466 HD12 ILE A 26 34.730 36.440 51.390 1.00 20.00 \nATOM 467 HD13 ILE A 26 36.400 36.320 51.620 1.00 20.00 \nATOM 468 C ILE A 26 34.940 33.420 47.230 1.00 20.00 \nATOM 469 O ILE A 26 34.090 32.930 46.420 1.00 20.00 \nATOM 470 N GLY A 27 35.560 32.700 48.190 1.00 20.00 \nATOM 471 H GLY A 27 36.040 33.250 48.890 1.00 20.00 \nATOM 472 CA GLY A 27 35.340 31.250 48.420 1.00 20.00 \nATOM 473 HA2 GLY A 27 35.930 30.740 49.180 1.00 20.00 \nATOM 474 HA3 GLY A 27 34.270 31.230 48.640 1.00 20.00 \nATOM 475 C GLY A 27 35.580 30.430 47.160 1.00 20.00 \nATOM 476 O GLY A 27 36.670 30.490 46.550 1.00 20.00 \nATOM 477 N ILE A 28 34.630 29.600 46.820 1.00 20.00 \nATOM 478 H ILE A 28 33.770 29.710 47.330 1.00 20.00 \nATOM 479 CA ILE A 28 34.760 28.560 45.770 1.00 20.00 \nATOM 480 HA ILE A 28 35.800 28.420 45.490 1.00 20.00 \nATOM 481 CB ILE A 28 34.410 27.210 46.380 1.00 20.00 \nATOM 482 HB ILE A 28 33.350 27.240 46.600 1.00 20.00 \nATOM 483 CG2 ILE A 28 34.690 26.020 45.450 1.00 20.00 \nATOM 484 HG21 ILE A 28 33.940 25.250 45.650 1.00 20.00 \nATOM 485 HG22 ILE A 28 34.730 26.330 44.410 1.00 20.00 \nATOM 486 HG23 ILE A 28 35.710 25.690 45.670 1.00 20.00 \nATOM 487 CG1 ILE A 28 35.200 26.880 47.720 1.00 20.00 \nATOM 488 HG12 ILE A 28 36.280 26.910 47.580 1.00 20.00 \nATOM 489 HG13 ILE A 28 34.930 27.630 48.470 1.00 20.00 \nATOM 490 CD1 ILE A 28 34.870 25.580 48.460 1.00 20.00 \nATOM 491 HD11 ILE A 28 33.780 25.530 48.500 1.00 20.00 \nATOM 492 HD12 ILE A 28 35.300 24.770 47.880 1.00 20.00 \nATOM 493 HD13 ILE A 28 35.150 25.620 49.520 1.00 20.00 \nATOM 494 C ILE A 28 33.830 29.030 44.580 1.00 20.00 \nATOM 495 O ILE A 28 32.980 28.310 44.120 1.00 20.00 \nATOM 496 N GLY A 29 34.070 30.310 44.120 1.00 20.00 \nATOM 497 H GLY A 29 34.710 30.860 44.680 1.00 20.00 \nATOM 498 CA GLY A 29 33.430 30.930 42.930 1.00 20.00 \nATOM 499 HA2 GLY A 29 34.230 31.420 42.370 1.00 20.00 \nATOM 500 HA3 GLY A 29 32.980 30.130 42.350 1.00 20.00 \nATOM 501 C GLY A 29 32.200 31.890 43.220 1.00 20.00 \nATOM 502 O GLY A 29 31.540 32.260 42.270 1.00 20.00 \nATOM 503 N HIS A 30 31.910 32.170 44.470 1.00 20.00 \nATOM 504 H HIS A 30 32.620 32.010 45.170 1.00 20.00 \nATOM 505 CA HIS A 30 30.780 33.000 44.820 1.00 20.00 \nATOM 506 HA HIS A 30 29.880 32.760 44.260 1.00 20.00 \nATOM 507 CB HIS A 30 30.400 32.750 46.300 1.00 20.00 \nATOM 508 HB2 HIS A 30 29.930 31.790 46.490 1.00 20.00 \nATOM 509 HB3 HIS A 30 31.250 32.980 46.950 1.00 20.00 \nATOM 510 CG HIS A 30 29.250 33.720 46.620 1.00 20.00 \nATOM 511 ND1 HIS A 30 27.950 33.350 46.290 1.00 20.00 \nATOM 512 CE1 HIS A 30 27.190 34.510 46.640 1.00 20.00 \nATOM 513 HE1 HIS A 30 26.120 34.640 46.590 1.00 20.00 \nATOM 514 NE2 HIS A 30 27.960 35.360 47.330 1.00 20.00 \nATOM 515 HE2 HIS A 30 27.680 36.290 47.610 1.00 20.00 \nATOM 516 CD2 HIS A 30 29.180 34.930 47.280 1.00 20.00 \nATOM 517 HD2 HIS A 30 30.050 35.420 47.700 1.00 20.00 \nATOM 518 C HIS A 30 31.100 34.510 44.490 1.00 20.00 \nATOM 519 O HIS A 30 32.020 35.060 45.140 1.00 20.00 \nATOM 520 N LEU A 31 30.450 35.130 43.490 1.00 20.00 \nATOM 521 H LEU A 31 29.760 34.530 43.040 1.00 20.00 \nATOM 522 CA LEU A 31 30.670 36.510 43.050 1.00 20.00 \nATOM 523 HA LEU A 31 31.730 36.730 43.110 1.00 20.00 \nATOM 524 CB LEU A 31 30.240 36.560 41.610 1.00 20.00 \nATOM 525 HB2 LEU A 31 31.050 35.990 41.150 1.00 20.00 \nATOM 526 HB3 LEU A 31 29.290 36.020 41.550 1.00 20.00 \nATOM 527 CG LEU A 31 30.220 37.810 40.780 1.00 20.00 \nATOM 528 HG LEU A 31 29.610 38.530 41.330 1.00 20.00 \nATOM 529 CD1 LEU A 31 31.590 38.400 40.600 1.00 20.00 \nATOM 530 HD11 LEU A 31 32.110 38.560 41.550 1.00 20.00 \nATOM 531 HD12 LEU A 31 32.220 37.650 40.120 1.00 20.00 \nATOM 532 HD13 LEU A 31 31.650 39.340 40.050 1.00 20.00 \nATOM 533 CD2 LEU A 31 29.620 37.660 39.430 1.00 20.00 \nATOM 534 HD21 LEU A 31 30.190 36.910 38.870 1.00 20.00 \nATOM 535 HD22 LEU A 31 28.680 37.150 39.620 1.00 20.00 \nATOM 536 HD23 LEU A 31 29.520 38.660 39.010 1.00 20.00 \nATOM 537 C LEU A 31 29.960 37.540 43.960 1.00 20.00 \nATOM 538 O LEU A 31 28.760 37.300 44.260 1.00 20.00 \nATOM 539 N LEU A 32 30.580 38.690 44.190 1.00 20.00 \nATOM 540 H LEU A 32 31.510 38.860 43.850 1.00 20.00 \nATOM 541 CA LEU A 32 30.030 39.780 44.900 1.00 20.00 \nATOM 542 HA LEU A 32 29.200 39.530 45.560 1.00 20.00 \nATOM 543 CB LEU A 32 31.030 40.180 46.020 1.00 20.00 \nATOM 544 HB2 LEU A 32 31.940 40.510 45.520 1.00 20.00 \nATOM 545 HB3 LEU A 32 30.630 41.000 46.610 1.00 20.00 \nATOM 546 CG LEU A 32 31.400 39.020 47.050 1.00 20.00 \nATOM 547 HG LEU A 32 31.680 38.110 46.520 1.00 20.00 \nATOM 548 CD1 LEU A 32 32.620 39.540 47.930 1.00 20.00 \nATOM 549 HD11 LEU A 32 32.340 40.460 48.430 1.00 20.00 \nATOM 550 HD12 LEU A 32 32.980 38.690 48.510 1.00 20.00 \nATOM 551 HD13 LEU A 32 33.450 39.780 47.260 1.00 20.00 \nATOM 552 CD2 LEU A 32 30.220 38.670 47.870 1.00 20.00 \nATOM 553 HD21 LEU A 32 29.750 39.530 48.350 1.00 20.00 \nATOM 554 HD22 LEU A 32 29.490 38.170 47.220 1.00 20.00 \nATOM 555 HD23 LEU A 32 30.500 38.010 48.690 1.00 20.00 \nATOM 556 C LEU A 32 29.640 40.990 44.050 1.00 20.00 \nATOM 557 O LEU A 32 28.500 41.450 44.230 1.00 20.00 \nATOM 558 N THR A 33 30.520 41.480 43.120 1.00 20.00 \nATOM 559 H THR A 33 31.490 41.250 42.990 1.00 20.00 \nATOM 560 CA THR A 33 30.100 42.620 42.210 1.00 20.00 \nATOM 561 HA THR A 33 29.070 42.430 41.890 1.00 20.00 \nATOM 562 CB THR A 33 30.250 43.930 43.080 1.00 20.00 \nATOM 563 HB THR A 33 29.550 43.820 43.910 1.00 20.00 \nATOM 564 CG2 THR A 33 31.650 44.270 43.510 1.00 20.00 \nATOM 565 HG21 THR A 33 31.670 45.250 43.990 1.00 20.00 \nATOM 566 HG22 THR A 33 32.010 43.530 44.210 1.00 20.00 \nATOM 567 HG23 THR A 33 32.320 44.290 42.640 1.00 20.00 \nATOM 568 OG1 THR A 33 29.780 45.100 42.380 1.00 20.00 \nATOM 569 HG1 THR A 33 28.830 45.240 42.370 1.00 20.00 \nATOM 570 C THR A 33 30.930 42.650 40.950 1.00 20.00 \nATOM 571 O THR A 33 32.130 42.290 41.080 1.00 20.00 \nATOM 572 N LYS A 34 30.450 43.290 39.920 1.00 20.00 \nATOM 573 H LYS A 34 29.490 43.600 39.900 1.00 20.00 \nATOM 574 CA LYS A 34 31.280 43.840 38.830 1.00 20.00 \nATOM 575 HA LYS A 34 32.220 43.290 38.800 1.00 20.00 \nATOM 576 CB LYS A 34 30.510 43.730 37.530 1.00 20.00 \nATOM 577 HB2 LYS A 34 29.650 44.410 37.510 1.00 20.00 \nATOM 578 HB3 LYS A 34 31.320 44.020 36.860 1.00 20.00 \nATOM 579 CG LYS A 34 30.110 42.290 37.130 1.00 20.00 \nATOM 580 HG2 LYS A 34 30.990 41.640 37.170 1.00 20.00 \nATOM 581 HG3 LYS A 34 29.280 41.930 37.740 1.00 20.00 \nATOM 582 CD LYS A 34 29.650 42.300 35.690 1.00 20.00 \nATOM 583 HD2 LYS A 34 28.750 42.890 35.470 1.00 20.00 \nATOM 584 HD3 LYS A 34 30.330 42.890 35.080 1.00 20.00 \nATOM 585 CE LYS A 34 29.530 40.930 35.150 1.00 20.00 \nATOM 586 HE2 LYS A 34 30.510 40.430 35.150 1.00 20.00 \nATOM 587 HE3 LYS A 34 28.860 40.340 35.780 1.00 20.00 \nATOM 588 NZ LYS A 34 28.990 40.970 33.780 1.00 20.00 \nATOM 589 HZ1 LYS A 34 28.040 41.300 33.770 1.00 20.00 \nATOM 590 HZ2 LYS A 34 29.480 41.530 33.100 1.00 20.00 \nATOM 591 HZ3 LYS A 34 28.890 40.050 33.370 1.00 20.00 \nATOM 592 C LYS A 34 31.860 45.310 39.140 1.00 20.00 \nATOM 593 O LYS A 34 32.650 45.750 38.250 1.00 20.00 \nATOM 594 N SER A 35 31.420 46.030 40.200 1.00 20.00 \nATOM 595 H SER A 35 30.750 45.620 40.830 1.00 20.00 \nATOM 596 CA SER A 35 31.920 47.380 40.450 1.00 20.00 \nATOM 597 HA SER A 35 31.690 48.050 39.620 1.00 20.00 \nATOM 598 CB SER A 35 31.200 47.920 41.700 1.00 20.00 \nATOM 599 HB2 SER A 35 31.300 47.250 42.550 1.00 20.00 \nATOM 600 HB3 SER A 35 31.550 48.900 42.010 1.00 20.00 \nATOM 601 OG SER A 35 29.860 48.150 41.260 1.00 20.00 \nATOM 602 HG SER A 35 29.250 47.910 41.960 1.00 20.00 \nATOM 603 C SER A 35 33.420 47.330 40.810 1.00 20.00 \nATOM 604 O SER A 35 33.830 46.450 41.540 1.00 20.00 \nATOM 605 N PRO A 36 34.270 48.280 40.290 1.00 20.00 \nATOM 606 CD PRO A 36 33.890 49.380 39.350 1.00 20.00 \nATOM 607 HD2 PRO A 36 33.050 50.010 39.630 1.00 20.00 \nATOM 608 HD3 PRO A 36 33.720 48.950 38.360 1.00 20.00 \nATOM 609 CG PRO A 36 35.080 50.300 39.210 1.00 20.00 \nATOM 610 HG2 PRO A 36 34.990 51.120 39.920 1.00 20.00 \nATOM 611 HG3 PRO A 36 35.190 50.490 38.140 1.00 20.00 \nATOM 612 CB PRO A 36 36.240 49.430 39.680 1.00 20.00 \nATOM 613 HB2 PRO A 36 37.100 49.970 40.070 1.00 20.00 \nATOM 614 HB3 PRO A 36 36.510 48.850 38.800 1.00 20.00 \nATOM 615 CA PRO A 36 35.770 48.340 40.620 1.00 20.00 \nATOM 616 HA PRO A 36 36.220 47.380 40.370 1.00 20.00 \nATOM 617 C PRO A 36 36.180 48.780 42.020 1.00 20.00 \nATOM 618 O PRO A 36 37.340 48.690 42.400 1.00 20.00 \nATOM 619 N SER A 37 35.220 49.110 42.860 1.00 20.00 \nATOM 620 H SER A 37 34.260 49.030 42.540 1.00 20.00 \nATOM 621 CA SER A 37 35.390 49.330 44.320 1.00 20.00 \nATOM 622 HA SER A 37 36.300 49.920 44.370 1.00 20.00 \nATOM 623 CB SER A 37 34.170 50.080 44.800 1.00 20.00 \nATOM 624 HB2 SER A 37 34.120 51.020 44.240 1.00 20.00 \nATOM 625 HB3 SER A 37 33.240 49.570 44.560 1.00 20.00 \nATOM 626 OG SER A 37 34.330 50.320 46.110 1.00 20.00 \nATOM 627 HG SER A 37 33.730 51.010 46.390 1.00 20.00 \nATOM 628 C SER A 37 35.470 48.050 45.050 1.00 20.00 \nATOM 629 O SER A 37 34.500 47.240 44.980 1.00 20.00 \nATOM 630 N LEU A 38 36.480 47.970 45.880 1.00 20.00 \nATOM 631 H LEU A 38 37.260 48.590 45.730 1.00 20.00 \nATOM 632 CA LEU A 38 36.640 46.880 46.760 1.00 20.00 \nATOM 633 HA LEU A 38 36.370 45.970 46.230 1.00 20.00 \nATOM 634 CB LEU A 38 38.150 46.800 47.170 1.00 20.00 \nATOM 635 HB2 LEU A 38 38.750 46.870 46.260 1.00 20.00 \nATOM 636 HB3 LEU A 38 38.250 47.780 47.640 1.00 20.00 \nATOM 637 CG LEU A 38 38.510 45.640 48.100 1.00 20.00 \nATOM 638 HG LEU A 38 37.730 45.650 48.860 1.00 20.00 \nATOM 639 CD1 LEU A 38 38.340 44.220 47.420 1.00 20.00 \nATOM 640 HD11 LEU A 38 37.310 44.090 47.070 1.00 20.00 \nATOM 641 HD12 LEU A 38 39.070 44.100 46.620 1.00 20.00 \nATOM 642 HD13 LEU A 38 38.400 43.430 48.160 1.00 20.00 \nATOM 643 CD2 LEU A 38 39.830 45.730 48.810 1.00 20.00 \nATOM 644 HD21 LEU A 38 39.910 46.720 49.260 1.00 20.00 \nATOM 645 HD22 LEU A 38 39.860 45.010 49.630 1.00 20.00 \nATOM 646 HD23 LEU A 38 40.640 45.580 48.090 1.00 20.00 \nATOM 647 C LEU A 38 35.690 47.040 47.920 1.00 20.00 \nATOM 648 O LEU A 38 35.090 46.130 48.440 1.00 20.00 \nATOM 649 N ASN A 39 35.410 48.300 48.360 1.00 20.00 \nATOM 650 H ASN A 39 35.980 49.020 47.940 1.00 20.00 \nATOM 651 CA ASN A 39 34.450 48.690 49.350 1.00 20.00 \nATOM 652 HA ASN A 39 34.790 48.120 50.220 1.00 20.00 \nATOM 653 CB ASN A 39 34.540 50.190 49.650 1.00 20.00 \nATOM 654 HB2 ASN A 39 34.340 50.810 48.770 1.00 20.00 \nATOM 655 HB3 ASN A 39 33.740 50.450 50.350 1.00 20.00 \nATOM 656 CG ASN A 39 35.840 50.650 50.200 1.00 20.00 \nATOM 657 OD1 ASN A 39 36.830 50.230 49.670 1.00 20.00 \nATOM 658 ND2 ASN A 39 35.880 51.430 51.270 1.00 20.00 \nATOM 659 HD21 ASN A 39 36.760 51.820 51.590 1.00 20.00 \nATOM 660 HD22 ASN A 39 35.100 51.820 51.790 1.00 20.00 \nATOM 661 C ASN A 39 33.070 48.210 49.070 1.00 20.00 \nATOM 662 O ASN A 39 32.480 47.590 49.960 1.00 20.00 \nATOM 663 N ALA A 40 32.640 48.320 47.790 1.00 20.00 \nATOM 664 H ALA A 40 33.180 48.860 47.130 1.00 20.00 \nATOM 665 CA ALA A 40 31.300 47.710 47.430 1.00 20.00 \nATOM 666 HA ALA A 40 30.530 48.070 48.110 1.00 20.00 \nATOM 667 CB ALA A 40 30.970 48.220 46.010 1.00 20.00 \nATOM 668 HB1 ALA A 40 31.000 49.300 45.860 1.00 20.00 \nATOM 669 HB2 ALA A 40 31.650 47.780 45.280 1.00 20.00 \nATOM 670 HB3 ALA A 40 29.960 47.930 45.700 1.00 20.00 \nATOM 671 C ALA A 40 31.320 46.190 47.470 1.00 20.00 \nATOM 672 O ALA A 40 30.320 45.600 47.940 1.00 20.00 \nATOM 673 N ALA A 41 32.390 45.460 47.080 1.00 20.00 \nATOM 674 H ALA A 41 33.180 46.010 46.780 1.00 20.00 \nATOM 675 CA ALA A 41 32.390 43.980 47.090 1.00 20.00 \nATOM 676 HA ALA A 41 31.440 43.670 46.650 1.00 20.00 \nATOM 677 CB ALA A 41 33.660 43.520 46.350 1.00 20.00 \nATOM 678 HB1 ALA A 41 34.610 43.510 46.890 1.00 20.00 \nATOM 679 HB2 ALA A 41 33.550 42.470 46.060 1.00 20.00 \nATOM 680 HB3 ALA A 41 33.750 44.050 45.410 1.00 20.00 \nATOM 681 C ALA A 41 32.330 43.530 48.550 1.00 20.00 \nATOM 682 O ALA A 41 31.560 42.640 48.900 1.00 20.00 \nATOM 683 N LYS A 42 33.110 44.130 49.410 1.00 20.00 \nATOM 684 H LYS A 42 33.770 44.800 49.030 1.00 20.00 \nATOM 685 CA LYS A 42 33.070 43.950 50.870 1.00 20.00 \nATOM 686 HA LYS A 42 33.380 42.920 51.040 1.00 20.00 \nATOM 687 CB LYS A 42 34.120 44.810 51.590 1.00 20.00 \nATOM 688 HB2 LYS A 42 34.090 45.830 51.230 1.00 20.00 \nATOM 689 HB3 LYS A 42 33.840 44.750 52.640 1.00 20.00 \nATOM 690 CG LYS A 42 35.610 44.340 51.510 1.00 20.00 \nATOM 691 HG2 LYS A 42 35.800 43.580 52.260 1.00 20.00 \nATOM 692 HG3 LYS A 42 35.800 43.910 50.520 1.00 20.00 \nATOM 693 CD LYS A 42 36.560 45.520 51.770 1.00 20.00 \nATOM 694 HD2 LYS A 42 37.570 45.210 51.520 1.00 20.00 \nATOM 695 HD3 LYS A 42 36.320 46.430 51.220 1.00 20.00 \nATOM 696 CE LYS A 42 36.450 45.950 53.300 1.00 20.00 \nATOM 697 HE2 LYS A 42 35.580 46.580 53.460 1.00 20.00 \nATOM 698 HE3 LYS A 42 36.400 45.060 53.940 1.00 20.00 \nATOM 699 NZ LYS A 42 37.670 46.670 53.670 1.00 20.00 \nATOM 700 HZ1 LYS A 42 38.540 46.190 53.530 1.00 20.00 \nATOM 701 HZ2 LYS A 42 37.690 47.560 53.190 1.00 20.00 \nATOM 702 HZ3 LYS A 42 37.630 46.970 54.630 1.00 20.00 \nATOM 703 C LYS A 42 31.700 44.180 51.460 1.00 20.00 \nATOM 704 O LYS A 42 31.270 43.370 52.260 1.00 20.00 \nATOM 705 N SER A 43 31.010 45.270 51.030 1.00 20.00 \nATOM 706 H SER A 43 31.460 45.790 50.290 1.00 20.00 \nATOM 707 CA SER A 43 29.680 45.610 51.580 1.00 20.00 \nATOM 708 HA SER A 43 29.660 45.660 52.670 1.00 20.00 \nATOM 709 CB SER A 43 29.290 46.940 50.970 1.00 20.00 \nATOM 710 HB2 SER A 43 29.160 46.860 49.890 1.00 20.00 \nATOM 711 HB3 SER A 43 28.260 47.190 51.250 1.00 20.00 \nATOM 712 OG SER A 43 30.110 47.980 51.350 1.00 20.00 \nATOM 713 HG SER A 43 31.000 47.810 51.020 1.00 20.00 \nATOM 714 C SER A 43 28.540 44.670 51.090 1.00 20.00 \nATOM 715 O SER A 43 27.600 44.480 51.860 1.00 20.00 \nATOM 716 N GLU A 44 28.690 44.000 49.960 1.00 20.00 \nATOM 717 H GLU A 44 29.370 44.390 49.320 1.00 20.00 \nATOM 718 CA GLU A 44 27.780 42.950 49.480 1.00 20.00 \nATOM 719 HA GLU A 44 26.720 43.130 49.670 1.00 20.00 \nATOM 720 CB GLU A 44 27.950 42.920 47.930 1.00 20.00 \nATOM 721 HB2 GLU A 44 28.990 43.100 47.630 1.00 20.00 \nATOM 722 HB3 GLU A 44 27.520 41.970 47.600 1.00 20.00 \nATOM 723 CG GLU A 44 27.330 44.050 47.180 1.00 20.00 \nATOM 724 HG2 GLU A 44 27.900 44.960 47.360 1.00 20.00 \nATOM 725 HG3 GLU A 44 27.500 43.800 46.130 1.00 20.00 \nATOM 726 CD GLU A 44 25.820 44.230 47.450 1.00 20.00 \nATOM 727 OE1 GLU A 44 25.280 45.340 47.600 1.00 20.00 \nATOM 728 OE2 GLU A 44 25.160 43.190 47.510 1.00 20.00 \nATOM 729 C GLU A 44 28.090 41.610 50.110 1.00 20.00 \nATOM 730 O GLU A 44 27.140 40.870 50.350 1.00 20.00 \nATOM 731 N LEU A 45 29.340 41.310 50.360 1.00 20.00 \nATOM 732 H LEU A 45 30.050 41.980 50.110 1.00 20.00 \nATOM 733 CA LEU A 45 29.780 40.250 51.260 1.00 20.00 \nATOM 734 HA LEU A 45 29.520 39.340 50.730 1.00 20.00 \nATOM 735 CB LEU A 45 31.260 40.160 51.370 1.00 20.00 \nATOM 736 HB2 LEU A 45 31.650 39.870 50.390 1.00 20.00 \nATOM 737 HB3 LEU A 45 31.650 41.130 51.680 1.00 20.00 \nATOM 738 CG LEU A 45 31.760 39.030 52.210 1.00 20.00 \nATOM 739 HG LEU A 45 31.380 39.170 53.220 1.00 20.00 \nATOM 740 CD1 LEU A 45 31.440 37.620 51.700 1.00 20.00 \nATOM 741 HD11 LEU A 45 31.910 37.350 50.750 1.00 20.00 \nATOM 742 HD12 LEU A 45 31.690 37.000 52.560 1.00 20.00 \nATOM 743 HD13 LEU A 45 30.370 37.560 51.470 1.00 20.00 \nATOM 744 CD2 LEU A 45 33.270 39.170 52.170 1.00 20.00 \nATOM 745 HD21 LEU A 45 33.860 38.600 52.890 1.00 20.00 \nATOM 746 HD22 LEU A 45 33.800 39.080 51.220 1.00 20.00 \nATOM 747 HD23 LEU A 45 33.580 40.050 52.740 1.00 20.00 \nATOM 748 C LEU A 45 28.970 40.240 52.590 1.00 20.00 \nATOM 749 O LEU A 45 28.510 39.210 53.090 1.00 20.00 \nATOM 750 N ASP A 46 28.870 41.350 53.230 1.00 20.00 \nATOM 751 H ASP A 46 29.370 42.180 52.920 1.00 20.00 \nATOM 752 CA ASP A 46 28.290 41.430 54.640 1.00 20.00 \nATOM 753 HA ASP A 46 28.790 40.730 55.310 1.00 20.00 \nATOM 754 CB ASP A 46 28.540 42.850 55.230 1.00 20.00 \nATOM 755 HB2 ASP A 46 28.190 43.640 54.580 1.00 20.00 \nATOM 756 HB3 ASP A 46 28.010 43.040 56.170 1.00 20.00 \nATOM 757 CG ASP A 46 30.040 43.100 55.490 1.00 20.00 \nATOM 758 OD1 ASP A 46 30.870 42.120 55.450 1.00 20.00 \nATOM 759 OD2 ASP A 46 30.500 44.230 55.690 1.00 20.00 \nATOM 760 C ASP A 46 26.760 41.210 54.640 1.00 20.00 \nATOM 761 O ASP A 46 26.220 40.740 55.630 1.00 20.00 \nATOM 762 N LYS A 47 26.130 41.690 53.600 1.00 20.00 \nATOM 763 H LYS A 47 26.580 42.230 52.880 1.00 20.00 \nATOM 764 CA LYS A 47 24.710 41.460 53.350 1.00 20.00 \nATOM 765 HA LYS A 47 24.170 41.560 54.290 1.00 20.00 \nATOM 766 CB LYS A 47 24.230 42.510 52.350 1.00 20.00 \nATOM 767 HB2 LYS A 47 24.870 42.410 51.480 1.00 20.00 \nATOM 768 HB3 LYS A 47 23.240 42.200 52.000 1.00 20.00 \nATOM 769 CG LYS A 47 24.080 43.900 53.030 1.00 20.00 \nATOM 770 HG2 LYS A 47 23.240 43.890 53.720 1.00 20.00 \nATOM 771 HG3 LYS A 47 25.050 44.180 53.450 1.00 20.00 \nATOM 772 CD LYS A 47 23.730 44.910 51.910 1.00 20.00 \nATOM 773 HD2 LYS A 47 22.760 44.650 51.490 1.00 20.00 \nATOM 774 HD3 LYS A 47 23.540 45.880 52.360 1.00 20.00 \nATOM 775 CE LYS A 47 24.650 44.990 50.700 1.00 20.00 \nATOM 776 HE2 LYS A 47 25.690 45.180 50.970 1.00 20.00 \nATOM 777 HE3 LYS A 47 24.520 44.110 50.070 1.00 20.00 \nATOM 778 NZ LYS A 47 24.280 46.240 50.020 1.00 20.00 \nATOM 779 HZ1 LYS A 47 24.660 47.090 50.410 1.00 20.00 \nATOM 780 HZ2 LYS A 47 24.490 46.110 49.040 1.00 20.00 \nATOM 781 HZ3 LYS A 47 23.280 46.340 50.100 1.00 20.00 \nATOM 782 C LYS A 47 24.500 39.980 52.890 1.00 20.00 \nATOM 783 O LYS A 47 23.330 39.550 52.960 1.00 20.00 \nATOM 784 N ALA A 48 25.480 39.250 52.490 1.00 20.00 \nATOM 785 H ALA A 48 26.400 39.660 52.620 1.00 20.00 \nATOM 786 CA ALA A 48 25.320 37.750 52.260 1.00 20.00 \nATOM 787 HA ALA A 48 24.320 37.480 51.940 1.00 20.00 \nATOM 788 CB ALA A 48 26.290 37.310 51.160 1.00 20.00 \nATOM 789 HB1 ALA A 48 26.280 36.240 50.950 1.00 20.00 \nATOM 790 HB2 ALA A 48 26.010 37.780 50.220 1.00 20.00 \nATOM 791 HB3 ALA A 48 27.280 37.690 51.400 1.00 20.00 \nATOM 792 C ALA A 48 25.580 36.950 53.480 1.00 20.00 \nATOM 793 O ALA A 48 24.850 36.000 53.640 1.00 20.00 \nATOM 794 N ILE A 49 26.450 37.340 54.420 1.00 20.00 \nATOM 795 H ILE A 49 26.820 38.270 54.330 1.00 20.00 \nATOM 796 CA ILE A 49 26.670 36.590 55.670 1.00 20.00 \nATOM 797 HA ILE A 49 26.190 35.620 55.540 1.00 20.00 \nATOM 798 CB ILE A 49 28.190 36.280 55.850 1.00 20.00 \nATOM 799 HB ILE A 49 28.560 37.190 56.310 1.00 20.00 \nATOM 800 CG2 ILE A 49 28.450 35.050 56.840 1.00 20.00 \nATOM 801 HG21 ILE A 49 27.800 34.250 56.480 1.00 20.00 \nATOM 802 HG22 ILE A 49 29.480 34.730 56.730 1.00 20.00 \nATOM 803 HG23 ILE A 49 28.220 35.380 57.850 1.00 20.00 \nATOM 804 CG1 ILE A 49 29.020 36.020 54.630 1.00 20.00 \nATOM 805 HG12 ILE A 49 29.050 36.920 54.020 1.00 20.00 \nATOM 806 HG13 ILE A 49 30.010 35.990 55.080 1.00 20.00 \nATOM 807 CD1 ILE A 49 28.680 34.740 53.830 1.00 20.00 \nATOM 808 HD11 ILE A 49 29.540 34.340 53.290 1.00 20.00 \nATOM 809 HD12 ILE A 49 28.410 34.020 54.600 1.00 20.00 \nATOM 810 HD13 ILE A 49 27.860 34.920 53.130 1.00 20.00 \nATOM 811 C ILE A 49 25.920 37.060 56.910 1.00 20.00 \nATOM 812 O ILE A 49 25.660 36.260 57.780 1.00 20.00 \nATOM 813 N GLY A 50 25.610 38.330 56.890 1.00 20.00 \nATOM 814 H GLY A 50 25.780 38.860 56.040 1.00 20.00 \nATOM 815 CA GLY A 50 24.800 38.930 57.950 1.00 20.00 \nATOM 816 HA2 GLY A 50 24.420 39.860 57.530 1.00 20.00 \nATOM 817 HA3 GLY A 50 24.020 38.240 58.270 1.00 20.00 \nATOM 818 C GLY A 50 25.590 39.410 59.110 1.00 20.00 \nATOM 819 O GLY A 50 25.010 39.540 60.150 1.00 20.00 \nATOM 820 N ARG A 51 26.880 39.680 58.910 1.00 20.00 \nATOM 821 H ARG A 51 27.160 39.620 57.940 1.00 20.00 \nATOM 822 CA ARG A 51 27.880 40.240 59.810 1.00 20.00 \nATOM 823 HA ARG A 51 27.460 40.970 60.500 1.00 20.00 \nATOM 824 CB ARG A 51 28.530 39.140 60.710 1.00 20.00 \nATOM 825 HB2 ARG A 51 29.060 39.800 61.390 1.00 20.00 \nATOM 826 HB3 ARG A 51 27.850 38.520 61.290 1.00 20.00 \nATOM 827 CG ARG A 51 29.430 38.180 59.910 1.00 20.00 \nATOM 828 HG2 ARG A 51 28.960 37.740 59.030 1.00 20.00 \nATOM 829 HG3 ARG A 51 30.300 38.710 59.510 1.00 20.00 \nATOM 830 CD ARG A 51 29.910 36.950 60.730 1.00 20.00 \nATOM 831 HD2 ARG A 51 30.200 37.350 61.710 1.00 20.00 \nATOM 832 HD3 ARG A 51 29.010 36.340 60.840 1.00 20.00 \nATOM 833 NE ARG A 51 30.980 36.140 60.060 1.00 20.00 \nATOM 834 HE ARG A 51 30.720 35.230 59.710 1.00 20.00 \nATOM 835 CZ ARG A 51 32.260 36.460 60.110 1.00 20.00 \nATOM 836 NH1 ARG A 51 32.610 37.610 60.570 1.00 20.00 \nATOM 837 HH11 ARG A 51 31.940 38.160 61.090 1.00 20.00 \nATOM 838 HH12 ARG A 51 33.560 37.950 60.570 1.00 20.00 \nATOM 839 NH2 ARG A 51 33.120 35.620 59.600 1.00 20.00 \nATOM 840 HH21 ARG A 51 32.790 34.840 59.040 1.00 20.00 \nATOM 841 HH22 ARG A 51 34.070 35.950 59.480 1.00 20.00 \nATOM 842 C ARG A 51 28.970 40.910 58.940 1.00 20.00 \nATOM 843 O ARG A 51 29.090 40.650 57.750 1.00 20.00 \nATOM 844 N ASN A 52 29.830 41.750 59.560 1.00 20.00 \nATOM 845 H ASN A 52 29.710 41.870 60.560 1.00 20.00 \nATOM 846 CA ASN A 52 30.870 42.520 58.940 1.00 20.00 \nATOM 847 HA ASN A 52 30.570 42.730 57.910 1.00 20.00 \nATOM 848 CB ASN A 52 31.020 43.840 59.640 1.00 20.00 \nATOM 849 HB2 ASN A 52 30.080 44.400 59.690 1.00 20.00 \nATOM 850 HB3 ASN A 52 31.260 43.730 60.700 1.00 20.00 \nATOM 851 CG ASN A 52 32.060 44.730 59.070 1.00 20.00 \nATOM 852 OD1 ASN A 52 32.830 45.220 59.950 1.00 20.00 \nATOM 853 ND2 ASN A 52 32.190 44.930 57.770 1.00 20.00 \nATOM 854 HD21 ASN A 52 32.930 45.540 57.440 1.00 20.00 \nATOM 855 HD22 ASN A 52 31.450 44.580 57.190 1.00 20.00 \nATOM 856 C ASN A 52 32.180 41.660 58.710 1.00 20.00 \nATOM 857 O ASN A 52 33.000 41.590 59.560 1.00 20.00 \nATOM 858 N CYS A 53 32.230 41.000 57.550 1.00 20.00 \nATOM 859 H CYS A 53 31.560 41.130 56.810 1.00 20.00 \nATOM 860 CA CYS A 53 33.350 40.120 57.180 1.00 20.00 \nATOM 861 HA CYS A 53 33.590 39.520 58.060 1.00 20.00 \nATOM 862 CB CYS A 53 32.700 39.170 56.160 1.00 20.00 \nATOM 863 HB2 CYS A 53 32.200 39.690 55.340 1.00 20.00 \nATOM 864 HB3 CYS A 53 33.470 38.530 55.730 1.00 20.00 \nATOM 865 SG CYS A 53 31.390 38.090 56.850 1.00 20.00 \nATOM 866 HG CYS A 53 30.610 39.000 57.450 1.00 20.00 \nATOM 867 C CYS A 53 34.700 40.820 56.790 1.00 20.00 \nATOM 868 O CYS A 53 35.720 40.170 56.740 1.00 20.00 \nATOM 869 N ASN A 54 34.570 42.100 56.370 1.00 20.00 \nATOM 870 H ASN A 54 33.700 42.600 56.300 1.00 20.00 \nATOM 871 CA ASN A 54 35.730 42.920 55.950 1.00 20.00 \nATOM 872 HA ASN A 54 35.360 43.880 55.590 1.00 20.00 \nATOM 873 CB ASN A 54 36.660 43.200 57.200 1.00 20.00 \nATOM 874 HB2 ASN A 54 35.990 43.130 58.060 1.00 20.00 \nATOM 875 HB3 ASN A 54 37.500 42.510 57.310 1.00 20.00 \nATOM 876 CG ASN A 54 37.240 44.600 57.280 1.00 20.00 \nATOM 877 OD1 ASN A 54 36.820 45.530 56.560 1.00 20.00 \nATOM 878 ND2 ASN A 54 38.130 44.910 58.150 1.00 20.00 \nATOM 879 HD21 ASN A 54 38.480 45.850 58.320 1.00 20.00 \nATOM 880 HD22 ASN A 54 38.460 44.100 58.650 1.00 20.00 \nATOM 881 C ASN A 54 36.530 42.420 54.680 1.00 20.00 \nATOM 882 O ASN A 54 37.520 43.060 54.350 1.00 20.00 \nATOM 883 N GLY A 55 35.930 41.440 53.980 1.00 20.00 \nATOM 884 H GLY A 55 34.980 41.210 54.220 1.00 20.00 \nATOM 885 CA GLY A 55 36.550 40.870 52.790 1.00 20.00 \nATOM 886 HA2 GLY A 55 35.750 40.730 52.070 1.00 20.00 \nATOM 887 HA3 GLY A 55 37.180 41.650 52.370 1.00 20.00 \nATOM 888 C GLY A 55 37.400 39.620 53.030 1.00 20.00 \nATOM 889 O GLY A 55 38.300 39.310 52.240 1.00 20.00 \nATOM 890 N VAL A 56 37.110 38.890 54.120 1.00 20.00 \nATOM 891 H VAL A 56 36.260 39.150 54.600 1.00 20.00 \nATOM 892 CA VAL A 56 37.660 37.580 54.460 1.00 20.00 \nATOM 893 HA VAL A 56 37.780 37.020 53.530 1.00 20.00 \nATOM 894 CB VAL A 56 38.940 37.690 55.280 1.00 20.00 \nATOM 895 HB VAL A 56 39.710 38.190 54.690 1.00 20.00 \nATOM 896 CG1 VAL A 56 38.750 38.610 56.560 1.00 20.00 \nATOM 897 HG11 VAL A 56 38.050 38.220 57.300 1.00 20.00 \nATOM 898 HG12 VAL A 56 39.720 38.790 57.020 1.00 20.00 \nATOM 899 HG13 VAL A 56 38.500 39.660 56.420 1.00 20.00 \nATOM 900 CG2 VAL A 56 39.520 36.250 55.630 1.00 20.00 \nATOM 901 HG21 VAL A 56 39.540 35.670 54.700 1.00 20.00 \nATOM 902 HG22 VAL A 56 40.590 36.370 55.800 1.00 20.00 \nATOM 903 HG23 VAL A 56 38.890 35.710 56.330 1.00 20.00 \nATOM 904 C VAL A 56 36.540 36.810 55.220 1.00 20.00 \nATOM 905 O VAL A 56 35.680 37.350 55.910 1.00 20.00 \nATOM 906 N ILE A 57 36.450 35.490 55.000 1.00 20.00 \nATOM 907 H ILE A 57 37.070 35.050 54.340 1.00 20.00 \nATOM 908 CA ILE A 57 35.540 34.600 55.770 1.00 20.00 \nATOM 909 HA ILE A 57 35.080 35.130 56.600 1.00 20.00 \nATOM 910 CB ILE A 57 34.350 34.190 54.730 1.00 20.00 \nATOM 911 HB ILE A 57 33.650 33.520 55.220 1.00 20.00 \nATOM 912 CG2 ILE A 57 33.630 35.440 54.210 1.00 20.00 \nATOM 913 HG21 ILE A 57 34.200 36.040 53.490 1.00 20.00 \nATOM 914 HG22 ILE A 57 32.610 35.240 53.900 1.00 20.00 \nATOM 915 HG23 ILE A 57 33.450 36.120 55.040 1.00 20.00 \nATOM 916 CG1 ILE A 57 34.870 33.330 53.560 1.00 20.00 \nATOM 917 HG12 ILE A 57 35.790 33.790 53.200 1.00 20.00 \nATOM 918 HG13 ILE A 57 35.200 32.340 53.880 1.00 20.00 \nATOM 919 CD1 ILE A 57 33.960 33.130 52.420 1.00 20.00 \nATOM 920 HD11 ILE A 57 33.040 32.560 52.580 1.00 20.00 \nATOM 921 HD12 ILE A 57 33.700 34.050 51.890 1.00 20.00 \nATOM 922 HD13 ILE A 57 34.520 32.490 51.740 1.00 20.00 \nATOM 923 C ILE A 57 36.190 33.390 56.380 1.00 20.00 \nATOM 924 O ILE A 57 37.290 33.050 55.990 1.00 20.00 \nATOM 925 N THR A 58 35.550 32.660 57.270 1.00 20.00 \nATOM 926 H THR A 58 34.660 33.040 57.560 1.00 20.00 \nATOM 927 CA THR A 58 35.980 31.330 57.790 1.00 20.00 \nATOM 928 HA THR A 58 37.060 31.330 57.680 1.00 20.00 \nATOM 929 CB THR A 58 35.490 31.140 59.280 1.00 20.00 \nATOM 930 HB THR A 58 36.020 30.240 59.580 1.00 20.00 \nATOM 931 CG2 THR A 58 35.810 32.280 60.180 1.00 20.00 \nATOM 932 HG21 THR A 58 36.860 32.500 59.980 1.00 20.00 \nATOM 933 HG22 THR A 58 35.050 33.050 60.020 1.00 20.00 \nATOM 934 HG23 THR A 58 35.640 31.880 61.180 1.00 20.00 \nATOM 935 OG1 THR A 58 34.110 30.970 59.200 1.00 20.00 \nATOM 936 HG1 THR A 58 33.660 31.810 59.110 1.00 20.00 \nATOM 937 C THR A 58 35.610 30.170 56.900 1.00 20.00 \nATOM 938 O THR A 58 34.680 30.160 56.140 1.00 20.00 \nATOM 939 N LYS A 59 36.340 29.050 57.000 1.00 20.00 \nATOM 940 H LYS A 59 37.130 29.040 57.620 1.00 20.00 \nATOM 941 CA LYS A 59 36.250 27.800 56.180 1.00 20.00 \nATOM 942 HA LYS A 59 36.660 28.040 55.200 1.00 20.00 \nATOM 943 CB LYS A 59 37.160 26.730 56.750 1.00 20.00 \nATOM 944 HB2 LYS A 59 36.980 26.530 57.810 1.00 20.00 \nATOM 945 HB3 LYS A 59 37.000 25.710 56.400 1.00 20.00 \nATOM 946 CG LYS A 59 38.680 26.920 56.540 1.00 20.00 \nATOM 947 HG2 LYS A 59 38.860 27.040 55.470 1.00 20.00 \nATOM 948 HG3 LYS A 59 38.890 27.820 57.130 1.00 20.00 \nATOM 949 CD LYS A 59 39.470 25.750 57.100 1.00 20.00 \nATOM 950 HD2 LYS A 59 40.470 26.190 57.110 1.00 20.00 \nATOM 951 HD3 LYS A 59 39.400 25.580 58.170 1.00 20.00 \nATOM 952 CE LYS A 59 39.380 24.450 56.280 1.00 20.00 \nATOM 953 HE2 LYS A 59 38.440 23.990 56.600 1.00 20.00 \nATOM 954 HE3 LYS A 59 39.490 24.810 55.250 1.00 20.00 \nATOM 955 NZ LYS A 59 40.450 23.530 56.580 1.00 20.00 \nATOM 956 HZ1 LYS A 59 40.620 22.790 55.920 1.00 20.00 \nATOM 957 HZ2 LYS A 59 41.370 23.930 56.510 1.00 20.00 \nATOM 958 HZ3 LYS A 59 40.350 23.060 57.470 1.00 20.00 \nATOM 959 C LYS A 59 34.850 27.280 56.020 1.00 20.00 \nATOM 960 O LYS A 59 34.420 26.950 54.910 1.00 20.00 \nATOM 961 N ASP A 60 34.110 27.280 57.100 1.00 20.00 \nATOM 962 H ASP A 60 34.520 27.690 57.930 1.00 20.00 \nATOM 963 CA ASP A 60 32.680 26.860 57.150 1.00 20.00 \nATOM 964 HA ASP A 60 32.540 25.820 56.850 1.00 20.00 \nATOM 965 CB ASP A 60 32.270 26.870 58.630 1.00 20.00 \nATOM 966 HB2 ASP A 60 32.940 26.170 59.130 1.00 20.00 \nATOM 967 HB3 ASP A 60 32.380 27.880 59.020 1.00 20.00 \nATOM 968 CG ASP A 60 30.870 26.370 58.760 1.00 20.00 \nATOM 969 OD1 ASP A 60 30.620 25.150 58.460 1.00 20.00 \nATOM 970 OD2 ASP A 60 29.930 27.140 59.130 1.00 20.00 \nATOM 971 C ASP A 60 31.780 27.780 56.310 1.00 20.00 \nATOM 972 O ASP A 60 30.740 27.320 55.780 1.00 20.00 \nATOM 973 N GLU A 61 32.050 29.110 56.320 1.00 20.00 \nATOM 974 H GLU A 61 32.840 29.380 56.890 1.00 20.00 \nATOM 975 CA GLU A 61 31.170 30.140 55.760 1.00 20.00 \nATOM 976 HA GLU A 61 30.110 29.890 55.890 1.00 20.00 \nATOM 977 CB GLU A 61 31.400 31.470 56.470 1.00 20.00 \nATOM 978 HB2 GLU A 61 32.450 31.770 56.440 1.00 20.00 \nATOM 979 HB3 GLU A 61 30.860 32.240 55.930 1.00 20.00 \nATOM 980 CG GLU A 61 30.970 31.560 57.970 1.00 20.00 \nATOM 981 HG2 GLU A 61 29.880 31.530 57.990 1.00 20.00 \nATOM 982 HG3 GLU A 61 31.400 30.770 58.590 1.00 20.00 \nATOM 983 CD GLU A 61 31.440 32.820 58.590 1.00 20.00 \nATOM 984 OE1 GLU A 61 32.610 33.180 58.380 1.00 20.00 \nATOM 985 OE2 GLU A 61 30.760 33.520 59.380 1.00 20.00 \nATOM 986 C GLU A 61 31.420 30.190 54.200 1.00 20.00 \nATOM 987 O GLU A 61 30.530 30.450 53.430 1.00 20.00 \nATOM 988 N ALA A 62 32.660 29.750 53.810 1.00 20.00 \nATOM 989 H ALA A 62 33.350 29.570 54.530 1.00 20.00 \nATOM 990 CA ALA A 62 32.970 29.430 52.370 1.00 20.00 \nATOM 991 HA ALA A 62 32.740 30.170 51.610 1.00 20.00 \nATOM 992 CB ALA A 62 34.450 29.120 52.200 1.00 20.00 \nATOM 993 HB1 ALA A 62 35.080 29.940 52.520 1.00 20.00 \nATOM 994 HB2 ALA A 62 34.710 28.230 52.770 1.00 20.00 \nATOM 995 HB3 ALA A 62 34.600 28.810 51.170 1.00 20.00 \nATOM 996 C ALA A 62 32.120 28.280 51.860 1.00 20.00 \nATOM 997 O ALA A 62 31.550 28.390 50.750 1.00 20.00 \nATOM 998 N GLU A 63 31.930 27.170 52.640 1.00 20.00 \nATOM 999 H GLU A 63 32.430 27.210 53.520 1.00 20.00 \nATOM 1000 CA GLU A 63 31.140 26.000 52.320 1.00 20.00 \nATOM 1001 HA GLU A 63 31.310 25.830 51.250 1.00 20.00 \nATOM 1002 CB GLU A 63 31.500 24.700 53.050 1.00 20.00 \nATOM 1003 HB2 GLU A 63 31.610 24.910 54.120 1.00 20.00 \nATOM 1004 HB3 GLU A 63 30.710 23.960 52.970 1.00 20.00 \nATOM 1005 CG GLU A 63 32.760 24.020 52.380 1.00 20.00 \nATOM 1006 HG2 GLU A 63 32.550 23.840 51.330 1.00 20.00 \nATOM 1007 HG3 GLU A 63 33.550 24.760 52.440 1.00 20.00 \nATOM 1008 CD GLU A 63 33.190 22.720 53.130 1.00 20.00 \nATOM 1009 OE1 GLU A 63 34.000 21.970 52.580 1.00 20.00 \nATOM 1010 OE2 GLU A 63 32.710 22.520 54.250 1.00 20.00 \nATOM 1011 C GLU A 63 29.650 26.370 52.380 1.00 20.00 \nATOM 1012 O GLU A 63 29.010 25.800 51.500 1.00 20.00 \nATOM 1013 N LYS A 64 29.200 27.100 53.430 1.00 20.00 \nATOM 1014 H LYS A 64 29.850 27.390 54.150 1.00 20.00 \nATOM 1015 CA LYS A 64 27.810 27.600 53.480 1.00 20.00 \nATOM 1016 HA LYS A 64 27.080 26.790 53.400 1.00 20.00 \nATOM 1017 CB LYS A 64 27.590 28.330 54.830 1.00 20.00 \nATOM 1018 HB2 LYS A 64 28.490 28.840 55.160 1.00 20.00 \nATOM 1019 HB3 LYS A 64 26.650 28.880 54.780 1.00 20.00 \nATOM 1020 CG LYS A 64 27.260 27.380 55.980 1.00 20.00 \nATOM 1021 HG2 LYS A 64 26.340 26.830 55.790 1.00 20.00 \nATOM 1022 HG3 LYS A 64 28.080 26.670 55.960 1.00 20.00 \nATOM 1023 CD LYS A 64 27.200 28.060 57.320 1.00 20.00 \nATOM 1024 HD2 LYS A 64 28.200 28.380 57.620 1.00 20.00 \nATOM 1025 HD3 LYS A 64 26.500 28.900 57.320 1.00 20.00 \nATOM 1026 CE LYS A 64 26.680 27.060 58.340 1.00 20.00 \nATOM 1027 HE2 LYS A 64 26.530 27.600 59.280 1.00 20.00 \nATOM 1028 HE3 LYS A 64 25.710 26.680 58.020 1.00 20.00 \nATOM 1029 NZ LYS A 64 27.620 25.860 58.570 1.00 20.00 \nATOM 1030 HZ1 LYS A 64 27.380 25.320 59.390 1.00 20.00 \nATOM 1031 HZ2 LYS A 64 27.500 25.270 57.760 1.00 20.00 \nATOM 1032 HZ3 LYS A 64 28.550 26.240 58.700 1.00 20.00 \nATOM 1033 C LYS A 64 27.510 28.490 52.240 1.00 20.00 \nATOM 1034 O LYS A 64 26.500 28.220 51.590 1.00 20.00 \nATOM 1035 N LEU A 65 28.410 29.260 51.740 1.00 20.00 \nATOM 1036 H LEU A 65 29.230 29.350 52.330 1.00 20.00 \nATOM 1037 CA LEU A 65 28.220 30.010 50.440 1.00 20.00 \nATOM 1038 HA LEU A 65 27.270 30.540 50.540 1.00 20.00 \nATOM 1039 CB LEU A 65 29.410 30.970 50.200 1.00 20.00 \nATOM 1040 HB2 LEU A 65 30.310 30.440 50.540 1.00 20.00 \nATOM 1041 HB3 LEU A 65 29.510 31.170 49.130 1.00 20.00 \nATOM 1042 CG LEU A 65 29.440 32.360 51.010 1.00 20.00 \nATOM 1043 HG LEU A 65 29.300 32.200 52.080 1.00 20.00 \nATOM 1044 CD1 LEU A 65 30.790 33.100 50.710 1.00 20.00 \nATOM 1045 HD11 LEU A 65 30.960 34.010 51.300 1.00 20.00 \nATOM 1046 HD12 LEU A 65 31.610 32.430 50.970 1.00 20.00 \nATOM 1047 HD13 LEU A 65 30.890 33.370 49.660 1.00 20.00 \nATOM 1048 CD2 LEU A 65 28.280 33.300 50.510 1.00 20.00 \nATOM 1049 HD21 LEU A 65 27.340 32.840 50.800 1.00 20.00 \nATOM 1050 HD22 LEU A 65 28.360 34.320 50.910 1.00 20.00 \nATOM 1051 HD23 LEU A 65 28.220 33.420 49.430 1.00 20.00 \nATOM 1052 C LEU A 65 28.060 29.050 49.220 1.00 20.00 \nATOM 1053 O LEU A 65 27.160 29.200 48.410 1.00 20.00 \nATOM 1054 N PHE A 66 29.000 28.060 49.090 1.00 20.00 \nATOM 1055 H PHE A 66 29.690 28.060 49.830 1.00 20.00 \nATOM 1056 CA PHE A 66 29.110 27.080 47.930 1.00 20.00 \nATOM 1057 HA PHE A 66 29.490 27.590 47.040 1.00 20.00 \nATOM 1058 CB PHE A 66 30.230 26.190 48.320 1.00 20.00 \nATOM 1059 HB2 PHE A 66 30.980 26.880 48.700 1.00 20.00 \nATOM 1060 HB3 PHE A 66 29.920 25.600 49.180 1.00 20.00 \nATOM 1061 CG PHE A 66 30.840 25.170 47.340 1.00 20.00 \nATOM 1062 CD1 PHE A 66 30.490 25.020 46.040 1.00 20.00 \nATOM 1063 HD1 PHE A 66 29.780 25.730 45.650 1.00 20.00 \nATOM 1064 CE1 PHE A 66 31.040 24.110 45.190 1.00 20.00 \nATOM 1065 HE1 PHE A 66 30.710 24.120 44.160 1.00 20.00 \nATOM 1066 CZ PHE A 66 31.910 23.130 45.720 1.00 20.00 \nATOM 1067 HZ PHE A 66 32.190 22.310 45.070 1.00 20.00 \nATOM 1068 CE2 PHE A 66 32.320 23.270 47.060 1.00 20.00 \nATOM 1069 HE2 PHE A 66 32.820 22.420 47.500 1.00 20.00 \nATOM 1070 CD2 PHE A 66 31.730 24.220 47.900 1.00 20.00 \nATOM 1071 HD2 PHE A 66 31.830 24.170 48.970 1.00 20.00 \nATOM 1072 C PHE A 66 27.850 26.310 47.680 1.00 20.00 \nATOM 1073 O PHE A 66 27.420 26.110 46.530 1.00 20.00 \nATOM 1074 N ASN A 67 27.170 25.970 48.780 1.00 20.00 \nATOM 1075 H ASN A 67 27.420 26.190 49.730 1.00 20.00 \nATOM 1076 CA ASN A 67 25.910 25.210 48.660 1.00 20.00 \nATOM 1077 HA ASN A 67 26.100 24.340 48.020 1.00 20.00 \nATOM 1078 CB ASN A 67 25.370 24.720 50.070 1.00 20.00 \nATOM 1079 HB2 ASN A 67 25.940 23.840 50.360 1.00 20.00 \nATOM 1080 HB3 ASN A 67 25.570 25.460 50.850 1.00 20.00 \nATOM 1081 CG ASN A 67 23.880 24.390 50.100 1.00 20.00 \nATOM 1082 OD1 ASN A 67 23.080 25.260 50.400 1.00 20.00 \nATOM 1083 ND2 ASN A 67 23.430 23.280 49.720 1.00 20.00 \nATOM 1084 HD21 ASN A 67 22.460 23.130 49.960 1.00 20.00 \nATOM 1085 HD22 ASN A 67 24.110 22.550 49.580 1.00 20.00 \nATOM 1086 C ASN A 67 24.820 26.010 47.930 1.00 20.00 \nATOM 1087 O ASN A 67 24.080 25.530 47.040 1.00 20.00 \nATOM 1088 N GLN A 68 24.690 27.220 48.410 1.00 20.00 \nATOM 1089 H GLN A 68 25.390 27.530 49.070 1.00 20.00 \nATOM 1090 CA GLN A 68 23.680 28.140 47.960 1.00 20.00 \nATOM 1091 HA GLN A 68 22.730 27.610 48.030 1.00 20.00 \nATOM 1092 CB GLN A 68 23.710 29.310 48.990 1.00 20.00 \nATOM 1093 HB2 GLN A 68 24.700 29.770 49.040 1.00 20.00 \nATOM 1094 HB3 GLN A 68 23.060 30.160 48.780 1.00 20.00 \nATOM 1095 CG GLN A 68 23.280 29.030 50.390 1.00 20.00 \nATOM 1096 HG2 GLN A 68 22.230 28.740 50.420 1.00 20.00 \nATOM 1097 HG3 GLN A 68 23.840 28.210 50.840 1.00 20.00 \nATOM 1098 CD GLN A 68 23.370 30.250 51.290 1.00 20.00 \nATOM 1099 OE1 GLN A 68 22.420 30.950 51.540 1.00 20.00 \nATOM 1100 NE2 GLN A 68 24.570 30.480 51.830 1.00 20.00 \nATOM 1101 HE21 GLN A 68 25.370 29.870 51.760 1.00 20.00 \nATOM 1102 HE22 GLN A 68 24.580 31.180 52.560 1.00 20.00 \nATOM 1103 C GLN A 68 23.960 28.690 46.550 1.00 20.00 \nATOM 1104 O GLN A 68 23.050 28.870 45.710 1.00 20.00 \nATOM 1105 N ASP A 69 25.230 28.770 46.140 1.00 20.00 \nATOM 1106 H ASP A 69 26.000 28.820 46.790 1.00 20.00 \nATOM 1107 CA ASP A 69 25.650 29.100 44.800 1.00 20.00 \nATOM 1108 HA ASP A 69 25.020 29.870 44.350 1.00 20.00 \nATOM 1109 CB ASP A 69 27.140 29.540 45.070 1.00 20.00 \nATOM 1110 HB2 ASP A 69 27.060 30.330 45.820 1.00 20.00 \nATOM 1111 HB3 ASP A 69 27.790 28.710 45.350 1.00 20.00 \nATOM 1112 CG ASP A 69 27.830 30.130 43.840 1.00 20.00 \nATOM 1113 OD1 ASP A 69 27.130 30.840 43.060 1.00 20.00 \nATOM 1114 OD2 ASP A 69 29.080 30.090 43.750 1.00 20.00 \nATOM 1115 C ASP A 69 25.420 27.910 43.890 1.00 20.00 \nATOM 1116 O ASP A 69 24.880 28.080 42.780 1.00 20.00 \nATOM 1117 N VAL A 70 25.700 26.620 44.280 1.00 20.00 \nATOM 1118 H VAL A 70 26.370 26.430 45.020 1.00 20.00 \nATOM 1119 CA VAL A 70 25.300 25.450 43.400 1.00 20.00 \nATOM 1120 HA VAL A 70 25.630 25.490 42.370 1.00 20.00 \nATOM 1121 CB VAL A 70 25.880 24.130 43.940 1.00 20.00 \nATOM 1122 HB VAL A 70 25.850 24.070 45.020 1.00 20.00 \nATOM 1123 CG1 VAL A 70 25.250 22.750 43.520 1.00 20.00 \nATOM 1124 HG11 VAL A 70 25.740 21.940 44.050 1.00 20.00 \nATOM 1125 HG12 VAL A 70 24.170 22.840 43.650 1.00 20.00 \nATOM 1126 HG13 VAL A 70 25.370 22.560 42.460 1.00 20.00 \nATOM 1127 CG2 VAL A 70 27.360 24.050 43.530 1.00 20.00 \nATOM 1128 HG21 VAL A 70 27.900 24.860 44.020 1.00 20.00 \nATOM 1129 HG22 VAL A 70 27.910 23.160 43.850 1.00 20.00 \nATOM 1130 HG23 VAL A 70 27.440 24.060 42.440 1.00 20.00 \nATOM 1131 C VAL A 70 23.780 25.400 43.310 1.00 20.00 \nATOM 1132 O VAL A 70 23.210 25.250 42.200 1.00 20.00 \nATOM 1133 N ASP A 71 23.010 25.570 44.340 1.00 20.00 \nATOM 1134 H ASP A 71 23.460 25.830 45.210 1.00 20.00 \nATOM 1135 CA ASP A 71 21.560 25.570 44.330 1.00 20.00 \nATOM 1136 HA ASP A 71 21.400 24.530 44.030 1.00 20.00 \nATOM 1137 CB ASP A 71 21.040 25.770 45.750 1.00 20.00 \nATOM 1138 HB2 ASP A 71 21.440 25.070 46.490 1.00 20.00 \nATOM 1139 HB3 ASP A 71 21.440 26.750 46.020 1.00 20.00 \nATOM 1140 CG ASP A 71 19.520 25.660 45.780 1.00 20.00 \nATOM 1141 OD1 ASP A 71 18.890 24.570 45.830 1.00 20.00 \nATOM 1142 OD2 ASP A 71 18.860 26.750 45.810 1.00 20.00 \nATOM 1143 C ASP A 71 20.900 26.510 43.240 1.00 20.00 \nATOM 1144 O ASP A 71 19.960 26.170 42.570 1.00 20.00 \nATOM 1145 N ALA A 72 21.570 27.660 43.050 1.00 20.00 \nATOM 1146 H ALA A 72 22.460 27.880 43.470 1.00 20.00 \nATOM 1147 CA ALA A 72 21.070 28.690 42.110 1.00 20.00 \nATOM 1148 HA ALA A 72 19.990 28.790 42.180 1.00 20.00 \nATOM 1149 CB ALA A 72 21.590 30.030 42.580 1.00 20.00 \nATOM 1150 HB1 ALA A 72 22.660 30.100 42.730 1.00 20.00 \nATOM 1151 HB2 ALA A 72 21.230 30.790 41.880 1.00 20.00 \nATOM 1152 HB3 ALA A 72 21.110 30.210 43.540 1.00 20.00 \nATOM 1153 C ALA A 72 21.600 28.300 40.640 1.00 20.00 \nATOM 1154 O ALA A 72 20.910 28.570 39.650 1.00 20.00 \nATOM 1155 N ALA A 73 22.700 27.480 40.610 1.00 20.00 \nATOM 1156 H ALA A 73 23.060 27.070 41.460 1.00 20.00 \nATOM 1157 CA ALA A 73 23.160 26.840 39.290 1.00 20.00 \nATOM 1158 HA ALA A 73 23.140 27.640 38.550 1.00 20.00 \nATOM 1159 CB ALA A 73 24.540 26.260 39.440 1.00 20.00 \nATOM 1160 HB1 ALA A 73 24.430 25.210 39.710 1.00 20.00 \nATOM 1161 HB2 ALA A 73 25.030 26.210 38.470 1.00 20.00 \nATOM 1162 HB3 ALA A 73 25.160 26.770 40.180 1.00 20.00 \nATOM 1163 C ALA A 73 22.100 25.790 38.900 1.00 20.00 \nATOM 1164 O ALA A 73 21.590 25.800 37.740 1.00 20.00 \nATOM 1165 N VAL A 74 21.640 25.000 39.860 1.00 20.00 \nATOM 1166 H VAL A 74 22.170 25.040 40.720 1.00 20.00 \nATOM 1167 CA VAL A 74 20.730 23.860 39.670 1.00 20.00 \nATOM 1168 HA VAL A 74 21.070 23.300 38.800 1.00 20.00 \nATOM 1169 CB VAL A 74 20.710 22.920 40.930 1.00 20.00 \nATOM 1170 HB VAL A 74 20.460 23.610 41.740 1.00 20.00 \nATOM 1171 CG1 VAL A 74 19.640 21.770 40.760 1.00 20.00 \nATOM 1172 HG11 VAL A 74 19.870 20.980 41.480 1.00 20.00 \nATOM 1173 HG12 VAL A 74 18.640 22.190 40.910 1.00 20.00 \nATOM 1174 HG13 VAL A 74 19.710 21.480 39.710 1.00 20.00 \nATOM 1175 CG2 VAL A 74 22.040 22.240 41.080 1.00 20.00 \nATOM 1176 HG21 VAL A 74 21.990 21.680 42.020 1.00 20.00 \nATOM 1177 HG22 VAL A 74 22.100 21.570 40.220 1.00 20.00 \nATOM 1178 HG23 VAL A 74 22.820 22.980 40.920 1.00 20.00 \nATOM 1179 C VAL A 74 19.310 24.370 39.300 1.00 20.00 \nATOM 1180 O VAL A 74 18.800 23.980 38.270 1.00 20.00 \nATOM 1181 N ARG A 75 18.690 25.220 40.140 1.00 20.00 \nATOM 1182 H ARG A 75 19.150 25.380 41.020 1.00 20.00 \nATOM 1183 CA ARG A 75 17.430 25.940 39.770 1.00 20.00 \nATOM 1184 HA ARG A 75 16.650 25.200 39.600 1.00 20.00 \nATOM 1185 CB ARG A 75 16.840 26.670 41.000 1.00 20.00 \nATOM 1186 HB2 ARG A 75 17.480 27.530 41.190 1.00 20.00 \nATOM 1187 HB3 ARG A 75 15.870 27.050 40.690 1.00 20.00 \nATOM 1188 CG ARG A 75 16.670 25.790 42.250 1.00 20.00 \nATOM 1189 HG2 ARG A 75 16.060 24.940 41.930 1.00 20.00 \nATOM 1190 HG3 ARG A 75 17.700 25.560 42.530 1.00 20.00 \nATOM 1191 CD ARG A 75 16.090 26.540 43.390 1.00 20.00 \nATOM 1192 HD2 ARG A 75 16.620 27.490 43.310 1.00 20.00 \nATOM 1193 HD3 ARG A 75 15.040 26.770 43.220 1.00 20.00 \nATOM 1194 NE ARG A 75 16.380 25.770 44.660 1.00 20.00 \nATOM 1195 HE ARG A 75 17.370 25.690 44.830 1.00 20.00 \nATOM 1196 CZ ARG A 75 15.590 24.930 45.270 1.00 20.00 \nATOM 1197 NH1 ARG A 75 14.310 24.950 45.180 1.00 20.00 \nATOM 1198 HH11 ARG A 75 13.890 25.770 44.770 1.00 20.00 \nATOM 1199 HH12 ARG A 75 13.770 24.170 45.540 1.00 20.00 \nATOM 1200 NH2 ARG A 75 16.150 24.050 46.090 1.00 20.00 \nATOM 1201 HH21 ARG A 75 17.130 24.100 46.330 1.00 20.00 \nATOM 1202 HH22 ARG A 75 15.500 23.620 46.720 1.00 20.00 \nATOM 1203 C ARG A 75 17.570 26.730 38.470 1.00 20.00 \nATOM 1204 O ARG A 75 16.720 26.620 37.630 1.00 20.00 \nATOM 1205 N GLY A 76 18.660 27.480 38.220 1.00 20.00 \nATOM 1206 H GLY A 76 19.170 27.830 39.020 1.00 20.00 \nATOM 1207 CA GLY A 76 18.960 28.130 36.930 1.00 20.00 \nATOM 1208 HA2 GLY A 76 18.300 28.990 36.830 1.00 20.00 \nATOM 1209 HA3 GLY A 76 19.950 28.580 36.910 1.00 20.00 \nATOM 1210 C GLY A 76 18.810 27.290 35.660 1.00 20.00 \nATOM 1211 O GLY A 76 18.030 27.620 34.740 1.00 20.00 \nATOM 1212 N ILE A 77 19.190 25.940 35.710 1.00 20.00 \nATOM 1213 H ILE A 77 19.590 25.630 36.580 1.00 20.00 \nATOM 1214 CA ILE A 77 18.910 25.000 34.570 1.00 20.00 \nATOM 1215 HA ILE A 77 19.100 25.520 33.630 1.00 20.00 \nATOM 1216 CB ILE A 77 19.870 23.830 34.580 1.00 20.00 \nATOM 1217 HB ILE A 77 19.830 23.400 35.580 1.00 20.00 \nATOM 1218 CG2 ILE A 77 19.380 22.810 33.500 1.00 20.00 \nATOM 1219 HG21 ILE A 77 18.660 22.120 33.940 1.00 20.00 \nATOM 1220 HG22 ILE A 77 19.210 23.180 32.500 1.00 20.00 \nATOM 1221 HG23 ILE A 77 20.120 22.090 33.170 1.00 20.00 \nATOM 1222 CG1 ILE A 77 21.320 24.200 34.350 1.00 20.00 \nATOM 1223 HG12 ILE A 77 21.480 24.520 33.320 1.00 20.00 \nATOM 1224 HG13 ILE A 77 21.550 25.010 35.050 1.00 20.00 \nATOM 1225 CD1 ILE A 77 22.270 22.970 34.590 1.00 20.00 \nATOM 1226 HD11 ILE A 77 22.640 22.690 33.600 1.00 20.00 \nATOM 1227 HD12 ILE A 77 23.080 23.330 35.220 1.00 20.00 \nATOM 1228 HD13 ILE A 77 21.710 22.170 35.070 1.00 20.00 \nATOM 1229 C ILE A 77 17.460 24.520 34.490 1.00 20.00 \nATOM 1230 O ILE A 77 16.830 24.500 33.380 1.00 20.00 \nATOM 1231 N LEU A 78 17.020 24.030 35.620 1.00 20.00 \nATOM 1232 H LEU A 78 17.540 24.120 36.480 1.00 20.00 \nATOM 1233 CA LEU A 78 15.700 23.380 35.710 1.00 20.00 \nATOM 1234 HA LEU A 78 15.760 22.480 35.110 1.00 20.00 \nATOM 1235 CB LEU A 78 15.630 22.770 37.160 1.00 20.00 \nATOM 1236 HB2 LEU A 78 15.670 23.570 37.890 1.00 20.00 \nATOM 1237 HB3 LEU A 78 14.650 22.340 37.370 1.00 20.00 \nATOM 1238 CG LEU A 78 16.600 21.630 37.580 1.00 20.00 \nATOM 1239 HG LEU A 78 17.580 21.920 37.200 1.00 20.00 \nATOM 1240 CD1 LEU A 78 16.580 21.150 39.020 1.00 20.00 \nATOM 1241 HD11 LEU A 78 16.940 22.000 39.600 1.00 20.00 \nATOM 1242 HD12 LEU A 78 15.540 20.980 39.330 1.00 20.00 \nATOM 1243 HD13 LEU A 78 17.170 20.250 39.180 1.00 20.00 \nATOM 1244 CD2 LEU A 78 16.020 20.410 36.810 1.00 20.00 \nATOM 1245 HD21 LEU A 78 15.960 20.600 35.730 1.00 20.00 \nATOM 1246 HD22 LEU A 78 16.790 19.640 36.810 1.00 20.00 \nATOM 1247 HD23 LEU A 78 15.120 19.980 37.240 1.00 20.00 \nATOM 1248 C LEU A 78 14.510 24.270 35.380 1.00 20.00 \nATOM 1249 O LEU A 78 13.380 23.770 35.300 1.00 20.00 \nATOM 1250 N ARG A 79 14.760 25.580 35.240 1.00 20.00 \nATOM 1251 H ARG A 79 15.700 25.800 35.550 1.00 20.00 \nATOM 1252 CA ARG A 79 13.820 26.660 35.200 1.00 20.00 \nATOM 1253 HA ARG A 79 12.790 26.330 35.150 1.00 20.00 \nATOM 1254 CB ARG A 79 13.760 27.570 36.390 1.00 20.00 \nATOM 1255 HB2 ARG A 79 14.760 27.840 36.720 1.00 20.00 \nATOM 1256 HB3 ARG A 79 13.390 28.570 36.160 1.00 20.00 \nATOM 1257 CG ARG A 79 13.120 27.060 37.700 1.00 20.00 \nATOM 1258 HG2 ARG A 79 12.040 26.940 37.600 1.00 20.00 \nATOM 1259 HG3 ARG A 79 13.530 26.060 37.900 1.00 20.00 \nATOM 1260 CD ARG A 79 13.340 28.070 38.850 1.00 20.00 \nATOM 1261 HD2 ARG A 79 14.380 28.370 38.970 1.00 20.00 \nATOM 1262 HD3 ARG A 79 12.760 28.930 38.490 1.00 20.00 \nATOM 1263 NE ARG A 79 12.870 27.470 40.110 1.00 20.00 \nATOM 1264 HE ARG A 79 12.150 26.760 40.080 1.00 20.00 \nATOM 1265 CZ ARG A 79 13.090 27.970 41.300 1.00 20.00 \nATOM 1266 NH1 ARG A 79 13.890 28.950 41.580 1.00 20.00 \nATOM 1267 HH11 ARG A 79 14.500 29.310 40.860 1.00 20.00 \nATOM 1268 HH12 ARG A 79 14.070 29.270 42.530 1.00 20.00 \nATOM 1269 NH2 ARG A 79 12.590 27.360 42.330 1.00 20.00 \nATOM 1270 HH21 ARG A 79 11.970 26.560 42.240 1.00 20.00 \nATOM 1271 HH22 ARG A 79 12.800 27.660 43.270 1.00 20.00 \nATOM 1272 C ARG A 79 13.940 27.530 33.900 1.00 20.00 \nATOM 1273 O ARG A 79 13.230 28.480 33.730 1.00 20.00 \nATOM 1274 N ASN A 80 14.780 27.080 32.960 1.00 20.00 \nATOM 1275 H ASN A 80 15.330 26.260 33.160 1.00 20.00 \nATOM 1276 CA ASN A 80 15.060 27.780 31.700 1.00 20.00 \nATOM 1277 HA ASN A 80 14.360 28.620 31.640 1.00 20.00 \nATOM 1278 CB ASN A 80 16.490 28.230 31.750 1.00 20.00 \nATOM 1279 HB2 ASN A 80 16.580 28.870 32.630 1.00 20.00 \nATOM 1280 HB3 ASN A 80 17.060 27.310 31.840 1.00 20.00 \nATOM 1281 CG ASN A 80 16.990 29.040 30.580 1.00 20.00 \nATOM 1282 OD1 ASN A 80 16.890 28.540 29.480 1.00 20.00 \nATOM 1283 ND2 ASN A 80 17.510 30.200 30.850 1.00 20.00 \nATOM 1284 HD21 ASN A 80 17.980 30.750 30.150 1.00 20.00 \nATOM 1285 HD22 ASN A 80 17.540 30.450 31.830 1.00 20.00 \nATOM 1286 C ASN A 80 14.720 26.860 30.520 1.00 20.00 \nATOM 1287 O ASN A 80 15.320 25.810 30.400 1.00 20.00 \nATOM 1288 N ALA A 81 13.770 27.300 29.720 1.00 20.00 \nATOM 1289 H ALA A 81 13.350 28.180 29.970 1.00 20.00 \nATOM 1290 CA ALA A 81 13.170 26.400 28.710 1.00 20.00 \nATOM 1291 HA ALA A 81 12.790 25.490 29.150 1.00 20.00 \nATOM 1292 CB ALA A 81 12.030 27.270 28.110 1.00 20.00 \nATOM 1293 HB1 ALA A 81 11.170 27.250 28.770 1.00 20.00 \nATOM 1294 HB2 ALA A 81 12.380 28.290 27.980 1.00 20.00 \nATOM 1295 HB3 ALA A 81 11.690 26.950 27.130 1.00 20.00 \nATOM 1296 C ALA A 81 14.090 26.000 27.540 1.00 20.00 \nATOM 1297 O ALA A 81 13.910 24.940 26.990 1.00 20.00 \nATOM 1298 N LYS A 82 15.120 26.790 27.310 1.00 20.00 \nATOM 1299 H LYS A 82 15.050 27.680 27.780 1.00 20.00 \nATOM 1300 CA LYS A 82 16.350 26.460 26.480 1.00 20.00 \nATOM 1301 HA LYS A 82 15.990 25.940 25.590 1.00 20.00 \nATOM 1302 CB LYS A 82 17.080 27.670 26.090 1.00 20.00 \nATOM 1303 HB2 LYS A 82 17.360 28.270 26.960 1.00 20.00 \nATOM 1304 HB3 LYS A 82 18.000 27.420 25.570 1.00 20.00 \nATOM 1305 CG LYS A 82 16.310 28.480 25.080 1.00 20.00 \nATOM 1306 HG2 LYS A 82 16.490 27.950 24.140 1.00 20.00 \nATOM 1307 HG3 LYS A 82 15.240 28.370 25.270 1.00 20.00 \nATOM 1308 CD LYS A 82 16.610 29.950 24.880 1.00 20.00 \nATOM 1309 HD2 LYS A 82 16.210 30.560 25.690 1.00 20.00 \nATOM 1310 HD3 LYS A 82 17.680 30.100 24.760 1.00 20.00 \nATOM 1311 CE LYS A 82 15.930 30.290 23.590 1.00 20.00 \nATOM 1312 HE2 LYS A 82 16.510 29.780 22.810 1.00 20.00 \nATOM 1313 HE3 LYS A 82 14.920 29.880 23.620 1.00 20.00 \nATOM 1314 NZ LYS A 82 16.090 31.700 23.330 1.00 20.00 \nATOM 1315 HZ1 LYS A 82 15.640 32.170 24.100 1.00 20.00 \nATOM 1316 HZ2 LYS A 82 17.040 32.020 23.220 1.00 20.00 \nATOM 1317 HZ3 LYS A 82 15.540 31.980 22.530 1.00 20.00 \nATOM 1318 C LYS A 82 17.260 25.430 27.020 1.00 20.00 \nATOM 1319 O LYS A 82 17.910 24.800 26.160 1.00 20.00 \nATOM 1320 N LEU A 83 17.420 25.320 28.370 1.00 20.00 \nATOM 1321 H LEU A 83 16.870 25.930 28.950 1.00 20.00 \nATOM 1322 CA LEU A 83 18.410 24.430 29.030 1.00 20.00 \nATOM 1323 HA LEU A 83 19.120 24.110 28.270 1.00 20.00 \nATOM 1324 CB LEU A 83 19.170 25.220 30.090 1.00 20.00 \nATOM 1325 HB2 LEU A 83 18.490 25.310 30.930 1.00 20.00 \nATOM 1326 HB3 LEU A 83 19.930 24.500 30.410 1.00 20.00 \nATOM 1327 CG LEU A 83 19.820 26.530 29.890 1.00 20.00 \nATOM 1328 HG LEU A 83 19.130 27.220 29.390 1.00 20.00 \nATOM 1329 CD1 LEU A 83 20.410 27.080 31.250 1.00 20.00 \nATOM 1330 HD11 LEU A 83 21.160 26.450 31.730 1.00 20.00 \nATOM 1331 HD12 LEU A 83 20.710 28.120 31.230 1.00 20.00 \nATOM 1332 HD13 LEU A 83 19.650 26.870 32.010 1.00 20.00 \nATOM 1333 CD2 LEU A 83 20.980 26.410 28.870 1.00 20.00 \nATOM 1334 HD21 LEU A 83 20.640 25.790 28.040 1.00 20.00 \nATOM 1335 HD22 LEU A 83 21.390 27.360 28.550 1.00 20.00 \nATOM 1336 HD23 LEU A 83 21.740 25.720 29.240 1.00 20.00 \nATOM 1337 C LEU A 83 17.810 23.130 29.590 1.00 20.00 \nATOM 1338 O LEU A 83 18.410 22.070 29.420 1.00 20.00 \nATOM 1339 N LYS A 84 16.620 23.210 30.180 1.00 20.00 \nATOM 1340 H LYS A 84 16.300 24.150 30.340 1.00 20.00 \nATOM 1341 CA LYS A 84 15.900 22.110 30.870 1.00 20.00 \nATOM 1342 HA LYS A 84 16.530 21.710 31.670 1.00 20.00 \nATOM 1343 CB LYS A 84 14.700 22.690 31.580 1.00 20.00 \nATOM 1344 HB2 LYS A 84 14.570 22.050 32.450 1.00 20.00 \nATOM 1345 HB3 LYS A 84 14.970 23.680 31.950 1.00 20.00 \nATOM 1346 CG LYS A 84 13.320 22.760 30.950 1.00 20.00 \nATOM 1347 HG2 LYS A 84 13.320 23.240 29.970 1.00 20.00 \nATOM 1348 HG3 LYS A 84 12.960 21.740 30.840 1.00 20.00 \nATOM 1349 CD LYS A 84 12.510 23.540 32.030 1.00 20.00 \nATOM 1350 HD2 LYS A 84 12.590 23.080 33.010 1.00 20.00 \nATOM 1351 HD3 LYS A 84 12.760 24.600 31.990 1.00 20.00 \nATOM 1352 CE LYS A 84 10.990 23.440 31.620 1.00 20.00 \nATOM 1353 HE2 LYS A 84 10.540 24.420 31.780 1.00 20.00 \nATOM 1354 HE3 LYS A 84 10.960 23.370 30.530 1.00 20.00 \nATOM 1355 NZ LYS A 84 10.290 22.290 32.230 1.00 20.00 \nATOM 1356 HZ1 LYS A 84 10.440 22.190 33.230 1.00 20.00 \nATOM 1357 HZ2 LYS A 84 9.310 22.510 32.090 1.00 20.00 \nATOM 1358 HZ3 LYS A 84 10.380 21.380 31.810 1.00 20.00 \nATOM 1359 C LYS A 84 15.540 20.870 30.030 1.00 20.00 \nATOM 1360 O LYS A 84 15.680 19.730 30.540 1.00 20.00 \nATOM 1361 N PRO A 85 15.140 20.930 28.720 1.00 20.00 \nATOM 1362 CD PRO A 85 14.910 22.100 27.830 1.00 20.00 \nATOM 1363 HD2 PRO A 85 15.720 22.830 27.780 1.00 20.00 \nATOM 1364 HD3 PRO A 85 13.950 22.560 28.090 1.00 20.00 \nATOM 1365 CG PRO A 85 14.730 21.510 26.450 1.00 20.00 \nATOM 1366 HG2 PRO A 85 15.590 21.530 25.780 1.00 20.00 \nATOM 1367 HG3 PRO A 85 13.930 22.050 25.940 1.00 20.00 \nATOM 1368 CB PRO A 85 14.220 20.060 26.700 1.00 20.00 \nATOM 1369 HB2 PRO A 85 14.470 19.360 25.910 1.00 20.00 \nATOM 1370 HB3 PRO A 85 13.160 20.110 26.930 1.00 20.00 \nATOM 1371 CA PRO A 85 14.990 19.610 27.930 1.00 20.00 \nATOM 1372 HA PRO A 85 14.380 18.910 28.490 1.00 20.00 \nATOM 1373 C PRO A 85 16.370 18.970 27.500 1.00 20.00 \nATOM 1374 O PRO A 85 16.390 17.760 27.250 1.00 20.00 \nATOM 1375 N VAL A 86 17.500 19.780 27.360 1.00 20.00 \nATOM 1376 H VAL A 86 17.370 20.750 27.590 1.00 20.00 \nATOM 1377 CA VAL A 86 18.870 19.290 27.030 1.00 20.00 \nATOM 1378 HA VAL A 86 18.830 18.630 26.170 1.00 20.00 \nATOM 1379 CB VAL A 86 19.830 20.450 26.780 1.00 20.00 \nATOM 1380 HB VAL A 86 20.020 21.140 27.600 1.00 20.00 \nATOM 1381 CG1 VAL A 86 21.170 19.810 26.360 1.00 20.00 \nATOM 1382 HG11 VAL A 86 21.620 19.100 27.050 1.00 20.00 \nATOM 1383 HG12 VAL A 86 21.010 19.250 25.440 1.00 20.00 \nATOM 1384 HG13 VAL A 86 21.820 20.650 26.100 1.00 20.00 \nATOM 1385 CG2 VAL A 86 19.210 21.280 25.690 1.00 20.00 \nATOM 1386 HG21 VAL A 86 18.150 21.530 25.770 1.00 20.00 \nATOM 1387 HG22 VAL A 86 19.740 22.220 25.560 1.00 20.00 \nATOM 1388 HG23 VAL A 86 19.350 20.670 24.790 1.00 20.00 \nATOM 1389 C VAL A 86 19.220 18.460 28.320 1.00 20.00 \nATOM 1390 O VAL A 86 19.480 17.250 28.270 1.00 20.00 \nATOM 1391 N TYR A 87 19.170 19.050 29.500 1.00 20.00 \nATOM 1392 H TYR A 87 18.850 20.010 29.490 1.00 20.00 \nATOM 1393 CA TYR A 87 19.470 18.440 30.800 1.00 20.00 \nATOM 1394 HA TYR A 87 20.500 18.090 30.720 1.00 20.00 \nATOM 1395 CB TYR A 87 19.330 19.540 31.860 1.00 20.00 \nATOM 1396 HB2 TYR A 87 19.930 20.390 31.520 1.00 20.00 \nATOM 1397 HB3 TYR A 87 18.320 19.930 31.810 1.00 20.00 \nATOM 1398 CG TYR A 87 19.720 19.250 33.300 1.00 20.00 \nATOM 1399 CD1 TYR A 87 21.030 19.550 33.810 1.00 20.00 \nATOM 1400 HD1 TYR A 87 21.800 19.970 33.170 1.00 20.00 \nATOM 1401 CE1 TYR A 87 21.340 19.360 35.180 1.00 20.00 \nATOM 1402 HE1 TYR A 87 22.330 19.560 35.560 1.00 20.00 \nATOM 1403 CZ TYR A 87 20.290 18.730 35.980 1.00 20.00 \nATOM 1404 OH TYR A 87 20.560 18.430 37.250 1.00 20.00 \nATOM 1405 HH TYR A 87 19.820 17.980 37.670 1.00 20.00 \nATOM 1406 CE2 TYR A 87 19.000 18.430 35.460 1.00 20.00 \nATOM 1407 HE2 TYR A 87 18.240 17.960 36.070 1.00 20.00 \nATOM 1408 CD2 TYR A 87 18.680 18.740 34.110 1.00 20.00 \nATOM 1409 HD2 TYR A 87 17.750 18.480 33.620 1.00 20.00 \nATOM 1410 C TYR A 87 18.670 17.230 31.170 1.00 20.00 \nATOM 1411 O TYR A 87 19.200 16.140 31.390 1.00 20.00 \nATOM 1412 N ASP A 88 17.360 17.320 30.950 1.00 20.00 \nATOM 1413 H ASP A 88 16.970 18.230 30.740 1.00 20.00 \nATOM 1414 CA ASP A 88 16.400 16.200 30.930 1.00 20.00 \nATOM 1415 HA ASP A 88 16.370 15.840 31.960 1.00 20.00 \nATOM 1416 CB ASP A 88 15.050 16.650 30.450 1.00 20.00 \nATOM 1417 HB2 ASP A 88 14.620 17.370 31.150 1.00 20.00 \nATOM 1418 HB3 ASP A 88 15.110 17.110 29.460 1.00 20.00 \nATOM 1419 CG ASP A 88 14.070 15.430 30.410 1.00 20.00 \nATOM 1420 OD1 ASP A 88 13.810 14.780 31.470 1.00 20.00 \nATOM 1421 OD2 ASP A 88 13.560 15.120 29.300 1.00 20.00 \nATOM 1422 C ASP A 88 16.900 14.930 30.040 1.00 20.00 \nATOM 1423 O ASP A 88 16.680 13.800 30.510 1.00 20.00 \nATOM 1424 N SER A 89 17.400 15.160 28.830 1.00 20.00 \nATOM 1425 H SER A 89 17.400 16.100 28.440 1.00 20.00 \nATOM 1426 CA SER A 89 17.930 14.140 27.960 1.00 20.00 \nATOM 1427 HA SER A 89 17.280 13.270 28.080 1.00 20.00 \nATOM 1428 CB SER A 89 17.900 14.570 26.490 1.00 20.00 \nATOM 1429 HB2 SER A 89 18.330 13.670 26.070 1.00 20.00 \nATOM 1430 HB3 SER A 89 16.890 14.830 26.160 1.00 20.00 \nATOM 1431 OG SER A 89 18.830 15.620 26.270 1.00 20.00 \nATOM 1432 HG SER A 89 18.730 16.230 27.000 1.00 20.00 \nATOM 1433 C SER A 89 19.290 13.640 28.480 1.00 20.00 \nATOM 1434 O SER A 89 19.600 12.460 28.230 1.00 20.00 \nATOM 1435 N LEU A 90 20.090 14.540 29.110 1.00 20.00 \nATOM 1436 H LEU A 90 19.830 15.510 29.170 1.00 20.00 \nATOM 1437 CA LEU A 90 21.370 14.090 29.620 1.00 20.00 \nATOM 1438 HA LEU A 90 21.870 13.480 28.870 1.00 20.00 \nATOM 1439 CB LEU A 90 22.160 15.400 29.860 1.00 20.00 \nATOM 1440 HB2 LEU A 90 21.680 16.180 30.440 1.00 20.00 \nATOM 1441 HB3 LEU A 90 23.040 15.010 30.390 1.00 20.00 \nATOM 1442 CG LEU A 90 22.720 16.090 28.570 1.00 20.00 \nATOM 1443 HG LEU A 90 21.830 16.220 27.950 1.00 20.00 \nATOM 1444 CD1 LEU A 90 23.480 17.340 28.980 1.00 20.00 \nATOM 1445 HD11 LEU A 90 23.820 17.860 28.080 1.00 20.00 \nATOM 1446 HD12 LEU A 90 22.740 18.030 29.380 1.00 20.00 \nATOM 1447 HD13 LEU A 90 24.210 17.240 29.780 1.00 20.00 \nATOM 1448 CD2 LEU A 90 23.770 15.270 27.820 1.00 20.00 \nATOM 1449 HD21 LEU A 90 24.260 15.900 27.080 1.00 20.00 \nATOM 1450 HD22 LEU A 90 24.450 14.770 28.510 1.00 20.00 \nATOM 1451 HD23 LEU A 90 23.250 14.580 27.160 1.00 20.00 \nATOM 1452 C LEU A 90 21.210 13.150 30.860 1.00 20.00 \nATOM 1453 O LEU A 90 20.110 13.120 31.480 1.00 20.00 \nATOM 1454 N ASP A 91 22.320 12.480 31.150 1.00 20.00 \nATOM 1455 H ASP A 91 23.100 12.650 30.540 1.00 20.00 \nATOM 1456 CA ASP A 91 22.540 11.580 32.260 1.00 20.00 \nATOM 1457 HA ASP A 91 21.640 11.360 32.820 1.00 20.00 \nATOM 1458 CB ASP A 91 23.290 10.340 31.850 1.00 20.00 \nATOM 1459 HB2 ASP A 91 23.600 9.680 32.660 1.00 20.00 \nATOM 1460 HB3 ASP A 91 22.650 9.660 31.280 1.00 20.00 \nATOM 1461 CG ASP A 91 24.600 10.600 31.030 1.00 20.00 \nATOM 1462 OD1 ASP A 91 24.590 10.970 29.850 1.00 20.00 \nATOM 1463 OD2 ASP A 91 25.690 10.460 31.630 1.00 20.00 \nATOM 1464 C ASP A 91 23.360 12.240 33.420 1.00 20.00 \nATOM 1465 O ASP A 91 24.050 13.190 33.160 1.00 20.00 \nATOM 1466 N ALA A 92 23.260 11.850 34.670 1.00 20.00 \nATOM 1467 H ALA A 92 22.550 11.150 34.870 1.00 20.00 \nATOM 1468 CA ALA A 92 23.620 12.520 35.870 1.00 20.00 \nATOM 1469 HA ALA A 92 22.910 13.320 36.080 1.00 20.00 \nATOM 1470 CB ALA A 92 23.520 11.670 37.130 1.00 20.00 \nATOM 1471 HB1 ALA A 92 23.560 12.160 38.100 1.00 20.00 \nATOM 1472 HB2 ALA A 92 22.610 11.070 37.090 1.00 20.00 \nATOM 1473 HB3 ALA A 92 24.390 11.010 37.140 1.00 20.00 \nATOM 1474 C ALA A 92 24.980 13.180 35.910 1.00 20.00 \nATOM 1475 O ALA A 92 25.070 14.350 36.360 1.00 20.00 \nATOM 1476 N VAL A 93 26.030 12.500 35.390 1.00 20.00 \nATOM 1477 H VAL A 93 25.790 11.590 35.020 1.00 20.00 \nATOM 1478 CA VAL A 93 27.360 13.020 35.230 1.00 20.00 \nATOM 1479 HA VAL A 93 27.550 13.580 36.150 1.00 20.00 \nATOM 1480 CB VAL A 93 28.520 11.920 35.150 1.00 20.00 \nATOM 1481 HB VAL A 93 28.420 11.360 34.220 1.00 20.00 \nATOM 1482 CG1 VAL A 93 29.910 12.580 35.200 1.00 20.00 \nATOM 1483 HG11 VAL A 93 30.070 13.130 34.270 1.00 20.00 \nATOM 1484 HG12 VAL A 93 29.910 13.270 36.040 1.00 20.00 \nATOM 1485 HG13 VAL A 93 30.760 11.890 35.170 1.00 20.00 \nATOM 1486 CG2 VAL A 93 28.340 10.940 36.240 1.00 20.00 \nATOM 1487 HG21 VAL A 93 29.240 10.340 36.130 1.00 20.00 \nATOM 1488 HG22 VAL A 93 28.310 11.410 37.230 1.00 20.00 \nATOM 1489 HG23 VAL A 93 27.450 10.330 36.100 1.00 20.00 \nATOM 1490 C VAL A 93 27.460 13.980 34.050 1.00 20.00 \nATOM 1491 O VAL A 93 28.170 14.960 34.210 1.00 20.00 \nATOM 1492 N ARG A 94 26.790 13.800 32.850 1.00 20.00 \nATOM 1493 H ARG A 94 26.030 13.140 32.770 1.00 20.00 \nATOM 1494 CA ARG A 94 26.720 14.870 31.900 1.00 20.00 \nATOM 1495 HA ARG A 94 27.710 15.260 31.700 1.00 20.00 \nATOM 1496 CB ARG A 94 26.310 14.360 30.550 1.00 20.00 \nATOM 1497 HB2 ARG A 94 25.360 13.850 30.740 1.00 20.00 \nATOM 1498 HB3 ARG A 94 26.100 15.190 29.870 1.00 20.00 \nATOM 1499 CG ARG A 94 27.260 13.270 29.940 1.00 20.00 \nATOM 1500 HG2 ARG A 94 28.270 13.660 29.970 1.00 20.00 \nATOM 1501 HG3 ARG A 94 27.160 12.260 30.340 1.00 20.00 \nATOM 1502 CD ARG A 94 26.830 13.120 28.470 1.00 20.00 \nATOM 1503 HD2 ARG A 94 25.780 12.840 28.380 1.00 20.00 \nATOM 1504 HD3 ARG A 94 26.960 14.090 27.990 1.00 20.00 \nATOM 1505 NE ARG A 94 27.630 12.150 27.750 1.00 20.00 \nATOM 1506 HE ARG A 94 28.430 12.530 27.260 1.00 20.00 \nATOM 1507 CZ ARG A 94 27.570 10.790 27.780 1.00 20.00 \nATOM 1508 NH1 ARG A 94 26.840 10.210 28.710 1.00 20.00 \nATOM 1509 HH11 ARG A 94 26.210 10.820 29.200 1.00 20.00 \nATOM 1510 HH12 ARG A 94 26.880 9.210 28.870 1.00 20.00 \nATOM 1511 NH2 ARG A 94 28.310 9.970 27.070 1.00 20.00 \nATOM 1512 HH21 ARG A 94 28.970 10.350 26.410 1.00 20.00 \nATOM 1513 HH22 ARG A 94 28.330 8.960 27.190 1.00 20.00 \nATOM 1514 C ARG A 94 25.890 16.070 32.370 1.00 20.00 \nATOM 1515 O ARG A 94 26.140 17.200 31.970 1.00 20.00 \nATOM 1516 N ARG A 95 24.950 15.850 33.240 1.00 20.00 \nATOM 1517 H ARG A 95 24.840 14.860 33.420 1.00 20.00 \nATOM 1518 CA ARG A 95 24.230 16.940 33.900 1.00 20.00 \nATOM 1519 HA ARG A 95 23.790 17.550 33.110 1.00 20.00 \nATOM 1520 CB ARG A 95 23.030 16.270 34.730 1.00 20.00 \nATOM 1521 HB2 ARG A 95 23.420 15.450 35.320 1.00 20.00 \nATOM 1522 HB3 ARG A 95 22.660 16.940 35.500 1.00 20.00 \nATOM 1523 CG ARG A 95 21.830 15.770 33.890 1.00 20.00 \nATOM 1524 HG2 ARG A 95 21.430 16.660 33.410 1.00 20.00 \nATOM 1525 HG3 ARG A 95 22.170 15.020 33.170 1.00 20.00 \nATOM 1526 CD ARG A 95 20.600 15.220 34.630 1.00 20.00 \nATOM 1527 HD2 ARG A 95 20.960 14.520 35.380 1.00 20.00 \nATOM 1528 HD3 ARG A 95 20.180 16.010 35.250 1.00 20.00 \nATOM 1529 NE ARG A 95 19.560 14.580 33.810 1.00 20.00 \nATOM 1530 HE ARG A 95 19.600 14.540 32.800 1.00 20.00 \nATOM 1531 CZ ARG A 95 18.370 14.060 34.310 1.00 20.00 \nATOM 1532 NH1 ARG A 95 17.970 14.290 35.510 1.00 20.00 \nATOM 1533 HH11 ARG A 95 18.570 14.710 36.210 1.00 20.00 \nATOM 1534 HH12 ARG A 95 17.070 13.970 35.840 1.00 20.00 \nATOM 1535 NH2 ARG A 95 17.430 13.500 33.520 1.00 20.00 \nATOM 1536 HH21 ARG A 95 17.600 13.340 32.530 1.00 20.00 \nATOM 1537 HH22 ARG A 95 16.560 13.240 33.940 1.00 20.00 \nATOM 1538 C ARG A 95 25.070 17.780 34.720 1.00 20.00 \nATOM 1539 O ARG A 95 24.920 18.960 34.690 1.00 20.00 \nATOM 1540 N CYS A 96 26.070 17.180 35.380 1.00 20.00 \nATOM 1541 H CYS A 96 26.070 16.170 35.450 1.00 20.00 \nATOM 1542 CA CYS A 96 27.000 17.840 36.220 1.00 20.00 \nATOM 1543 HA CYS A 96 26.380 18.530 36.790 1.00 20.00 \nATOM 1544 CB CYS A 96 27.700 16.840 37.170 1.00 20.00 \nATOM 1545 HB2 CYS A 96 28.280 16.020 36.750 1.00 20.00 \nATOM 1546 HB3 CYS A 96 28.540 17.350 37.660 1.00 20.00 \nATOM 1547 SG CYS A 96 26.520 16.140 38.330 1.00 20.00 \nATOM 1548 HG CYS A 96 25.870 15.340 37.470 1.00 20.00 \nATOM 1549 C CYS A 96 28.110 18.640 35.520 1.00 20.00 \nATOM 1550 O CYS A 96 28.410 19.740 35.900 1.00 20.00 \nATOM 1551 N ALA A 97 28.580 18.150 34.380 1.00 20.00 \nATOM 1552 H ALA A 97 28.360 17.250 33.980 1.00 20.00 \nATOM 1553 CA ALA A 97 29.340 18.990 33.360 1.00 20.00 \nATOM 1554 HA ALA A 97 30.320 19.330 33.700 1.00 20.00 \nATOM 1555 CB ALA A 97 29.650 18.110 32.230 1.00 20.00 \nATOM 1556 HB1 ALA A 97 29.900 18.710 31.350 1.00 20.00 \nATOM 1557 HB2 ALA A 97 30.410 17.390 32.520 1.00 20.00 \nATOM 1558 HB3 ALA A 97 28.720 17.560 32.110 1.00 20.00 \nATOM 1559 C ALA A 97 28.570 20.220 32.910 1.00 20.00 \nATOM 1560 O ALA A 97 29.070 21.300 32.730 1.00 20.00 \nATOM 1561 N ALA A 98 27.260 20.030 32.800 1.00 20.00 \nATOM 1562 H ALA A 98 26.960 19.080 32.700 1.00 20.00 \nATOM 1563 CA ALA A 98 26.370 21.130 32.450 1.00 20.00 \nATOM 1564 HA ALA A 98 26.920 21.540 31.610 1.00 20.00 \nATOM 1565 CB ALA A 98 25.060 20.620 32.090 1.00 20.00 \nATOM 1566 HB1 ALA A 98 24.450 21.400 31.620 1.00 20.00 \nATOM 1567 HB2 ALA A 98 25.020 20.060 31.160 1.00 20.00 \nATOM 1568 HB3 ALA A 98 24.490 20.040 32.820 1.00 20.00 \nATOM 1569 C ALA A 98 26.230 22.150 33.620 1.00 20.00 \nATOM 1570 O ALA A 98 26.210 23.370 33.350 1.00 20.00 \nATOM 1571 N ILE A 99 26.130 21.640 34.900 1.00 20.00 \nATOM 1572 H ILE A 99 26.130 20.630 34.970 1.00 20.00 \nATOM 1573 CA ILE A 99 26.030 22.550 36.070 1.00 20.00 \nATOM 1574 HA ILE A 99 25.230 23.280 35.950 1.00 20.00 \nATOM 1575 CB ILE A 99 25.800 21.740 37.350 1.00 20.00 \nATOM 1576 HB ILE A 99 26.470 20.880 37.340 1.00 20.00 \nATOM 1577 CG2 ILE A 99 26.060 22.560 38.580 1.00 20.00 \nATOM 1578 HG21 ILE A 99 26.160 21.960 39.480 1.00 20.00 \nATOM 1579 HG22 ILE A 99 27.000 23.110 38.480 1.00 20.00 \nATOM 1580 HG23 ILE A 99 25.400 23.420 38.720 1.00 20.00 \nATOM 1581 CG1 ILE A 99 24.290 21.280 37.400 1.00 20.00 \nATOM 1582 HG12 ILE A 99 23.730 22.160 37.680 1.00 20.00 \nATOM 1583 HG13 ILE A 99 24.020 20.800 36.450 1.00 20.00 \nATOM 1584 CD1 ILE A 99 24.130 20.200 38.460 1.00 20.00 \nATOM 1585 HD11 ILE A 99 23.250 19.560 38.380 1.00 20.00 \nATOM 1586 HD12 ILE A 99 24.990 19.540 38.520 1.00 20.00 \nATOM 1587 HD13 ILE A 99 24.090 20.620 39.470 1.00 20.00 \nATOM 1588 C ILE A 99 27.340 23.420 36.080 1.00 20.00 \nATOM 1589 O ILE A 99 27.250 24.650 36.380 1.00 20.00 \nATOM 1590 N ASN A 100 28.490 22.840 35.710 1.00 20.00 \nATOM 1591 H ASN A 100 28.420 21.830 35.660 1.00 20.00 \nATOM 1592 CA ASN A 100 29.850 23.490 35.720 1.00 20.00 \nATOM 1593 HA ASN A 100 30.080 23.840 36.730 1.00 20.00 \nATOM 1594 CB ASN A 100 30.910 22.470 35.290 1.00 20.00 \nATOM 1595 HB2 ASN A 100 30.760 21.520 35.800 1.00 20.00 \nATOM 1596 HB3 ASN A 100 30.810 22.390 34.210 1.00 20.00 \nATOM 1597 CG ASN A 100 32.330 22.890 35.680 1.00 20.00 \nATOM 1598 OD1 ASN A 100 32.680 24.030 35.550 1.00 20.00 \nATOM 1599 ND2 ASN A 100 33.180 22.010 36.250 1.00 20.00 \nATOM 1600 HD21 ASN A 100 34.170 22.160 36.330 1.00 20.00 \nATOM 1601 HD22 ASN A 100 32.860 21.080 36.500 1.00 20.00 \nATOM 1602 C ASN A 100 29.860 24.740 34.880 1.00 20.00 \nATOM 1603 O ASN A 100 30.130 25.810 35.450 1.00 20.00 \nATOM 1604 N MET A 101 29.320 24.740 33.640 1.00 20.00 \nATOM 1605 H MET A 101 28.910 23.870 33.310 1.00 20.00 \nATOM 1606 CA MET A 101 29.270 25.940 32.780 1.00 20.00 \nATOM 1607 HA MET A 101 30.270 26.350 32.720 1.00 20.00 \nATOM 1608 CB MET A 101 28.880 25.410 31.450 1.00 20.00 \nATOM 1609 HB2 MET A 101 27.870 25.010 31.450 1.00 20.00 \nATOM 1610 HB3 MET A 101 28.840 26.240 30.760 1.00 20.00 \nATOM 1611 CG MET A 101 29.800 24.370 30.870 1.00 20.00 \nATOM 1612 HG2 MET A 101 30.820 24.760 30.880 1.00 20.00 \nATOM 1613 HG3 MET A 101 29.860 23.440 31.450 1.00 20.00 \nATOM 1614 SD MET A 101 29.480 23.850 29.200 1.00 20.00 \nATOM 1615 CE MET A 101 29.790 25.380 28.260 1.00 20.00 \nATOM 1616 HE1 MET A 101 29.490 25.260 27.220 1.00 20.00 \nATOM 1617 HE2 MET A 101 29.180 26.180 28.690 1.00 20.00 \nATOM 1618 HE3 MET A 101 30.830 25.710 28.310 1.00 20.00 \nATOM 1619 C MET A 101 28.200 27.010 33.230 1.00 20.00 \nATOM 1620 O MET A 101 28.420 28.170 32.980 1.00 20.00 \nATOM 1621 N VAL A 102 27.160 26.650 34.020 1.00 20.00 \nATOM 1622 H VAL A 102 27.070 25.660 34.200 1.00 20.00 \nATOM 1623 CA VAL A 102 26.130 27.560 34.610 1.00 20.00 \nATOM 1624 HA VAL A 102 25.940 28.360 33.900 1.00 20.00 \nATOM 1625 CB VAL A 102 24.770 26.750 34.650 1.00 20.00 \nATOM 1626 HB VAL A 102 24.970 25.730 34.980 1.00 20.00 \nATOM 1627 CG1 VAL A 102 23.650 27.390 35.440 1.00 20.00 \nATOM 1628 HG11 VAL A 102 22.670 27.230 34.980 1.00 20.00 \nATOM 1629 HG12 VAL A 102 23.620 26.990 36.450 1.00 20.00 \nATOM 1630 HG13 VAL A 102 23.850 28.460 35.430 1.00 20.00 \nATOM 1631 CG2 VAL A 102 24.260 26.760 33.160 1.00 20.00 \nATOM 1632 HG21 VAL A 102 24.180 27.810 32.850 1.00 20.00 \nATOM 1633 HG22 VAL A 102 25.050 26.260 32.610 1.00 20.00 \nATOM 1634 HG23 VAL A 102 23.280 26.300 33.010 1.00 20.00 \nATOM 1635 C VAL A 102 26.600 28.190 35.940 1.00 20.00 \nATOM 1636 O VAL A 102 26.240 29.270 36.350 1.00 20.00 \nATOM 1637 N PHE A 103 27.610 27.560 36.580 1.00 20.00 \nATOM 1638 H PHE A 103 27.700 26.590 36.330 1.00 20.00 \nATOM 1639 CA PHE A 103 28.320 27.990 37.740 1.00 20.00 \nATOM 1640 HA PHE A 103 27.540 28.500 38.310 1.00 20.00 \nATOM 1641 CB PHE A 103 28.680 26.740 38.580 1.00 20.00 \nATOM 1642 HB2 PHE A 103 27.790 26.110 38.650 1.00 20.00 \nATOM 1643 HB3 PHE A 103 29.440 26.120 38.110 1.00 20.00 \nATOM 1644 CG PHE A 103 29.150 26.980 39.990 1.00 20.00 \nATOM 1645 CD1 PHE A 103 30.560 27.180 40.110 1.00 20.00 \nATOM 1646 HD1 PHE A 103 31.120 27.410 39.210 1.00 20.00 \nATOM 1647 CE1 PHE A 103 31.110 27.280 41.380 1.00 20.00 \nATOM 1648 HE1 PHE A 103 32.170 27.460 41.520 1.00 20.00 \nATOM 1649 CZ PHE A 103 30.260 27.300 42.520 1.00 20.00 \nATOM 1650 HZ PHE A 103 30.690 27.460 43.500 1.00 20.00 \nATOM 1651 CE2 PHE A 103 28.910 27.200 42.400 1.00 20.00 \nATOM 1652 HE2 PHE A 103 28.250 27.270 43.250 1.00 20.00 \nATOM 1653 CD2 PHE A 103 28.310 26.970 41.110 1.00 20.00 \nATOM 1654 HD2 PHE A 103 27.280 26.820 40.840 1.00 20.00 \nATOM 1655 C PHE A 103 29.540 28.950 37.350 1.00 20.00 \nATOM 1656 O PHE A 103 29.990 29.750 38.110 1.00 20.00 \nATOM 1657 N GLN A 104 30.100 28.750 36.130 1.00 20.00 \nATOM 1658 H GLN A 104 29.770 27.990 35.560 1.00 20.00 \nATOM 1659 CA GLN A 104 31.180 29.600 35.510 1.00 20.00 \nATOM 1660 HA GLN A 104 31.770 30.060 36.300 1.00 20.00 \nATOM 1661 CB GLN A 104 32.190 28.780 34.680 1.00 20.00 \nATOM 1662 HB2 GLN A 104 32.450 27.960 35.350 1.00 20.00 \nATOM 1663 HB3 GLN A 104 31.680 28.350 33.820 1.00 20.00 \nATOM 1664 CG GLN A 104 33.420 29.480 34.250 1.00 20.00 \nATOM 1665 HG2 GLN A 104 33.170 30.230 33.500 1.00 20.00 \nATOM 1666 HG3 GLN A 104 33.830 29.930 35.160 1.00 20.00 \nATOM 1667 CD GLN A 104 34.560 28.670 33.570 1.00 20.00 \nATOM 1668 OE1 GLN A 104 34.360 27.510 33.240 1.00 20.00 \nATOM 1669 NE2 GLN A 104 35.670 29.220 33.280 1.00 20.00 \nATOM 1670 HE21 GLN A 104 35.900 30.150 33.620 1.00 20.00 \nATOM 1671 HE22 GLN A 104 36.400 28.620 32.930 1.00 20.00 \nATOM 1672 C GLN A 104 30.630 30.840 34.790 1.00 20.00 \nATOM 1673 O GLN A 104 31.210 31.930 34.920 1.00 20.00 \nATOM 1674 N MET A 105 29.580 30.680 33.930 1.00 20.00 \nATOM 1675 H MET A 105 29.150 29.760 33.920 1.00 20.00 \nATOM 1676 CA MET A 105 29.080 31.730 33.030 1.00 20.00 \nATOM 1677 HA MET A 105 29.670 32.640 33.120 1.00 20.00 \nATOM 1678 CB MET A 105 29.360 31.190 31.520 1.00 20.00 \nATOM 1679 HB2 MET A 105 28.900 30.200 31.430 1.00 20.00 \nATOM 1680 HB3 MET A 105 28.960 31.780 30.690 1.00 20.00 \nATOM 1681 CG MET A 105 30.820 30.970 31.290 1.00 20.00 \nATOM 1682 HG2 MET A 105 31.360 31.910 31.410 1.00 20.00 \nATOM 1683 HG3 MET A 105 31.160 30.170 31.950 1.00 20.00 \nATOM 1684 SD MET A 105 31.240 30.410 29.580 1.00 20.00 \nATOM 1685 CE MET A 105 31.010 28.660 29.660 1.00 20.00 \nATOM 1686 HE1 MET A 105 31.770 28.240 30.320 1.00 20.00 \nATOM 1687 HE2 MET A 105 30.050 28.500 30.150 1.00 20.00 \nATOM 1688 HE3 MET A 105 31.070 28.030 28.770 1.00 20.00 \nATOM 1689 C MET A 105 27.600 32.130 33.280 1.00 20.00 \nATOM 1690 O MET A 105 27.090 33.010 32.560 1.00 20.00 \nATOM 1691 N GLY A 106 26.910 31.690 34.330 1.00 20.00 \nATOM 1692 H GLY A 106 27.320 30.940 34.860 1.00 20.00 \nATOM 1693 CA GLY A 106 25.460 31.860 34.570 1.00 20.00 \nATOM 1694 HA2 GLY A 106 25.180 31.630 35.600 1.00 20.00 \nATOM 1695 HA3 GLY A 106 25.010 32.850 34.470 1.00 20.00 \nATOM 1696 C GLY A 106 24.610 30.910 33.700 1.00 20.00 \nATOM 1697 O GLY A 106 25.130 30.280 32.760 1.00 20.00 \nATOM 1698 N GLU A 107 23.380 30.880 33.980 1.00 20.00 \nATOM 1699 H GLU A 107 23.070 31.320 34.840 1.00 20.00 \nATOM 1700 CA GLU A 107 22.360 30.250 33.100 1.00 20.00 \nATOM 1701 HA GLU A 107 22.780 29.300 32.800 1.00 20.00 \nATOM 1702 CB GLU A 107 21.030 29.910 33.710 1.00 20.00 \nATOM 1703 HB2 GLU A 107 20.460 29.320 32.990 1.00 20.00 \nATOM 1704 HB3 GLU A 107 21.310 29.310 34.580 1.00 20.00 \nATOM 1705 CG GLU A 107 20.220 31.140 34.260 1.00 20.00 \nATOM 1706 HG2 GLU A 107 20.200 31.870 33.450 1.00 20.00 \nATOM 1707 HG3 GLU A 107 19.180 30.840 34.380 1.00 20.00 \nATOM 1708 CD GLU A 107 20.680 31.900 35.480 1.00 20.00 \nATOM 1709 OE1 GLU A 107 19.830 32.440 36.210 1.00 20.00 \nATOM 1710 OE2 GLU A 107 21.900 31.900 35.880 1.00 20.00 \nATOM 1711 C GLU A 107 22.160 31.000 31.820 1.00 20.00 \nATOM 1712 O GLU A 107 21.830 30.390 30.830 1.00 20.00 \nATOM 1713 N THR A 108 22.450 32.300 31.780 1.00 20.00 \nATOM 1714 H THR A 108 22.810 32.780 32.590 1.00 20.00 \nATOM 1715 CA THR A 108 22.400 33.060 30.510 1.00 20.00 \nATOM 1716 HA THR A 108 21.660 32.600 29.850 1.00 20.00 \nATOM 1717 CB THR A 108 22.060 34.480 30.840 1.00 20.00 \nATOM 1718 HB THR A 108 22.810 34.900 31.520 1.00 20.00 \nATOM 1719 CG2 THR A 108 21.940 35.430 29.660 1.00 20.00 \nATOM 1720 HG21 THR A 108 21.310 36.270 29.940 1.00 20.00 \nATOM 1721 HG22 THR A 108 22.940 35.770 29.410 1.00 20.00 \nATOM 1722 HG23 THR A 108 21.500 34.900 28.810 1.00 20.00 \nATOM 1723 OG1 THR A 108 20.780 34.450 31.460 1.00 20.00 \nATOM 1724 HG1 THR A 108 20.920 34.360 32.400 1.00 20.00 \nATOM 1725 C THR A 108 23.660 32.850 29.670 1.00 20.00 \nATOM 1726 O THR A 108 23.510 32.600 28.490 1.00 20.00 \nATOM 1727 N GLY A 109 24.860 32.850 30.240 1.00 20.00 \nATOM 1728 H GLY A 109 24.880 33.060 31.230 1.00 20.00 \nATOM 1729 CA GLY A 109 26.130 32.650 29.570 1.00 20.00 \nATOM 1730 HA2 GLY A 109 26.420 33.480 28.930 1.00 20.00 \nATOM 1731 HA3 GLY A 109 27.000 32.510 30.210 1.00 20.00 \nATOM 1732 C GLY A 109 26.260 31.390 28.820 1.00 20.00 \nATOM 1733 O GLY A 109 27.100 31.400 27.930 1.00 20.00 \nATOM 1734 N VAL A 110 25.500 30.330 29.080 1.00 20.00 \nATOM 1735 H VAL A 110 24.850 30.300 29.850 1.00 20.00 \nATOM 1736 CA VAL A 110 25.440 29.160 28.160 1.00 20.00 \nATOM 1737 HA VAL A 110 26.320 29.090 27.520 1.00 20.00 \nATOM 1738 CB VAL A 110 25.340 27.820 28.940 1.00 20.00 \nATOM 1739 HB VAL A 110 25.400 27.000 28.230 1.00 20.00 \nATOM 1740 CG1 VAL A 110 26.540 27.620 29.850 1.00 20.00 \nATOM 1741 HG11 VAL A 110 27.420 27.430 29.240 1.00 20.00 \nATOM 1742 HG12 VAL A 110 26.650 28.510 30.470 1.00 20.00 \nATOM 1743 HG13 VAL A 110 26.470 26.730 30.490 1.00 20.00 \nATOM 1744 CG2 VAL A 110 23.990 27.790 29.660 1.00 20.00 \nATOM 1745 HG21 VAL A 110 24.160 28.490 30.470 1.00 20.00 \nATOM 1746 HG22 VAL A 110 23.240 28.240 29.000 1.00 20.00 \nATOM 1747 HG23 VAL A 110 23.690 26.780 29.950 1.00 20.00 \nATOM 1748 C VAL A 110 24.370 29.180 27.000 1.00 20.00 \nATOM 1749 O VAL A 110 24.450 28.380 26.060 1.00 20.00 \nATOM 1750 N ALA A 111 23.610 30.250 26.750 1.00 20.00 \nATOM 1751 H ALA A 111 23.560 31.020 27.400 1.00 20.00 \nATOM 1752 CA ALA A 111 22.610 30.210 25.580 1.00 20.00 \nATOM 1753 HA ALA A 111 22.070 29.260 25.500 1.00 20.00 \nATOM 1754 CB ALA A 111 21.600 31.370 25.810 1.00 20.00 \nATOM 1755 HB1 ALA A 111 22.220 32.270 25.840 1.00 20.00 \nATOM 1756 HB2 ALA A 111 20.770 31.450 25.110 1.00 20.00 \nATOM 1757 HB3 ALA A 111 21.130 31.280 26.790 1.00 20.00 \nATOM 1758 C ALA A 111 23.270 30.390 24.150 1.00 20.00 \nATOM 1759 O ALA A 111 22.720 29.870 23.130 1.00 20.00 \nATOM 1760 N GLY A 112 24.430 31.050 24.060 1.00 20.00 \nATOM 1761 H GLY A 112 24.680 31.580 24.880 1.00 20.00 \nATOM 1762 CA GLY A 112 25.320 31.250 22.830 1.00 20.00 \nATOM 1763 HA2 GLY A 112 24.790 31.780 22.050 1.00 20.00 \nATOM 1764 HA3 GLY A 112 26.140 31.950 23.000 1.00 20.00 \nATOM 1765 C GLY A 112 25.910 29.900 22.300 1.00 20.00 \nATOM 1766 O GLY A 112 26.370 29.850 21.150 1.00 20.00 \nATOM 1767 N PHE A 113 25.960 28.900 23.140 1.00 20.00 \nATOM 1768 H PHE A 113 25.430 29.010 23.990 1.00 20.00 \nATOM 1769 CA PHE A 113 26.330 27.500 22.740 1.00 20.00 \nATOM 1770 HA PHE A 113 27.190 27.470 22.070 1.00 20.00 \nATOM 1771 CB PHE A 113 26.670 26.750 24.070 1.00 20.00 \nATOM 1772 HB2 PHE A 113 25.920 26.970 24.820 1.00 20.00 \nATOM 1773 HB3 PHE A 113 26.750 25.690 23.830 1.00 20.00 \nATOM 1774 CG PHE A 113 28.060 27.150 24.520 1.00 20.00 \nATOM 1775 CD1 PHE A 113 28.300 28.230 25.330 1.00 20.00 \nATOM 1776 HD1 PHE A 113 27.430 28.790 25.650 1.00 20.00 \nATOM 1777 CE1 PHE A 113 29.600 28.580 25.770 1.00 20.00 \nATOM 1778 HE1 PHE A 113 29.640 29.380 26.500 1.00 20.00 \nATOM 1779 CZ PHE A 113 30.690 27.750 25.480 1.00 20.00 \nATOM 1780 HZ PHE A 113 31.650 27.950 25.920 1.00 20.00 \nATOM 1781 CE2 PHE A 113 30.510 26.630 24.600 1.00 20.00 \nATOM 1782 HE2 PHE A 113 31.390 26.050 24.370 1.00 20.00 \nATOM 1783 CD2 PHE A 113 29.240 26.380 24.160 1.00 20.00 \nATOM 1784 HD2 PHE A 113 29.000 25.550 23.510 1.00 20.00 \nATOM 1785 C PHE A 113 25.260 26.690 22.010 1.00 20.00 \nATOM 1786 O PHE A 113 24.850 25.540 22.340 1.00 20.00 \nATOM 1787 N THR A 114 24.590 27.270 21.020 1.00 20.00 \nATOM 1788 H THR A 114 24.950 28.170 20.730 1.00 20.00 \nATOM 1789 CA THR A 114 23.470 26.670 20.240 1.00 20.00 \nATOM 1790 HA THR A 114 22.730 26.480 21.010 1.00 20.00 \nATOM 1791 CB THR A 114 22.980 27.670 19.210 1.00 20.00 \nATOM 1792 HB THR A 114 22.170 27.290 18.600 1.00 20.00 \nATOM 1793 CG2 THR A 114 22.490 29.030 19.790 1.00 20.00 \nATOM 1794 HG21 THR A 114 23.150 29.640 20.410 1.00 20.00 \nATOM 1795 HG22 THR A 114 22.050 29.680 19.040 1.00 20.00 \nATOM 1796 HG23 THR A 114 21.610 28.860 20.410 1.00 20.00 \nATOM 1797 OG1 THR A 114 24.040 28.150 18.360 1.00 20.00 \nATOM 1798 HG1 THR A 114 23.630 28.750 17.740 1.00 20.00 \nATOM 1799 C THR A 114 23.820 25.250 19.620 1.00 20.00 \nATOM 1800 O THR A 114 23.240 24.220 20.000 1.00 20.00 \nATOM 1801 N ASN A 115 24.810 25.110 18.730 1.00 20.00 \nATOM 1802 H ASN A 115 25.390 25.920 18.540 1.00 20.00 \nATOM 1803 CA ASN A 115 25.280 23.820 18.200 1.00 20.00 \nATOM 1804 HA ASN A 115 24.430 23.410 17.660 1.00 20.00 \nATOM 1805 CB ASN A 115 26.460 23.840 17.160 1.00 20.00 \nATOM 1806 HB2 ASN A 115 27.330 24.170 17.720 1.00 20.00 \nATOM 1807 HB3 ASN A 115 26.620 22.860 16.710 1.00 20.00 \nATOM 1808 CG ASN A 115 26.430 24.810 16.010 1.00 20.00 \nATOM 1809 OD1 ASN A 115 25.460 25.490 15.640 1.00 20.00 \nATOM 1810 ND2 ASN A 115 27.540 24.910 15.330 1.00 20.00 \nATOM 1811 HD21 ASN A 115 27.610 25.390 14.440 1.00 20.00 \nATOM 1812 HD22 ASN A 115 28.360 24.440 15.660 1.00 20.00 \nATOM 1813 C ASN A 115 25.600 22.840 19.330 1.00 20.00 \nATOM 1814 O ASN A 115 25.180 21.700 19.360 1.00 20.00 \nATOM 1815 N SER A 116 26.360 23.250 20.360 1.00 20.00 \nATOM 1816 H SER A 116 26.760 24.150 20.170 1.00 20.00 \nATOM 1817 CA SER A 116 26.810 22.460 21.520 1.00 20.00 \nATOM 1818 HA SER A 116 27.380 21.600 21.180 1.00 20.00 \nATOM 1819 CB SER A 116 27.700 23.340 22.410 1.00 20.00 \nATOM 1820 HB2 SER A 116 27.110 24.230 22.640 1.00 20.00 \nATOM 1821 HB3 SER A 116 27.950 22.830 23.350 1.00 20.00 \nATOM 1822 OG SER A 116 28.840 23.820 21.680 1.00 20.00 \nATOM 1823 HG SER A 116 28.620 24.660 21.270 1.00 20.00 \nATOM 1824 C SER A 116 25.520 21.910 22.170 1.00 20.00 \nATOM 1825 O SER A 116 25.270 20.720 22.240 1.00 20.00 \nATOM 1826 N LEU A 117 24.630 22.730 22.710 1.00 20.00 \nATOM 1827 H LEU A 117 24.760 23.710 22.470 1.00 20.00 \nATOM 1828 CA LEU A 117 23.350 22.360 23.300 1.00 20.00 \nATOM 1829 HA LEU A 117 23.560 21.790 24.210 1.00 20.00 \nATOM 1830 CB LEU A 117 22.500 23.580 23.660 1.00 20.00 \nATOM 1831 HB2 LEU A 117 22.450 24.240 22.800 1.00 20.00 \nATOM 1832 HB3 LEU A 117 21.450 23.390 23.840 1.00 20.00 \nATOM 1833 CG LEU A 117 23.010 24.370 24.890 1.00 20.00 \nATOM 1834 HG LEU A 117 24.080 24.520 24.700 1.00 20.00 \nATOM 1835 CD1 LEU A 117 22.210 25.610 24.990 1.00 20.00 \nATOM 1836 HD11 LEU A 117 21.150 25.410 25.160 1.00 20.00 \nATOM 1837 HD12 LEU A 117 22.560 26.260 25.800 1.00 20.00 \nATOM 1838 HD13 LEU A 117 22.340 26.200 24.080 1.00 20.00 \nATOM 1839 CD2 LEU A 117 22.870 23.600 26.200 1.00 20.00 \nATOM 1840 HD21 LEU A 117 23.580 22.770 26.240 1.00 20.00 \nATOM 1841 HD22 LEU A 117 23.080 24.320 26.980 1.00 20.00 \nATOM 1842 HD23 LEU A 117 21.830 23.380 26.430 1.00 20.00 \nATOM 1843 C LEU A 117 22.520 21.420 22.410 1.00 20.00 \nATOM 1844 O LEU A 117 22.000 20.410 22.880 1.00 20.00 \nATOM 1845 N ARG A 118 22.520 21.620 21.120 1.00 20.00 \nATOM 1846 H ARG A 118 23.090 22.370 20.760 1.00 20.00 \nATOM 1847 CA ARG A 118 21.800 20.740 20.150 1.00 20.00 \nATOM 1848 HA ARG A 118 20.820 20.520 20.580 1.00 20.00 \nATOM 1849 CB ARG A 118 21.590 21.530 18.860 1.00 20.00 \nATOM 1850 HB2 ARG A 118 20.840 22.280 19.110 1.00 20.00 \nATOM 1851 HB3 ARG A 118 22.450 22.130 18.590 1.00 20.00 \nATOM 1852 CG ARG A 118 21.020 20.700 17.680 1.00 20.00 \nATOM 1853 HG2 ARG A 118 21.700 19.890 17.440 1.00 20.00 \nATOM 1854 HG3 ARG A 118 20.030 20.300 17.890 1.00 20.00 \nATOM 1855 CD ARG A 118 20.790 21.620 16.470 1.00 20.00 \nATOM 1856 HD2 ARG A 118 20.180 21.040 15.770 1.00 20.00 \nATOM 1857 HD3 ARG A 118 20.160 22.430 16.850 1.00 20.00 \nATOM 1858 NE ARG A 118 22.010 22.120 15.910 1.00 20.00 \nATOM 1859 HE ARG A 118 22.550 21.500 15.310 1.00 20.00 \nATOM 1860 CZ ARG A 118 22.460 23.350 15.710 1.00 20.00 \nATOM 1861 NH1 ARG A 118 22.170 24.260 16.540 1.00 20.00 \nATOM 1862 HH11 ARG A 118 21.580 24.170 17.360 1.00 20.00 \nATOM 1863 HH12 ARG A 118 22.500 25.180 16.280 1.00 20.00 \nATOM 1864 NH2 ARG A 118 23.400 23.560 14.840 1.00 20.00 \nATOM 1865 HH21 ARG A 118 23.850 22.810 14.340 1.00 20.00 \nATOM 1866 HH22 ARG A 118 23.830 24.470 14.710 1.00 20.00 \nATOM 1867 C ARG A 118 22.510 19.400 20.010 1.00 20.00 \nATOM 1868 O ARG A 118 21.890 18.350 20.000 1.00 20.00 \nATOM 1869 N MET A 119 23.870 19.390 19.800 1.00 20.00 \nATOM 1870 H MET A 119 24.410 20.250 19.760 1.00 20.00 \nATOM 1871 CA MET A 119 24.570 18.060 19.640 1.00 20.00 \nATOM 1872 HA MET A 119 24.040 17.410 18.940 1.00 20.00 \nATOM 1873 CB MET A 119 25.980 18.430 19.250 1.00 20.00 \nATOM 1874 HB2 MET A 119 26.440 19.260 19.780 1.00 20.00 \nATOM 1875 HB3 MET A 119 26.570 17.520 19.380 1.00 20.00 \nATOM 1876 CG MET A 119 25.970 18.840 17.700 1.00 20.00 \nATOM 1877 HG2 MET A 119 25.840 17.960 17.070 1.00 20.00 \nATOM 1878 HG3 MET A 119 25.130 19.510 17.540 1.00 20.00 \nATOM 1879 SD MET A 119 27.520 19.710 17.340 1.00 20.00 \nATOM 1880 CE MET A 119 27.140 20.180 15.610 1.00 20.00 \nATOM 1881 HE1 MET A 119 27.930 20.740 15.110 1.00 20.00 \nATOM 1882 HE2 MET A 119 26.970 19.220 15.120 1.00 20.00 \nATOM 1883 HE3 MET A 119 26.240 20.800 15.550 1.00 20.00 \nATOM 1884 C MET A 119 24.570 17.230 21.000 1.00 20.00 \nATOM 1885 O MET A 119 24.380 16.040 20.890 1.00 20.00 \nATOM 1886 N LEU A 120 24.630 17.830 22.220 1.00 20.00 \nATOM 1887 H LEU A 120 24.830 18.820 22.240 1.00 20.00 \nATOM 1888 CA LEU A 120 24.440 17.130 23.480 1.00 20.00 \nATOM 1889 HA LEU A 120 24.990 16.190 23.420 1.00 20.00 \nATOM 1890 CB LEU A 120 24.760 18.040 24.690 1.00 20.00 \nATOM 1891 HB2 LEU A 120 24.100 18.910 24.610 1.00 20.00 \nATOM 1892 HB3 LEU A 120 24.560 17.520 25.630 1.00 20.00 \nATOM 1893 CG LEU A 120 26.190 18.580 24.670 1.00 20.00 \nATOM 1894 HG LEU A 120 26.460 18.820 23.640 1.00 20.00 \nATOM 1895 CD1 LEU A 120 26.470 19.800 25.560 1.00 20.00 \nATOM 1896 HD11 LEU A 120 26.340 19.620 26.620 1.00 20.00 \nATOM 1897 HD12 LEU A 120 27.510 20.000 25.300 1.00 20.00 \nATOM 1898 HD13 LEU A 120 25.790 20.590 25.220 1.00 20.00 \nATOM 1899 CD2 LEU A 120 27.070 17.380 25.030 1.00 20.00 \nATOM 1900 HD21 LEU A 120 26.900 16.520 24.390 1.00 20.00 \nATOM 1901 HD22 LEU A 120 28.100 17.700 24.890 1.00 20.00 \nATOM 1902 HD23 LEU A 120 26.910 17.140 26.080 1.00 20.00 \nATOM 1903 C LEU A 120 22.990 16.630 23.600 1.00 20.00 \nATOM 1904 O LEU A 120 22.820 15.500 24.050 1.00 20.00 \nATOM 1905 N GLN A 121 21.930 17.400 23.190 1.00 20.00 \nATOM 1906 H GLN A 121 22.030 18.390 22.980 1.00 20.00 \nATOM 1907 CA GLN A 121 20.600 16.780 23.100 1.00 20.00 \nATOM 1908 HA GLN A 121 20.330 16.360 24.080 1.00 20.00 \nATOM 1909 CB GLN A 121 19.460 17.740 22.590 1.00 20.00 \nATOM 1910 HB2 GLN A 121 19.480 18.630 23.210 1.00 20.00 \nATOM 1911 HB3 GLN A 121 19.720 18.020 21.580 1.00 20.00 \nATOM 1912 CG GLN A 121 18.080 17.140 22.590 1.00 20.00 \nATOM 1913 HG2 GLN A 121 17.990 16.200 22.040 1.00 20.00 \nATOM 1914 HG3 GLN A 121 17.680 16.980 23.590 1.00 20.00 \nATOM 1915 CD GLN A 121 17.050 18.090 22.000 1.00 20.00 \nATOM 1916 OE1 GLN A 121 17.310 18.640 20.930 1.00 20.00 \nATOM 1917 NE2 GLN A 121 15.970 18.390 22.580 1.00 20.00 \nATOM 1918 HE21 GLN A 121 15.630 17.780 23.310 1.00 20.00 \nATOM 1919 HE22 GLN A 121 15.520 19.260 22.360 1.00 20.00 \nATOM 1920 C GLN A 121 20.630 15.630 22.080 1.00 20.00 \nATOM 1921 O GLN A 121 20.140 14.560 22.400 1.00 20.00 \nATOM 1922 N GLN A 122 21.180 15.710 20.890 1.00 20.00 \nATOM 1923 H GLN A 122 21.510 16.650 20.710 1.00 20.00 \nATOM 1924 CA GLN A 122 21.190 14.630 19.830 1.00 20.00 \nATOM 1925 HA GLN A 122 20.180 14.220 19.800 1.00 20.00 \nATOM 1926 CB GLN A 122 21.680 15.230 18.520 1.00 20.00 \nATOM 1927 HB2 GLN A 122 22.690 15.630 18.590 1.00 20.00 \nATOM 1928 HB3 GLN A 122 21.740 14.450 17.760 1.00 20.00 \nATOM 1929 CG GLN A 122 20.610 16.170 17.930 1.00 20.00 \nATOM 1930 HG2 GLN A 122 19.780 15.630 17.480 1.00 20.00 \nATOM 1931 HG3 GLN A 122 20.060 16.830 18.590 1.00 20.00 \nATOM 1932 CD GLN A 122 21.240 17.090 16.820 1.00 20.00 \nATOM 1933 OE1 GLN A 122 22.460 17.090 16.540 1.00 20.00 \nATOM 1934 NE2 GLN A 122 20.470 17.850 16.070 1.00 20.00 \nATOM 1935 HE21 GLN A 122 19.490 17.670 16.200 1.00 20.00 \nATOM 1936 HE22 GLN A 122 20.930 18.340 15.310 1.00 20.00 \nATOM 1937 C GLN A 122 22.000 13.380 20.210 1.00 20.00 \nATOM 1938 O GLN A 122 22.120 12.410 19.500 1.00 20.00 \nATOM 1939 N LYS A 123 22.660 13.380 21.380 1.00 20.00 \nATOM 1940 H LYS A 123 22.460 14.230 21.900 1.00 20.00 \nATOM 1941 CA LYS A 123 23.710 12.480 21.880 1.00 20.00 \nATOM 1942 HA LYS A 123 24.060 12.960 22.800 1.00 20.00 \nATOM 1943 CB LYS A 123 23.160 11.160 22.330 1.00 20.00 \nATOM 1944 HB2 LYS A 123 22.920 10.510 21.490 1.00 20.00 \nATOM 1945 HB3 LYS A 123 23.980 10.680 22.860 1.00 20.00 \nATOM 1946 CG LYS A 123 21.840 11.180 23.160 1.00 20.00 \nATOM 1947 HG2 LYS A 123 21.990 11.950 23.920 1.00 20.00 \nATOM 1948 HG3 LYS A 123 20.940 11.500 22.650 1.00 20.00 \nATOM 1949 CD LYS A 123 21.500 9.960 23.980 1.00 20.00 \nATOM 1950 HD2 LYS A 123 21.060 9.260 23.270 1.00 20.00 \nATOM 1951 HD3 LYS A 123 22.460 9.600 24.360 1.00 20.00 \nATOM 1952 CE LYS A 123 20.500 10.140 25.120 1.00 20.00 \nATOM 1953 HE2 LYS A 123 19.670 10.650 24.640 1.00 20.00 \nATOM 1954 HE3 LYS A 123 20.180 9.160 25.480 1.00 20.00 \nATOM 1955 NZ LYS A 123 20.910 10.960 26.240 1.00 20.00 \nATOM 1956 HZ1 LYS A 123 20.170 11.020 26.930 1.00 20.00 \nATOM 1957 HZ2 LYS A 123 21.600 10.630 26.890 1.00 20.00 \nATOM 1958 HZ3 LYS A 123 21.110 11.880 25.900 1.00 20.00 \nATOM 1959 C LYS A 123 25.020 12.430 21.080 1.00 20.00 \nATOM 1960 O LYS A 123 25.810 11.500 21.170 1.00 20.00 \nATOM 1961 N ARG A 124 25.190 13.410 20.210 1.00 20.00 \nATOM 1962 H ARG A 124 24.670 14.280 20.230 1.00 20.00 \nATOM 1963 CA ARG A 124 26.310 13.520 19.250 1.00 20.00 \nATOM 1964 HA ARG A 124 26.660 12.560 18.860 1.00 20.00 \nATOM 1965 CB ARG A 124 26.000 14.460 18.040 1.00 20.00 \nATOM 1966 HB2 ARG A 124 25.570 15.350 18.500 1.00 20.00 \nATOM 1967 HB3 ARG A 124 26.900 14.670 17.470 1.00 20.00 \nATOM 1968 CG ARG A 124 25.000 13.810 17.050 1.00 20.00 \nATOM 1969 HG2 ARG A 124 25.240 12.770 16.860 1.00 20.00 \nATOM 1970 HG3 ARG A 124 23.980 13.760 17.440 1.00 20.00 \nATOM 1971 CD ARG A 124 24.990 14.570 15.760 1.00 20.00 \nATOM 1972 HD2 ARG A 124 24.710 15.620 15.860 1.00 20.00 \nATOM 1973 HD3 ARG A 124 26.010 14.520 15.370 1.00 20.00 \nATOM 1974 NE ARG A 124 24.080 13.860 14.770 1.00 20.00 \nATOM 1975 HE ARG A 124 23.280 13.400 15.170 1.00 20.00 \nATOM 1976 CZ ARG A 124 24.260 13.650 13.520 1.00 20.00 \nATOM 1977 NH1 ARG A 124 25.290 14.020 12.800 1.00 20.00 \nATOM 1978 HH11 ARG A 124 25.930 14.720 13.140 1.00 20.00 \nATOM 1979 HH12 ARG A 124 25.340 13.760 11.820 1.00 20.00 \nATOM 1980 NH2 ARG A 124 23.380 12.810 12.960 1.00 20.00 \nATOM 1981 HH21 ARG A 124 22.810 12.290 13.620 1.00 20.00 \nATOM 1982 HH22 ARG A 124 23.430 12.520 12.000 1.00 20.00 \nATOM 1983 C ARG A 124 27.570 13.980 20.080 1.00 20.00 \nATOM 1984 O ARG A 124 27.910 15.170 19.980 1.00 20.00 \nATOM 1985 N TRP A 125 28.230 13.060 20.770 1.00 20.00 \nATOM 1986 H TRP A 125 27.850 12.130 20.700 1.00 20.00 \nATOM 1987 CA TRP A 125 29.270 13.390 21.760 1.00 20.00 \nATOM 1988 HA TRP A 125 28.840 14.100 22.470 1.00 20.00 \nATOM 1989 CB TRP A 125 29.510 12.120 22.540 1.00 20.00 \nATOM 1990 HB2 TRP A 125 29.970 11.300 21.980 1.00 20.00 \nATOM 1991 HB3 TRP A 125 30.170 12.490 23.330 1.00 20.00 \nATOM 1992 CG TRP A 125 28.400 11.460 23.340 1.00 20.00 \nATOM 1993 CD1 TRP A 125 28.360 10.140 23.560 1.00 20.00 \nATOM 1994 HD1 TRP A 125 28.980 9.350 23.150 1.00 20.00 \nATOM 1995 NE1 TRP A 125 27.220 9.850 24.280 1.00 20.00 \nATOM 1996 HE1 TRP A 125 26.920 8.890 24.320 1.00 20.00 \nATOM 1997 CE2 TRP A 125 26.440 10.990 24.570 1.00 20.00 \nATOM 1998 CZ2 TRP A 125 25.160 11.130 25.170 1.00 20.00 \nATOM 1999 HZ2 TRP A 125 24.510 10.300 25.400 1.00 20.00 \nATOM 2000 CH2 TRP A 125 24.840 12.480 25.490 1.00 20.00 \nATOM 2001 HH2 TRP A 125 23.970 12.750 26.070 1.00 20.00 \nATOM 2002 CZ3 TRP A 125 25.710 13.570 25.120 1.00 20.00 \nATOM 2003 HZ3 TRP A 125 25.470 14.590 25.370 1.00 20.00 \nATOM 2004 CE3 TRP A 125 26.830 13.310 24.270 1.00 20.00 \nATOM 2005 HE3 TRP A 125 27.540 14.100 24.060 1.00 20.00 \nATOM 2006 CD2 TRP A 125 27.290 12.010 24.090 1.00 20.00 \nATOM 2007 C TRP A 125 30.590 13.900 21.080 1.00 20.00 \nATOM 2008 O TRP A 125 31.030 15.050 21.440 1.00 20.00 \nATOM 2009 N ASP A 126 31.050 13.270 20.010 1.00 20.00 \nATOM 2010 H ASP A 126 30.580 12.460 19.640 1.00 20.00 \nATOM 2011 CA ASP A 126 32.250 13.690 19.280 1.00 20.00 \nATOM 2012 HA ASP A 126 33.090 13.910 19.930 1.00 20.00 \nATOM 2013 CB ASP A 126 32.680 12.520 18.380 1.00 20.00 \nATOM 2014 HB2 ASP A 126 33.550 12.860 17.820 1.00 20.00 \nATOM 2015 HB3 ASP A 126 32.980 11.740 19.070 1.00 20.00 \nATOM 2016 CG ASP A 126 31.580 11.890 17.500 1.00 20.00 \nATOM 2017 OD1 ASP A 126 31.920 11.240 16.510 1.00 20.00 \nATOM 2018 OD2 ASP A 126 30.400 12.320 17.600 1.00 20.00 \nATOM 2019 C ASP A 126 31.990 14.980 18.460 1.00 20.00 \nATOM 2020 O ASP A 126 32.920 15.750 18.370 1.00 20.00 \nATOM 2021 N GLU A 127 30.780 15.260 18.110 1.00 20.00 \nATOM 2022 H GLU A 127 30.060 14.550 18.080 1.00 20.00 \nATOM 2023 CA GLU A 127 30.460 16.580 17.470 1.00 20.00 \nATOM 2024 HA GLU A 127 31.340 16.880 16.900 1.00 20.00 \nATOM 2025 CB GLU A 127 29.340 16.480 16.530 1.00 20.00 \nATOM 2026 HB2 GLU A 127 28.490 16.080 17.090 1.00 20.00 \nATOM 2027 HB3 GLU A 127 29.080 17.500 16.240 1.00 20.00 \nATOM 2028 CG GLU A 127 29.670 15.520 15.320 1.00 20.00 \nATOM 2029 HG2 GLU A 127 30.690 15.740 15.000 1.00 20.00 \nATOM 2030 HG3 GLU A 127 29.690 14.480 15.650 1.00 20.00 \nATOM 2031 CD GLU A 127 28.730 15.780 14.150 1.00 20.00 \nATOM 2032 OE1 GLU A 127 27.650 15.180 13.950 1.00 20.00 \nATOM 2033 OE2 GLU A 127 29.060 16.670 13.340 1.00 20.00 \nATOM 2034 C GLU A 127 30.350 17.700 18.520 1.00 20.00 \nATOM 2035 O GLU A 127 30.990 18.710 18.320 1.00 20.00 \nATOM 2036 N ALA A 128 29.630 17.520 19.650 1.00 20.00 \nATOM 2037 H ALA A 128 29.170 16.650 19.880 1.00 20.00 \nATOM 2038 CA ALA A 128 29.610 18.430 20.820 1.00 20.00 \nATOM 2039 HA ALA A 128 29.140 19.370 20.510 1.00 20.00 \nATOM 2040 CB ALA A 128 28.750 17.790 21.950 1.00 20.00 \nATOM 2041 HB1 ALA A 128 28.850 18.400 22.850 1.00 20.00 \nATOM 2042 HB2 ALA A 128 27.710 18.020 21.690 1.00 20.00 \nATOM 2043 HB3 ALA A 128 28.930 16.740 22.160 1.00 20.00 \nATOM 2044 C ALA A 128 31.050 18.860 21.320 1.00 20.00 \nATOM 2045 O ALA A 128 31.270 19.990 21.730 1.00 20.00 \nATOM 2046 N ALA A 129 31.960 17.930 21.330 1.00 20.00 \nATOM 2047 H ALA A 129 31.640 16.990 21.160 1.00 20.00 \nATOM 2048 CA ALA A 129 33.360 18.140 21.870 1.00 20.00 \nATOM 2049 HA ALA A 129 33.230 18.720 22.790 1.00 20.00 \nATOM 2050 CB ALA A 129 34.160 16.870 22.240 1.00 20.00 \nATOM 2051 HB1 ALA A 129 33.530 16.190 22.820 1.00 20.00 \nATOM 2052 HB2 ALA A 129 34.360 16.370 21.290 1.00 20.00 \nATOM 2053 HB3 ALA A 129 35.110 17.090 22.710 1.00 20.00 \nATOM 2054 C ALA A 129 34.110 19.150 20.980 1.00 20.00 \nATOM 2055 O ALA A 129 34.680 20.100 21.470 1.00 20.00 \nATOM 2056 N VAL A 130 34.030 18.990 19.660 1.00 20.00 \nATOM 2057 H VAL A 130 33.550 18.180 19.290 1.00 20.00 \nATOM 2058 CA VAL A 130 34.480 20.090 18.730 1.00 20.00 \nATOM 2059 HA VAL A 130 35.520 20.340 18.920 1.00 20.00 \nATOM 2060 CB VAL A 130 34.360 19.780 17.210 1.00 20.00 \nATOM 2061 HB VAL A 130 33.380 19.320 17.040 1.00 20.00 \nATOM 2062 CG1 VAL A 130 34.650 20.920 16.220 1.00 20.00 \nATOM 2063 HG11 VAL A 130 33.900 21.710 16.310 1.00 20.00 \nATOM 2064 HG12 VAL A 130 35.500 21.530 16.530 1.00 20.00 \nATOM 2065 HG13 VAL A 130 34.610 20.630 15.170 1.00 20.00 \nATOM 2066 CG2 VAL A 130 35.400 18.650 16.930 1.00 20.00 \nATOM 2067 HG21 VAL A 130 35.550 18.450 15.870 1.00 20.00 \nATOM 2068 HG22 VAL A 130 36.340 18.880 17.440 1.00 20.00 \nATOM 2069 HG23 VAL A 130 35.150 17.740 17.460 1.00 20.00 \nATOM 2070 C VAL A 130 33.760 21.400 18.950 1.00 20.00 \nATOM 2071 O VAL A 130 34.410 22.440 19.040 1.00 20.00 \nATOM 2072 N ASN A 131 32.500 21.370 19.130 1.00 20.00 \nATOM 2073 H ASN A 131 32.020 20.480 19.170 1.00 20.00 \nATOM 2074 CA ASN A 131 31.660 22.580 19.200 1.00 20.00 \nATOM 2075 HA ASN A 131 32.080 23.240 18.440 1.00 20.00 \nATOM 2076 CB ASN A 131 30.290 22.120 18.680 1.00 20.00 \nATOM 2077 HB2 ASN A 131 30.020 21.160 19.130 1.00 20.00 \nATOM 2078 HB3 ASN A 131 29.530 22.810 19.040 1.00 20.00 \nATOM 2079 CG ASN A 131 30.180 22.010 17.200 1.00 20.00 \nATOM 2080 OD1 ASN A 131 29.570 22.890 16.560 1.00 20.00 \nATOM 2081 ND2 ASN A 131 30.640 20.980 16.540 1.00 20.00 \nATOM 2082 HD21 ASN A 131 30.340 20.930 15.580 1.00 20.00 \nATOM 2083 HD22 ASN A 131 30.970 20.150 17.020 1.00 20.00 \nATOM 2084 C ASN A 131 31.650 23.350 20.550 1.00 20.00 \nATOM 2085 O ASN A 131 31.600 24.580 20.510 1.00 20.00 \nATOM 2086 N LEU A 132 31.940 22.680 21.690 1.00 20.00 \nATOM 2087 H LEU A 132 31.940 21.680 21.560 1.00 20.00 \nATOM 2088 CA LEU A 132 32.250 23.260 23.000 1.00 20.00 \nATOM 2089 HA LEU A 132 31.600 24.100 23.220 1.00 20.00 \nATOM 2090 CB LEU A 132 32.160 22.200 24.100 1.00 20.00 \nATOM 2091 HB2 LEU A 132 32.770 21.370 23.770 1.00 20.00 \nATOM 2092 HB3 LEU A 132 32.590 22.640 25.000 1.00 20.00 \nATOM 2093 CG LEU A 132 30.700 21.820 24.360 1.00 20.00 \nATOM 2094 HG LEU A 132 30.170 21.730 23.410 1.00 20.00 \nATOM 2095 CD1 LEU A 132 30.590 20.490 25.050 1.00 20.00 \nATOM 2096 HD11 LEU A 132 31.160 19.800 24.420 1.00 20.00 \nATOM 2097 HD12 LEU A 132 30.930 20.600 26.080 1.00 20.00 \nATOM 2098 HD13 LEU A 132 29.530 20.220 25.100 1.00 20.00 \nATOM 2099 CD2 LEU A 132 29.880 22.870 25.140 1.00 20.00 \nATOM 2100 HD21 LEU A 132 28.880 22.530 25.410 1.00 20.00 \nATOM 2101 HD22 LEU A 132 30.500 23.130 26.000 1.00 20.00 \nATOM 2102 HD23 LEU A 132 29.770 23.760 24.530 1.00 20.00 \nATOM 2103 C LEU A 132 33.730 23.770 22.930 1.00 20.00 \nATOM 2104 O LEU A 132 34.050 24.700 23.650 1.00 20.00 \nATOM 2105 N ALA A 133 34.670 23.240 22.060 1.00 20.00 \nATOM 2106 H ALA A 133 34.400 22.360 21.630 1.00 20.00 \nATOM 2107 CA ALA A 133 36.050 23.630 22.000 1.00 20.00 \nATOM 2108 HA ALA A 133 36.360 23.860 23.020 1.00 20.00 \nATOM 2109 CB ALA A 133 36.910 22.540 21.460 1.00 20.00 \nATOM 2110 HB1 ALA A 133 36.670 21.640 22.020 1.00 20.00 \nATOM 2111 HB2 ALA A 133 36.600 22.400 20.430 1.00 20.00 \nATOM 2112 HB3 ALA A 133 37.950 22.790 21.650 1.00 20.00 \nATOM 2113 C ALA A 133 36.200 24.880 21.060 1.00 20.00 \nATOM 2114 O ALA A 133 37.230 25.580 21.150 1.00 20.00 \nATOM 2115 N LYS A 134 35.190 25.320 20.290 1.00 20.00 \nATOM 2116 H LYS A 134 34.380 24.720 20.350 1.00 20.00 \nATOM 2117 CA LYS A 134 35.060 26.450 19.430 1.00 20.00 \nATOM 2118 HA LYS A 134 36.040 26.810 19.120 1.00 20.00 \nATOM 2119 CB LYS A 134 34.340 26.090 18.140 1.00 20.00 \nATOM 2120 HB2 LYS A 134 33.460 25.540 18.460 1.00 20.00 \nATOM 2121 HB3 LYS A 134 34.060 27.070 17.730 1.00 20.00 \nATOM 2122 CG LYS A 134 35.200 25.340 17.110 1.00 20.00 \nATOM 2123 HG2 LYS A 134 36.120 25.880 16.870 1.00 20.00 \nATOM 2124 HG3 LYS A 134 35.440 24.330 17.460 1.00 20.00 \nATOM 2125 CD LYS A 134 34.440 25.160 15.770 1.00 20.00 \nATOM 2126 HD2 LYS A 134 33.470 24.700 15.930 1.00 20.00 \nATOM 2127 HD3 LYS A 134 34.300 26.160 15.360 1.00 20.00 \nATOM 2128 CE LYS A 134 35.370 24.270 14.850 1.00 20.00 \nATOM 2129 HE2 LYS A 134 36.310 24.800 14.710 1.00 20.00 \nATOM 2130 HE3 LYS A 134 35.570 23.270 15.230 1.00 20.00 \nATOM 2131 NZ LYS A 134 34.730 24.210 13.540 1.00 20.00 \nATOM 2132 HZ1 LYS A 134 35.270 23.500 13.060 1.00 20.00 \nATOM 2133 HZ2 LYS A 134 33.760 23.950 13.680 1.00 20.00 \nATOM 2134 HZ3 LYS A 134 34.970 25.100 13.130 1.00 20.00 \nATOM 2135 C LYS A 134 34.410 27.650 20.180 1.00 20.00 \nATOM 2136 O LYS A 134 33.590 28.380 19.690 1.00 20.00 \nATOM 2137 N SER A 135 34.760 27.880 21.440 1.00 20.00 \nATOM 2138 H SER A 135 35.600 27.360 21.660 1.00 20.00 \nATOM 2139 CA SER A 135 34.270 28.870 22.350 1.00 20.00 \nATOM 2140 HA SER A 135 33.540 29.510 21.870 1.00 20.00 \nATOM 2141 CB SER A 135 33.630 28.120 23.500 1.00 20.00 \nATOM 2142 HB2 SER A 135 33.180 28.920 24.090 1.00 20.00 \nATOM 2143 HB3 SER A 135 32.790 27.520 23.150 1.00 20.00 \nATOM 2144 OG SER A 135 34.530 27.330 24.230 1.00 20.00 \nATOM 2145 HG SER A 135 34.390 26.390 24.110 1.00 20.00 \nATOM 2146 C SER A 135 35.480 29.750 22.790 1.00 20.00 \nATOM 2147 O SER A 135 36.640 29.440 22.680 1.00 20.00 \nATOM 2148 N ARG A 136 35.080 30.970 23.270 1.00 20.00 \nATOM 2149 H ARG A 136 34.120 31.260 23.200 1.00 20.00 \nATOM 2150 CA ARG A 136 36.050 31.770 24.070 1.00 20.00 \nATOM 2151 HA ARG A 136 36.980 31.810 23.500 1.00 20.00 \nATOM 2152 CB ARG A 136 35.580 33.300 24.150 1.00 20.00 \nATOM 2153 HB2 ARG A 136 35.620 33.620 23.110 1.00 20.00 \nATOM 2154 HB3 ARG A 136 34.520 33.280 24.430 1.00 20.00 \nATOM 2155 CG ARG A 136 36.330 34.170 25.060 1.00 20.00 \nATOM 2156 HG2 ARG A 136 36.310 33.830 26.090 1.00 20.00 \nATOM 2157 HG3 ARG A 136 37.390 34.120 24.780 1.00 20.00 \nATOM 2158 CD ARG A 136 35.880 35.640 24.880 1.00 20.00 \nATOM 2159 HD2 ARG A 136 36.190 35.850 23.860 1.00 20.00 \nATOM 2160 HD3 ARG A 136 34.800 35.820 24.940 1.00 20.00 \nATOM 2161 NE ARG A 136 36.710 36.500 25.770 1.00 20.00 \nATOM 2162 HE ARG A 136 37.710 36.550 25.670 1.00 20.00 \nATOM 2163 CZ ARG A 136 36.320 37.060 26.920 1.00 20.00 \nATOM 2164 NH1 ARG A 136 35.110 36.930 27.360 1.00 20.00 \nATOM 2165 HH11 ARG A 136 34.400 36.790 26.650 1.00 20.00 \nATOM 2166 HH12 ARG A 136 34.940 37.340 28.270 1.00 20.00 \nATOM 2167 NH2 ARG A 136 37.210 37.600 27.650 1.00 20.00 \nATOM 2168 HH21 ARG A 136 38.110 37.860 27.260 1.00 20.00 \nATOM 2169 HH22 ARG A 136 37.020 37.810 28.620 1.00 20.00 \nATOM 2170 C ARG A 136 36.550 31.150 25.390 1.00 20.00 \nATOM 2171 O ARG A 136 37.710 31.080 25.700 1.00 20.00 \nATOM 2172 N TRP A 137 35.570 30.540 25.990 1.00 20.00 \nATOM 2173 H TRP A 137 34.690 30.940 25.730 1.00 20.00 \nATOM 2174 CA TRP A 137 35.630 29.680 27.150 1.00 20.00 \nATOM 2175 HA TRP A 137 35.800 30.290 28.040 1.00 20.00 \nATOM 2176 CB TRP A 137 34.260 29.010 27.250 1.00 20.00 \nATOM 2177 HB2 TRP A 137 33.490 29.730 27.500 1.00 20.00 \nATOM 2178 HB3 TRP A 137 34.070 28.470 26.320 1.00 20.00 \nATOM 2179 CG TRP A 137 34.260 27.890 28.310 1.00 20.00 \nATOM 2180 CD1 TRP A 137 34.770 28.030 29.610 1.00 20.00 \nATOM 2181 HD1 TRP A 137 35.180 28.930 30.040 1.00 20.00 \nATOM 2182 NE1 TRP A 137 34.400 26.930 30.400 1.00 20.00 \nATOM 2183 HE1 TRP A 137 34.460 27.040 31.400 1.00 20.00 \nATOM 2184 CE2 TRP A 137 33.910 25.920 29.620 1.00 20.00 \nATOM 2185 CZ2 TRP A 137 33.520 24.620 29.940 1.00 20.00 \nATOM 2186 HZ2 TRP A 137 33.620 24.320 30.970 1.00 20.00 \nATOM 2187 CH2 TRP A 137 33.140 23.800 28.870 1.00 20.00 \nATOM 2188 HH2 TRP A 137 32.800 22.780 28.980 1.00 20.00 \nATOM 2189 CZ3 TRP A 137 33.110 24.320 27.540 1.00 20.00 \nATOM 2190 HZ3 TRP A 137 32.910 23.630 26.740 1.00 20.00 \nATOM 2191 CE3 TRP A 137 33.470 25.590 27.310 1.00 20.00 \nATOM 2192 HE3 TRP A 137 33.610 26.040 26.340 1.00 20.00 \nATOM 2193 CD2 TRP A 137 33.780 26.480 28.290 1.00 20.00 \nATOM 2194 C TRP A 137 36.840 28.680 27.120 1.00 20.00 \nATOM 2195 O TRP A 137 37.640 28.580 28.090 1.00 20.00 \nATOM 2196 N TYR A 138 37.040 27.940 26.060 1.00 20.00 \nATOM 2197 H TYR A 138 36.440 28.100 25.260 1.00 20.00 \nATOM 2198 CA TYR A 138 38.090 26.970 25.830 1.00 20.00 \nATOM 2199 HA TYR A 138 38.030 26.170 26.560 1.00 20.00 \nATOM 2200 CB TYR A 138 37.840 26.330 24.430 1.00 20.00 \nATOM 2201 HB2 TYR A 138 36.800 26.020 24.410 1.00 20.00 \nATOM 2202 HB3 TYR A 138 38.130 27.020 23.640 1.00 20.00 \nATOM 2203 CG TYR A 138 38.740 25.090 24.180 1.00 20.00 \nATOM 2204 CD1 TYR A 138 38.460 24.010 25.120 1.00 20.00 \nATOM 2205 HD1 TYR A 138 37.740 24.130 25.910 1.00 20.00 \nATOM 2206 CE1 TYR A 138 39.220 22.800 24.980 1.00 20.00 \nATOM 2207 HE1 TYR A 138 38.810 21.910 25.440 1.00 20.00 \nATOM 2208 CZ TYR A 138 40.120 22.660 23.900 1.00 20.00 \nATOM 2209 OH TYR A 138 40.540 21.470 23.470 1.00 20.00 \nATOM 2210 HH TYR A 138 41.060 21.600 22.680 1.00 20.00 \nATOM 2211 CE2 TYR A 138 40.500 23.840 23.220 1.00 20.00 \nATOM 2212 HE2 TYR A 138 41.190 23.730 22.390 1.00 20.00 \nATOM 2213 CD2 TYR A 138 39.820 25.030 23.330 1.00 20.00 \nATOM 2214 HD2 TYR A 138 40.060 25.890 22.730 1.00 20.00 \nATOM 2215 C TYR A 138 39.500 27.560 26.010 1.00 20.00 \nATOM 2216 O TYR A 138 40.420 26.830 26.380 1.00 20.00 \nATOM 2217 N ASN A 139 39.680 28.800 25.650 1.00 20.00 \nATOM 2218 H ASN A 139 38.850 29.220 25.270 1.00 20.00 \nATOM 2219 CA ASN A 139 41.000 29.520 25.670 1.00 20.00 \nATOM 2220 HA ASN A 139 41.830 28.810 25.600 1.00 20.00 \nATOM 2221 CB ASN A 139 41.060 30.540 24.510 1.00 20.00 \nATOM 2222 HB2 ASN A 139 40.240 31.250 24.610 1.00 20.00 \nATOM 2223 HB3 ASN A 139 42.030 31.030 24.500 1.00 20.00 \nATOM 2224 CG ASN A 139 40.890 29.840 23.190 1.00 20.00 \nATOM 2225 OD1 ASN A 139 39.780 29.870 22.640 1.00 20.00 \nATOM 2226 ND2 ASN A 139 41.850 29.040 22.710 1.00 20.00 \nATOM 2227 HD21 ASN A 139 41.610 28.580 21.840 1.00 20.00 \nATOM 2228 HD22 ASN A 139 42.690 28.760 23.210 1.00 20.00 \nATOM 2229 C ASN A 139 41.160 30.300 27.050 1.00 20.00 \nATOM 2230 O ASN A 139 42.220 30.580 27.590 1.00 20.00 \nATOM 2231 N GLN A 140 39.990 30.640 27.640 1.00 20.00 \nATOM 2232 H GLN A 140 39.090 30.490 27.220 1.00 20.00 \nATOM 2233 CA GLN A 140 39.940 31.370 28.890 1.00 20.00 \nATOM 2234 HA GLN A 140 40.570 32.270 28.890 1.00 20.00 \nATOM 2235 CB GLN A 140 38.520 31.880 29.120 1.00 20.00 \nATOM 2236 HB2 GLN A 140 37.820 31.090 28.850 1.00 20.00 \nATOM 2237 HB3 GLN A 140 38.410 32.070 30.190 1.00 20.00 \nATOM 2238 CG GLN A 140 38.090 33.070 28.300 1.00 20.00 \nATOM 2239 HG2 GLN A 140 38.530 32.980 27.310 1.00 20.00 \nATOM 2240 HG3 GLN A 140 37.010 33.190 28.280 1.00 20.00 \nATOM 2241 CD GLN A 140 38.730 34.350 28.860 1.00 20.00 \nATOM 2242 OE1 GLN A 140 39.870 34.760 28.580 1.00 20.00 \nATOM 2243 NE2 GLN A 140 37.950 35.060 29.700 1.00 20.00 \nATOM 2244 HE21 GLN A 140 37.140 34.660 30.170 1.00 20.00 \nATOM 2245 HE22 GLN A 140 38.520 35.700 30.220 1.00 20.00 \nATOM 2246 C GLN A 140 40.270 30.540 30.140 1.00 20.00 \nATOM 2247 O GLN A 140 40.970 31.050 31.010 1.00 20.00 \nATOM 2248 N THR A 141 39.930 29.300 30.140 1.00 20.00 \nATOM 2249 H THR A 141 39.310 28.970 29.420 1.00 20.00 \nATOM 2250 CA THR A 141 40.230 28.290 31.180 1.00 20.00 \nATOM 2251 HA THR A 141 41.130 28.660 31.680 1.00 20.00 \nATOM 2252 CB THR A 141 39.160 28.280 32.260 1.00 20.00 \nATOM 2253 HB THR A 141 39.480 27.410 32.850 1.00 20.00 \nATOM 2254 CG2 THR A 141 39.060 29.570 33.040 1.00 20.00 \nATOM 2255 HG21 THR A 141 38.580 30.320 32.410 1.00 20.00 \nATOM 2256 HG22 THR A 141 38.370 29.240 33.830 1.00 20.00 \nATOM 2257 HG23 THR A 141 40.020 29.950 33.400 1.00 20.00 \nATOM 2258 OG1 THR A 141 37.890 28.020 31.760 1.00 20.00 \nATOM 2259 HG1 THR A 141 38.090 27.760 30.860 1.00 20.00 \nATOM 2260 C THR A 141 40.540 26.880 30.640 1.00 20.00 \nATOM 2261 O THR A 141 39.710 25.980 30.690 1.00 20.00 \nATOM 2262 N PRO A 142 41.700 26.720 29.980 1.00 20.00 \nATOM 2263 CD PRO A 142 42.690 27.710 29.740 1.00 20.00 \nATOM 2264 HD2 PRO A 142 43.480 27.760 30.490 1.00 20.00 \nATOM 2265 HD3 PRO A 142 42.320 28.740 29.810 1.00 20.00 \nATOM 2266 CG PRO A 142 43.250 27.400 28.350 1.00 20.00 \nATOM 2267 HG2 PRO A 142 44.280 27.740 28.240 1.00 20.00 \nATOM 2268 HG3 PRO A 142 42.700 27.880 27.540 1.00 20.00 \nATOM 2269 CB PRO A 142 43.120 25.940 28.140 1.00 20.00 \nATOM 2270 HB2 PRO A 142 43.940 25.430 28.650 1.00 20.00 \nATOM 2271 HB3 PRO A 142 42.990 25.630 27.100 1.00 20.00 \nATOM 2272 CA PRO A 142 41.850 25.690 28.960 1.00 20.00 \nATOM 2273 HA PRO A 142 41.010 25.830 28.270 1.00 20.00 \nATOM 2274 C PRO A 142 41.880 24.190 29.460 1.00 20.00 \nATOM 2275 O PRO A 142 41.220 23.340 28.850 1.00 20.00 \nATOM 2276 N ASN A 143 42.420 23.900 30.710 1.00 20.00 \nATOM 2277 H ASN A 143 42.700 24.690 31.270 1.00 20.00 \nATOM 2278 CA ASN A 143 42.290 22.590 31.410 1.00 20.00 \nATOM 2279 HA ASN A 143 42.490 21.830 30.660 1.00 20.00 \nATOM 2280 CB ASN A 143 43.310 22.450 32.500 1.00 20.00 \nATOM 2281 HB2 ASN A 143 43.090 23.200 33.260 1.00 20.00 \nATOM 2282 HB3 ASN A 143 43.130 21.450 32.920 1.00 20.00 \nATOM 2283 CG ASN A 143 44.770 22.490 32.090 1.00 20.00 \nATOM 2284 OD1 ASN A 143 45.190 21.630 31.300 1.00 20.00 \nATOM 2285 ND2 ASN A 143 45.560 23.360 32.620 1.00 20.00 \nATOM 2286 HD21 ASN A 143 46.550 23.390 32.430 1.00 20.00 \nATOM 2287 HD22 ASN A 143 45.170 24.190 33.060 1.00 20.00 \nATOM 2288 C ASN A 143 40.900 22.250 32.020 1.00 20.00 \nATOM 2289 O ASN A 143 40.470 21.120 31.760 1.00 20.00 \nATOM 2290 N ARG A 144 40.200 23.160 32.670 1.00 20.00 \nATOM 2291 H ARG A 144 40.620 24.080 32.700 1.00 20.00 \nATOM 2292 CA ARG A 144 38.780 23.060 32.980 1.00 20.00 \nATOM 2293 HA ARG A 144 38.700 22.130 33.530 1.00 20.00 \nATOM 2294 CB ARG A 144 38.300 24.290 33.770 1.00 20.00 \nATOM 2295 HB2 ARG A 144 38.850 24.440 34.700 1.00 20.00 \nATOM 2296 HB3 ARG A 144 38.340 25.210 33.200 1.00 20.00 \nATOM 2297 CG ARG A 144 36.810 24.280 34.200 1.00 20.00 \nATOM 2298 HG2 ARG A 144 36.090 24.090 33.400 1.00 20.00 \nATOM 2299 HG3 ARG A 144 36.530 23.560 34.980 1.00 20.00 \nATOM 2300 CD ARG A 144 36.510 25.650 34.760 1.00 20.00 \nATOM 2301 HD2 ARG A 144 37.240 26.050 35.470 1.00 20.00 \nATOM 2302 HD3 ARG A 144 36.490 26.350 33.920 1.00 20.00 \nATOM 2303 NE ARG A 144 35.190 25.600 35.480 1.00 20.00 \nATOM 2304 HE ARG A 144 34.440 25.030 35.110 1.00 20.00 \nATOM 2305 CZ ARG A 144 34.810 26.350 36.400 1.00 20.00 \nATOM 2306 NH1 ARG A 144 35.560 27.410 36.720 1.00 20.00 \nATOM 2307 HH11 ARG A 144 36.480 27.480 36.310 1.00 20.00 \nATOM 2308 HH12 ARG A 144 35.260 27.950 37.510 1.00 20.00 \nATOM 2309 NH2 ARG A 144 33.730 26.070 37.060 1.00 20.00 \nATOM 2310 HH21 ARG A 144 33.010 25.600 36.530 1.00 20.00 \nATOM 2311 HH22 ARG A 144 33.500 26.760 37.760 1.00 20.00 \nATOM 2312 C ARG A 144 37.880 22.840 31.770 1.00 20.00 \nATOM 2313 O ARG A 144 37.040 21.930 31.670 1.00 20.00 \nATOM 2314 N ALA A 145 38.070 23.650 30.750 1.00 20.00 \nATOM 2315 H ALA A 145 38.900 24.210 30.770 1.00 20.00 \nATOM 2316 CA ALA A 145 37.190 23.550 29.550 1.00 20.00 \nATOM 2317 HA ALA A 145 36.180 23.590 29.970 1.00 20.00 \nATOM 2318 CB ALA A 145 37.490 24.630 28.580 1.00 20.00 \nATOM 2319 HB1 ALA A 145 36.800 24.530 27.750 1.00 20.00 \nATOM 2320 HB2 ALA A 145 37.320 25.640 28.950 1.00 20.00 \nATOM 2321 HB3 ALA A 145 38.540 24.600 28.320 1.00 20.00 \nATOM 2322 C ALA A 145 37.330 22.080 28.930 1.00 20.00 \nATOM 2323 O ALA A 145 36.360 21.500 28.510 1.00 20.00 \nATOM 2324 N LYS A 146 38.570 21.540 28.880 1.00 20.00 \nATOM 2325 H LYS A 146 39.350 22.150 29.060 1.00 20.00 \nATOM 2326 CA LYS A 146 38.820 20.180 28.390 1.00 20.00 \nATOM 2327 HA LYS A 146 38.430 19.930 27.400 1.00 20.00 \nATOM 2328 CB LYS A 146 40.350 19.970 28.370 1.00 20.00 \nATOM 2329 HB2 LYS A 146 40.820 20.340 29.280 1.00 20.00 \nATOM 2330 HB3 LYS A 146 40.470 18.900 28.200 1.00 20.00 \nATOM 2331 CG LYS A 146 40.870 20.750 27.220 1.00 20.00 \nATOM 2332 HG2 LYS A 146 40.470 20.230 26.340 1.00 20.00 \nATOM 2333 HG3 LYS A 146 40.430 21.740 27.240 1.00 20.00 \nATOM 2334 CD LYS A 146 42.440 20.820 27.190 1.00 20.00 \nATOM 2335 HD2 LYS A 146 42.870 21.260 28.090 1.00 20.00 \nATOM 2336 HD3 LYS A 146 42.870 19.830 27.120 1.00 20.00 \nATOM 2337 CE LYS A 146 42.840 21.500 25.970 1.00 20.00 \nATOM 2338 HE2 LYS A 146 42.600 20.850 25.130 1.00 20.00 \nATOM 2339 HE3 LYS A 146 42.230 22.400 25.850 1.00 20.00 \nATOM 2340 NZ LYS A 146 44.280 21.800 25.990 1.00 20.00 \nATOM 2341 HZ1 LYS A 146 44.840 21.000 25.740 1.00 20.00 \nATOM 2342 HZ2 LYS A 146 44.470 22.440 25.230 1.00 20.00 \nATOM 2343 HZ3 LYS A 146 44.580 22.080 26.910 1.00 20.00 \nATOM 2344 C LYS A 146 38.180 19.130 29.280 1.00 20.00 \nATOM 2345 O LYS A 146 37.470 18.280 28.790 1.00 20.00 \nATOM 2346 N ARG A 147 38.460 19.110 30.590 1.00 20.00 \nATOM 2347 H ARG A 147 39.140 19.810 30.860 1.00 20.00 \nATOM 2348 CA ARG A 147 37.840 18.250 31.640 1.00 20.00 \nATOM 2349 HA ARG A 147 38.110 17.210 31.420 1.00 20.00 \nATOM 2350 CB ARG A 147 38.440 18.570 33.040 1.00 20.00 \nATOM 2351 HB2 ARG A 147 38.250 19.630 33.230 1.00 20.00 \nATOM 2352 HB3 ARG A 147 37.860 17.980 33.760 1.00 20.00 \nATOM 2353 CG ARG A 147 39.950 18.240 33.290 1.00 20.00 \nATOM 2354 HG2 ARG A 147 40.040 17.170 33.090 1.00 20.00 \nATOM 2355 HG3 ARG A 147 40.630 18.930 32.790 1.00 20.00 \nATOM 2356 CD ARG A 147 40.180 18.460 34.800 1.00 20.00 \nATOM 2357 HD2 ARG A 147 39.460 17.850 35.350 1.00 20.00 \nATOM 2358 HD3 ARG A 147 41.120 17.980 35.070 1.00 20.00 \nATOM 2359 NE ARG A 147 40.030 19.870 35.300 1.00 20.00 \nATOM 2360 HE ARG A 147 39.050 20.110 35.410 1.00 20.00 \nATOM 2361 CZ ARG A 147 40.950 20.670 35.770 1.00 20.00 \nATOM 2362 NH1 ARG A 147 42.200 20.500 35.520 1.00 20.00 \nATOM 2363 HH11 ARG A 147 42.520 19.800 34.870 1.00 20.00 \nATOM 2364 HH12 ARG A 147 42.910 21.170 35.770 1.00 20.00 \nATOM 2365 NH2 ARG A 147 40.600 21.750 36.350 1.00 20.00 \nATOM 2366 HH21 ARG A 147 39.650 21.810 36.680 1.00 20.00 \nATOM 2367 HH22 ARG A 147 41.360 22.390 36.520 1.00 20.00 \nATOM 2368 C ARG A 147 36.300 18.280 31.750 1.00 20.00 \nATOM 2369 O ARG A 147 35.680 17.170 31.670 1.00 20.00 \nATOM 2370 N VAL A 148 35.660 19.470 31.660 1.00 20.00 \nATOM 2371 H VAL A 148 36.190 20.330 31.670 1.00 20.00 \nATOM 2372 CA VAL A 148 34.220 19.610 31.400 1.00 20.00 \nATOM 2373 HA VAL A 148 33.620 19.190 32.220 1.00 20.00 \nATOM 2374 CB VAL A 148 33.900 21.100 31.530 1.00 20.00 \nATOM 2375 HB VAL A 148 34.440 21.770 30.850 1.00 20.00 \nATOM 2376 CG1 VAL A 148 32.360 21.330 31.380 1.00 20.00 \nATOM 2377 HG11 VAL A 148 32.060 22.350 31.620 1.00 20.00 \nATOM 2378 HG12 VAL A 148 32.000 21.050 30.390 1.00 20.00 \nATOM 2379 HG13 VAL A 148 31.930 20.710 32.160 1.00 20.00 \nATOM 2380 CG2 VAL A 148 34.190 21.550 32.950 1.00 20.00 \nATOM 2381 HG21 VAL A 148 33.680 20.830 33.580 1.00 20.00 \nATOM 2382 HG22 VAL A 148 35.250 21.410 33.180 1.00 20.00 \nATOM 2383 HG23 VAL A 148 33.780 22.550 33.110 1.00 20.00 \nATOM 2384 C VAL A 148 33.740 18.980 30.090 1.00 20.00 \nATOM 2385 O VAL A 148 32.880 18.160 30.140 1.00 20.00 \nATOM 2386 N ILE A 149 34.310 19.300 28.880 1.00 20.00 \nATOM 2387 H ILE A 149 35.160 19.840 28.950 1.00 20.00 \nATOM 2388 CA ILE A 149 34.020 18.670 27.600 1.00 20.00 \nATOM 2389 HA ILE A 149 33.000 18.810 27.240 1.00 20.00 \nATOM 2390 CB ILE A 149 34.940 19.390 26.550 1.00 20.00 \nATOM 2391 HB ILE A 149 35.980 19.380 26.870 1.00 20.00 \nATOM 2392 CG2 ILE A 149 34.950 18.580 25.200 1.00 20.00 \nATOM 2393 HG21 ILE A 149 35.320 17.560 25.320 1.00 20.00 \nATOM 2394 HG22 ILE A 149 33.930 18.520 24.810 1.00 20.00 \nATOM 2395 HG23 ILE A 149 35.630 19.130 24.560 1.00 20.00 \nATOM 2396 CG1 ILE A 149 34.480 20.870 26.320 1.00 20.00 \nATOM 2397 HG12 ILE A 149 33.450 20.860 25.980 1.00 20.00 \nATOM 2398 HG13 ILE A 149 34.470 21.350 27.290 1.00 20.00 \nATOM 2399 CD1 ILE A 149 35.360 21.790 25.480 1.00 20.00 \nATOM 2400 HD11 ILE A 149 36.390 21.490 25.680 1.00 20.00 \nATOM 2401 HD12 ILE A 149 35.260 21.660 24.400 1.00 20.00 \nATOM 2402 HD13 ILE A 149 35.170 22.850 25.630 1.00 20.00 \nATOM 2403 C ILE A 149 34.320 17.190 27.630 1.00 20.00 \nATOM 2404 O ILE A 149 33.570 16.350 27.080 1.00 20.00 \nATOM 2405 N THR A 150 35.420 16.710 28.270 1.00 20.00 \nATOM 2406 H THR A 150 36.060 17.370 28.690 1.00 20.00 \nATOM 2407 CA THR A 150 35.710 15.290 28.360 1.00 20.00 \nATOM 2408 HA THR A 150 35.670 14.710 27.450 1.00 20.00 \nATOM 2409 CB THR A 150 37.090 15.150 29.050 1.00 20.00 \nATOM 2410 HB THR A 150 37.020 15.700 29.990 1.00 20.00 \nATOM 2411 CG2 THR A 150 37.460 13.680 29.230 1.00 20.00 \nATOM 2412 HG21 THR A 150 37.520 13.210 28.240 1.00 20.00 \nATOM 2413 HG22 THR A 150 38.440 13.580 29.710 1.00 20.00 \nATOM 2414 HG23 THR A 150 36.820 13.180 29.940 1.00 20.00 \nATOM 2415 OG1 THR A 150 38.080 15.570 28.160 1.00 20.00 \nATOM 2416 HG1 THR A 150 37.950 16.520 28.090 1.00 20.00 \nATOM 2417 C THR A 150 34.600 14.520 29.140 1.00 20.00 \nATOM 2418 O THR A 150 34.260 13.390 28.800 1.00 20.00 \nATOM 2419 N THR A 151 34.110 15.120 30.250 1.00 20.00 \nATOM 2420 H THR A 151 34.480 16.030 30.490 1.00 20.00 \nATOM 2421 CA THR A 151 32.960 14.570 30.970 1.00 20.00 \nATOM 2422 HA THR A 151 33.140 13.590 31.420 1.00 20.00 \nATOM 2423 CB THR A 151 32.670 15.520 32.110 1.00 20.00 \nATOM 2424 HB THR A 151 32.240 16.430 31.690 1.00 20.00 \nATOM 2425 CG2 THR A 151 31.720 14.830 33.070 1.00 20.00 \nATOM 2426 HG21 THR A 151 31.470 15.520 33.870 1.00 20.00 \nATOM 2427 HG22 THR A 151 30.760 14.630 32.610 1.00 20.00 \nATOM 2428 HG23 THR A 151 32.140 13.870 33.370 1.00 20.00 \nATOM 2429 OG1 THR A 151 33.680 15.770 33.020 1.00 20.00 \nATOM 2430 HG1 THR A 151 34.370 16.130 32.470 1.00 20.00 \nATOM 2431 C THR A 151 31.700 14.450 30.110 1.00 20.00 \nATOM 2432 O THR A 151 31.010 13.460 30.230 1.00 20.00 \nATOM 2433 N PHE A 152 31.400 15.340 29.120 1.00 20.00 \nATOM 2434 H PHE A 152 32.130 16.010 28.950 1.00 20.00 \nATOM 2435 CA PHE A 152 30.230 15.300 28.130 1.00 20.00 \nATOM 2436 HA PHE A 152 29.260 15.090 28.580 1.00 20.00 \nATOM 2437 CB PHE A 152 30.100 16.640 27.340 1.00 20.00 \nATOM 2438 HB2 PHE A 152 31.060 16.990 26.960 1.00 20.00 \nATOM 2439 HB3 PHE A 152 29.430 16.450 26.490 1.00 20.00 \nATOM 2440 CG PHE A 152 29.450 17.760 28.160 1.00 20.00 \nATOM 2441 CD1 PHE A 152 28.120 17.590 28.520 1.00 20.00 \nATOM 2442 HD1 PHE A 152 27.620 16.640 28.420 1.00 20.00 \nATOM 2443 CE1 PHE A 152 27.430 18.600 29.190 1.00 20.00 \nATOM 2444 HE1 PHE A 152 26.440 18.450 29.610 1.00 20.00 \nATOM 2445 CZ PHE A 152 28.080 19.840 29.430 1.00 20.00 \nATOM 2446 HZ PHE A 152 27.430 20.630 29.790 1.00 20.00 \nATOM 2447 CE2 PHE A 152 29.420 20.040 29.070 1.00 20.00 \nATOM 2448 HE2 PHE A 152 29.950 20.970 29.220 1.00 20.00 \nATOM 2449 CD2 PHE A 152 30.130 18.930 28.550 1.00 20.00 \nATOM 2450 HD2 PHE A 152 31.210 18.980 28.450 1.00 20.00 \nATOM 2451 C PHE A 152 30.640 14.280 27.060 1.00 20.00 \nATOM 2452 O PHE A 152 29.780 13.660 26.400 1.00 20.00 \nATOM 2453 N ARG A 153 31.960 14.030 26.770 1.00 20.00 \nATOM 2454 H ARG A 153 32.640 14.610 27.250 1.00 20.00 \nATOM 2455 CA ARG A 153 32.520 12.980 25.830 1.00 20.00 \nATOM 2456 HA ARG A 153 31.870 12.980 24.950 1.00 20.00 \nATOM 2457 CB ARG A 153 34.050 13.110 25.510 1.00 20.00 \nATOM 2458 HB2 ARG A 153 34.160 14.190 25.390 1.00 20.00 \nATOM 2459 HB3 ARG A 153 34.630 12.780 26.370 1.00 20.00 \nATOM 2460 CG ARG A 153 34.460 12.390 24.230 1.00 20.00 \nATOM 2461 HG2 ARG A 153 35.530 12.430 24.000 1.00 20.00 \nATOM 2462 HG3 ARG A 153 34.310 11.330 24.400 1.00 20.00 \nATOM 2463 CD ARG A 153 33.940 12.980 22.880 1.00 20.00 \nATOM 2464 HD2 ARG A 153 32.850 12.870 22.850 1.00 20.00 \nATOM 2465 HD3 ARG A 153 34.220 14.030 22.850 1.00 20.00 \nATOM 2466 NE ARG A 153 34.430 12.210 21.710 1.00 20.00 \nATOM 2467 HE ARG A 153 33.700 11.600 21.350 1.00 20.00 \nATOM 2468 CZ ARG A 153 35.550 12.290 21.060 1.00 20.00 \nATOM 2469 NH1 ARG A 153 36.390 13.230 21.260 1.00 20.00 \nATOM 2470 HH11 ARG A 153 36.300 13.690 22.160 1.00 20.00 \nATOM 2471 HH12 ARG A 153 37.270 13.150 20.770 1.00 20.00 \nATOM 2472 NH2 ARG A 153 35.790 11.470 20.100 1.00 20.00 \nATOM 2473 HH21 ARG A 153 35.310 10.590 20.030 1.00 20.00 \nATOM 2474 HH22 ARG A 153 36.610 11.610 19.540 1.00 20.00 \nATOM 2475 C ARG A 153 32.180 11.580 26.380 1.00 20.00 \nATOM 2476 O ARG A 153 31.680 10.730 25.650 1.00 20.00 \nATOM 2477 N THR A 154 32.400 11.360 27.700 1.00 20.00 \nATOM 2478 H THR A 154 32.900 12.090 28.190 1.00 20.00 \nATOM 2479 CA THR A 154 32.420 10.020 28.300 1.00 20.00 \nATOM 2480 HA THR A 154 32.280 9.290 27.510 1.00 20.00 \nATOM 2481 CB THR A 154 33.740 9.560 28.930 1.00 20.00 \nATOM 2482 HB THR A 154 33.480 8.590 29.340 1.00 20.00 \nATOM 2483 CG2 THR A 154 34.830 9.400 27.870 1.00 20.00 \nATOM 2484 HG21 THR A 154 35.650 8.810 28.270 1.00 20.00 \nATOM 2485 HG22 THR A 154 34.360 8.970 26.990 1.00 20.00 \nATOM 2486 HG23 THR A 154 35.230 10.400 27.710 1.00 20.00 \nATOM 2487 OG1 THR A 154 34.050 10.550 29.900 1.00 20.00 \nATOM 2488 HG1 THR A 154 34.480 10.030 30.580 1.00 20.00 \nATOM 2489 C THR A 154 31.280 9.700 29.280 1.00 20.00 \nATOM 2490 O THR A 154 30.830 8.530 29.400 1.00 20.00 \nATOM 2491 N GLY A 155 30.790 10.750 29.940 1.00 20.00 \nATOM 2492 H GLY A 155 31.140 11.680 29.780 1.00 20.00 \nATOM 2493 CA GLY A 155 29.680 10.610 30.840 1.00 20.00 \nATOM 2494 HA2 GLY A 155 29.400 11.640 31.070 1.00 20.00 \nATOM 2495 HA3 GLY A 155 28.890 10.070 30.310 1.00 20.00 \nATOM 2496 C GLY A 155 30.020 9.870 32.140 1.00 20.00 \nATOM 2497 O GLY A 155 29.150 9.380 32.890 1.00 20.00 \nATOM 2498 N THR A 156 31.330 9.820 32.420 1.00 20.00 \nATOM 2499 H THR A 156 31.890 10.160 31.650 1.00 20.00 \nATOM 2500 CA THR A 156 32.000 9.120 33.460 1.00 20.00 \nATOM 2501 HA THR A 156 31.290 8.710 34.180 1.00 20.00 \nATOM 2502 CB THR A 156 33.030 8.030 32.990 1.00 20.00 \nATOM 2503 HB THR A 156 33.490 7.720 33.930 1.00 20.00 \nATOM 2504 CG2 THR A 156 32.400 6.890 32.200 1.00 20.00 \nATOM 2505 HG21 THR A 156 31.740 7.150 31.370 1.00 20.00 \nATOM 2506 HG22 THR A 156 33.230 6.260 31.850 1.00 20.00 \nATOM 2507 HG23 THR A 156 31.810 6.340 32.930 1.00 20.00 \nATOM 2508 OG1 THR A 156 34.010 8.490 32.070 1.00 20.00 \nATOM 2509 HG1 THR A 156 34.640 7.770 32.100 1.00 20.00 \nATOM 2510 C THR A 156 32.760 10.200 34.260 1.00 20.00 \nATOM 2511 O THR A 156 33.020 11.250 33.660 1.00 20.00 \nATOM 2512 N TRP A 157 33.130 9.880 35.570 1.00 20.00 \nATOM 2513 H TRP A 157 32.870 8.980 35.950 1.00 20.00 \nATOM 2514 CA TRP A 157 33.850 10.810 36.480 1.00 20.00 \nATOM 2515 HA TRP A 157 33.470 11.780 36.160 1.00 20.00 \nATOM 2516 CB TRP A 157 33.490 10.660 37.950 1.00 20.00 \nATOM 2517 HB2 TRP A 157 33.580 9.620 38.260 1.00 20.00 \nATOM 2518 HB3 TRP A 157 34.210 11.290 38.460 1.00 20.00 \nATOM 2519 CG TRP A 157 32.100 11.240 38.320 1.00 20.00 \nATOM 2520 CD1 TRP A 157 31.040 10.560 38.880 1.00 20.00 \nATOM 2521 HD1 TRP A 157 31.060 9.540 39.250 1.00 20.00 \nATOM 2522 NE1 TRP A 157 30.070 11.560 39.240 1.00 20.00 \nATOM 2523 HE1 TRP A 157 29.120 11.450 39.550 1.00 20.00 \nATOM 2524 CE2 TRP A 157 30.500 12.860 38.840 1.00 20.00 \nATOM 2525 CZ2 TRP A 157 29.940 14.140 38.920 1.00 20.00 \nATOM 2526 HZ2 TRP A 157 28.930 14.280 39.280 1.00 20.00 \nATOM 2527 CH2 TRP A 157 30.730 15.250 38.600 1.00 20.00 \nATOM 2528 HH2 TRP A 157 30.470 16.270 38.870 1.00 20.00 \nATOM 2529 CZ3 TRP A 157 32.030 15.070 38.180 1.00 20.00 \nATOM 2530 HZ3 TRP A 157 32.750 15.870 38.110 1.00 20.00 \nATOM 2531 CE3 TRP A 157 32.570 13.780 37.960 1.00 20.00 \nATOM 2532 HE3 TRP A 157 33.560 13.710 37.530 1.00 20.00 \nATOM 2533 CD2 TRP A 157 31.830 12.640 38.360 1.00 20.00 \nATOM 2534 C TRP A 157 35.380 10.920 36.160 1.00 20.00 \nATOM 2535 O TRP A 157 36.140 11.560 36.940 1.00 20.00 \nATOM 2536 N ASP A 158 35.870 10.480 34.960 1.00 20.00 \nATOM 2537 H ASP A 158 35.090 10.090 34.440 1.00 20.00 \nATOM 2538 CA ASP A 158 37.290 10.190 34.640 1.00 20.00 \nATOM 2539 HA ASP A 158 37.720 9.600 35.450 1.00 20.00 \nATOM 2540 CB ASP A 158 37.320 9.240 33.480 1.00 20.00 \nATOM 2541 HB2 ASP A 158 36.930 9.670 32.560 1.00 20.00 \nATOM 2542 HB3 ASP A 158 38.370 9.010 33.320 1.00 20.00 \nATOM 2543 CG ASP A 158 36.540 7.880 33.680 1.00 20.00 \nATOM 2544 OD1 ASP A 158 36.200 7.520 34.830 1.00 20.00 \nATOM 2545 OD2 ASP A 158 36.380 7.150 32.640 1.00 20.00 \nATOM 2546 C ASP A 158 38.130 11.460 34.470 1.00 20.00 \nATOM 2547 O ASP A 158 39.250 11.580 35.010 1.00 20.00 \nATOM 2548 N ALA A 159 37.480 12.510 33.950 1.00 20.00 \nATOM 2549 H ALA A 159 36.570 12.410 33.520 1.00 20.00 \nATOM 2550 CA ALA A 159 38.020 13.860 33.870 1.00 20.00 \nATOM 2551 HA ALA A 159 38.860 13.900 33.170 1.00 20.00 \nATOM 2552 CB ALA A 159 36.980 14.760 33.240 1.00 20.00 \nATOM 2553 HB1 ALA A 159 37.370 15.770 33.090 1.00 20.00 \nATOM 2554 HB2 ALA A 159 36.620 14.460 32.260 1.00 20.00 \nATOM 2555 HB3 ALA A 159 36.080 14.750 33.860 1.00 20.00 \nATOM 2556 C ALA A 159 38.540 14.430 35.220 1.00 20.00 \nATOM 2557 O ALA A 159 39.230 15.450 35.220 1.00 20.00 \nATOM 2558 N TYR A 160 38.120 13.830 36.310 1.00 20.00 \nATOM 2559 H TYR A 160 37.540 13.030 36.090 1.00 20.00 \nATOM 2560 CA TYR A 160 38.180 14.410 37.700 1.00 20.00 \nATOM 2561 HA TYR A 160 38.930 15.210 37.710 1.00 20.00 \nATOM 2562 CB TYR A 160 36.830 15.040 38.020 1.00 20.00 \nATOM 2563 HB2 TYR A 160 36.050 14.360 37.700 1.00 20.00 \nATOM 2564 HB3 TYR A 160 36.760 15.180 39.100 1.00 20.00 \nATOM 2565 CG TYR A 160 36.580 16.330 37.330 1.00 20.00 \nATOM 2566 CD1 TYR A 160 35.910 16.440 36.100 1.00 20.00 \nATOM 2567 HD1 TYR A 160 35.360 15.650 35.620 1.00 20.00 \nATOM 2568 CE1 TYR A 160 35.900 17.730 35.490 1.00 20.00 \nATOM 2569 HE1 TYR A 160 35.390 17.780 34.530 1.00 20.00 \nATOM 2570 CZ TYR A 160 36.450 18.900 36.080 1.00 20.00 \nATOM 2571 OH TYR A 160 36.210 20.130 35.550 1.00 20.00 \nATOM 2572 HH TYR A 160 36.310 20.830 36.200 1.00 20.00 \nATOM 2573 CE2 TYR A 160 37.080 18.750 37.320 1.00 20.00 \nATOM 2574 HE2 TYR A 160 37.520 19.600 37.820 1.00 20.00 \nATOM 2575 CD2 TYR A 160 37.160 17.470 37.930 1.00 20.00 \nATOM 2576 HD2 TYR A 160 37.740 17.280 38.820 1.00 20.00 \nATOM 2577 C TYR A 160 38.720 13.440 38.770 1.00 20.00 \nATOM 2578 O TYR A 160 39.590 13.870 39.550 1.00 20.00 \nATOM 2579 N LYS A 161 38.240 12.190 38.810 1.00 20.00 \nATOM 2580 H LYS A 161 37.510 11.880 38.180 1.00 20.00 \nATOM 2581 CA LYS A 161 38.960 11.110 39.610 1.00 20.00 \nATOM 2582 HA LYS A 161 39.170 11.380 40.640 1.00 20.00 \nATOM 2583 CB LYS A 161 38.010 9.960 39.650 1.00 20.00 \nATOM 2584 HB2 LYS A 161 36.990 10.150 39.300 1.00 20.00 \nATOM 2585 HB3 LYS A 161 38.370 9.410 38.780 1.00 20.00 \nATOM 2586 CG LYS A 161 38.160 9.110 40.920 1.00 20.00 \nATOM 2587 HG2 LYS A 161 39.230 8.950 41.080 1.00 20.00 \nATOM 2588 HG3 LYS A 161 37.620 9.670 41.680 1.00 20.00 \nATOM 2589 CD LYS A 161 37.430 7.750 40.870 1.00 20.00 \nATOM 2590 HD2 LYS A 161 37.260 7.420 41.890 1.00 20.00 \nATOM 2591 HD3 LYS A 161 36.500 7.880 40.320 1.00 20.00 \nATOM 2592 CE LYS A 161 38.210 6.670 40.120 1.00 20.00 \nATOM 2593 HE2 LYS A 161 38.120 6.910 39.060 1.00 20.00 \nATOM 2594 HE3 LYS A 161 39.260 6.610 40.400 1.00 20.00 \nATOM 2595 NZ LYS A 161 37.610 5.310 40.350 1.00 20.00 \nATOM 2596 HZ1 LYS A 161 37.390 5.080 41.310 1.00 20.00 \nATOM 2597 HZ2 LYS A 161 36.780 5.240 39.780 1.00 20.00 \nATOM 2598 HZ3 LYS A 161 38.210 4.570 40.010 1.00 20.00 \nATOM 2599 C LYS A 161 40.380 10.640 39.060 1.00 20.00 \nATOM 2600 O LYS A 161 41.270 10.280 39.830 1.00 20.00 \nATOM 2601 N ASN A 162 40.670 10.730 37.730 1.00 20.00 \nATOM 2602 H ASN A 162 39.900 11.120 37.210 1.00 20.00 \nATOM 2603 CA ASN A 162 41.770 10.100 37.120 1.00 20.00 \nATOM 2604 HA ASN A 162 42.370 9.560 37.850 1.00 20.00 \nATOM 2605 CB ASN A 162 41.320 9.150 36.020 1.00 20.00 \nATOM 2606 HB2 ASN A 162 40.530 9.640 35.460 1.00 20.00 \nATOM 2607 HB3 ASN A 162 42.210 8.900 35.450 1.00 20.00 \nATOM 2608 CG ASN A 162 40.690 7.870 36.740 1.00 20.00 \nATOM 2609 OD1 ASN A 162 39.540 7.890 37.200 1.00 20.00 \nATOM 2610 ND2 ASN A 162 41.480 6.830 37.000 1.00 20.00 \nATOM 2611 HD21 ASN A 162 41.080 6.200 37.690 1.00 20.00 \nATOM 2612 HD22 ASN A 162 42.470 6.870 36.820 1.00 20.00 \nATOM 2613 C ASN A 162 42.670 11.260 36.640 1.00 20.00 \nATOM 2614 O ASN A 162 42.910 11.420 35.410 1.00 20.00 \nATOM 2615 N LEU A 163 43.180 12.160 37.520 1.00 20.00 \nATOM 2616 H LEU A 163 42.970 12.020 38.500 1.00 20.00 \nATOM 2617 CA LEU A 163 44.140 13.330 37.210 1.00 20.00 \nATOM 2618 HA LEU A 163 43.680 13.770 36.320 1.00 20.00 \nATOM 2619 CB LEU A 163 43.960 14.390 38.330 1.00 20.00 \nATOM 2620 HB2 LEU A 163 44.310 14.050 39.300 1.00 20.00 \nATOM 2621 HB3 LEU A 163 44.620 15.220 38.070 1.00 20.00 \nATOM 2622 CG LEU A 163 42.550 15.060 38.470 1.00 20.00 \nATOM 2623 HG LEU A 163 41.900 14.240 38.780 1.00 20.00 \nATOM 2624 CD1 LEU A 163 42.560 16.170 39.480 1.00 20.00 \nATOM 2625 HD11 LEU A 163 43.190 15.790 40.280 1.00 20.00 \nATOM 2626 HD12 LEU A 163 43.000 17.070 39.050 1.00 20.00 \nATOM 2627 HD13 LEU A 163 41.540 16.320 39.850 1.00 20.00 \nATOM 2628 CD2 LEU A 163 42.020 15.470 37.090 1.00 20.00 \nATOM 2629 HD21 LEU A 163 41.780 14.570 36.520 1.00 20.00 \nATOM 2630 HD22 LEU A 163 41.130 16.070 37.270 1.00 20.00 \nATOM 2631 HD23 LEU A 163 42.850 15.980 36.600 1.00 20.00 \nATOM 2632 C LEU A 163 45.610 12.910 36.910 1.00 20.00 \nATOM 2633 O LEU A 163 46.230 12.110 37.680 1.00 20.00 \nATOM 2634 OXT LEU A 163 46.200 13.290 35.840 1.00 20.00 \nTER 2635 LEU A 163 \nCONECT 1 2 3 4 5\nCONECT 5 6 7 18\nCONECT 7 8 9 10\nCONECT 10 11 12 13\nCONECT 13 14\nCONECT 14 15 16 17\nCONECT 18 19 20\nCONECT 20 21 22\nCONECT 22 23 24 32\nCONECT 24 25 26 27\nCONECT 27 28 29\nCONECT 29 30 31\nCONECT 32 33 34\nCONECT 34 35 36\nCONECT 36 37 38 51\nCONECT 38 39 40 44\nCONECT 40 41 42 43\nCONECT 44 45 46 47\nCONECT 47 48 49 50\nCONECT 51 52 53\nCONECT 53 54 55\nCONECT 55 56 57 71\nCONECT 57 58 59 60\nCONECT 60 61 69\nCONECT 61 62 63\nCONECT 63 64 65\nCONECT 65 66 67\nCONECT 67 68 69\nCONECT 69 70\nCONECT 71 72 73\nCONECT 73 74 75\nCONECT 75 76 77 86\nCONECT 77 78 79 80\nCONECT 80 81 82 83\nCONECT 83 84 85\nCONECT 86 87 88\nCONECT 88 89 90\nCONECT 90 91 92 103\nCONECT 92 93 94 95\nCONECT 95 96 97 98\nCONECT 98 99\nCONECT 99 100 101 102\nCONECT 103 104 105\nCONECT 105 106 107\nCONECT 107 108 109 122\nCONECT 109 110 111 112\nCONECT 112 113 114 118\nCONECT 114 115 116 117\nCONECT 118 119 120 121\nCONECT 122 123 124\nCONECT 124 125 126\nCONECT 126 127 128 146\nCONECT 128 129 130 131\nCONECT 131 132 133 134\nCONECT 134 135 136 137\nCONECT 137 138 139\nCONECT 139 140 143\nCONECT 140 141 142\nCONECT 143 144 145\nCONECT 146 147 148\nCONECT 148 149 150\nCONECT 150 151 152 165\nCONECT 152 153 154 158\nCONECT 154 155 156 157\nCONECT 158 159 160 161\nCONECT 161 162 163 164\nCONECT 165 166 167\nCONECT 167 168 169\nCONECT 169 170 171 177\nCONECT 171 172 173 174\nCONECT 174 175 176\nCONECT 177 178 179\nCONECT 179 180 181\nCONECT 181 182 183 192\nCONECT 183 184 185 186\nCONECT 186 187 188 189\nCONECT 189 190 191\nCONECT 192 193 194\nCONECT 194 195 196\nCONECT 196 197 198 199\nCONECT 199 200 201\nCONECT 201 202 203\nCONECT 203 204 205 218\nCONECT 205 206 207 208\nCONECT 208 209 210 214\nCONECT 210 211 212 213\nCONECT 214 215 216 217\nCONECT 218 219 220\nCONECT 220 221 222\nCONECT 222 223 224 242\nCONECT 224 225 226 227\nCONECT 227 228 229 230\nCONECT 230 231 232 233\nCONECT 233 234 235\nCONECT 235 236 239\nCONECT 236 237 238\nCONECT 239 240 241\nCONECT 242 243 244\nCONECT 244 245 246\nCONECT 246 247 248 261\nCONECT 248 249 250 251\nCONECT 251 252 253 257\nCONECT 253 254 255 256\nCONECT 257 258 259 260\nCONECT 261 262 263\nCONECT 263 264 265\nCONECT 265 266 267 283\nCONECT 267 268 269 270\nCONECT 270 271 272 273\nCONECT 273 274 275 276\nCONECT 276 277 278 279\nCONECT 279 280 281 282\nCONECT 283 284 285\nCONECT 285 286 287\nCONECT 287 288 289 302\nCONECT 289 290 291 295\nCONECT 291 292 293 294\nCONECT 295 296 297 298\nCONECT 298 299 300 301\nCONECT 302 303 304\nCONECT 304 305 306\nCONECT 306 307 308 323\nCONECT 308 309 310 311\nCONECT 311 312 321\nCONECT 312 313 314\nCONECT 314 315 316\nCONECT 316 317 319\nCONECT 317 318\nCONECT 319 320 321\nCONECT 321 322\nCONECT 323 324 325\nCONECT 325 326 327\nCONECT 327 328 329 345\nCONECT 329 330 331 332\nCONECT 332 333 334 335\nCONECT 335 336 337 338\nCONECT 338 339 340 341\nCONECT 341 342 343 344\nCONECT 345 346 347\nCONECT 347 348 349\nCONECT 349 350 351 357\nCONECT 351 352 353 354\nCONECT 354 355 356\nCONECT 357 358 359\nCONECT 359 360 361\nCONECT 361 362 363 371\nCONECT 363 364 365 369\nCONECT 365 366 367 368\nCONECT 369 370\nCONECT 371 372 373\nCONECT 373 374 375\nCONECT 375 376 377 386\nCONECT 377 378 379 380\nCONECT 380 381 382 383\nCONECT 383 384 385\nCONECT 386 387 388\nCONECT 388 389 390\nCONECT 390 391 392 393\nCONECT 393 394 395\nCONECT 395 396 397\nCONECT 397 398 399 414\nCONECT 399 400 401 402\nCONECT 402 403 412\nCONECT 403 404 405\nCONECT 405 406 407\nCONECT 407 408 410\nCONECT 408 409\nCONECT 410 411 412\nCONECT 412 413\nCONECT 414 415 416\nCONECT 416 417 418\nCONECT 418 419 420 435\nCONECT 420 421 422 423\nCONECT 423 424 433\nCONECT 424 425 426\nCONECT 426 427 428\nCONECT 428 429 431\nCONECT 429 430\nCONECT 431 432 433\nCONECT 433 434\nCONECT 435 436 437\nCONECT 437 438 439\nCONECT 439 440 441 449\nCONECT 441 442 443 447\nCONECT 443 444 445 446\nCONECT 447 448\nCONECT 449 450 451\nCONECT 451 452 453\nCONECT 453 454 455 468\nCONECT 455 456 457 461\nCONECT 457 458 459 460\nCONECT 461 462 463 464\nCONECT 464 465 466 467\nCONECT 468 469 470\nCONECT 470 471 472\nCONECT 472 473 474 475\nCONECT 475 476 477\nCONECT 477 478 479\nCONECT 479 480 481 494\nCONECT 481 482 483 487\nCONECT 483 484 485 486\nCONECT 487 488 489 490\nCONECT 490 491 492 493\nCONECT 494 495 496\nCONECT 496 497 498\nCONECT 498 499 500 501\nCONECT 501 502 503\nCONECT 503 504 505\nCONECT 505 506 507 518\nCONECT 507 508 509 510\nCONECT 510 511 516\nCONECT 511 512\nCONECT 512 513 514\nCONECT 514 515 516\nCONECT 516 517\nCONECT 518 519 520\nCONECT 520 521 522\nCONECT 522 523 524 537\nCONECT 524 525 526 527\nCONECT 527 528 529 533\nCONECT 529 530 531 532\nCONECT 533 534 535 536\nCONECT 537 538 539\nCONECT 539 540 541\nCONECT 541 542 543 556\nCONECT 543 544 545 546\nCONECT 546 547 548 552\nCONECT 548 549 550 551\nCONECT 552 553 554 555\nCONECT 556 557 558\nCONECT 558 559 560\nCONECT 560 561 562 570\nCONECT 562 563 564 568\nCONECT 564 565 566 567\nCONECT 568 569\nCONECT 570 571 572\nCONECT 572 573 574\nCONECT 574 575 576 592\nCONECT 576 577 578 579\nCONECT 579 580 581 582\nCONECT 582 583 584 585\nCONECT 585 586 587 588\nCONECT 588 589 590 591\nCONECT 592 593 594\nCONECT 594 595 596\nCONECT 596 597 598 603\nCONECT 598 599 600 601\nCONECT 601 602\nCONECT 603 604 605\nCONECT 605 606 615\nCONECT 606 607 608 609\nCONECT 609 610 611 612\nCONECT 612 613 614 615\nCONECT 615 616 617\nCONECT 617 618 619\nCONECT 619 620 621\nCONECT 621 622 623 628\nCONECT 623 624 625 626\nCONECT 626 627\nCONECT 628 629 630\nCONECT 630 631 632\nCONECT 632 633 634 647\nCONECT 634 635 636 637\nCONECT 637 638 639 643\nCONECT 639 640 641 642\nCONECT 643 644 645 646\nCONECT 647 648 649\nCONECT 649 650 651\nCONECT 651 652 653 661\nCONECT 653 654 655 656\nCONECT 656 657 658\nCONECT 658 659 660\nCONECT 661 662 663\nCONECT 663 664 665\nCONECT 665 666 667 671\nCONECT 667 668 669 670\nCONECT 671 672 673\nCONECT 673 674 675\nCONECT 675 676 677 681\nCONECT 677 678 679 680\nCONECT 681 682 683\nCONECT 683 684 685\nCONECT 685 686 687 703\nCONECT 687 688 689 690\nCONECT 690 691 692 693\nCONECT 693 694 695 696\nCONECT 696 697 698 699\nCONECT 699 700 701 702\nCONECT 703 704 705\nCONECT 705 706 707\nCONECT 707 708 709 714\nCONECT 709 710 711 712\nCONECT 712 713\nCONECT 714 715 716\nCONECT 716 717 718\nCONECT 718 719 720 729\nCONECT 720 721 722 723\nCONECT 723 724 725 726\nCONECT 726 727 728\nCONECT 729 730 731\nCONECT 731 732 733\nCONECT 733 734 735 748\nCONECT 735 736 737 738\nCONECT 738 739 740 744\nCONECT 740 741 742 743\nCONECT 744 745 746 747\nCONECT 748 749 750\nCONECT 750 751 752\nCONECT 752 753 754 760\nCONECT 754 755 756 757\nCONECT 757 758 759\nCONECT 760 761 762\nCONECT 762 763 764\nCONECT 764 765 766 782\nCONECT 766 767 768 769\nCONECT 769 770 771 772\nCONECT 772 773 774 775\nCONECT 775 776 777 778\nCONECT 778 779 780 781\nCONECT 782 783 784\nCONECT 784 785 786\nCONECT 786 787 788 792\nCONECT 788 789 790 791\nCONECT 792 793 794\nCONECT 794 795 796\nCONECT 796 797 798 811\nCONECT 798 799 800 804\nCONECT 800 801 802 803\nCONECT 804 805 806 807\nCONECT 807 808 809 810\nCONECT 811 812 813\nCONECT 813 814 815\nCONECT 815 816 817 818\nCONECT 818 819 820\nCONECT 820 821 822\nCONECT 822 823 824 842\nCONECT 824 825 826 827\nCONECT 827 828 829 830\nCONECT 830 831 832 833\nCONECT 833 834 835\nCONECT 835 836 839\nCONECT 836 837 838\nCONECT 839 840 841\nCONECT 842 843 844\nCONECT 844 845 846\nCONECT 846 847 848 856\nCONECT 848 849 850 851\nCONECT 851 852 853\nCONECT 853 854 855\nCONECT 856 857 858\nCONECT 858 859 860\nCONECT 860 861 862 867\nCONECT 862 863 864 865\nCONECT 865 866\nCONECT 867 868 869\nCONECT 869 870 871\nCONECT 871 872 873 881\nCONECT 873 874 875 876\nCONECT 876 877 878\nCONECT 878 879 880\nCONECT 881 882 883\nCONECT 883 884 885\nCONECT 885 886 887 888\nCONECT 888 889 890\nCONECT 890 891 892\nCONECT 892 893 894 904\nCONECT 894 895 896 900\nCONECT 896 897 898 899\nCONECT 900 901 902 903\nCONECT 904 905 906\nCONECT 906 907 908\nCONECT 908 909 910 923\nCONECT 910 911 912 916\nCONECT 912 913 914 915\nCONECT 916 917 918 919\nCONECT 919 920 921 922\nCONECT 923 924 925\nCONECT 925 926 927\nCONECT 927 928 929 937\nCONECT 929 930 931 935\nCONECT 931 932 933 934\nCONECT 935 936\nCONECT 937 938 939\nCONECT 939 940 941\nCONECT 941 942 943 959\nCONECT 943 944 945 946\nCONECT 946 947 948 949\nCONECT 949 950 951 952\nCONECT 952 953 954 955\nCONECT 955 956 957 958\nCONECT 959 960 961\nCONECT 961 962 963\nCONECT 963 964 965 971\nCONECT 965 966 967 968\nCONECT 968 969 970\nCONECT 971 972 973\nCONECT 973 974 975\nCONECT 975 976 977 986\nCONECT 977 978 979 980\nCONECT 980 981 982 983\nCONECT 983 984 985\nCONECT 986 987 988\nCONECT 988 989 990\nCONECT 990 991 992 996\nCONECT 992 993 994 995\nCONECT 996 997 998\nCONECT 998 999 1000\nCONECT 1000 1001 1002 1011\nCONECT 1002 1003 1004 1005\nCONECT 1005 1006 1007 1008\nCONECT 1008 1009 1010\nCONECT 1011 1012 1013\nCONECT 1013 1014 1015\nCONECT 1015 1016 1017 1033\nCONECT 1017 1018 1019 1020\nCONECT 1020 1021 1022 1023\nCONECT 1023 1024 1025 1026\nCONECT 1026 1027 1028 1029\nCONECT 1029 1030 1031 1032\nCONECT 1033 1034 1035\nCONECT 1035 1036 1037\nCONECT 1037 1038 1039 1052\nCONECT 1039 1040 1041 1042\nCONECT 1042 1043 1044 1048\nCONECT 1044 1045 1046 1047\nCONECT 1048 1049 1050 1051\nCONECT 1052 1053 1054\nCONECT 1054 1055 1056\nCONECT 1056 1057 1058 1072\nCONECT 1058 1059 1060 1061\nCONECT 1061 1062 1070\nCONECT 1062 1063 1064\nCONECT 1064 1065 1066\nCONECT 1066 1067 1068\nCONECT 1068 1069 1070\nCONECT 1070 1071\nCONECT 1072 1073 1074\nCONECT 1074 1075 1076\nCONECT 1076 1077 1078 1086\nCONECT 1078 1079 1080 1081\nCONECT 1081 1082 1083\nCONECT 1083 1084 1085\nCONECT 1086 1087 1088\nCONECT 1088 1089 1090\nCONECT 1090 1091 1092 1103\nCONECT 1092 1093 1094 1095\nCONECT 1095 1096 1097 1098\nCONECT 1098 1099 1100\nCONECT 1100 1101 1102\nCONECT 1103 1104 1105\nCONECT 1105 1106 1107\nCONECT 1107 1108 1109 1115\nCONECT 1109 1110 1111 1112\nCONECT 1112 1113 1114\nCONECT 1115 1116 1117\nCONECT 1117 1118 1119\nCONECT 1119 1120 1121 1131\nCONECT 1121 1122 1123 1127\nCONECT 1123 1124 1125 1126\nCONECT 1127 1128 1129 1130\nCONECT 1131 1132 1133\nCONECT 1133 1134 1135\nCONECT 1135 1136 1137 1143\nCONECT 1137 1138 1139 1140\nCONECT 1140 1141 1142\nCONECT 1143 1144 1145\nCONECT 1145 1146 1147\nCONECT 1147 1148 1149 1153\nCONECT 1149 1150 1151 1152\nCONECT 1153 1154 1155\nCONECT 1155 1156 1157\nCONECT 1157 1158 1159 1163\nCONECT 1159 1160 1161 1162\nCONECT 1163 1164 1165\nCONECT 1165 1166 1167\nCONECT 1167 1168 1169 1179\nCONECT 1169 1170 1171 1175\nCONECT 1171 1172 1173 1174\nCONECT 1175 1176 1177 1178\nCONECT 1179 1180 1181\nCONECT 1181 1182 1183\nCONECT 1183 1184 1185 1203\nCONECT 1185 1186 1187 1188\nCONECT 1188 1189 1190 1191\nCONECT 1191 1192 1193 1194\nCONECT 1194 1195 1196\nCONECT 1196 1197 1200\nCONECT 1197 1198 1199\nCONECT 1200 1201 1202\nCONECT 1203 1204 1205\nCONECT 1205 1206 1207\nCONECT 1207 1208 1209 1210\nCONECT 1210 1211 1212\nCONECT 1212 1213 1214\nCONECT 1214 1215 1216 1229\nCONECT 1216 1217 1218 1222\nCONECT 1218 1219 1220 1221\nCONECT 1222 1223 1224 1225\nCONECT 1225 1226 1227 1228\nCONECT 1229 1230 1231\nCONECT 1231 1232 1233\nCONECT 1233 1234 1235 1248\nCONECT 1235 1236 1237 1238\nCONECT 1238 1239 1240 1244\nCONECT 1240 1241 1242 1243\nCONECT 1244 1245 1246 1247\nCONECT 1248 1249 1250\nCONECT 1250 1251 1252\nCONECT 1252 1253 1254 1272\nCONECT 1254 1255 1256 1257\nCONECT 1257 1258 1259 1260\nCONECT 1260 1261 1262 1263\nCONECT 1263 1264 1265\nCONECT 1265 1266 1269\nCONECT 1266 1267 1268\nCONECT 1269 1270 1271\nCONECT 1272 1273 1274\nCONECT 1274 1275 1276\nCONECT 1276 1277 1278 1286\nCONECT 1278 1279 1280 1281\nCONECT 1281 1282 1283\nCONECT 1283 1284 1285\nCONECT 1286 1287 1288\nCONECT 1288 1289 1290\nCONECT 1290 1291 1292 1296\nCONECT 1292 1293 1294 1295\nCONECT 1296 1297 1298\nCONECT 1298 1299 1300\nCONECT 1300 1301 1302 1318\nCONECT 1302 1303 1304 1305\nCONECT 1305 1306 1307 1308\nCONECT 1308 1309 1310 1311\nCONECT 1311 1312 1313 1314\nCONECT 1314 1315 1316 1317\nCONECT 1318 1319 1320\nCONECT 1320 1321 1322\nCONECT 1322 1323 1324 1337\nCONECT 1324 1325 1326 1327\nCONECT 1327 1328 1329 1333\nCONECT 1329 1330 1331 1332\nCONECT 1333 1334 1335 1336\nCONECT 1337 1338 1339\nCONECT 1339 1340 1341\nCONECT 1341 1342 1343 1359\nCONECT 1343 1344 1345 1346\nCONECT 1346 1347 1348 1349\nCONECT 1349 1350 1351 1352\nCONECT 1352 1353 1354 1355\nCONECT 1355 1356 1357 1358\nCONECT 1359 1360 1361\nCONECT 1361 1362 1371\nCONECT 1362 1363 1364 1365\nCONECT 1365 1366 1367 1368\nCONECT 1368 1369 1370 1371\nCONECT 1371 1372 1373\nCONECT 1373 1374 1375\nCONECT 1375 1376 1377\nCONECT 1377 1378 1379 1389\nCONECT 1379 1380 1381 1385\nCONECT 1381 1382 1383 1384\nCONECT 1385 1386 1387 1388\nCONECT 1389 1390 1391\nCONECT 1391 1392 1393\nCONECT 1393 1394 1395 1410\nCONECT 1395 1396 1397 1398\nCONECT 1398 1399 1408\nCONECT 1399 1400 1401\nCONECT 1401 1402 1403\nCONECT 1403 1404 1406\nCONECT 1404 1405\nCONECT 1406 1407 1408\nCONECT 1408 1409\nCONECT 1410 1411 1412\nCONECT 1412 1413 1414\nCONECT 1414 1415 1416 1422\nCONECT 1416 1417 1418 1419\nCONECT 1419 1420 1421\nCONECT 1422 1423 1424\nCONECT 1424 1425 1426\nCONECT 1426 1427 1428 1433\nCONECT 1428 1429 1430 1431\nCONECT 1431 1432\nCONECT 1433 1434 1435\nCONECT 1435 1436 1437\nCONECT 1437 1438 1439 1452\nCONECT 1439 1440 1441 1442\nCONECT 1442 1443 1444 1448\nCONECT 1444 1445 1446 1447\nCONECT 1448 1449 1450 1451\nCONECT 1452 1453 1454\nCONECT 1454 1455 1456\nCONECT 1456 1457 1458 1464\nCONECT 1458 1459 1460 1461\nCONECT 1461 1462 1463\nCONECT 1464 1465 1466\nCONECT 1466 1467 1468\nCONECT 1468 1469 1470 1474\nCONECT 1470 1471 1472 1473\nCONECT 1474 1475 1476\nCONECT 1476 1477 1478\nCONECT 1478 1479 1480 1490\nCONECT 1480 1481 1482 1486\nCONECT 1482 1483 1484 1485\nCONECT 1486 1487 1488 1489\nCONECT 1490 1491 1492\nCONECT 1492 1493 1494\nCONECT 1494 1495 1496 1514\nCONECT 1496 1497 1498 1499\nCONECT 1499 1500 1501 1502\nCONECT 1502 1503 1504 1505\nCONECT 1505 1506 1507\nCONECT 1507 1508 1511\nCONECT 1508 1509 1510\nCONECT 1511 1512 1513\nCONECT 1514 1515 1516\nCONECT 1516 1517 1518\nCONECT 1518 1519 1520 1538\nCONECT 1520 1521 1522 1523\nCONECT 1523 1524 1525 1526\nCONECT 1526 1527 1528 1529\nCONECT 1529 1530 1531\nCONECT 1531 1532 1535\nCONECT 1532 1533 1534\nCONECT 1535 1536 1537\nCONECT 1538 1539 1540\nCONECT 1540 1541 1542\nCONECT 1542 1543 1544 1549\nCONECT 1544 1545 1546 1547\nCONECT 1547 1548\nCONECT 1549 1550 1551\nCONECT 1551 1552 1553\nCONECT 1553 1554 1555 1559\nCONECT 1555 1556 1557 1558\nCONECT 1559 1560 1561\nCONECT 1561 1562 1563\nCONECT 1563 1564 1565 1569\nCONECT 1565 1566 1567 1568\nCONECT 1569 1570 1571\nCONECT 1571 1572 1573\nCONECT 1573 1574 1575 1588\nCONECT 1575 1576 1577 1581\nCONECT 1577 1578 1579 1580\nCONECT 1581 1582 1583 1584\nCONECT 1584 1585 1586 1587\nCONECT 1588 1589 1590\nCONECT 1590 1591 1592\nCONECT 1592 1593 1594 1602\nCONECT 1594 1595 1596 1597\nCONECT 1597 1598 1599\nCONECT 1599 1600 1601\nCONECT 1602 1603 1604\nCONECT 1604 1605 1606\nCONECT 1606 1607 1608 1619\nCONECT 1608 1609 1610 1611\nCONECT 1611 1612 1613 1614\nCONECT 1614 1615\nCONECT 1615 1616 1617 1618\nCONECT 1619 1620 1621\nCONECT 1621 1622 1623\nCONECT 1623 1624 1625 1635\nCONECT 1625 1626 1627 1631\nCONECT 1627 1628 1629 1630\nCONECT 1631 1632 1633 1634\nCONECT 1635 1636 1637\nCONECT 1637 1638 1639\nCONECT 1639 1640 1641 1655\nCONECT 1641 1642 1643 1644\nCONECT 1644 1645 1653\nCONECT 1645 1646 1647\nCONECT 1647 1648 1649\nCONECT 1649 1650 1651\nCONECT 1651 1652 1653\nCONECT 1653 1654\nCONECT 1655 1656 1657\nCONECT 1657 1658 1659\nCONECT 1659 1660 1661 1672\nCONECT 1661 1662 1663 1664\nCONECT 1664 1665 1666 1667\nCONECT 1667 1668 1669\nCONECT 1669 1670 1671\nCONECT 1672 1673 1674\nCONECT 1674 1675 1676\nCONECT 1676 1677 1678 1689\nCONECT 1678 1679 1680 1681\nCONECT 1681 1682 1683 1684\nCONECT 1684 1685\nCONECT 1685 1686 1687 1688\nCONECT 1689 1690 1691\nCONECT 1691 1692 1693\nCONECT 1693 1694 1695 1696\nCONECT 1696 1697 1698\nCONECT 1698 1699 1700\nCONECT 1700 1701 1702 1711\nCONECT 1702 1703 1704 1705\nCONECT 1705 1706 1707 1708\nCONECT 1708 1709 1710\nCONECT 1711 1712 1713\nCONECT 1713 1714 1715\nCONECT 1715 1716 1717 1725\nCONECT 1717 1718 1719 1723\nCONECT 1719 1720 1721 1722\nCONECT 1723 1724\nCONECT 1725 1726 1727\nCONECT 1727 1728 1729\nCONECT 1729 1730 1731 1732\nCONECT 1732 1733 1734\nCONECT 1734 1735 1736\nCONECT 1736 1737 1738 1748\nCONECT 1738 1739 1740 1744\nCONECT 1740 1741 1742 1743\nCONECT 1744 1745 1746 1747\nCONECT 1748 1749 1750\nCONECT 1750 1751 1752\nCONECT 1752 1753 1754 1758\nCONECT 1754 1755 1756 1757\nCONECT 1758 1759 1760\nCONECT 1760 1761 1762\nCONECT 1762 1763 1764 1765\nCONECT 1765 1766 1767\nCONECT 1767 1768 1769\nCONECT 1769 1770 1771 1785\nCONECT 1771 1772 1773 1774\nCONECT 1774 1775 1783\nCONECT 1775 1776 1777\nCONECT 1777 1778 1779\nCONECT 1779 1780 1781\nCONECT 1781 1782 1783\nCONECT 1783 1784\nCONECT 1785 1786 1787\nCONECT 1787 1788 1789\nCONECT 1789 1790 1791 1799\nCONECT 1791 1792 1793 1797\nCONECT 1793 1794 1795 1796\nCONECT 1797 1798\nCONECT 1799 1800 1801\nCONECT 1801 1802 1803\nCONECT 1803 1804 1805 1813\nCONECT 1805 1806 1807 1808\nCONECT 1808 1809 1810\nCONECT 1810 1811 1812\nCONECT 1813 1814 1815\nCONECT 1815 1816 1817\nCONECT 1817 1818 1819 1824\nCONECT 1819 1820 1821 1822\nCONECT 1822 1823\nCONECT 1824 1825 1826\nCONECT 1826 1827 1828\nCONECT 1828 1829 1830 1843\nCONECT 1830 1831 1832 1833\nCONECT 1833 1834 1835 1839\nCONECT 1835 1836 1837 1838\nCONECT 1839 1840 1841 1842\nCONECT 1843 1844 1845\nCONECT 1845 1846 1847\nCONECT 1847 1848 1849 1867\nCONECT 1849 1850 1851 1852\nCONECT 1852 1853 1854 1855\nCONECT 1855 1856 1857 1858\nCONECT 1858 1859 1860\nCONECT 1860 1861 1864\nCONECT 1861 1862 1863\nCONECT 1864 1865 1866\nCONECT 1867 1868 1869\nCONECT 1869 1870 1871\nCONECT 1871 1872 1873 1884\nCONECT 1873 1874 1875 1876\nCONECT 1876 1877 1878 1879\nCONECT 1879 1880\nCONECT 1880 1881 1882 1883\nCONECT 1884 1885 1886\nCONECT 1886 1887 1888\nCONECT 1888 1889 1890 1903\nCONECT 1890 1891 1892 1893\nCONECT 1893 1894 1895 1899\nCONECT 1895 1896 1897 1898\nCONECT 1899 1900 1901 1902\nCONECT 1903 1904 1905\nCONECT 1905 1906 1907\nCONECT 1907 1908 1909 1920\nCONECT 1909 1910 1911 1912\nCONECT 1912 1913 1914 1915\nCONECT 1915 1916 1917\nCONECT 1917 1918 1919\nCONECT 1920 1921 1922\nCONECT 1922 1923 1924\nCONECT 1924 1925 1926 1937\nCONECT 1926 1927 1928 1929\nCONECT 1929 1930 1931 1932\nCONECT 1932 1933 1934\nCONECT 1934 1935 1936\nCONECT 1937 1938 1939\nCONECT 1939 1940 1941\nCONECT 1941 1942 1943 1959\nCONECT 1943 1944 1945 1946\nCONECT 1946 1947 1948 1949\nCONECT 1949 1950 1951 1952\nCONECT 1952 1953 1954 1955\nCONECT 1955 1956 1957 1958\nCONECT 1959 1960 1961\nCONECT 1961 1962 1963\nCONECT 1963 1964 1965 1983\nCONECT 1965 1966 1967 1968\nCONECT 1968 1969 1970 1971\nCONECT 1971 1972 1973 1974\nCONECT 1974 1975 1976\nCONECT 1976 1977 1980\nCONECT 1977 1978 1979\nCONECT 1980 1981 1982\nCONECT 1983 1984 1985\nCONECT 1985 1986 1987\nCONECT 1987 1988 1989 2007\nCONECT 1989 1990 1991 1992\nCONECT 1992 1993 2006\nCONECT 1993 1994 1995\nCONECT 1995 1996 1997\nCONECT 1997 1998 2006\nCONECT 1998 1999 2000\nCONECT 2000 2001 2002\nCONECT 2002 2003 2004\nCONECT 2004 2005 2006\nCONECT 2007 2008 2009\nCONECT 2009 2010 2011\nCONECT 2011 2012 2013 2019\nCONECT 2013 2014 2015 2016\nCONECT 2016 2017 2018\nCONECT 2019 2020 2021\nCONECT 2021 2022 2023\nCONECT 2023 2024 2025 2034\nCONECT 2025 2026 2027 2028\nCONECT 2028 2029 2030 2031\nCONECT 2031 2032 2033\nCONECT 2034 2035 2036\nCONECT 2036 2037 2038\nCONECT 2038 2039 2040 2044\nCONECT 2040 2041 2042 2043\nCONECT 2044 2045 2046\nCONECT 2046 2047 2048\nCONECT 2048 2049 2050 2054\nCONECT 2050 2051 2052 2053\nCONECT 2054 2055 2056\nCONECT 2056 2057 2058\nCONECT 2058 2059 2060 2070\nCONECT 2060 2061 2062 2066\nCONECT 2062 2063 2064 2065\nCONECT 2066 2067 2068 2069\nCONECT 2070 2071 2072\nCONECT 2072 2073 2074\nCONECT 2074 2075 2076 2084\nCONECT 2076 2077 2078 2079\nCONECT 2079 2080 2081\nCONECT 2081 2082 2083\nCONECT 2084 2085 2086\nCONECT 2086 2087 2088\nCONECT 2088 2089 2090 2103\nCONECT 2090 2091 2092 2093\nCONECT 2093 2094 2095 2099\nCONECT 2095 2096 2097 2098\nCONECT 2099 2100 2101 2102\nCONECT 2103 2104 2105\nCONECT 2105 2106 2107\nCONECT 2107 2108 2109 2113\nCONECT 2109 2110 2111 2112\nCONECT 2113 2114 2115\nCONECT 2115 2116 2117\nCONECT 2117 2118 2119 2135\nCONECT 2119 2120 2121 2122\nCONECT 2122 2123 2124 2125\nCONECT 2125 2126 2127 2128\nCONECT 2128 2129 2130 2131\nCONECT 2131 2132 2133 2134\nCONECT 2135 2136 2137\nCONECT 2137 2138 2139\nCONECT 2139 2140 2141 2146\nCONECT 2141 2142 2143 2144\nCONECT 2144 2145\nCONECT 2146 2147 2148\nCONECT 2148 2149 2150\nCONECT 2150 2151 2152 2170\nCONECT 2152 2153 2154 2155\nCONECT 2155 2156 2157 2158\nCONECT 2158 2159 2160 2161\nCONECT 2161 2162 2163\nCONECT 2163 2164 2167\nCONECT 2164 2165 2166\nCONECT 2167 2168 2169\nCONECT 2170 2171 2172\nCONECT 2172 2173 2174\nCONECT 2174 2175 2176 2194\nCONECT 2176 2177 2178 2179\nCONECT 2179 2180 2193\nCONECT 2180 2181 2182\nCONECT 2182 2183 2184\nCONECT 2184 2185 2193\nCONECT 2185 2186 2187\nCONECT 2187 2188 2189\nCONECT 2189 2190 2191\nCONECT 2191 2192 2193\nCONECT 2194 2195 2196\nCONECT 2196 2197 2198\nCONECT 2198 2199 2200 2215\nCONECT 2200 2201 2202 2203\nCONECT 2203 2204 2213\nCONECT 2204 2205 2206\nCONECT 2206 2207 2208\nCONECT 2208 2209 2211\nCONECT 2209 2210\nCONECT 2211 2212 2213\nCONECT 2213 2214\nCONECT 2215 2216 2217\nCONECT 2217 2218 2219\nCONECT 2219 2220 2221 2229\nCONECT 2221 2222 2223 2224\nCONECT 2224 2225 2226\nCONECT 2226 2227 2228\nCONECT 2229 2230 2231\nCONECT 2231 2232 2233\nCONECT 2233 2234 2235 2246\nCONECT 2235 2236 2237 2238\nCONECT 2238 2239 2240 2241\nCONECT 2241 2242 2243\nCONECT 2243 2244 2245\nCONECT 2246 2247 2248\nCONECT 2248 2249 2250\nCONECT 2250 2251 2252 2260\nCONECT 2252 2253 2254 2258\nCONECT 2254 2255 2256 2257\nCONECT 2258 2259\nCONECT 2260 2261 2262\nCONECT 2262 2263 2272\nCONECT 2263 2264 2265 2266\nCONECT 2266 2267 2268 2269\nCONECT 2269 2270 2271 2272\nCONECT 2272 2273 2274\nCONECT 2274 2275 2276\nCONECT 2276 2277 2278\nCONECT 2278 2279 2280 2288\nCONECT 2280 2281 2282 2283\nCONECT 2283 2284 2285\nCONECT 2285 2286 2287\nCONECT 2288 2289 2290\nCONECT 2290 2291 2292\nCONECT 2292 2293 2294 2312\nCONECT 2294 2295 2296 2297\nCONECT 2297 2298 2299 2300\nCONECT 2300 2301 2302 2303\nCONECT 2303 2304 2305\nCONECT 2305 2306 2309\nCONECT 2306 2307 2308\nCONECT 2309 2310 2311\nCONECT 2312 2313 2314\nCONECT 2314 2315 2316\nCONECT 2316 2317 2318 2322\nCONECT 2318 2319 2320 2321\nCONECT 2322 2323 2324\nCONECT 2324 2325 2326\nCONECT 2326 2327 2328 2344\nCONECT 2328 2329 2330 2331\nCONECT 2331 2332 2333 2334\nCONECT 2334 2335 2336 2337\nCONECT 2337 2338 2339 2340\nCONECT 2340 2341 2342 2343\nCONECT 2344 2345 2346\nCONECT 2346 2347 2348\nCONECT 2348 2349 2350 2368\nCONECT 2350 2351 2352 2353\nCONECT 2353 2354 2355 2356\nCONECT 2356 2357 2358 2359\nCONECT 2359 2360 2361\nCONECT 2361 2362 2365\nCONECT 2362 2363 2364\nCONECT 2365 2366 2367\nCONECT 2368 2369 2370\nCONECT 2370 2371 2372\nCONECT 2372 2373 2374 2384\nCONECT 2374 2375 2376 2380\nCONECT 2376 2377 2378 2379\nCONECT 2380 2381 2382 2383\nCONECT 2384 2385 2386\nCONECT 2386 2387 2388\nCONECT 2388 2389 2390 2403\nCONECT 2390 2391 2392 2396\nCONECT 2392 2393 2394 2395\nCONECT 2396 2397 2398 2399\nCONECT 2399 2400 2401 2402\nCONECT 2403 2404 2405\nCONECT 2405 2406 2407\nCONECT 2407 2408 2409 2417\nCONECT 2409 2410 2411 2415\nCONECT 2411 2412 2413 2414\nCONECT 2415 2416\nCONECT 2417 2418 2419\nCONECT 2419 2420 2421\nCONECT 2421 2422 2423 2431\nCONECT 2423 2424 2425 2429\nCONECT 2425 2426 2427 2428\nCONECT 2429 2430\nCONECT 2431 2432 2433\nCONECT 2433 2434 2435\nCONECT 2435 2436 2437 2451\nCONECT 2437 2438 2439 2440\nCONECT 2440 2441 2449\nCONECT 2441 2442 2443\nCONECT 2443 2444 2445\nCONECT 2445 2446 2447\nCONECT 2447 2448 2449\nCONECT 2449 2450\nCONECT 2451 2452 2453\nCONECT 2453 2454 2455\nCONECT 2455 2456 2457 2475\nCONECT 2457 2458 2459 2460\nCONECT 2460 2461 2462 2463\nCONECT 2463 2464 2465 2466\nCONECT 2466 2467 2468\nCONECT 2468 2469 2472\nCONECT 2469 2470 2471\nCONECT 2472 2473 2474\nCONECT 2475 2476 2477\nCONECT 2477 2478 2479\nCONECT 2479 2480 2481 2489\nCONECT 2481 2482 2483 2487\nCONECT 2483 2484 2485 2486\nCONECT 2487 2488\nCONECT 2489 2490 2491\nCONECT 2491 2492 2493\nCONECT 2493 2494 2495 2496\nCONECT 2496 2497 2498\nCONECT 2498 2499 2500\nCONECT 2500 2501 2502 2510\nCONECT 2502 2503 2504 2508\nCONECT 2504 2505 2506 2507\nCONECT 2508 2509\nCONECT 2510 2511 2512\nCONECT 2512 2513 2514\nCONECT 2514 2515 2516 2534\nCONECT 2516 2517 2518 2519\nCONECT 2519 2520 2533\nCONECT 2520 2521 2522\nCONECT 2522 2523 2524\nCONECT 2524 2525 2533\nCONECT 2525 2526 2527\nCONECT 2527 2528 2529\nCONECT 2529 2530 2531\nCONECT 2531 2532 2533\nCONECT 2534 2535 2536\nCONECT 2536 2537 2538\nCONECT 2538 2539 2540 2546\nCONECT 2540 2541 2542 2543\nCONECT 2543 2544 2545\nCONECT 2546 2547 2548\nCONECT 2548 2549 2550\nCONECT 2550 2551 2552 2556\nCONECT 2552 2553 2554 2555\nCONECT 2556 2557 2558\nCONECT 2558 2559 2560\nCONECT 2560 2561 2562 2577\nCONECT 2562 2563 2564 2565\nCONECT 2565 2566 2575\nCONECT 2566 2567 2568\nCONECT 2568 2569 2570\nCONECT 2570 2571 2573\nCONECT 2571 2572\nCONECT 2573 2574 2575\nCONECT 2575 2576\nCONECT 2577 2578 2579\nCONECT 2579 2580 2581\nCONECT 2581 2582 2583 2599\nCONECT 2583 2584 2585 2586\nCONECT 2586 2587 2588 2589\nCONECT 2589 2590 2591 2592\nCONECT 2592 2593 2594 2595\nCONECT 2595 2596 2597 2598\nCONECT 2599 2600 2601\nCONECT 2601 2602 2603\nCONECT 2603 2604 2605 2613\nCONECT 2605 2606 2607 2608\nCONECT 2608 2609 2610\nCONECT 2610 2611 2612\nCONECT 2613 2614 2615\nCONECT 2615 2616 2617\nCONECT 2617 2618 2619 2632\nCONECT 2619 2620 2621 2622\nCONECT 2622 2623 2624 2628\nCONECT 2624 2625 2626 2627\nCONECT 2628 2629 2630 2631\nCONECT 2632 2633 2634\n", 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false, "disableImpostor": false, "disablePicking": false, "flatShaded": false, "interiorColor": 2236962, "interiorDarkening": 0, "lazy": false, "lineOnly": false, "linewidth": 2, "matrix": { "elements": [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ] }, "metalness": 0, "opacity": 1, "openEnded": true, "quality": "high", "radialSegments": 20, "radiusData": {}, "radiusScale": 1, "radiusSize": 0.3, "radiusType": "size", "roughness": 0.4, "sele": "", "side": "double", "sphereDetail": 2, "useInteriorColor": true, "visible": true, "wireframe": false }, "type": "base" }, "2": { "params": { "aspectRatio": 1.5, "assembly": "default", "bondScale": 0.3, "bondSpacing": 0.75, "clipCenter": { "x": 0, "y": 0, "z": 0 }, "clipNear": 0, "clipRadius": 0, "colorMode": "hcl", "colorReverse": false, "colorScale": "", "colorScheme": "element", "colorValue": 9474192, "cylinderOnly": false, "defaultAssembly": "", "depthWrite": true, "diffuse": 16777215, "diffuseInterior": false, "disableImpostor": false, 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1, "picked": {} } } }, "version_major": 2, "version_minor": 0 } } }, "nbformat": 4, "nbformat_minor": 5 }