diff --git a/pyproject.toml b/pyproject.toml index 3445131..829a38c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -11,10 +11,11 @@ dependencies = [ "e3nn", "esm", "biotite", - "pymol-open-source", + "pymol-open-source-whl>=3.1.0.4", "scipy", "pandas", "numpy", + "rdkit", "matplotlib", "pillow", "loguru", diff --git a/src/dataset.py b/src/dataset.py index 742b135..ea5d8d2 100644 --- a/src/dataset.py +++ b/src/dataset.py @@ -47,16 +47,17 @@ def element_onehot(symbols: list[str]) -> Tensor: def parse_asu_with_biotite( path: str, -) -> tuple[bts.AtomArray, bts.AtomArray]: +) -> tuple[bts.AtomArray, bts.AtomArray, bts.AtomArray]: """ - Parse PDB file and extract protein and water atoms. + Parse PDB file and extract protein, water, and ligand atoms. Args: path: Path to PDB file Returns: - Tuple of (protein_atoms, water_atoms) as biotite AtomArrays. - Hydrogen atoms are excluded. + Tuple of (protein_atoms, water_atoms, ligand_atoms) as biotite AtomArrays. + Hydrogen atoms are excluded. ligand_atoms contains all non-protein, non-water + HETATM records (small molecules, ions, cofactors). Notes: - model=1: Uses first model in PDB (standard for X-ray structures) @@ -71,11 +72,13 @@ def parse_asu_with_biotite( protein_mask = bts.filter_amino_acids(atoms) water_mask = (atoms.res_name == "HOH") | (atoms.res_name == "WAT") + ligand_mask = ~protein_mask & ~water_mask protein_atoms = atoms[protein_mask] water_atoms = atoms[water_mask] + ligand_atoms = atoms[ligand_mask] - return protein_atoms, water_atoms + return protein_atoms, water_atoms, ligand_atoms def get_crystal_contacts_pymol( @@ -665,6 +668,7 @@ def __init__( base_pdb_dir: str = "/sb/wankowicz_lab/data/srivasv/pdb_redo_data", cutoff: float = 8.0, include_mates: bool = True, + include_ligands: bool = False, geometry_cache_name: str = "geometry", preprocess: bool = True, duplicate_single_sample: int = 1, @@ -691,8 +695,12 @@ def __init__( base_pdb_dir: Base directory containing PDB subdirectories cutoff: Distance cutoff for PP edges and crystal contacts (Angstroms) include_mates: If True, include symmetry mate atoms as protein nodes + include_ligands: If True, include non-water het atoms (ligands, ions, + cofactors) as protein nodes. They are appended after + protein (and mate) atoms with a boolean is_ligand mask. geometry_cache_name: Base name for geometry cache directory. When include_mates=True, "_mates" is appended automatically. + When include_ligands=True, "_lig" is appended. Default is "geometry", resulting in "geometry/" or "geometry_mates/" subdirectories. preprocess: If True, run preprocessing on missing cached files @@ -720,8 +728,10 @@ def __init__( """ self.cache_dir = Path(processed_dir) - # Directory-based separation: geometry/ vs geometry_mates/ + # Directory-based separation: geometry/ vs geometry_mates/ vs geometry_lig/ etc. cache_suffix = "_mates" if include_mates else "" + if include_ligands: + cache_suffix += "_lig" self.geometry_dir = self.cache_dir / f"{geometry_cache_name}{cache_suffix}" self.base_pdb_dir = Path(base_pdb_dir) self.cutoff = cutoff @@ -731,6 +741,7 @@ def __init__( else: self.embedding_dir = None self.include_mates = include_mates + self.include_ligands = include_ligands self.duplicate_single_sample = duplicate_single_sample self.max_com_dist = max_com_dist @@ -867,7 +878,7 @@ def _preprocess_one(self, entry: dict, cache_path: Path): """ pdb_path = str(entry["pdb_path"]) - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_path) + protein_atoms, water_atoms, ligand_atoms = parse_asu_with_biotite(pdb_path) # check inter-chain interactions for multi-chain proteins chain_valid, chain_reason, _ = check_chain_interactions( @@ -1046,6 +1057,26 @@ def _preprocess_one(self, entry: dict, cache_path: Path): final_protein_x = protein_x final_protein_res_idx = protein_res_idx + # Append ligand atoms after protein (and mate) atoms when enabled. + # is_ligand mask marks which protein-type nodes are ligand atoms. + # Ligands always go last so num_asu_protein and mate counts are unaffected, + # preserving ESM/SLAE embedding alignment via _pad_atom_embeddings_for_mates. + if self.include_ligands and ligand_atoms: + ligand_pos = torch.tensor(ligand_atoms.coord, dtype=torch.float32) - center + ligand_elements = [str(e).upper() for e in ligand_atoms.element] + ligand_x = element_onehot(ligand_elements) + final_protein_pos = torch.cat([final_protein_pos, ligand_pos], dim=0) + final_protein_x = torch.cat([final_protein_x, ligand_x], dim=0) + # Ligand atoms get residue_index = -1 (sentinel; no residue embedding) + ligand_res_idx = torch.full((len(ligand_atoms),), -1, dtype=torch.long) + final_protein_res_idx = torch.cat( + [final_protein_res_idx, ligand_res_idx], dim=0 + ) + is_ligand = torch.zeros(final_protein_pos.size(0), dtype=torch.bool) + is_ligand[-len(ligand_atoms) :] = True + else: + is_ligand = torch.zeros(final_protein_pos.size(0), dtype=torch.bool) + # Compute PP edges and features if final_protein_pos.size(0) > 0: pp_edge_index = radius_graph(final_protein_pos, r=self.cutoff, loop=False) @@ -1071,6 +1102,7 @@ def _preprocess_one(self, entry: dict, cache_path: Path): "protein_pos": final_protein_pos, "protein_x": final_protein_x, "protein_res_idx": final_protein_res_idx, + "is_ligand": is_ligand, "water_pos": water_pos, "water_x": water_x, # PP topology and features (precomputed) @@ -1164,6 +1196,10 @@ def __getitem__(self, idx: int) -> HeteroData: protein_pos = cached["protein_pos"] protein_x = cached["protein_x"] protein_res_idx = cached["protein_res_idx"] + # is_ligand may be absent in older caches (backward compat: all False) + is_ligand = cached.get( + "is_ligand", torch.zeros(protein_pos.size(0), dtype=torch.bool) + ) pp_edge_index = cached["pp_edge_index"] pp_edge_unit_vectors = cached["pp_edge_unit_vectors"] pp_edge_rbf = cached["pp_edge_rbf"] @@ -1185,6 +1221,7 @@ def __getitem__(self, idx: int) -> HeteroData: data["protein"].x = protein_x data["protein"].pos = protein_pos data["protein"].residue_index = protein_res_idx + data["protein"].is_ligand = is_ligand data["protein"].num_nodes = protein_pos.size(0) data["protein"].num_residues = num_residues data["protein"].num_protein_residues = num_protein_residues diff --git a/src/encoder_base.py b/src/encoder_base.py index ebe39b0..34d81b2 100644 --- a/src/encoder_base.py +++ b/src/encoder_base.py @@ -15,6 +15,8 @@ import torch import torch.nn as nn +from src.constants import NODE_FEATURE_DIM + if TYPE_CHECKING: from torch_geometric.data import HeteroData @@ -177,6 +179,15 @@ def __init__( self._embedding_dim: int | None = embedding_dim self._embedding_key = embedding_key self._encoder_type = encoder_type + # Learnable projection for ligand atoms (element one-hot -> embedding space). + # Ligands have no ESM/SLAE embeddings; this replaces zero-padding with a + # learned representation parameterized only by element type. + # Lazily initialized on first forward when embedding_dim becomes known. + self.ligand_embed: nn.Linear | None = ( + nn.Linear(NODE_FEATURE_DIM, embedding_dim, bias=False) + if embedding_dim is not None + else None + ) @property def output_dims(self) -> tuple[int, int]: @@ -203,13 +214,15 @@ def forward( """ Read cached embeddings and return (s, V, None). - On first call, infers embedding dimension from the data. + On first call, infers embedding dimension from the data. If ligand atoms + are present (data['protein'].is_ligand), their zero-padded embedding rows + are replaced with a learned projection from element one-hot features. Args: data: HeteroData with cached embeddings in data['protein'] Returns: - s: (N, embedding_dim) — raw embeddings + s: (N, embedding_dim) — embeddings (ligand rows via learned projection) V: (N, 0, 3) — empty vector features pp_edge_attr: None — cached embedding encoders don't process edges """ @@ -221,9 +234,20 @@ def forward( embeddings = data["protein"][self._embedding_key] - # Infer dimension on first forward + # Infer dimension on first forward and lazily init ligand head if self._embedding_dim is None: self._embedding_dim = embeddings.size(-1) + self.ligand_embed = nn.Linear( + NODE_FEATURE_DIM, self._embedding_dim, bias=False + ).to(embeddings.device) + + # Replace zero-padded ligand rows with learned element projection + lig_mask = getattr(data["protein"], "is_ligand", None) + if lig_mask is not None and lig_mask.any(): + embeddings = embeddings.clone() + embeddings[lig_mask] = self.ligand_embed( + data["protein"].x[lig_mask].to(embeddings.device) + ) V = embeddings.new_empty(embeddings.size(0), 0, 3) return embeddings, V, None diff --git a/tests/conftest.py b/tests/conftest.py index 449b9c6..093da5c 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -67,6 +67,12 @@ def pdb_1deu(): return _resolve_pdb_path("1deu") +@pytest.fixture +def pdb_4h0b(): + """4h0b - has non-water ligand HETATMs for ligand support tests.""" + return _resolve_pdb_path("4h0b") + + # ============== Shared encoder fixtures ============== diff --git a/tests/test_dataset.py b/tests/test_dataset.py index da44844..d7e7327 100644 --- a/tests/test_dataset.py +++ b/tests/test_dataset.py @@ -480,32 +480,223 @@ class TestParseAsuWithBiotite: """Tests for PDB parsing with biotite.""" def test_parse_returns_protein_and_water(self, pdb_6eey): - """Should return protein and water atom arrays.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_6eey) + """Should return protein, water, and ligand atom arrays.""" + protein_atoms, water_atoms, ligand_atoms = parse_asu_with_biotite(pdb_6eey) assert protein_atoms is not None assert water_atoms is not None + assert ligand_atoms is not None assert len(protein_atoms) > 0 def test_hydrogen_removed(self, pdb_6eey): - """Hydrogens should be removed from output.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_6eey) + """Hydrogens should be removed from all returned arrays.""" + protein_atoms, water_atoms, ligand_atoms = parse_asu_with_biotite(pdb_6eey) protein_elements = set(protein_atoms.element) water_elements = set(water_atoms.element) if len(water_atoms) > 0 else set() + ligand_elements = set(ligand_atoms.element) if len(ligand_atoms) > 0 else set() assert "H" not in protein_elements assert "H" not in water_elements + assert "H" not in ligand_elements def test_water_residue_names(self, pdb_6eey): """Water atoms should have HOH or WAT residue names.""" - _, water_atoms = parse_asu_with_biotite(pdb_6eey) + _protein, water_atoms, _ligands = parse_asu_with_biotite(pdb_6eey) if len(water_atoms) > 0: water_res_names = set(water_atoms.res_name) assert water_res_names.issubset({"HOH", "WAT"}) +@pytest.mark.integration +class TestLigandParsing: + """Tests for ligand (non-water HETATM) parsing via parse_asu_with_biotite.""" + + def test_returns_three_arrays(self, pdb_4h0b): + """parse_asu_with_biotite should return (protein, water, ligand) 3-tuple.""" + result = parse_asu_with_biotite(pdb_4h0b) + assert len(result) == 3 + protein_atoms, water_atoms, ligand_atoms = result + assert protein_atoms is not None + assert water_atoms is not None + assert ligand_atoms is not None + + def test_4h0b_has_ligands(self, pdb_4h0b): + """4h0b contains non-water HETATMs and should yield non-empty ligand array.""" + _protein, _water, ligand_atoms = parse_asu_with_biotite(pdb_4h0b) + assert len(ligand_atoms) > 0, "4h0b should have non-water HETATM ligand atoms" + + def test_ligand_not_water(self, pdb_4h0b): + """Ligand atoms must not be water (HOH/WAT).""" + _protein, _water, ligand_atoms = parse_asu_with_biotite(pdb_4h0b) + if len(ligand_atoms) > 0: + ligand_res_names = set(ligand_atoms.res_name) + assert "HOH" not in ligand_res_names + assert "WAT" not in ligand_res_names + + def test_ligand_no_hydrogen(self, pdb_4h0b): + """Ligand atoms must not include hydrogen.""" + _protein, _water, ligand_atoms = parse_asu_with_biotite(pdb_4h0b) + if len(ligand_atoms) > 0: + assert "H" not in set(ligand_atoms.element) + + def test_partition_is_exhaustive(self, pdb_4h0b): + """protein + water + ligand should account for all non-H atoms.""" + from biotite.structure.io.pdb import get_structure, PDBFile + + pdb_file = PDBFile.read(pdb_4h0b) + all_atoms = get_structure(pdb_file, model=1, altloc="occupancy") + all_atoms = all_atoms[all_atoms.element != "H"] + total = len(all_atoms) + + protein_atoms, water_atoms, ligand_atoms = parse_asu_with_biotite(pdb_4h0b) + assert len(protein_atoms) + len(water_atoms) + len(ligand_atoms) == total + + def test_ligand_element_onehot(self, pdb_4h0b): + """element_onehot should run without error on ligand elements.""" + _protein, _water, ligand_atoms = parse_asu_with_biotite(pdb_4h0b) + if len(ligand_atoms) > 0: + elements = [str(e).upper() for e in ligand_atoms.element] + feat = element_onehot(elements) + assert feat.shape == (len(ligand_atoms), len(ELEMENT_VOCAB) + 1) + assert feat.sum(dim=1).allclose(torch.ones(len(ligand_atoms))) + + +@pytest.mark.integration +class TestLigandNodeIntegration: + """Tests for ligand atoms folded into protein nodes (include_ligands=True).""" + + def test_include_ligands_flag_off_by_default(self, pdb_4h0b, tmp_path): + """include_ligands defaults to False; ligand atoms must not appear in protein nodes.""" + list_file = tmp_path / "list.txt" + list_file.write_text("4h0b_final\n") + from pathlib import Path + + ds = ProteinWaterDataset( + pdb_list_file=str(list_file), + processed_dir=str(tmp_path / "processed"), + base_pdb_dir=str(Path(pdb_4h0b).parent.parent), + encoder_type="gvp", + include_mates=False, + include_ligands=False, + preprocess=True, + filter_by_distance=False, + filter_by_edia=False, + filter_by_bfactor=False, + ) + data = ds[0] + assert not data["protein"].is_ligand.any(), ( + "No ligand atoms expected when include_ligands=False" + ) + + def test_include_ligands_adds_nodes(self, pdb_4h0b, tmp_path): + """include_ligands=True should add ligand atoms to protein nodes.""" + list_file = tmp_path / "list.txt" + list_file.write_text("4h0b_final\n") + from pathlib import Path + + base_dir = str(Path(pdb_4h0b).parent.parent) + + ds_no_lig = ProteinWaterDataset( + pdb_list_file=str(list_file), + processed_dir=str(tmp_path / "processed_no_lig"), + base_pdb_dir=base_dir, + encoder_type="gvp", + include_mates=False, + include_ligands=False, + preprocess=True, + filter_by_distance=False, + filter_by_edia=False, + filter_by_bfactor=False, + ) + ds_lig = ProteinWaterDataset( + pdb_list_file=str(list_file), + processed_dir=str(tmp_path / "processed_lig"), + base_pdb_dir=base_dir, + encoder_type="gvp", + include_mates=False, + include_ligands=True, + preprocess=True, + filter_by_distance=False, + filter_by_edia=False, + filter_by_bfactor=False, + ) + + data_no_lig = ds_no_lig[0] + data_lig = ds_lig[0] + + assert data_lig["protein"].num_nodes > data_no_lig["protein"].num_nodes + assert data_lig["protein"].is_ligand.any() + assert not data_no_lig["protein"].is_ligand.any() + + def test_is_ligand_mask_shape(self, pdb_4h0b, tmp_path): + """is_ligand mask must have same length as protein node count.""" + list_file = tmp_path / "list.txt" + list_file.write_text("4h0b_final\n") + from pathlib import Path + + ds = ProteinWaterDataset( + pdb_list_file=str(list_file), + processed_dir=str(tmp_path / "processed"), + base_pdb_dir=str(Path(pdb_4h0b).parent.parent), + encoder_type="gvp", + include_mates=False, + include_ligands=True, + preprocess=True, + filter_by_distance=False, + filter_by_edia=False, + filter_by_bfactor=False, + ) + data = ds[0] + assert data["protein"].is_ligand.shape == (data["protein"].num_nodes,) + assert data["protein"].is_ligand.dtype == torch.bool + + def test_protein_x_dim_unchanged(self, pdb_4h0b, tmp_path): + """protein.x should still be 16-dim one-hot for both protein and ligand atoms.""" + list_file = tmp_path / "list.txt" + list_file.write_text("4h0b_final\n") + from pathlib import Path + + ds = ProteinWaterDataset( + pdb_list_file=str(list_file), + processed_dir=str(tmp_path / "processed"), + base_pdb_dir=str(Path(pdb_4h0b).parent.parent), + encoder_type="gvp", + include_mates=False, + include_ligands=True, + preprocess=True, + filter_by_distance=False, + filter_by_edia=False, + filter_by_bfactor=False, + ) + data = ds[0] + assert data["protein"].x.shape[1] == len(ELEMENT_VOCAB) + 1 + + def test_ligand_residue_index_is_sentinel(self, pdb_4h0b, tmp_path): + """Ligand atoms should have residue_index == -1.""" + list_file = tmp_path / "list.txt" + list_file.write_text("4h0b_final\n") + from pathlib import Path + + ds = ProteinWaterDataset( + pdb_list_file=str(list_file), + processed_dir=str(tmp_path / "processed"), + base_pdb_dir=str(Path(pdb_4h0b).parent.parent), + encoder_type="gvp", + include_mates=False, + include_ligands=True, + preprocess=True, + filter_by_distance=False, + filter_by_edia=False, + filter_by_bfactor=False, + ) + data = ds[0] + lig_mask = data["protein"].is_ligand + assert (data["protein"].residue_index[lig_mask] == -1).all() + assert (data["protein"].residue_index[~lig_mask] >= 0).all() + + @pytest.mark.integration class TestGetCrystalContactsPymol: """Tests for PyMOL crystal contact detection.""" @@ -682,7 +873,7 @@ class TestQualityFiltersWithRealPDBs: def test_6eey_passes_com_check(self, pdb_6eey): """6eey should pass COM distance check.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_6eey) + protein_atoms, water_atoms, _ligands = parse_asu_with_biotite(pdb_6eey) protein_pos = torch.tensor(protein_atoms.coord, dtype=torch.float32) water_pos = torch.tensor(water_atoms.coord, dtype=torch.float32) @@ -693,7 +884,7 @@ def test_6eey_passes_com_check(self, pdb_6eey): def test_6eey_passes_clash_check(self, pdb_6eey): """6eey should pass water clash check.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_6eey) + protein_atoms, water_atoms, _ligands = parse_asu_with_biotite(pdb_6eey) protein_pos = torch.tensor(protein_atoms.coord, dtype=torch.float32) water_pos = torch.tensor(water_atoms.coord, dtype=torch.float32) @@ -706,7 +897,7 @@ def test_6eey_passes_clash_check(self, pdb_6eey): def test_2b5w_fails_com_check(self, pdb_2b5w): """2b5w should fail COM distance check.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_2b5w) + protein_atoms, water_atoms, _ligands = parse_asu_with_biotite(pdb_2b5w) protein_pos = torch.tensor(protein_atoms.coord, dtype=torch.float32) water_pos = torch.tensor(water_atoms.coord, dtype=torch.float32) @@ -718,7 +909,7 @@ def test_2b5w_fails_com_check(self, pdb_2b5w): def test_8dzt_fails_clash_check_at_2_percent(self, pdb_8dzt): """8dzt should fail water clash check at 2% threshold with 2A distance.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_8dzt) + protein_atoms, water_atoms, _ligands = parse_asu_with_biotite(pdb_8dzt) protein_pos = torch.tensor(protein_atoms.coord, dtype=torch.float32) water_pos = torch.tensor(water_atoms.coord, dtype=torch.float32) @@ -732,7 +923,7 @@ def test_8dzt_fails_clash_check_at_2_percent(self, pdb_8dzt): def test_8dzt_passes_clash_check_at_5_percent(self, pdb_8dzt): """8dzt should pass water clash check at 5% threshold (default).""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_8dzt) + protein_atoms, water_atoms, _ligands = parse_asu_with_biotite(pdb_8dzt) protein_pos = torch.tensor(protein_atoms.coord, dtype=torch.float32) water_pos = torch.tensor(water_atoms.coord, dtype=torch.float32) @@ -1323,7 +1514,7 @@ def test_bfactor_extraction_from_real_pdb(self, pdb_6eey): def test_filtering_with_real_pdb(self, pdb_6eey): """Should filter waters from real PDB file.""" - protein_atoms, water_atoms = parse_asu_with_biotite(pdb_6eey) + protein_atoms, water_atoms, _ligands = parse_asu_with_biotite(pdb_6eey) if len(water_atoms) == 0: pytest.skip("No water molecules in 6eey") diff --git a/tests/test_files/4h0b/4h0b_final.pdb b/tests/test_files/4h0b/4h0b_final.pdb new file mode 100644 index 0000000..b9ad3e0 --- /dev/null +++ b/tests/test_files/4h0b/4h0b_final.pdb @@ -0,0 +1,3252 @@ +HEADER 4H0B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: ; +COMPND 3 CHAIN: A +SOURCE MOL_ID: 1 +EXPDTA X-RAY DIFFRACTION +REMARK 2 +REMARK 2 RESOLUTION. 1.26 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.26 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.04 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.85 +REMARK 3 NUMBER OF REFLECTIONS : 54283 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.11982 +REMARK 3 R VALUE (WORKING SET) : 0.11879 +REMARK 3 FREE R VALUE : 0.13926 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.1 +REMARK 3 FREE R VALUE TEST SET COUNT : 2902 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.260 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.293 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 4018 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.72 +REMARK 3 BIN R VALUE (WORKING SET) : 0.095 +REMARK 3 BIN FREE R VALUE SET COUNT : 208 +REMARK 3 BIN FREE R VALUE : 0.135 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : NULL +REMARK 3 NUCLEIC ACID ATOMS : NULL +REMARK 3 HETEROGEN ATOMS : NULL +REMARK 3 SOLVENT ATOMS : NULL +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 B VALUE TYPE : NULL +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.236 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.01 +REMARK 3 B22 (A**2) : 0.01 +REMARK 3 B33 (A**2) : -0.03 +REMARK 3 B12 (A**2) : 0.00 +REMARK 3 B13 (A**2) : -0.00 +REMARK 3 B23 (A**2) : 0.00 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.030 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.030 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.014 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.685 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.973 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.969 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1332 ; 0.025 ; 0.017 +REMARK 3 BOND LENGTHS OTHERS (A): 1273 ; 0.001 ; 0.016 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1800 ; 1.501 ; 1.869 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 2940 ; 0.643 ; 1.601 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 157 ; 5.115 ; 5.127 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 241 ;12.252 ;10.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 190 ; 0.080 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1465 ; 0.010 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 279 ; 0.008 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 615 ;10.991 ; 0.827 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 614 ;10.949 ; 0.825 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 767 ;14.739 ; 1.470 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 768 ;14.733 ; 1.471 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 717 ;27.825 ; 1.289 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 718 ;27.806 ; 1.290 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1034 ;27.410 ; 2.165 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1690 ;28.959 ;11.360 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1621 ;28.496 ;10.250 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 2605 ; 5.665 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TWIN DETAILS +REMARK 3 NUMBER OF TWIN DOMAINS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.30 +REMARK 3 ION PROBE RADIUS : 1.20 +REMARK 3 SHRINKAGE RADIUS : 1.20 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT +REMARK 3 U VALUES : REFINED INDIVIDUALLY +SEQRES 1 A 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS +SEQRES 2 A 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY +SEQRES 3 A 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU +SEQRES 4 A 154 THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR +SEQRES 5 A 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS +SEQRES 6 A 154 THR VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS +SEQRES 7 A 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA +SEQRES 8 A 154 GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR +SEQRES 9 A 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS +SEQRES 10 A 154 SER ARG HIS PRO GLY ASP PHE GLY ALA ASP ALA GLN GLY +SEQRES 11 A 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE +SEQRES 12 A 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY +HET HEM A 201 43 +HET OXY A 202 2 +HET DMS A 203 4 +HET SO4 A 204 5 +HET SO4 A 205 5 +HET SO4 A 206 5 +HET SO4 A 207 5 +HET EDO A 208 4 +HETNAM DMS DIMETHYL SULFOXIDE +HETNAM EDO 1,2-ETHANEDIOL +HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE +HETNAM OXY OXYGEN MOLECULE +HETNAM SO4 SULFATE ION +FORMUL 2 HEM C34 H32 Fe N4 O4 +FORMUL 3 OXY O2 +FORMUL 4 DMS C2 H6 O S +FORMUL 5 SO4 4(O4 S) +FORMUL 9 EDO C2 H6 O2 +FORMUL 10 HOH *239(H2 O) +LINK FE HEM A 201 NE2 HIS A 93 1555 1555 2.69 +LINK FE HEM A 201 O1 OXY A 202 1555 1555 2.11 +CRYST1 90.499 90.499 45.319 90.00 90.00 120.00 P 6 0 +ATOM 1 N MET A 0 -19.053 -16.244 17.794 1.00131.39 N +ANISOU 1 N MET A 0 13359 10789 25776 -9575 5611 3710 N +ATOM 2 CA MET A 0 -20.438 -15.836 17.568 1.00131.32 C +ANISOU 2 CA MET A 0 20222 11002 18671 -6376 -1708 1118 C +ATOM 3 CB MET A 0 -20.668 -15.418 16.117 1.00110.87 C +ANISOU 3 CB MET A 0 10355 19053 12717 -10545 6018 -4819 C +ATOM 4 CG MET A 0 -20.174 -16.436 15.138 1.00170.83 C +ANISOU 4 CG MET A 0 39075 16375 9459 4876 -7488 -2089 C +ATOM 5 SD MET A 0 -20.388 -15.961 13.433 1.00 38.63 S +ANISOU 5 SD MET A 0 4156 5811 4712 -1484 -1093 -1523 S +ATOM 6 CE MET A 0 -22.448 -15.643 13.320 1.00 16.15 C +ANISOU 6 CE MET A 0 3721 1175 1240 -39 -826 -456 C +ATOM 7 C MET A 0 -21.389 -16.982 17.896 1.00 70.00 C +ANISOU 7 C MET A 0 4798 10539 11262 1919 986 -4938 C +ATOM 8 O MET A 0 -21.127 -18.140 17.586 1.00 38.93 O +ANISOU 8 O MET A 0 3218 8177 3395 855 168 -1498 O +ATOM 9 N VAL A 1 -22.516 -16.640 18.508 1.00 21.58 N +ANISOU 9 N VAL A 1 2368 2046 3785 -180 -1049 -253 N +ATOM 10 CA VAL A 1 -23.487 -17.630 18.955 1.00 14.83 C +ANISOU 10 CA VAL A 1 1814 2037 1784 114 -816 -484 C +ATOM 11 CB VAL A 1 -23.238 -17.979 20.424 1.00 17.39 C +ANISOU 11 CB VAL A 1 2340 2573 1696 250 -505 -219 C +ATOM 12 CG1 VAL A 1 -24.299 -18.887 20.988 1.00 19.85 C +ANISOU 12 CG1 VAL A 1 2526 2199 2817 -580 -1580 542 C +ATOM 13 CG2 VAL A 1 -21.870 -18.606 20.630 1.00 30.88 C +ANISOU 13 CG2 VAL A 1 2809 5779 3146 1196 -1633 -101 C +ATOM 14 C VAL A 1 -24.911 -17.111 18.754 1.00 11.84 C +ANISOU 14 C VAL A 1 1716 1249 1534 -16 -366 75 C +ATOM 15 O VAL A 1 -25.261 -16.022 19.191 1.00 16.17 O +ANISOU 15 O VAL A 1 2191 1406 2546 73 -781 -416 O +ATOM 16 N LEU A 2 -25.739 -17.875 18.053 1.00 9.24 N +ANISOU 16 N LEU A 2 1294 1275 942 149 -45 37 N +ATOM 17 CA LEU A 2 -27.117 -17.461 17.834 1.00 7.89 C +ANISOU 17 CA LEU A 2 1303 909 785 174 -86 -34 C +ATOM 18 CB LEU A 2 -27.757 -18.210 16.656 1.00 8.14 C +ANISOU 18 CB LEU A 2 1271 1038 783 82 -13 -23 C +ATOM 19 CG LEU A 2 -27.427 -17.694 15.259 1.00 8.34 C +ANISOU 19 CG LEU A 2 1592 816 760 257 -9 18 C +ATOM 20 CD1 LEU A 2 -26.011 -18.021 14.821 1.00 9.80 C +ANISOU 20 CD1 LEU A 2 1631 1133 961 130 153 37 C +ATOM 21 CD2 LEU A 2 -28.412 -18.239 14.250 1.00 9.02 C +ANISOU 21 CD2 LEU A 2 1700 996 731 335 -113 13 C +ATOM 22 C LEU A 2 -27.946 -17.734 19.082 1.00 8.56 C +ANISOU 22 C LEU A 2 1306 1187 759 210 -87 -110 C +ATOM 23 O LEU A 2 -27.713 -18.690 19.821 1.00 9.59 O +ANISOU 23 O LEU A 2 1559 1200 885 387 43 47 O +ATOM 24 N SER A 3 -28.919 -16.859 19.325 1.00 8.24 N +ANISOU 24 N SER A 3 1222 1114 796 152 -204 -82 N +ATOM 25 CA SER A 3 -29.912 -17.129 20.352 1.00 8.41 C +ANISOU 25 CA SER A 3 1272 1144 780 242 -93 -106 C +ATOM 26 CB SER A 3 -30.668 -15.876 20.708 1.00 8.99 C +ANISOU 26 CB SER A 3 1438 1188 790 306 -224 -278 C +ATOM 27 OG SER A 3 -31.477 -15.484 19.617 1.00 9.90 O +ANISOU 27 OG SER A 3 1528 1348 884 254 -359 -187 O +ATOM 28 C SER A 3 -30.904 -18.188 19.875 1.00 8.02 C +ANISOU 28 C SER A 3 1180 1200 667 213 -148 55 C +ATOM 29 O SER A 3 -31.043 -18.429 18.673 1.00 7.41 O +ANISOU 29 O SER A 3 1138 1002 675 313 -171 -48 O +ATOM 30 N GLU A 4 -31.632 -18.802 20.805 1.00 7.67 N +ANISOU 30 N GLU A 4 1202 1240 470 149 -153 -92 N +ATOM 31 CA GLU A 4 -32.700 -19.716 20.429 1.00 7.70 C +ANISOU 31 CA GLU A 4 1239 1120 566 153 -128 -88 C +ATOM 32 CB GLU A 4 -33.359 -20.287 21.678 1.00 9.22 C +ANISOU 32 CB GLU A 4 1317 1545 641 179 -92 48 C +ATOM 33 CG GLU A 4 -34.563 -21.143 21.416 1.00 9.51 C +ANISOU 33 CG GLU A 4 1300 1669 642 14 -180 267 C +ATOM 34 CD GLU A 4 -34.388 -22.450 20.677 1.00 10.75 C +ANISOU 34 CD GLU A 4 1416 1831 838 -221 15 97 C +ATOM 35 OE1 GLU A 4 -33.227 -22.858 20.452 1.00 11.49 O +ANISOU 35 OE1 GLU A 4 1587 1684 1096 -3 -148 60 O +ATOM 36 OE2 GLU A 4 -35.421 -23.089 20.344 1.00 12.48 O +ANISOU 36 OE2 GLU A 4 1588 1698 1456 -287 -263 262 O +ATOM 37 C GLU A 4 -33.730 -19.013 19.542 1.00 8.06 C +ANISOU 37 C GLU A 4 1181 1331 548 299 4 -51 C +ATOM 38 O GLU A 4 -34.237 -19.598 18.591 1.00 8.10 O +ANISOU 38 O GLU A 4 1170 1316 591 207 -88 12 O +ATOM 39 N GLY A 5 -34.082 -17.760 19.868 1.00 8.48 N +ANISOU 39 N GLY A 5 1184 1409 629 271 -157 -197 N +ATOM 40 CA GLY A 5 -35.020 -17.029 19.036 1.00 8.93 C +ANISOU 40 CA GLY A 5 1022 1470 899 438 -45 -201 C +ATOM 41 C GLY A 5 -34.545 -16.858 17.596 1.00 8.16 C +ANISOU 41 C GLY A 5 1195 1062 841 357 -147 -54 C +ATOM 42 O GLY A 5 -35.319 -16.984 16.643 1.00 8.41 O +ANISOU 42 O GLY A 5 1097 1286 814 289 -99 -84 O +ATOM 43 N GLU A 6 -33.246 -16.585 17.429 1.00 7.47 N +ANISOU 43 N GLU A 6 1220 941 676 238 -143 -119 N +ATOM 44 CA GLU A 6 -32.667 -16.503 16.101 1.00 6.97 C +ANISOU 44 CA GLU A 6 1130 821 696 120 -168 13 C +ATOM 45 CB GLU A 6 -31.243 -15.953 16.173 1.00 7.32 C +ANISOU 45 CB GLU A 6 1065 881 834 145 -257 -97 C +ATOM 46 CG GLU A 6 -31.175 -14.475 16.524 1.00 8.69 C +ANISOU 46 CG GLU A 6 1414 856 1029 1 -241 -19 C +ATOM 47 CD GLU A 6 -29.807 -13.954 16.896 1.00 9.35 C +ANISOU 47 CD GLU A 6 1478 1085 988 -105 -228 -96 C +ATOM 48 OE1 GLU A 6 -28.957 -14.732 17.364 1.00 10.21 O +ANISOU 48 OE1 GLU A 6 1429 1257 1194 36 -304 -32 O +ATOM 49 OE2 GLU A 6 -29.610 -12.731 16.776 1.00 14.32 O +ANISOU 49 OE2 GLU A 6 1930 1062 2449 -193 -916 -41 O +ATOM 50 C GLU A 6 -32.725 -17.863 15.406 1.00 6.11 C +ANISOU 50 C GLU A 6 878 854 590 171 -86 -2 C +ATOM 51 O GLU A 6 -33.118 -17.952 14.241 1.00 6.26 O +ANISOU 51 O GLU A 6 881 923 575 167 -76 -12 O +ATOM 52 N TRP A 7 -32.364 -18.939 16.104 1.00 6.56 N +ANISOU 52 N TRP A 7 1077 863 550 261 -162 -87 N +ATOM 53 CA TRP A 7 -32.492 -20.257 15.504 1.00 6.26 C +ANISOU 53 CA TRP A 7 972 844 561 215 3 -38 C +ATOM 54 CB TRP A 7 -31.988 -21.379 16.426 1.00 6.46 C +ANISOU 54 CB TRP A 7 1025 835 596 203 -4 -20 C +ATOM 55 CG TRP A 7 -30.504 -21.450 16.511 1.00 6.49 C +ANISOU 55 CG TRP A 7 996 870 601 271 -94 -18 C +ATOM 56 CD1 TRP A 7 -29.737 -21.304 17.630 1.00 6.53 C +ANISOU 56 CD1 TRP A 7 1018 882 583 191 -137 74 C +ATOM 57 NE1 TRP A 7 -28.408 -21.417 17.315 1.00 6.94 N +ANISOU 57 NE1 TRP A 7 976 984 678 184 -191 -3 N +ATOM 58 CE2 TRP A 7 -28.290 -21.676 15.977 1.00 7.04 C +ANISOU 58 CE2 TRP A 7 1162 835 679 386 -103 10 C +ATOM 59 CZ2 TRP A 7 -27.147 -21.854 15.182 1.00 7.23 C +ANISOU 59 CZ2 TRP A 7 1038 918 790 284 -100 147 C +ATOM 60 CH2 TRP A 7 -27.346 -22.111 13.842 1.00 7.64 C +ANISOU 60 CH2 TRP A 7 1266 871 766 222 -50 132 C +ATOM 61 CZ3 TRP A 7 -28.626 -22.189 13.302 1.00 6.66 C +ANISOU 61 CZ3 TRP A 7 1372 751 408 331 -60 -21 C +ATOM 62 CE3 TRP A 7 -29.747 -22.000 14.076 1.00 6.39 C +ANISOU 62 CE3 TRP A 7 1135 704 588 261 -34 -28 C +ATOM 63 CD2 TRP A 7 -29.594 -21.708 15.436 1.00 6.49 C +ANISOU 63 CD2 TRP A 7 1155 708 604 276 -34 -63 C +ATOM 64 C TRP A 7 -33.925 -20.536 15.065 1.00 6.45 C +ANISOU 64 C TRP A 7 999 939 512 135 -34 48 C +ATOM 65 O TRP A 7 -34.139 -21.141 14.017 1.00 6.93 O +ANISOU 65 O TRP A 7 1115 946 572 210 -51 2 O +ATOM 66 N GLN A 8 -34.914 -20.123 15.865 1.00 6.58 N +ANISOU 66 N GLN A 8 964 1014 521 124 -81 13 N +ATOM 67 CA GLN A 8 -36.284 -20.398 15.483 1.00 6.57 C +ANISOU 67 CA GLN A 8 988 856 652 130 -3 3 C +ATOM 68 CB GLN A 8 -37.241 -20.136 16.629 1.00 8.67 C +ANISOU 68 CB GLN A 8 1016 1479 798 110 122 -22 C +ATOM 69 CG GLN A 8 -37.116 -21.187 17.738 1.00 10.42 C +ANISOU 69 CG GLN A 8 1269 1845 844 -240 34 223 C +ATOM 70 CD GLN A 8 -37.361 -22.582 17.210 1.00 11.71 C +ANISOU 70 CD GLN A 8 1582 1850 1017 -422 -96 327 C +ATOM 71 OE1 GLN A 8 -38.141 -22.793 16.269 1.00 14.70 O +ANISOU 71 OE1 GLN A 8 2151 1986 1446 -484 -544 359 O +ATOM 72 NE2 GLN A 8 -36.751 -23.578 17.834 1.00 14.65 N +ANISOU 72 NE2 GLN A 8 2316 1786 1465 -309 -308 189 N +ATOM 73 C GLN A 8 -36.677 -19.634 14.215 1.00 6.22 C +ANISOU 73 C GLN A 8 839 941 583 136 69 -20 C +ATOM 74 O GLN A 8 -37.418 -20.154 13.390 1.00 7.20 O +ANISOU 74 O GLN A 8 920 1154 661 65 -71 27 O +ATOM 75 N LEU A 9 -36.163 -18.417 14.015 1.00 6.35 N +ANISOU 75 N LEU A 9 995 833 585 166 -118 -69 N +ATOM 76 CA LEU A 9 -36.411 -17.721 12.761 1.00 6.03 C +ANISOU 76 CA LEU A 9 724 887 681 164 -3 36 C +ATOM 77 CB LEU A 9 -35.906 -16.279 12.825 1.00 6.82 C +ANISOU 77 CB LEU A 9 1037 832 722 200 108 56 C +ATOM 78 CG LEU A 9 -36.662 -15.367 13.781 1.00 7.82 C +ANISOU 78 CG LEU A 9 1208 934 830 334 77 -64 C +ATOM 79 CD1 LEU A 9 -35.955 -14.039 13.931 1.00 11.81 C +ANISOU 79 CD1 LEU A 9 2288 844 1354 127 408 -303 C +ATOM 80 CD2 LEU A 9 -38.080 -15.171 13.352 1.00 12.27 C +ANISOU 80 CD2 LEU A 9 1305 1847 1511 674 -44 -443 C +ATOM 81 C LEU A 9 -35.788 -18.447 11.571 1.00 5.57 C +ANISOU 81 C LEU A 9 772 685 660 140 -48 39 C +ATOM 82 O LEU A 9 -36.373 -18.535 10.492 1.00 6.71 O +ANISOU 82 O LEU A 9 848 1037 665 246 -136 65 O +ATOM 83 N VAL A 10 -34.586 -18.991 11.760 1.00 5.13 N +ANISOU 83 N VAL A 10 773 697 479 131 -32 16 N +ATOM 84 CA VAL A 10 -33.942 -19.797 10.737 1.00 5.28 C +ANISOU 84 CA VAL A 10 838 695 474 139 22 46 C +ATOM 85 CB VAL A 10 -32.506 -20.185 11.203 1.00 5.56 C +ANISOU 85 CB VAL A 10 746 735 633 83 28 44 C +ATOM 86 CG1 VAL A 10 -31.890 -21.230 10.285 1.00 6.82 C +ANISOU 86 CG1 VAL A 10 865 821 906 204 37 -59 C +ATOM 87 CG2 VAL A 10 -31.634 -18.959 11.312 1.00 6.43 C +ANISOU 87 CG2 VAL A 10 839 773 829 72 27 3 C +ATOM 88 C VAL A 10 -34.783 -21.020 10.393 1.00 5.36 C +ANISOU 88 C VAL A 10 799 729 507 120 58 29 C +ATOM 89 O VAL A 10 -35.040 -21.334 9.225 1.00 6.20 O +ANISOU 89 O VAL A 10 895 895 565 21 -28 -33 O +ATOM 90 N LEU A 11 -35.191 -21.753 11.428 1.00 5.68 N +ANISOU 90 N LEU A 11 959 725 475 3 70 -29 N +ATOM 91 CA LEU A 11 -35.893 -23.011 11.222 1.00 6.50 C +ANISOU 91 CA LEU A 11 999 728 742 -66 -26 94 C +ATOM 92 CB LEU A 11 -35.906 -23.806 12.519 1.00 7.98 C +ANISOU 92 CB LEU A 11 1351 943 737 -185 -26 165 C +ATOM 93 CG LEU A 11 -34.520 -24.271 12.986 1.00 10.84 C +ANISOU 93 CG LEU A 11 1772 939 1408 32 -534 250 C +ATOM 94 CD1 LEU A 11 -34.604 -24.929 14.332 1.00 16.00 C +ANISOU 94 CD1 LEU A 11 2584 1763 1733 -484 -921 763 C +ATOM 95 CD2 LEU A 11 -33.846 -25.218 11.986 1.00 13.88 C +ANISOU 95 CD2 LEU A 11 2008 1156 2108 417 -827 -203 C +ATOM 96 C LEU A 11 -37.297 -22.794 10.659 1.00 6.32 C +ANISOU 96 C LEU A 11 947 891 564 -77 116 -12 C +ATOM 97 O LEU A 11 -37.800 -23.618 9.895 1.00 7.28 O +ANISOU 97 O LEU A 11 1086 965 712 -180 -79 -5 O +ATOM 98 N HIS A 12 -37.953 -21.672 10.995 1.00 6.40 N +ANISOU 98 N HIS A 12 913 949 569 -18 58 -69 N +ATOM 99 CA HIS A 12 -39.286 -21.418 10.489 1.00 6.75 C +ANISOU 99 CA HIS A 12 824 1013 727 -196 96 -56 C +ATOM 100 CB HIS A 12 -40.014 -20.354 11.317 1.00 8.59 C +ANISOU 100 CB HIS A 12 1077 1280 908 23 5 -241 C +ATOM 101 CG HIS A 12 -40.556 -20.923 12.601 1.00 12.33 C +ANISOU 101 CG HIS A 12 1539 2088 1060 -18 280 -121 C +ATOM 102 ND1 HIS A 12 -41.890 -21.215 12.789 1.00 20.91 N +ANISOU 102 ND1 HIS A 12 2030 3496 2418 -542 1105 160 N +ATOM 103 CE1 HIS A 12 -41.977 -21.702 14.034 1.00 20.00 C +ANISOU 103 CE1 HIS A 12 1187 4402 2010 -796 1011 -163 C +ATOM 104 NE2 HIS A 12 -40.777 -21.756 14.616 1.00 21.85 N +ANISOU 104 NE2 HIS A 12 2310 4182 1811 -533 819 393 N +ATOM 105 CD2 HIS A 12 -39.877 -21.268 13.725 1.00 13.14 C +ANISOU 105 CD2 HIS A 12 1276 2602 1113 -406 17 -43 C +ATOM 106 C HIS A 12 -39.296 -21.096 8.992 1.00 6.47 C +ANISOU 106 C HIS A 12 606 1013 837 -20 77 77 C +ATOM 107 O HIS A 12 -40.232 -21.501 8.308 1.00 8.98 O +ANISOU 107 O HIS A 12 700 1827 883 -374 61 89 O +ATOM 108 N VAL A 13 -38.270 -20.436 8.453 1.00 5.39 N +ANISOU 108 N VAL A 13 759 652 639 -36 23 6 N +ATOM 109 CA VAL A 13 -38.203 -20.300 7.002 1.00 5.06 C +ANISOU 109 CA VAL A 13 608 688 628 2 -2 42 C +ATOM 110 CB VAL A 13 -37.385 -19.080 6.546 1.00 5.31 C +ANISOU 110 CB VAL A 13 720 588 711 -26 0 -74 C +ATOM 111 CG1 VAL A 13 -35.888 -19.252 6.752 1.00 6.43 C +ANISOU 111 CG1 VAL A 13 764 721 959 -144 -216 169 C +ATOM 112 CG2 VAL A 13 -37.689 -18.736 5.091 1.00 6.08 C +ANISOU 112 CG2 VAL A 13 757 729 823 -46 19 121 C +ATOM 113 C VAL A 13 -37.762 -21.617 6.356 1.00 4.83 C +ANISOU 113 C VAL A 13 568 642 625 -36 -1 43 C +ATOM 114 O VAL A 13 -38.236 -21.975 5.275 1.00 5.38 O +ANISOU 114 O VAL A 13 658 708 679 -56 -94 30 O +ATOM 115 N TRP A 14 -36.880 -22.378 7.011 1.00 4.99 N +ANISOU 115 N TRP A 14 700 693 503 -17 -37 29 N +ATOM 116 CA TRP A 14 -36.437 -23.639 6.445 1.00 5.11 C +ANISOU 116 CA TRP A 14 605 697 638 39 1 45 C +ATOM 117 CB TRP A 14 -35.279 -24.279 7.250 1.00 5.31 C +ANISOU 117 CB TRP A 14 635 658 724 -35 -80 113 C +ATOM 118 CG TRP A 14 -34.453 -25.134 6.350 1.00 5.59 C +ANISOU 118 CG TRP A 14 582 658 883 48 -248 -30 C +ATOM 119 CD1 TRP A 14 -34.452 -26.496 6.252 1.00 7.55 C +ANISOU 119 CD1 TRP A 14 876 731 1260 110 -421 -99 C +ATOM 120 NE1 TRP A 14 -33.600 -26.883 5.231 1.00 8.44 N +ANISOU 120 NE1 TRP A 14 1030 679 1497 350 -356 -419 N +ATOM 121 CE2 TRP A 14 -33.050 -25.764 4.654 1.00 7.59 C +ANISOU 121 CE2 TRP A 14 864 989 1029 328 -267 -344 C +ATOM 122 CZ2 TRP A 14 -32.129 -25.625 3.593 1.00 10.06 C +ANISOU 122 CZ2 TRP A 14 908 1647 1266 561 -107 -477 C +ATOM 123 CH2 TRP A 14 -31.746 -24.346 3.256 1.00 11.48 C +ANISOU 123 CH2 TRP A 14 972 2079 1309 219 169 -348 C +ATOM 124 CZ3 TRP A 14 -32.244 -23.233 3.914 1.00 10.53 C +ANISOU 124 CZ3 TRP A 14 905 1583 1514 -31 351 -6 C +ATOM 125 CE3 TRP A 14 -33.156 -23.363 4.945 1.00 7.84 C +ANISOU 125 CE3 TRP A 14 766 983 1230 104 191 -74 C +ATOM 126 CD2 TRP A 14 -33.560 -24.646 5.341 1.00 6.24 C +ANISOU 126 CD2 TRP A 14 592 816 963 171 -125 -194 C +ATOM 127 C TRP A 14 -37.617 -24.593 6.299 1.00 4.51 C +ANISOU 127 C TRP A 14 552 527 636 135 -19 116 C +ATOM 128 O TRP A 14 -37.667 -25.411 5.373 1.00 5.53 O +ANISOU 128 O TRP A 14 749 627 725 87 28 2 O +ATOM 129 N ALA A 15 -38.586 -24.518 7.222 1.00 5.10 N +ANISOU 129 N ALA A 15 678 675 585 -56 13 -19 N +ATOM 130 CA ALA A 15 -39.787 -25.337 7.130 1.00 5.51 C +ANISOU 130 CA ALA A 15 754 632 706 -102 -33 87 C +ATOM 131 CB ALA A 15 -40.718 -25.021 8.306 1.00 7.36 C +ANISOU 131 CB ALA A 15 819 1192 785 -155 107 169 C +ATOM 132 C ALA A 15 -40.516 -25.130 5.806 1.00 5.18 C +ANISOU 132 C ALA A 15 680 669 618 -44 52 36 C +ATOM 133 O ALA A 15 -41.148 -26.048 5.277 1.00 6.71 O +ANISOU 133 O ALA A 15 864 704 983 -160 -212 92 O +ATOM 134 N LYS A 16 -40.482 -23.891 5.290 1.00 5.14 N +ANISOU 134 N LYS A 16 642 582 727 -25 5 4 N +ATOM 135 CA LYS A 16 -41.097 -23.565 4.002 1.00 5.06 C +ANISOU 135 CA LYS A 16 575 528 821 22 -30 60 C +ATOM 136 CB LYS A 16 -41.354 -22.059 3.869 1.00 5.62 C +ANISOU 136 CB LYS A 16 722 509 903 44 -48 80 C +ATOM 137 CG LYS A 16 -42.120 -21.430 5.012 1.00 6.97 C +ANISOU 137 CG LYS A 16 733 692 1224 223 -77 -151 C +ATOM 138 CD LYS A 16 -43.438 -22.136 5.401 1.00 9.61 C +ANISOU 138 CD LYS A 16 472 1354 1824 116 -48 -547 C +ATOM 139 CE LYS A 16 -44.104 -21.553 6.631 1.00 10.50 C +ANISOU 139 CE LYS A 16 1068 1353 1570 290 80 -277 C +ATOM 140 NZ LYS A 16 -45.113 -22.483 7.171 1.00 16.72 N +ANISOU 140 NZ LYS A 16 845 3747 1761 -519 -223 607 N +ATOM 141 C LYS A 16 -40.283 -24.109 2.824 1.00 5.12 C +ANISOU 141 C LYS A 16 636 500 810 -26 -25 49 C +ATOM 142 O LYS A 16 -40.837 -24.645 1.864 1.00 5.89 O +ANISOU 142 O LYS A 16 787 654 796 -57 -113 21 O +ATOM 143 N VAL A 17 -38.952 -23.987 2.901 1.00 4.76 N +ANISOU 143 N VAL A 17 646 493 670 -107 -26 -59 N +ATOM 144 CA VAL A 17 -38.061 -24.614 1.921 1.00 4.99 C +ANISOU 144 CA VAL A 17 671 654 571 -107 34 36 C +ATOM 145 CB VAL A 17 -36.585 -24.441 2.343 1.00 5.80 C +ANISOU 145 CB VAL A 17 683 859 663 -172 3 14 C +ATOM 146 CG1 VAL A 17 -35.652 -25.248 1.460 1.00 6.88 C +ANISOU 146 CG1 VAL A 17 649 1129 835 -304 51 -236 C +ATOM 147 CG2 VAL A 17 -36.209 -22.979 2.371 1.00 6.74 C +ANISOU 147 CG2 VAL A 17 856 1004 699 -376 -53 95 C +ATOM 148 C VAL A 17 -38.409 -26.087 1.758 1.00 4.93 C +ANISOU 148 C VAL A 17 581 624 666 -59 81 27 C +ATOM 149 O VAL A 17 -38.467 -26.607 0.644 1.00 5.58 O +ANISOU 149 O VAL A 17 729 736 656 -66 66 10 O +ATOM 150 N GLU A 18 -38.656 -26.758 2.887 1.00 4.64 N +ANISOU 150 N GLU A 18 600 563 599 -74 48 -1 N +ATOM 151 CA GLU A 18 -38.933 -28.180 2.880 1.00 4.86 C +ANISOU 151 CA GLU A 18 559 522 768 45 68 66 C +ATOM 152 CB GLU A 18 -38.750 -28.742 4.306 1.00 5.18 C +ANISOU 152 CB GLU A 18 657 564 747 -4 -45 31 C +ATOM 153 CG GLU A 18 -37.297 -28.762 4.740 1.00 5.46 C +ANISOU 153 CG GLU A 18 620 579 874 165 -1 -11 C +ATOM 154 CD GLU A 18 -37.073 -29.273 6.127 1.00 5.84 C +ANISOU 154 CD GLU A 18 728 615 875 -14 -83 -2 C +ATOM 155 OE1 GLU A 18 -37.987 -29.132 6.957 1.00 7.09 O +ANISOU 155 OE1 GLU A 18 951 854 887 -110 17 -43 O +ATOM 156 OE2 GLU A 18 -35.968 -29.802 6.388 1.00 7.44 O +ANISOU 156 OE2 GLU A 18 758 1132 939 86 -132 125 O +ATOM 157 C GLU A 18 -40.280 -28.579 2.297 1.00 5.00 C +ANISOU 157 C GLU A 18 617 580 701 68 38 -66 C +ATOM 158 O GLU A 18 -40.504 -29.767 2.070 1.00 5.80 O +ANISOU 158 O GLU A 18 741 536 928 81 15 -65 O +ATOM 159 N ALA A 19 -41.161 -27.629 1.983 1.00 5.07 N +ANISOU 159 N ALA A 19 589 533 804 -68 -112 12 N +ATOM 160 CA ALA A 19 -42.312 -27.987 1.170 1.00 4.95 C +ANISOU 160 CA ALA A 19 491 630 760 -96 -26 16 C +ATOM 161 CB ALA A 19 -43.233 -26.784 1.010 1.00 6.27 C +ANISOU 161 CB ALA A 19 437 908 1036 116 -38 -108 C +ATOM 162 C ALA A 19 -41.894 -28.504 -0.212 1.00 4.98 C +ANISOU 162 C ALA A 19 575 557 759 -132 -28 7 C +ATOM 163 O ALA A 19 -42.604 -29.293 -0.811 1.00 5.90 O +ANISOU 163 O ALA A 19 486 786 972 -147 3 -220 O +ATOM 164 N ASP A 20 -40.757 -28.038 -0.713 1.00 4.83 N +ANISOU 164 N ASP A 20 551 567 718 -160 -30 -88 N +ATOM 165 CA ASP A 20 -40.292 -28.345 -2.058 1.00 5.15 C +ANISOU 165 CA ASP A 20 608 670 679 -57 29 -20 C +ATOM 166 CB ASP A 20 -41.075 -27.538 -3.088 1.00 6.78 C +ANISOU 166 CB ASP A 20 650 1092 833 41 -51 82 C +ATOM 167 CG ASP A 20 -40.598 -27.684 -4.518 1.00 7.12 C +ANISOU 167 CG ASP A 20 702 1228 778 -2 -154 -1 C +ATOM 168 OD1 ASP A 20 -39.893 -28.671 -4.822 1.00 7.29 O +ANISOU 168 OD1 ASP A 20 800 1123 845 -156 44 -111 O +ATOM 169 OD2 ASP A 20 -40.899 -26.799 -5.329 1.00 10.33 O +ANISOU 169 OD2 ASP A 20 1512 1567 847 361 26 194 O +ATOM 170 C ASP A 20 -38.803 -28.056 -2.145 1.00 4.60 C +ANISOU 170 C ASP A 20 575 603 570 18 36 -29 C +ATOM 171 O ASP A 20 -38.375 -27.061 -2.735 1.00 5.27 O +ANISOU 171 O ASP A 20 729 606 668 25 82 11 O +ATOM 172 N VAL A 21 -37.984 -28.920 -1.549 1.00 4.77 N +ANISOU 172 N VAL A 21 488 537 786 -16 54 0 N +ATOM 173 CA VAL A 21 -36.564 -28.603 -1.481 1.00 4.62 C +ANISOU 173 CA VAL A 21 491 490 774 37 71 -15 C +ATOM 174 CB VAL A 21 -35.806 -29.541 -0.521 1.00 5.62 C +ANISOU 174 CB VAL A 21 623 714 798 9 35 144 C +ATOM 175 CG1 VAL A 21 -35.759 -30.974 -0.985 1.00 6.26 C +ANISOU 175 CG1 VAL A 21 840 740 797 83 65 115 C +ATOM 176 CG2 VAL A 21 -34.414 -29.015 -0.269 1.00 6.57 C +ANISOU 176 CG2 VAL A 21 605 895 997 26 -8 131 C +ATOM 177 C VAL A 21 -35.958 -28.552 -2.879 1.00 4.77 C +ANISOU 177 C VAL A 21 502 556 756 10 66 -9 C +ATOM 178 O VAL A 21 -35.094 -27.722 -3.138 1.00 5.36 O +ANISOU 178 O VAL A 21 612 679 746 -109 89 76 O +ATOM 179 N ALA A 22 -36.416 -29.427 -3.785 1.00 5.11 N +ANISOU 179 N ALA A 22 563 713 667 -54 108 -60 N +ATOM 180 CA ALA A 22 -35.858 -29.437 -5.126 1.00 5.24 C +ANISOU 180 CA ALA A 22 711 666 615 104 82 -41 C +ATOM 181 CB ALA A 22 -36.479 -30.575 -5.930 1.00 6.56 C +ANISOU 181 CB ALA A 22 1066 654 771 -12 147 -113 C +ATOM 182 C ALA A 22 -36.035 -28.091 -5.843 1.00 4.94 C +ANISOU 182 C ALA A 22 682 640 555 -24 87 -100 C +ATOM 183 O ALA A 22 -35.102 -27.585 -6.465 1.00 6.14 O +ANISOU 183 O ALA A 22 720 842 769 -101 120 38 O +ATOM 184 N GLY A 23 -37.245 -27.518 -5.796 1.00 5.35 N +ANISOU 184 N GLY A 23 597 748 689 -81 -5 69 N +ATOM 185 CA GLY A 23 -37.488 -26.264 -6.485 1.00 6.01 C +ANISOU 185 CA GLY A 23 760 835 689 22 -139 102 C +ATOM 186 C GLY A 23 -36.674 -25.115 -5.893 1.00 5.14 C +ANISOU 186 C GLY A 23 691 730 533 95 37 72 C +ATOM 187 O GLY A 23 -36.149 -24.254 -6.607 1.00 5.64 O +ANISOU 187 O GLY A 23 810 727 606 17 4 133 O +ATOM 188 N HIS A 24 -36.578 -25.094 -4.567 1.00 5.06 N +ANISOU 188 N HIS A 24 595 778 549 -2 26 41 N +ATOM 189 CA HIS A 24 -35.734 -24.100 -3.920 1.00 4.61 C +ANISOU 189 CA HIS A 24 619 490 642 97 -40 70 C +ATOM 190 CB HIS A 24 -35.886 -24.159 -2.395 1.00 5.16 C +ANISOU 190 CB HIS A 24 697 582 683 38 94 53 C +ATOM 191 CG HIS A 24 -37.207 -23.662 -1.873 1.00 5.05 C +ANISOU 191 CG HIS A 24 644 612 661 36 8 40 C +ATOM 192 ND1 HIS A 24 -38.364 -24.407 -1.902 1.00 5.16 N +ANISOU 192 ND1 HIS A 24 475 741 746 73 20 127 N +ATOM 193 CE1 HIS A 24 -39.327 -23.659 -1.350 1.00 5.38 C +ANISOU 193 CE1 HIS A 24 512 748 785 -10 67 86 C +ATOM 194 NE2 HIS A 24 -38.863 -22.487 -0.972 1.00 5.98 N +ANISOU 194 NE2 HIS A 24 672 737 864 61 60 43 N +ATOM 195 CD2 HIS A 24 -37.525 -22.481 -1.296 1.00 5.66 C +ANISOU 195 CD2 HIS A 24 640 576 934 -44 100 -42 C +ATOM 196 C HIS A 24 -34.261 -24.270 -4.294 1.00 4.41 C +ANISOU 196 C HIS A 24 628 577 471 28 -46 78 C +ATOM 197 O HIS A 24 -33.543 -23.286 -4.501 1.00 5.65 O +ANISOU 197 O HIS A 24 719 642 787 -51 71 78 O +ATOM 198 N GLY A 25 -33.813 -25.528 -4.352 1.00 4.68 N +ANISOU 198 N GLY A 25 537 561 681 1 120 119 N +ATOM 199 CA GLY A 25 -32.431 -25.826 -4.673 1.00 4.75 C +ANISOU 199 CA GLY A 25 513 645 648 14 56 74 C +ATOM 200 C GLY A 25 -32.066 -25.364 -6.077 1.00 5.11 C +ANISOU 200 C GLY A 25 658 688 597 -63 97 -19 C +ATOM 201 O GLY A 25 -31.020 -24.757 -6.301 1.00 5.42 O +ANISOU 201 O GLY A 25 579 791 690 18 118 105 O +ATOM 202 N GLN A 26 -32.951 -25.646 -7.032 1.00 5.39 N +ANISOU 202 N GLN A 26 748 699 600 -83 52 -31 N +ATOM 203 CA GLN A 26 -32.746 -25.188 -8.394 1.00 5.58 C +ANISOU 203 CA GLN A 26 709 781 631 -102 162 -30 C +ATOM 204 CB GLN A 26 -33.912 -25.622 -9.307 1.00 6.30 C +ANISOU 204 CB GLN A 26 840 930 623 -174 112 -101 C +ATOM 205 CG GLN A 26 -33.948 -27.112 -9.587 1.00 6.77 C +ANISOU 205 CG GLN A 26 958 941 675 -109 103 -140 C +ATOM 206 CD GLN A 26 -35.179 -27.468 -10.364 1.00 9.02 C +ANISOU 206 CD GLN A 26 996 1355 1073 -338 85 -345 C +ATOM 207 OE1 GLN A 26 -36.288 -27.220 -9.904 1.00 12.57 O +ANISOU 207 OE1 GLN A 26 974 2116 1688 -352 223 -642 O +ATOM 208 NE2 GLN A 26 -35.001 -27.998 -11.547 1.00 10.49 N +ANISOU 208 NE2 GLN A 26 1145 1730 1111 -212 -222 -458 N +ATOM 209 C GLN A 26 -32.585 -23.674 -8.416 1.00 5.25 C +ANISOU 209 C GLN A 26 668 770 557 -75 -18 -34 C +ATOM 210 O GLN A 26 -31.678 -23.128 -9.038 1.00 6.44 O +ANISOU 210 O GLN A 26 775 930 742 -93 99 86 O +ATOM 211 N ASP A 27 -33.506 -22.975 -7.750 1.00 5.50 N +ANISOU 211 N ASP A 27 694 795 600 15 51 77 N +ATOM 212 CA ASP A 27 -33.459 -21.518 -7.758 1.00 5.67 C +ANISOU 212 CA ASP A 27 694 796 663 76 23 108 C +ATOM 213 CB ASP A 27 -34.627 -20.915 -6.996 1.00 6.09 C +ANISOU 213 CB ASP A 27 594 787 934 -107 140 19 C +ATOM 214 CG ASP A 27 -35.970 -20.952 -7.661 1.00 7.69 C +ANISOU 214 CG ASP A 27 754 1135 1032 30 -19 176 C +ATOM 215 OD1 ASP A 27 -36.060 -21.437 -8.774 1.00 10.51 O +ANISOU 215 OD1 ASP A 27 1076 1700 1216 196 -323 -182 O +ATOM 216 OD2 ASP A 27 -36.944 -20.510 -7.034 1.00 9.03 O +ANISOU 216 OD2 ASP A 27 685 1530 1216 132 1 188 O +ATOM 217 C ASP A 27 -32.145 -20.997 -7.175 1.00 5.21 C +ANISOU 217 C ASP A 27 592 718 670 114 143 75 C +ATOM 218 O ASP A 27 -31.555 -20.050 -7.696 1.00 5.92 O +ANISOU 218 O ASP A 27 812 689 749 0 17 142 O +ATOM 219 N ILE A 28 -31.693 -21.594 -6.072 1.00 5.14 N +ANISOU 219 N ILE A 28 592 616 746 -16 55 72 N +ATOM 220 CA ILE A 28 -30.486 -21.136 -5.409 1.00 5.02 C +ANISOU 220 CA ILE A 28 650 597 661 -28 48 25 C +ATOM 221 CB ILE A 28 -30.387 -21.772 -3.989 1.00 5.03 C +ANISOU 221 CB ILE A 28 681 519 709 5 45 100 C +ATOM 222 CG1 ILE A 28 -31.473 -21.153 -3.108 1.00 5.42 C +ANISOU 222 CG1 ILE A 28 800 536 724 -2 64 10 C +ATOM 223 CG2 ILE A 28 -28.998 -21.587 -3.413 1.00 6.13 C +ANISOU 223 CG2 ILE A 28 699 821 807 -4 -40 152 C +ATOM 224 CD1 ILE A 28 -31.724 -21.893 -1.805 1.00 6.27 C +ANISOU 224 CD1 ILE A 28 860 791 729 -21 151 72 C +ATOM 225 C ILE A 28 -29.233 -21.361 -6.258 1.00 5.45 C +ANISOU 225 C ILE A 28 652 701 717 27 53 98 C +ATOM 226 O ILE A 28 -28.433 -20.440 -6.421 1.00 6.00 O +ANISOU 226 O ILE A 28 682 751 845 -63 76 53 O +ATOM 227 N LEU A 29 -29.043 -22.573 -6.790 1.00 5.31 N +ANISOU 227 N LEU A 29 571 733 713 21 96 38 N +ATOM 228 CA LEU A 29 -27.836 -22.792 -7.584 1.00 5.85 C +ANISOU 228 CA LEU A 29 515 899 809 33 84 93 C +ATOM 229 CB LEU A 29 -27.607 -24.269 -7.856 1.00 6.91 C +ANISOU 229 CB LEU A 29 708 926 991 69 260 5 C +ATOM 230 CG LEU A 29 -26.780 -25.029 -6.765 1.00 8.00 C +ANISOU 230 CG LEU A 29 1019 960 1062 32 57 39 C +ATOM 231 CD1 LEU A 29 -25.359 -24.508 -6.660 1.00 9.40 C +ANISOU 231 CD1 LEU A 29 1016 1043 1512 108 -39 108 C +ATOM 232 CD2 LEU A 29 -27.447 -25.023 -5.438 1.00 8.28 C +ANISOU 232 CD2 LEU A 29 1245 970 929 -81 -14 82 C +ATOM 233 C LEU A 29 -27.863 -21.988 -8.878 1.00 5.84 C +ANISOU 233 C LEU A 29 631 828 759 7 173 -2 C +ATOM 234 O LEU A 29 -26.823 -21.480 -9.289 1.00 7.47 O +ANISOU 234 O LEU A 29 759 1127 954 -75 308 136 O +ATOM 235 N ILE A 30 -29.034 -21.874 -9.513 1.00 5.96 N +ANISOU 235 N ILE A 30 662 957 646 -68 167 40 N +ATOM 236 CA ILE A 30 -29.114 -21.075 -10.727 1.00 7.12 C +ANISOU 236 CA ILE A 30 894 1230 583 -154 135 71 C +ATOM 237 CB ILE A 30 -30.475 -21.265 -11.426 1.00 7.95 C +ANISOU 237 CB ILE A 30 987 1457 575 -267 59 86 C +ATOM 238 CG1 ILE A 30 -30.548 -22.698 -11.946 1.00 10.37 C +ANISOU 238 CG1 ILE A 30 1450 1825 666 -435 276 -324 C +ATOM 239 CG2 ILE A 30 -30.693 -20.257 -12.515 1.00 12.11 C +ANISOU 239 CG2 ILE A 30 1625 2180 796 -579 -320 539 C +ATOM 240 CD1 ILE A 30 -31.914 -23.107 -12.462 1.00 12.50 C +ANISOU 240 CD1 ILE A 30 1860 2171 719 -924 0 -247 C +ATOM 241 C ILE A 30 -28.791 -19.612 -10.413 1.00 6.94 C +ANISOU 241 C ILE A 30 713 1186 739 -100 -14 211 C +ATOM 242 O ILE A 30 -28.074 -18.954 -11.169 1.00 8.50 O +ANISOU 242 O ILE A 30 916 1298 1017 -239 94 327 O +ATOM 243 N ARG A 31 -29.296 -19.092 -9.287 1.00 6.44 N +ANISOU 243 N ARG A 31 696 918 834 -124 89 203 N +ATOM 244 CA ARG A 31 -28.967 -17.732 -8.887 1.00 7.01 C +ANISOU 244 CA ARG A 31 923 762 978 -37 -39 368 C +ATOM 245 CB ARG A 31 -29.744 -17.333 -7.624 1.00 8.16 C +ANISOU 245 CB ARG A 31 960 997 1141 71 11 133 C +ATOM 246 CG ARG A 31 -29.393 -15.955 -7.102 1.00 10.70 C +ANISOU 246 CG ARG A 31 1417 1138 1510 -43 -257 9 C +ATOM 247 CD ARG A 31 -29.843 -14.837 -8.010 1.00 13.14 C +ANISOU 247 CD ARG A 31 1962 1525 1505 96 50 267 C +ATOM 248 NE ARG A 31 -29.414 -13.554 -7.477 1.00 16.76 N +ANISOU 248 NE ARG A 31 2571 1571 2227 -106 282 241 N +ATOM 249 CZ ARG A 31 -29.655 -12.392 -8.057 1.00 21.45 C +ANISOU 249 CZ ARG A 31 3285 1515 3349 200 -303 352 C +ATOM 250 NH1 ARG A 31 -30.417 -12.301 -9.135 1.00 22.76 N +ANISOU 250 NH1 ARG A 31 3718 2243 2687 261 -24 896 N +ATOM 251 NH2 ARG A 31 -29.104 -11.293 -7.553 1.00 24.60 N +ANISOU 251 NH2 ARG A 31 3651 1759 3935 -58 394 -230 N +ATOM 252 C ARG A 31 -27.465 -17.549 -8.681 1.00 7.41 C +ANISOU 252 C ARG A 31 933 954 927 -164 -71 339 C +ATOM 253 O ARG A 31 -26.882 -16.543 -9.103 1.00 9.08 O +ANISOU 253 O ARG A 31 1072 1017 1361 -227 -22 423 O +ATOM 254 N LEU A 32 -26.825 -18.527 -8.023 1.00 6.81 N +ANISOU 254 N LEU A 32 805 916 866 -169 -25 303 N +ATOM 255 CA LEU A 32 -25.380 -18.488 -7.823 1.00 7.21 C +ANISOU 255 CA LEU A 32 806 1098 836 -164 6 309 C +ATOM 256 CB LEU A 32 -24.922 -19.743 -7.075 1.00 7.03 C +ANISOU 256 CB LEU A 32 823 1080 769 -62 16 249 C +ATOM 257 CG LEU A 32 -23.396 -19.892 -6.916 1.00 7.18 C +ANISOU 257 CG LEU A 32 816 1126 787 -47 29 139 C +ATOM 258 CD1 LEU A 32 -22.840 -18.786 -6.080 1.00 8.31 C +ANISOU 258 CD1 LEU A 32 757 1351 1048 -42 51 24 C +ATOM 259 CD2 LEU A 32 -23.065 -21.258 -6.356 1.00 8.25 C +ANISOU 259 CD2 LEU A 32 818 1306 1010 134 11 249 C +ATOM 260 C LEU A 32 -24.663 -18.397 -9.171 1.00 8.17 C +ANISOU 260 C LEU A 32 911 1243 950 -141 120 429 C +ATOM 261 O LEU A 32 -23.754 -17.591 -9.364 1.00 9.31 O +ANISOU 261 O LEU A 32 1022 1400 1117 -313 -7 529 O +ATOM 262 N PHE A 33 -25.023 -19.288 -10.095 1.00 7.78 N +ANISOU 262 N PHE A 33 708 1431 817 -100 150 303 N +ATOM 263 CA PHE A 33 -24.338 -19.355 -11.381 1.00 9.09 C +ANISOU 263 CA PHE A 33 790 1900 762 -52 112 424 C +ATOM 264 CB PHE A 33 -24.768 -20.590 -12.150 1.00 9.65 C +ANISOU 264 CB PHE A 33 885 2051 732 128 133 234 C +ATOM 265 CG PHE A 33 -24.428 -21.918 -11.507 1.00 9.29 C +ANISOU 265 CG PHE A 33 889 1907 732 110 85 85 C +ATOM 266 CD1 PHE A 33 -23.329 -22.052 -10.668 1.00 10.31 C +ANISOU 266 CD1 PHE A 33 1069 2131 716 175 71 61 C +ATOM 267 CD2 PHE A 33 -25.209 -23.036 -11.739 1.00 9.34 C +ANISOU 267 CD2 PHE A 33 1085 1692 770 212 145 24 C +ATOM 268 CE1 PHE A 33 -23.014 -23.269 -10.112 1.00 11.50 C +ANISOU 268 CE1 PHE A 33 1285 2270 813 385 -57 -51 C +ATOM 269 CE2 PHE A 33 -24.888 -24.261 -11.174 1.00 10.75 C +ANISOU 269 CE2 PHE A 33 1260 1815 1011 78 232 257 C +ATOM 270 CZ PHE A 33 -23.787 -24.375 -10.367 1.00 11.35 C +ANISOU 270 CZ PHE A 33 1516 1974 823 482 171 146 C +ATOM 271 C PHE A 33 -24.568 -18.098 -12.212 1.00 10.86 C +ANISOU 271 C PHE A 33 863 2155 1108 -290 38 774 C +ATOM 272 O PHE A 33 -23.692 -17.679 -12.966 1.00 14.38 O +ANISOU 272 O PHE A 33 1248 2699 1517 -413 369 970 O +ATOM 273 N LYS A 34 -25.766 -17.517 -12.110 1.00 10.49 N +ANISOU 273 N LYS A 34 991 1849 1144 -261 3 820 N +ATOM 274 CA LYS A 34 -26.057 -16.291 -12.833 1.00 12.77 C +ANISOU 274 CA LYS A 34 1323 2037 1492 -365 -197 1021 C +ATOM 275 CB LYS A 34 -27.568 -16.050 -12.807 1.00 15.16 C +ANISOU 275 CB LYS A 34 1420 1906 2432 -162 -549 1523 C +ATOM 276 CG LYS A 34 -28.300 -16.950 -13.807 1.00 20.84 C +ANISOU 276 CG LYS A 34 2439 3462 2017 -309 -384 759 C +ATOM 277 CD LYS A 34 -29.822 -16.929 -13.631 1.00 25.32 C +ANISOU 277 CD LYS A 34 2524 3228 3867 -138 -491 654 C +ATOM 278 CE LYS A 34 -30.460 -15.586 -13.830 1.00 30.46 C +ANISOU 278 CE LYS A 34 3974 3886 3712 930 138 809 C +ATOM 279 NZ LYS A 34 -31.932 -15.635 -13.549 1.00 28.93 N +ANISOU 279 NZ LYS A 34 3834 3165 3994 564 -453 -504 N +ATOM 280 C LYS A 34 -25.314 -15.084 -12.264 1.00 12.24 C +ANISOU 280 C LYS A 34 1081 1864 1707 -355 -201 1084 C +ATOM 281 O LYS A 34 -24.774 -14.265 -13.012 1.00 15.16 O +ANISOU 281 O LYS A 34 1623 2221 1915 -464 -93 1343 O +ATOM 282 N SER A 35 -25.293 -14.965 -10.934 1.00 11.25 N +ANISOU 282 N SER A 35 1019 1612 1644 -243 -90 843 N +ATOM 283 CA SER A 35 -24.711 -13.811 -10.271 1.00 11.91 C +ANISOU 283 CA SER A 35 1211 1390 1923 -96 -172 836 C +ATOM 284 CB SER A 35 -25.189 -13.704 -8.839 1.00 12.77 C +ANISOU 284 CB SER A 35 1268 1530 2054 -201 -50 658 C +ATOM 285 OG SER A 35 -26.563 -13.414 -8.763 1.00 20.45 O +ANISOU 285 OG SER A 35 1434 2555 3780 146 272 999 O +ATOM 286 C SER A 35 -23.186 -13.863 -10.273 1.00 11.17 C +ANISOU 286 C SER A 35 1201 1289 1756 -153 26 765 C +ATOM 287 O SER A 35 -22.531 -12.824 -10.278 1.00 13.15 O +ANISOU 287 O SER A 35 1292 1474 2230 -378 -48 868 O +ATOM 288 N HIS A 36 -22.633 -15.081 -10.249 1.00 10.00 N +ANISOU 288 N HIS A 36 962 1307 1529 -149 -18 674 N +ATOM 289 CA HIS A 36 -21.200 -15.288 -10.121 1.00 10.51 C +ANISOU 289 CA HIS A 36 930 1560 1505 -258 -37 736 C +ATOM 290 CB HIS A 36 -20.840 -15.566 -8.645 1.00 11.13 C +ANISOU 290 CB HIS A 36 999 1723 1507 -113 -104 693 C +ATOM 291 CG HIS A 36 -21.190 -14.421 -7.738 1.00 11.88 C +ANISOU 291 CG HIS A 36 1274 1638 1603 -204 -199 591 C +ATOM 292 ND1 HIS A 36 -22.311 -14.394 -6.931 1.00 14.88 N +ANISOU 292 ND1 HIS A 36 1800 2073 1780 279 -17 485 N +ATOM 293 CE1 HIS A 36 -22.288 -13.207 -6.343 1.00 13.69 C +ANISOU 293 CE1 HIS A 36 1283 2121 1798 434 312 441 C +ATOM 294 NE2 HIS A 36 -21.245 -12.497 -6.731 1.00 18.39 N +ANISOU 294 NE2 HIS A 36 2085 2455 2445 93 302 110 N +ATOM 295 CD2 HIS A 36 -20.553 -13.247 -7.613 1.00 11.59 C +ANISOU 295 CD2 HIS A 36 1137 1556 1711 -327 15 634 C +ATOM 296 C HIS A 36 -20.802 -16.441 -11.038 1.00 10.80 C +ANISOU 296 C HIS A 36 966 1701 1434 -220 -120 781 C +ATOM 297 O HIS A 36 -20.534 -17.557 -10.571 1.00 10.28 O +ANISOU 297 O HIS A 36 873 1683 1351 -82 -5 643 O +ATOM 298 N PRO A 37 -20.772 -16.211 -12.373 1.00 12.26 N +ANISOU 298 N PRO A 37 1279 1882 1496 -192 -106 893 N +ATOM 299 CA PRO A 37 -20.560 -17.320 -13.303 1.00 12.96 C +ANISOU 299 CA PRO A 37 1360 2004 1559 -284 247 685 C +ATOM 300 CB PRO A 37 -20.602 -16.645 -14.679 1.00 16.96 C +ANISOU 300 CB PRO A 37 2060 2477 1908 -467 7 1128 C +ATOM 301 CG PRO A 37 -21.290 -15.338 -14.450 1.00 20.00 C +ANISOU 301 CG PRO A 37 3335 2315 1947 -77 -220 845 C +ATOM 302 CD PRO A 37 -21.078 -14.938 -13.042 1.00 13.83 C +ANISOU 302 CD PRO A 37 1477 1994 1784 -38 54 1028 C +ATOM 303 C PRO A 37 -19.282 -18.132 -13.104 1.00 12.49 C +ANISOU 303 C PRO A 37 1172 2258 1316 -382 318 558 C +ATOM 304 O PRO A 37 -19.244 -19.304 -13.471 1.00 13.03 O +ANISOU 304 O PRO A 37 1565 2175 1212 -349 235 409 O +ATOM 305 N GLU A 38 -18.249 -17.524 -12.524 1.00 12.67 N +ANISOU 305 N GLU A 38 1114 2107 1595 -326 358 637 N +ATOM 306 CA GLU A 38 -17.012 -18.238 -12.262 1.00 13.91 C +ANISOU 306 CA GLU A 38 861 2634 1790 -320 449 401 C +ATOM 307 CB GLU A 38 -15.959 -17.295 -11.636 1.00 15.09 C +ANISOU 307 CB GLU A 38 961 2199 2573 -299 379 303 C +ATOM 308 CG GLU A 38 -16.297 -16.716 -10.267 1.00 16.61 C +ANISOU 308 CG GLU A 38 1261 2770 2279 -318 99 313 C +ATOM 309 CD GLU A 38 -17.087 -15.426 -10.262 1.00 16.76 C +ANISOU 309 CD GLU A 38 1193 2522 2653 -674 58 -51 C +ATOM 310 OE1 GLU A 38 -17.938 -15.207 -11.157 1.00 18.04 O +ANISOU 310 OE1 GLU A 38 1307 2950 2598 -637 96 204 O +ATOM 311 OE2 GLU A 38 -16.834 -14.618 -9.343 1.00 18.48 O +ANISOU 311 OE2 GLU A 38 2250 2522 2249 -394 98 78 O +ATOM 312 C GLU A 38 -17.243 -19.464 -11.375 1.00 11.92 C +ANISOU 312 C GLU A 38 742 2261 1526 -41 184 251 C +ATOM 313 O GLU A 38 -16.507 -20.447 -11.452 1.00 13.49 O +ANISOU 313 O GLU A 38 786 2356 1982 46 204 46 O +ATOM 314 N THR A 39 -18.283 -19.425 -10.531 1.00 10.55 N +ANISOU 314 N THR A 39 734 1885 1388 12 136 288 N +ATOM 315 CA THR A 39 -18.547 -20.553 -9.643 1.00 9.43 C +ANISOU 315 CA THR A 39 926 1621 1034 130 -93 101 C +ATOM 316 CB THR A 39 -19.606 -20.223 -8.592 1.00 9.13 C +ANISOU 316 CB THR A 39 959 1435 1075 154 -5 283 C +ATOM 317 OG1 THR A 39 -20.857 -19.924 -9.220 1.00 8.80 O +ANISOU 317 OG1 THR A 39 814 1470 1060 99 80 202 O +ATOM 318 CG2 THR A 39 -19.154 -19.075 -7.684 1.00 10.29 C +ANISOU 318 CG2 THR A 39 1097 1496 1317 173 -71 128 C +ATOM 319 C THR A 39 -18.918 -21.817 -10.412 1.00 8.82 C +ANISOU 319 C THR A 39 937 1536 877 116 15 158 C +ATOM 320 O THR A 39 -18.626 -22.924 -9.977 1.00 9.58 O +ANISOU 320 O THR A 39 1065 1640 934 254 34 225 O +ATOM 321 N LEU A 40 -19.579 -21.656 -11.562 1.00 9.68 N +ANISOU 321 N LEU A 40 963 1780 935 246 -41 131 N +ATOM 322 CA LEU A 40 -19.989 -22.804 -12.357 1.00 9.83 C +ANISOU 322 CA LEU A 40 1218 1904 612 341 144 116 C +ATOM 323 CB LEU A 40 -20.833 -22.336 -13.561 1.00 9.88 C +ANISOU 323 CB LEU A 40 1176 1663 913 234 -93 73 C +ATOM 324 CG LEU A 40 -21.316 -23.414 -14.494 1.00 9.70 C +ANISOU 324 CG LEU A 40 1160 1826 701 240 -1 -55 C +ATOM 325 CD1 LEU A 40 -22.208 -24.443 -13.798 1.00 10.03 C +ANISOU 325 CD1 LEU A 40 1348 1610 854 371 126 -119 C +ATOM 326 CD2 LEU A 40 -21.999 -22.809 -15.688 1.00 12.93 C +ANISOU 326 CD2 LEU A 40 1728 2217 969 129 -375 83 C +ATOM 327 C LEU A 40 -18.771 -23.615 -12.808 1.00 9.84 C +ANISOU 327 C LEU A 40 1053 1820 865 308 50 288 C +ATOM 328 O LEU A 40 -18.846 -24.832 -12.974 1.00 10.08 O +ANISOU 328 O LEU A 40 1152 1721 958 345 15 202 O +ATOM 329 N GLU A 41 -17.638 -22.936 -13.011 1.00 10.28 N +ANISOU 329 N GLU A 41 1159 1831 916 246 193 282 N +ATOM 330 CA GLU A 41 -16.451 -23.602 -13.512 1.00 10.85 C +ANISOU 330 CA GLU A 41 1106 2074 941 225 298 405 C +ATOM 331 CB GLU A 41 -15.424 -22.564 -13.960 1.00 14.19 C +ANISOU 331 CB GLU A 41 1415 2190 1789 156 889 301 C +ATOM 332 CG GLU A 41 -15.942 -21.675 -15.090 1.00 18.56 C +ANISOU 332 CG GLU A 41 2540 2724 1787 -453 684 817 C +ATOM 333 CD GLU A 41 -16.612 -22.419 -16.242 1.00 20.75 C +ANISOU 333 CD GLU A 41 2677 3143 2063 130 -49 667 C +ATOM 334 OE1 GLU A 41 -15.961 -23.353 -16.766 1.00 25.08 O +ANISOU 334 OE1 GLU A 41 3902 3724 1902 616 516 335 O +ATOM 335 OE2 GLU A 41 -17.767 -22.086 -16.618 1.00 22.66 O +ANISOU 335 OE2 GLU A 41 2696 4082 1831 281 -68 287 O +ATOM 336 C GLU A 41 -15.859 -24.586 -12.509 1.00 11.25 C +ANISOU 336 C GLU A 41 1008 2146 1121 241 322 472 C +ATOM 337 O GLU A 41 -15.039 -25.414 -12.874 1.00 13.83 O +ANISOU 337 O GLU A 41 1299 2686 1272 711 523 532 O +ATOM 338 N LYS A 42 -16.259 -24.511 -11.233 1.00 10.08 N +ANISOU 338 N LYS A 42 883 1913 1035 307 171 345 N +ATOM 339 CA LYS A 42 -15.849 -25.495 -10.246 1.00 9.91 C +ANISOU 339 CA LYS A 42 772 2061 933 210 -12 281 C +ATOM 340 CB LYS A 42 -16.085 -24.944 -8.823 1.00 10.38 C +ANISOU 340 CB LYS A 42 879 2097 970 147 3 306 C +ATOM 341 CG LYS A 42 -15.122 -23.851 -8.420 1.00 10.74 C +ANISOU 341 CG LYS A 42 1038 1918 1126 160 4 264 C +ATOM 342 CD LYS A 42 -13.707 -24.372 -8.149 1.00 11.69 C +ANISOU 342 CD LYS A 42 971 2104 1365 94 40 313 C +ATOM 343 CE LYS A 42 -12.753 -23.238 -7.804 1.00 14.03 C +ANISOU 343 CE LYS A 42 1246 2360 1725 -225 -303 723 C +ATOM 344 NZ LYS A 42 -11.454 -23.762 -7.410 1.00 15.42 N +ANISOU 344 NZ LYS A 42 1085 3180 1596 -19 36 555 N +ATOM 345 C LYS A 42 -16.553 -26.839 -10.415 1.00 9.75 C +ANISOU 345 C LYS A 42 755 1985 964 354 116 327 C +ATOM 346 O LYS A 42 -16.151 -27.817 -9.787 1.00 11.11 O +ANISOU 346 O LYS A 42 1021 2076 1123 400 -109 383 O +ATOM 347 N PHE A 43 -17.626 -26.877 -11.213 1.00 9.78 N +ANISOU 347 N PHE A 43 853 1831 1033 284 53 194 N +ATOM 348 CA PHE A 43 -18.421 -28.085 -11.347 1.00 9.27 C +ANISOU 348 CA PHE A 43 1018 1747 756 412 -186 272 C +ATOM 349 CB PHE A 43 -19.926 -27.794 -11.270 1.00 9.98 C +ANISOU 349 CB PHE A 43 975 1928 890 252 30 196 C +ATOM 350 CG PHE A 43 -20.405 -27.311 -9.935 1.00 8.95 C +ANISOU 350 CG PHE A 43 829 1778 794 171 -90 279 C +ATOM 351 CD1 PHE A 43 -20.297 -25.984 -9.586 1.00 9.93 C +ANISOU 351 CD1 PHE A 43 779 1760 1233 163 -117 128 C +ATOM 352 CD2 PHE A 43 -20.935 -28.197 -9.017 1.00 9.84 C +ANISOU 352 CD2 PHE A 43 1123 1859 756 -142 -76 207 C +ATOM 353 CE1 PHE A 43 -20.772 -25.540 -8.372 1.00 11.31 C +ANISOU 353 CE1 PHE A 43 1064 2068 1164 362 -228 64 C +ATOM 354 CE2 PHE A 43 -21.414 -27.748 -7.810 1.00 10.98 C +ANISOU 354 CE2 PHE A 43 954 2431 786 -147 -13 184 C +ATOM 355 CZ PHE A 43 -21.314 -26.422 -7.483 1.00 10.46 C +ANISOU 355 CZ PHE A 43 690 2469 813 201 -186 -97 C +ATOM 356 C PHE A 43 -18.139 -28.728 -12.701 1.00 10.18 C +ANISOU 356 C PHE A 43 1059 1931 878 335 -66 48 C +ATOM 357 O PHE A 43 -18.781 -28.423 -13.703 1.00 10.91 O +ANISOU 357 O PHE A 43 1110 2228 808 315 -48 203 O +ATOM 358 N ASP A 44 -17.217 -29.681 -12.744 1.00 12.69 N +ANISOU 358 N ASP A 44 1298 2472 1050 759 -112 -179 N +ATOM 359 CA ASP A 44 -17.009 -30.438 -13.965 1.00 13.39 C +ANISOU 359 CA ASP A 44 1139 2712 1238 502 40 -426 C +ATOM 360 CB ASP A 44 -15.889 -31.462 -13.767 1.00 17.75 C +ANISOU 360 CB ASP A 44 1803 3129 1813 1099 -98 -695 C +ATOM 361 CG ASP A 44 -14.502 -30.843 -13.725 1.00 29.83 C +ANISOU 361 CG ASP A 44 1641 4691 5000 893 -256 -973 C +ATOM 362 OD1 ASP A 44 -14.363 -29.654 -14.095 1.00 27.11 O +ANISOU 362 OD1 ASP A 44 1472 5621 3206 253 343 81 O +ATOM 363 OD2 ASP A 44 -13.557 -31.541 -13.321 1.00 37.93 O +ANISOU 363 OD2 ASP A 44 2406 5310 6696 1515 -394 -404 O +ATOM 364 C ASP A 44 -18.283 -31.116 -14.468 1.00 11.77 C +ANISOU 364 C ASP A 44 1289 2223 958 452 153 -302 C +ATOM 365 O ASP A 44 -18.469 -31.281 -15.662 1.00 14.04 O +ANISOU 365 O ASP A 44 1385 3050 902 501 40 -160 O +ATOM 366 N ARG A 45 -19.177 -31.453 -13.554 1.00 11.64 N +ANISOU 366 N ARG A 45 1353 1936 1134 739 251 29 N +ATOM 367 CA ARG A 45 -20.441 -32.098 -13.834 1.00 13.15 C +ANISOU 367 CA ARG A 45 1522 1996 1478 494 186 89 C +ATOM 368 CB ARG A 45 -20.986 -32.500 -12.419 1.00 15.45 C +ANISOU 368 CB ARG A 45 1911 2278 1682 -73 -21 571 C +ATOM 369 CG ARG A 45 -22.262 -33.307 -12.302 1.00 15.46 C +ANISOU 369 CG ARG A 45 1723 2484 1666 46 109 -159 C +ATOM 370 CD ARG A 45 -22.404 -33.926 -10.919 1.00 23.16 C +ANISOU 370 CD ARG A 45 1841 5843 1114 -807 -43 182 C +ATOM 371 NE ARG A 45 -23.745 -34.449 -10.705 1.00 16.95 N +ANISOU 371 NE ARG A 45 2071 2933 1437 -346 154 -270 N +ATOM 372 CZ ARG A 45 -24.286 -34.611 -9.514 1.00 15.30 C +ANISOU 372 CZ ARG A 45 2689 1556 1570 -6 488 -281 C +ATOM 373 NH1 ARG A 45 -23.588 -34.408 -8.424 1.00 16.10 N +ANISOU 373 NH1 ARG A 45 1982 1945 2189 354 50 -5 N +ATOM 374 NH2 ARG A 45 -25.569 -34.973 -9.412 1.00 17.36 N +ANISOU 374 NH2 ARG A 45 2548 1980 2067 287 563 -329 N +ATOM 375 C ARG A 45 -21.439 -31.205 -14.580 1.00 10.95 C +ANISOU 375 C ARG A 45 1168 1664 1327 200 350 93 C +ATOM 376 O ARG A 45 -22.307 -31.706 -15.301 1.00 13.79 O +ANISOU 376 O ARG A 45 1436 1750 2053 136 -63 -35 O +ATOM 377 N PHE A 46 -21.359 -29.896 -14.337 1.00 9.56 N +ANISOU 377 N PHE A 46 1012 1657 963 297 95 88 N +ATOM 378 CA PHE A 46 -22.380 -28.964 -14.785 1.00 9.20 C +ANISOU 378 CA PHE A 46 1012 1849 635 279 61 145 C +ATOM 379 CB PHE A 46 -23.114 -28.365 -13.571 1.00 9.35 C +ANISOU 379 CB PHE A 46 956 1737 860 257 97 -18 C +ATOM 380 CG PHE A 46 -23.751 -29.407 -12.679 1.00 9.89 C +ANISOU 380 CG PHE A 46 750 2003 1004 182 44 212 C +ATOM 381 CD1 PHE A 46 -24.628 -30.348 -13.193 1.00 10.67 C +ANISOU 381 CD1 PHE A 46 934 2006 1113 181 32 357 C +ATOM 382 CD2 PHE A 46 -23.449 -29.463 -11.327 1.00 11.52 C +ANISOU 382 CD2 PHE A 46 800 2567 1010 192 36 277 C +ATOM 383 CE1 PHE A 46 -25.204 -31.301 -12.362 1.00 13.78 C +ANISOU 383 CE1 PHE A 46 847 2584 1806 -217 55 621 C +ATOM 384 CE2 PHE A 46 -24.008 -30.427 -10.512 1.00 13.91 C +ANISOU 384 CE2 PHE A 46 1073 3110 1104 465 346 737 C +ATOM 385 CZ PHE A 46 -24.883 -31.341 -11.027 1.00 14.85 C +ANISOU 385 CZ PHE A 46 1228 2684 1729 165 346 1177 C +ATOM 386 C PHE A 46 -21.900 -27.817 -15.663 1.00 8.52 C +ANISOU 386 C PHE A 46 918 1758 562 166 -19 -60 C +ATOM 387 O PHE A 46 -22.734 -27.090 -16.194 1.00 9.22 O +ANISOU 387 O PHE A 46 1014 1788 703 224 -62 61 O +ATOM 388 N LYS A 47 -20.583 -27.659 -15.833 1.00 9.14 N +ANISOU 388 N LYS A 47 943 1776 753 121 111 68 N +ATOM 389 CA LYS A 47 -20.059 -26.467 -16.488 1.00 10.07 C +ANISOU 389 CA LYS A 47 1333 1686 805 49 219 69 C +ATOM 390 CB LYS A 47 -18.577 -26.299 -16.205 1.00 12.33 C +ANISOU 390 CB LYS A 47 1381 2544 761 -258 288 119 C +ATOM 391 CG LYS A 47 -17.690 -27.342 -16.829 1.00 13.80 C +ANISOU 391 CG LYS A 47 1410 2971 863 35 187 278 C +ATOM 392 CD LYS A 47 -16.228 -27.146 -16.382 1.00 17.90 C +ANISOU 392 CD LYS A 47 1447 3440 1914 -242 87 449 C +ATOM 393 CE LYS A 47 -15.294 -28.135 -17.031 1.00 33.27 C +ANISOU 393 CE LYS A 47 5255 4666 2718 1886 1011 565 C +ATOM 394 NZ LYS A 47 -13.910 -28.068 -16.466 1.00 68.86 N +ANISOU 394 NZ LYS A 47 4788 14399 6975 6081 -1193 1994 N +ATOM 395 C LYS A 47 -20.349 -26.385 -17.983 1.00 10.06 C +ANISOU 395 C LYS A 47 1188 1813 819 278 291 82 C +ATOM 396 O LYS A 47 -20.146 -25.346 -18.593 1.00 12.92 O +ANISOU 396 O LYS A 47 1850 2025 1035 130 306 323 O +ATOM 397 N HIS A 48 -20.845 -27.472 -18.569 1.00 10.29 N +ANISOU 397 N HIS A 48 1223 1953 735 409 9 15 N +ATOM 398 CA HIS A 48 -21.322 -27.442 -19.942 1.00 12.15 C +ANISOU 398 CA HIS A 48 1546 2304 768 556 -107 12 C +ATOM 399 CB HIS A 48 -21.495 -28.860 -20.514 1.00 14.28 C +ANISOU 399 CB HIS A 48 2277 2320 829 890 -140 -230 C +ATOM 400 CG HIS A 48 -22.553 -29.651 -19.810 1.00 14.10 C +ANISOU 400 CG HIS A 48 2091 2015 1250 645 -462 -342 C +ATOM 401 ND1 HIS A 48 -22.369 -30.121 -18.525 1.00 14.09 N +ANISOU 401 ND1 HIS A 48 1960 2101 1295 503 -344 -191 N +ATOM 402 CE1 HIS A 48 -23.494 -30.753 -18.204 1.00 14.67 C +ANISOU 402 CE1 HIS A 48 1987 2105 1481 412 -371 -347 C +ATOM 403 NE2 HIS A 48 -24.369 -30.700 -19.195 1.00 16.26 N +ANISOU 403 NE2 HIS A 48 2741 2039 1398 398 -617 -229 N +ATOM 404 CD2 HIS A 48 -23.781 -30.019 -20.230 1.00 15.21 C +ANISOU 404 CD2 HIS A 48 2445 2107 1227 444 -787 -230 C +ATOM 405 C HIS A 48 -22.636 -26.680 -20.107 1.00 10.70 C +ANISOU 405 C HIS A 48 1396 1948 722 366 -122 60 C +ATOM 406 O HIS A 48 -22.993 -26.322 -21.223 1.00 12.08 O +ANISOU 406 O HIS A 48 1555 2374 662 572 -139 14 O +ATOM 407 N LEU A 49 -23.400 -26.486 -19.025 1.00 9.75 N +ANISOU 407 N LEU A 49 1306 1577 822 389 -100 7 N +ATOM 408 CA LEU A 49 -24.715 -25.882 -19.144 1.00 9.68 C +ANISOU 408 CA LEU A 49 1280 1479 920 370 -153 56 C +ATOM 409 CB LEU A 49 -25.503 -26.061 -17.852 1.00 10.26 C +ANISOU 409 CB LEU A 49 1125 1755 1017 434 -103 118 C +ATOM 410 CG LEU A 49 -25.783 -27.517 -17.429 1.00 11.33 C +ANISOU 410 CG LEU A 49 1302 1953 1049 352 -195 371 C +ATOM 411 CD1 LEU A 49 -26.250 -27.596 -16.002 1.00 12.46 C +ANISOU 411 CD1 LEU A 49 1141 2354 1238 539 117 497 C +ATOM 412 CD2 LEU A 49 -26.814 -28.145 -18.331 1.00 12.86 C +ANISOU 412 CD2 LEU A 49 1549 1736 1601 119 -367 251 C +ATOM 413 C LEU A 49 -24.564 -24.401 -19.495 1.00 9.29 C +ANISOU 413 C LEU A 49 1349 1423 756 250 -173 -81 C +ATOM 414 O LEU A 49 -23.814 -23.673 -18.842 1.00 11.81 O +ANISOU 414 O LEU A 49 1757 1811 920 -96 -475 56 O +ATOM 415 N LYS A 50 -25.271 -23.951 -20.539 1.00 8.85 N +ANISOU 415 N LYS A 50 1119 1534 710 75 -140 -41 N +ATOM 416 CA LYS A 50 -25.028 -22.641 -21.119 1.00 9.36 C +ANISOU 416 CA LYS A 50 1186 1538 831 -69 -26 -46 C +ATOM 417 CB LYS A 50 -25.097 -22.717 -22.663 1.00 9.22 C +ANISOU 417 CB LYS A 50 1322 1371 811 3 3 128 C +ATOM 418 CG LYS A 50 -23.938 -23.535 -23.279 1.00 10.81 C +ANISOU 418 CG LYS A 50 1323 1890 893 209 -97 -16 C +ATOM 419 CD LYS A 50 -24.022 -23.546 -24.807 1.00 9.80 C +ANISOU 419 CD LYS A 50 1385 1453 884 72 -146 -45 C +ATOM 420 CE LYS A 50 -22.964 -24.368 -25.472 1.00 11.35 C +ANISOU 420 CE LYS A 50 1665 1816 832 364 -70 13 C +ATOM 421 NZ LYS A 50 -21.637 -23.796 -25.285 1.00 15.31 N +ANISOU 421 NZ LYS A 50 1418 3188 1213 142 193 -36 N +ATOM 422 C LYS A 50 -26.002 -21.550 -20.705 1.00 10.07 C +ANISOU 422 C LYS A 50 1571 1427 828 -54 -212 -194 C +ATOM 423 O LYS A 50 -25.666 -20.373 -20.773 1.00 12.14 O +ANISOU 423 O LYS A 50 1682 1406 1525 -57 -347 -105 O +ATOM 424 N THR A 51 -27.218 -21.951 -20.338 1.00 9.07 N +ANISOU 424 N THR A 51 1422 1175 849 233 -12 103 N +ATOM 425 CA THR A 51 -28.337 -21.046 -20.147 1.00 10.07 C +ANISOU 425 CA THR A 51 1711 1334 780 508 -77 34 C +ATOM 426 CB THR A 51 -29.278 -21.053 -21.346 1.00 10.86 C +ANISOU 426 CB THR A 51 1859 1574 694 429 -38 6 C +ATOM 427 OG1 THR A 51 -29.831 -22.353 -21.471 1.00 10.15 O +ANISOU 427 OG1 THR A 51 1448 1698 711 251 -82 17 O +ATOM 428 CG2 THR A 51 -28.596 -20.619 -22.644 1.00 11.71 C +ANISOU 428 CG2 THR A 51 1839 1729 882 587 93 202 C +ATOM 429 C THR A 51 -29.125 -21.454 -18.909 1.00 8.95 C +ANISOU 429 C THR A 51 1370 1444 588 355 -290 -88 C +ATOM 430 O THR A 51 -29.053 -22.596 -18.455 1.00 9.42 O +ANISOU 430 O THR A 51 1369 1509 702 320 -64 49 O +ATOM 431 N GLU A 52 -29.931 -20.522 -18.400 1.00 10.29 N +ANISOU 431 N GLU A 52 1599 1619 692 384 -121 -199 N +ATOM 432 CA GLU A 52 -30.841 -20.839 -17.312 1.00 11.16 C +ANISOU 432 CA GLU A 52 1783 1794 663 457 -11 -109 C +ATOM 433 CB GLU A 52 -31.569 -19.588 -16.861 1.00 12.53 C +ANISOU 433 CB GLU A 52 1970 1919 872 571 -177 -333 C +ATOM 434 CG GLU A 52 -32.587 -19.831 -15.776 1.00 15.14 C +ANISOU 434 CG GLU A 52 2360 2364 1027 772 -89 308 C +ATOM 435 CD GLU A 52 -33.126 -18.570 -15.129 1.00 19.69 C +ANISOU 435 CD GLU A 52 2705 2892 1884 1550 -2 89 C +ATOM 436 OE1 GLU A 52 -32.793 -17.443 -15.569 1.00 23.55 O +ANISOU 436 OE1 GLU A 52 4091 2753 2103 1656 456 -499 O +ATOM 437 OE2 GLU A 52 -33.853 -18.727 -14.131 1.00 25.20 O +ANISOU 437 OE2 GLU A 52 3554 4410 1613 1984 365 -153 O +ATOM 438 C GLU A 52 -31.807 -21.947 -17.725 1.00 10.42 C +ANISOU 438 C GLU A 52 1492 1837 629 513 -36 53 C +ATOM 439 O GLU A 52 -32.109 -22.824 -16.923 1.00 10.77 O +ANISOU 439 O GLU A 52 1448 1929 714 466 68 163 O +ATOM 440 N ALA A 53 -32.290 -21.929 -18.969 1.00 10.77 N +ANISOU 440 N ALA A 53 1609 1846 636 473 -94 42 N +ATOM 441 CA ALA A 53 -33.192 -22.977 -19.418 1.00 10.65 C +ANISOU 441 CA ALA A 53 1274 2119 654 364 -89 231 C +ATOM 442 CB ALA A 53 -33.662 -22.700 -20.838 1.00 13.60 C +ANISOU 442 CB ALA A 53 1715 2700 751 300 -327 278 C +ATOM 443 C ALA A 53 -32.557 -24.362 -19.326 1.00 10.10 C +ANISOU 443 C ALA A 53 1186 2086 566 227 -224 70 C +ATOM 444 O ALA A 53 -33.185 -25.320 -18.872 1.00 11.47 O +ANISOU 444 O ALA A 53 1265 2363 731 22 -163 144 O +ATOM 445 N GLU A 54 -31.296 -24.475 -19.747 1.00 9.57 N +ANISOU 445 N GLU A 54 1357 1734 544 273 -42 77 N +ATOM 446 CA GLU A 54 -30.622 -25.758 -19.637 1.00 9.09 C +ANISOU 446 CA GLU A 54 1325 1548 580 25 -112 63 C +ATOM 447 CB GLU A 54 -29.260 -25.724 -20.345 1.00 9.57 C +ANISOU 447 CB GLU A 54 1412 1565 658 250 -42 -43 C +ATOM 448 CG GLU A 54 -29.382 -25.666 -21.841 1.00 10.28 C +ANISOU 448 CG GLU A 54 1669 1588 647 35 -108 -125 C +ATOM 449 CD GLU A 54 -28.073 -25.681 -22.587 1.00 11.11 C +ANISOU 449 CD GLU A 54 1853 1424 943 202 77 146 C +ATOM 450 OE1 GLU A 54 -26.996 -25.692 -21.948 1.00 14.89 O +ANISOU 450 OE1 GLU A 54 1689 2783 1186 -393 47 -500 O +ATOM 451 OE2 GLU A 54 -28.147 -25.739 -23.837 1.00 12.55 O +ANISOU 451 OE2 GLU A 54 1975 1871 921 532 365 393 O +ATOM 452 C GLU A 54 -30.442 -26.173 -18.183 1.00 9.19 C +ANISOU 452 C GLU A 54 1349 1563 580 159 -108 44 C +ATOM 453 O GLU A 54 -30.544 -27.351 -17.840 1.00 10.26 O +ANISOU 453 O GLU A 54 1671 1505 722 -95 -177 38 O +ATOM 454 N MET A 55 -30.122 -25.206 -17.319 1.00 8.82 N +ANISOU 454 N MET A 55 1112 1632 606 145 -19 5 N +ATOM 455 CA MET A 55 -29.958 -25.507 -15.909 1.00 8.63 C +ANISOU 455 CA MET A 55 993 1666 618 144 30 74 C +ATOM 456 CB MET A 55 -29.463 -24.287 -15.167 1.00 8.95 C +ANISOU 456 CB MET A 55 1179 1621 599 209 51 17 C +ATOM 457 CG MET A 55 -28.044 -23.885 -15.580 1.00 9.24 C +ANISOU 457 CG MET A 55 1160 1657 692 180 -82 -30 C +ATOM 458 SD MET A 55 -27.581 -22.316 -14.860 1.00 12.40 S +ANISOU 458 SD MET A 55 1575 2022 1115 -142 22 -121 S +ATOM 459 CE MET A 55 -25.978 -22.121 -15.636 1.00 18.76 C +ANISOU 459 CE MET A 55 1907 3439 1781 -890 518 -744 C +ATOM 460 C MET A 55 -31.263 -26.012 -15.304 1.00 8.92 C +ANISOU 460 C MET A 55 1021 1762 605 -8 -83 48 C +ATOM 461 O MET A 55 -31.255 -26.983 -14.551 1.00 10.04 O +ANISOU 461 O MET A 55 1270 1914 631 -136 38 201 O +ATOM 462 N LYS A 56 -32.378 -25.338 -15.611 1.00 10.29 N +ANISOU 462 N LYS A 56 947 2294 669 162 17 41 N +ATOM 463 CA LYS A 56 -33.680 -25.742 -15.116 1.00 11.12 C +ANISOU 463 CA LYS A 56 1103 2489 631 60 65 15 C +ATOM 464 CB LYS A 56 -34.746 -24.733 -15.526 1.00 14.06 C +ANISOU 464 CB LYS A 56 915 2784 1644 82 119 288 C +ATOM 465 CG LYS A 56 -34.745 -23.410 -14.780 1.00 19.19 C +ANISOU 465 CG LYS A 56 2032 3585 1674 425 -187 -77 C +ATOM 466 CD LYS A 56 -35.908 -22.524 -15.190 1.00 27.78 C +ANISOU 466 CD LYS A 56 2694 4574 3286 1266 -503 -350 C +ATOM 467 CE LYS A 56 -35.934 -21.225 -14.450 1.00 30.18 C +ANISOU 467 CE LYS A 56 3003 4732 3731 547 396 -727 C +ATOM 468 NZ LYS A 56 -37.007 -20.342 -14.959 1.00 47.84 N +ANISOU 468 NZ LYS A 56 6206 4362 7608 2044 -2143 -2212 N +ATOM 469 C LYS A 56 -34.097 -27.135 -15.579 1.00 12.80 C +ANISOU 469 C LYS A 56 1107 2662 1093 -360 -208 176 C +ATOM 470 O LYS A 56 -34.762 -27.853 -14.843 1.00 15.81 O +ANISOU 470 O LYS A 56 1321 3406 1281 -746 -106 412 O +ATOM 471 N ALA A 57 -33.684 -27.514 -16.792 1.00 11.81 N +ANISOU 471 N ALA A 57 1134 2344 1011 -214 -370 197 N +ATOM 472 CA ALA A 57 -34.044 -28.787 -17.390 1.00 13.05 C +ANISOU 472 CA ALA A 57 1422 2432 1102 -426 -529 122 C +ATOM 473 CB ALA A 57 -33.985 -28.677 -18.907 1.00 14.67 C +ANISOU 473 CB ALA A 57 2071 2417 1085 -440 -543 -30 C +ATOM 474 C ALA A 57 -33.162 -29.948 -16.933 1.00 12.60 C +ANISOU 474 C ALA A 57 1620 2382 785 -420 -460 -19 C +ATOM 475 O ALA A 57 -33.462 -31.100 -17.218 1.00 15.85 O +ANISOU 475 O ALA A 57 1966 2453 1604 -702 -776 -98 O +ATOM 476 N SER A 58 -32.072 -29.658 -16.227 1.00 10.64 N +ANISOU 476 N SER A 58 1279 2016 746 -331 -221 -13 N +ATOM 477 CA SER A 58 -31.129 -30.704 -15.847 1.00 10.92 C +ANISOU 477 CA SER A 58 1478 1997 673 -235 -248 -59 C +ATOM 478 CB SER A 58 -29.750 -30.120 -15.559 1.00 9.85 C +ANISOU 478 CB SER A 58 1356 1884 502 -206 15 -55 C +ATOM 479 OG SER A 58 -28.905 -31.108 -14.983 1.00 10.63 O +ANISOU 479 OG SER A 58 1555 1798 685 -77 -44 52 O +ATOM 480 C SER A 58 -31.620 -31.460 -14.612 1.00 10.48 C +ANISOU 480 C SER A 58 1441 1796 744 -173 -124 -152 C +ATOM 481 O SER A 58 -31.604 -30.940 -13.505 1.00 9.67 O +ANISOU 481 O SER A 58 1324 1678 673 -128 -87 -65 O +ATOM 482 N GLU A 59 -32.035 -32.709 -14.801 1.00 11.03 N +ANISOU 482 N GLU A 59 1676 1717 798 -296 -176 -192 N +ATOM 483 CA GLU A 59 -32.418 -33.545 -13.684 1.00 11.18 C +ANISOU 483 CA GLU A 59 1365 1936 947 -500 -144 -193 C +ATOM 484 CB GLU A 59 -32.986 -34.869 -14.204 1.00 14.80 C +ANISOU 484 CB GLU A 59 2495 1891 1238 -691 -402 -156 C +ATOM 485 CG GLU A 59 -34.350 -34.757 -14.853 1.00 25.34 C +ANISOU 485 CG GLU A 59 3521 3241 2868 -845 -1855 -759 C +ATOM 486 CD GLU A 59 -35.416 -34.119 -13.990 1.00 40.33 C +ANISOU 486 CD GLU A 59 7413 4451 3458 939 -811 -1972 C +ATOM 487 OE1 GLU A 59 -35.439 -34.402 -12.771 1.00 29.98 O +ANISOU 487 OE1 GLU A 59 2213 5639 3538 -1463 181 -1262 O +ATOM 488 OE2 GLU A 59 -36.234 -33.340 -14.532 1.00 79.43 O +ANISOU 488 OE2 GLU A 59 5777 18125 6280 4093 -873 2902 O +ATOM 489 C GLU A 59 -31.239 -33.786 -12.747 1.00 9.24 C +ANISOU 489 C GLU A 59 1268 1425 819 -299 1 -312 C +ATOM 490 O GLU A 59 -31.405 -33.858 -11.540 1.00 9.70 O +ANISOU 490 O GLU A 59 1333 1525 828 -303 28 -153 O +ATOM 491 N ASP A 60 -30.039 -33.920 -13.308 1.00 9.99 N +ANISOU 491 N ASP A 60 1379 1655 761 -272 21 -452 N +ATOM 492 CA ASP A 60 -28.862 -34.161 -12.500 1.00 9.87 C +ANISOU 492 CA ASP A 60 1365 1309 1075 -157 60 -389 C +ATOM 493 CB ASP A 60 -27.698 -34.517 -13.427 1.00 12.50 C +ANISOU 493 CB ASP A 60 1615 1686 1449 -10 246 -673 C +ATOM 494 CG ASP A 60 -26.539 -35.034 -12.714 1.00 15.32 C +ANISOU 494 CG ASP A 60 1968 2423 1431 -174 -131 -456 C +ATOM 495 OD1 ASP A 60 -26.737 -35.920 -11.868 1.00 18.22 O +ANISOU 495 OD1 ASP A 60 2367 2430 2126 210 239 -107 O +ATOM 496 OD2 ASP A 60 -25.410 -34.560 -12.998 1.00 17.76 O +ANISOU 496 OD2 ASP A 60 1891 2725 2133 -62 28 -538 O +ATOM 497 C ASP A 60 -28.536 -32.962 -11.609 1.00 7.96 C +ANISOU 497 C ASP A 60 1082 1187 756 -64 215 -230 C +ATOM 498 O ASP A 60 -28.181 -33.128 -10.438 1.00 8.12 O +ANISOU 498 O ASP A 60 1138 1111 836 36 49 -138 O +ATOM 499 N LEU A 61 -28.636 -31.742 -12.141 1.00 8.35 N +ANISOU 499 N LEU A 61 1153 1241 777 -146 61 -172 N +ATOM 500 CA LEU A 61 -28.434 -30.566 -11.317 1.00 6.72 C +ANISOU 500 CA LEU A 61 796 1132 624 -50 28 -90 C +ATOM 501 CB LEU A 61 -28.460 -29.281 -12.151 1.00 7.82 C +ANISOU 501 CB LEU A 61 1039 1240 693 -132 6 15 C +ATOM 502 CG LEU A 61 -28.310 -27.987 -11.371 1.00 7.40 C +ANISOU 502 CG LEU A 61 945 1153 714 -50 -20 64 C +ATOM 503 CD1 LEU A 61 -27.009 -27.946 -10.581 1.00 9.02 C +ANISOU 503 CD1 LEU A 61 976 1248 1204 -139 -102 23 C +ATOM 504 CD2 LEU A 61 -28.372 -26.815 -12.280 1.00 10.26 C +ANISOU 504 CD2 LEU A 61 1382 1473 1042 -347 -235 373 C +ATOM 505 C LEU A 61 -29.480 -30.524 -10.207 1.00 6.39 C +ANISOU 505 C LEU A 61 823 1024 580 11 -40 -37 C +ATOM 506 O LEU A 61 -29.148 -30.268 -9.059 1.00 6.28 O +ANISOU 506 O LEU A 61 905 952 531 51 -14 5 O +ATOM 507 N LYS A 62 -30.749 -30.791 -10.542 1.00 7.09 N +ANISOU 507 N LYS A 62 821 1270 604 -51 -33 -18 N +ATOM 508 CA LYS A 62 -31.804 -30.770 -9.550 1.00 6.97 C +ANISOU 508 CA LYS A 62 785 1152 713 23 15 77 C +ATOM 509 CB LYS A 62 -33.130 -31.185 -10.178 1.00 8.69 C +ANISOU 509 CB LYS A 62 842 1590 871 42 -165 62 C +ATOM 510 CG LYS A 62 -34.293 -31.138 -9.234 1.00 10.07 C +ANISOU 510 CG LYS A 62 998 1419 1408 -94 157 -165 C +ATOM 511 CD LYS A 62 -35.632 -31.298 -9.934 1.00 21.10 C +ANISOU 511 CD LYS A 62 928 5028 2059 -262 277 10 C +ATOM 512 CE LYS A 62 -36.121 -32.677 -10.052 1.00 34.31 C +ANISOU 512 CE LYS A 62 3349 5086 4602 -484 -1022 598 C +ATOM 513 NZ LYS A 62 -37.531 -32.663 -10.522 1.00 46.52 N +ANISOU 513 NZ LYS A 62 4578 9457 3642 -4139 -2068 -1568 N +ATOM 514 C LYS A 62 -31.473 -31.678 -8.370 1.00 6.11 C +ANISOU 514 C LYS A 62 673 1002 647 -105 -2 -30 C +ATOM 515 O LYS A 62 -31.565 -31.289 -7.200 1.00 6.28 O +ANISOU 515 O LYS A 62 745 943 698 -9 44 -51 O +ATOM 516 N LYS A 63 -31.075 -32.913 -8.682 1.00 6.55 N +ANISOU 516 N LYS A 63 893 1038 556 -96 22 -62 N +ATOM 517 CA LYS A 63 -30.673 -33.863 -7.666 1.00 7.15 C +ANISOU 517 CA LYS A 63 912 1085 718 -3 -35 -58 C +ATOM 518 CB LYS A 63 -30.320 -35.174 -8.323 1.00 9.90 C +ANISOU 518 CB LYS A 63 1826 983 952 194 -377 -34 C +ATOM 519 CG LYS A 63 -31.558 -35.926 -8.817 1.00 17.93 C +ANISOU 519 CG LYS A 63 2293 2001 2517 -153 -566 -423 C +ATOM 520 CD LYS A 63 -31.173 -37.144 -9.654 1.00 32.20 C +ANISOU 520 CD LYS A 63 4985 2484 4764 390 -651 -1509 C +ATOM 521 CE LYS A 63 -32.358 -37.905 -10.190 1.00 51.35 C +ANISOU 521 CE LYS A 63 5299 6651 7561 -1143 -2254 -225 C +ATOM 522 NZ LYS A 63 -32.969 -38.747 -9.136 1.00 80.85 N +ANISOU 522 NZ LYS A 63 8304 13090 9325 -1567 -330 1572 N +ATOM 523 C LYS A 63 -29.536 -33.362 -6.783 1.00 6.06 C +ANISOU 523 C LYS A 63 857 739 704 4 34 -60 C +ATOM 524 O LYS A 63 -29.573 -33.505 -5.560 1.00 6.15 O +ANISOU 524 O LYS A 63 785 840 711 39 23 10 O +ATOM 525 N HIS A 64 -28.514 -32.771 -7.404 1.00 5.82 N +ANISOU 525 N HIS A 64 748 852 613 -18 -35 -83 N +ATOM 526 CA HIS A 64 -27.429 -32.208 -6.619 1.00 5.18 C +ANISOU 526 CA HIS A 64 755 629 586 86 -96 31 C +ATOM 527 CB HIS A 64 -26.292 -31.676 -7.524 1.00 6.16 C +ANISOU 527 CB HIS A 64 702 910 727 175 90 -7 C +ATOM 528 CG HIS A 64 -25.155 -31.119 -6.699 1.00 6.34 C +ANISOU 528 CG HIS A 64 618 1084 706 99 149 -13 C +ATOM 529 ND1 HIS A 64 -24.435 -31.923 -5.842 1.00 7.66 N +ANISOU 529 ND1 HIS A 64 733 1360 818 282 -114 -128 N +ATOM 530 CE1 HIS A 64 -23.529 -31.163 -5.236 1.00 8.51 C +ANISOU 530 CE1 HIS A 64 703 1457 1072 217 -41 -143 C +ATOM 531 NE2 HIS A 64 -23.609 -29.905 -5.646 1.00 8.21 N +ANISOU 531 NE2 HIS A 64 693 1491 935 67 159 -148 N +ATOM 532 CD2 HIS A 64 -24.642 -29.858 -6.585 1.00 7.25 C +ANISOU 532 CD2 HIS A 64 831 1146 776 119 167 -64 C +ATOM 533 C HIS A 64 -27.935 -31.123 -5.664 1.00 5.10 C +ANISOU 533 C HIS A 64 580 721 634 86 -23 -7 C +ATOM 534 O HIS A 64 -27.516 -31.066 -4.502 1.00 5.53 O +ANISOU 534 O HIS A 64 588 894 618 94 -35 15 O +ATOM 535 N THR A 65 -28.827 -30.256 -6.142 1.00 5.10 N +ANISOU 535 N THR A 65 631 729 579 110 -41 -21 N +ATOM 536 CA THR A 65 -29.305 -29.190 -5.271 1.00 5.16 C +ANISOU 536 CA THR A 65 692 756 513 39 -31 -60 C +ATOM 537 CB THR A 65 -30.137 -28.130 -6.003 1.00 5.63 C +ANISOU 537 CB THR A 65 684 821 635 96 -13 20 C +ATOM 538 OG1 THR A 65 -31.462 -28.590 -6.274 1.00 6.40 O +ANISOU 538 OG1 THR A 65 724 879 827 110 -72 76 O +ATOM 539 CG2 THR A 65 -29.442 -27.617 -7.231 1.00 6.65 C +ANISOU 539 CG2 THR A 65 906 821 798 33 108 100 C +ATOM 540 C THR A 65 -30.065 -29.737 -4.063 1.00 5.36 C +ANISOU 540 C THR A 65 663 786 588 98 8 -13 C +ATOM 541 O THR A 65 -30.020 -29.139 -2.989 1.00 5.47 O +ANISOU 541 O THR A 65 693 783 601 65 110 -40 O +ATOM 542 N VAL A 66 -30.769 -30.859 -4.242 1.00 5.13 N +ANISOU 542 N VAL A 66 567 833 548 63 40 -5 N +ATOM 543 CA VAL A 66 -31.434 -31.517 -3.127 1.00 5.07 C +ANISOU 543 CA VAL A 66 758 645 523 78 30 -41 C +ATOM 544 CB VAL A 66 -32.354 -32.644 -3.614 1.00 5.53 C +ANISOU 544 CB VAL A 66 715 633 754 25 73 -16 C +ATOM 545 CG1 VAL A 66 -32.906 -33.447 -2.448 1.00 6.14 C +ANISOU 545 CG1 VAL A 66 744 783 806 -156 35 40 C +ATOM 546 CG2 VAL A 66 -33.497 -32.065 -4.471 1.00 6.63 C +ANISOU 546 CG2 VAL A 66 704 943 870 35 38 68 C +ATOM 547 C VAL A 66 -30.413 -32.000 -2.112 1.00 4.93 C +ANISOU 547 C VAL A 66 630 659 585 48 70 71 C +ATOM 548 O VAL A 66 -30.583 -31.828 -0.902 1.00 5.43 O +ANISOU 548 O VAL A 66 706 797 560 -25 82 97 O +ATOM 549 N THR A 67 -29.335 -32.627 -2.594 1.00 5.23 N +ANISOU 549 N THR A 67 531 776 681 62 -70 -63 N +ATOM 550 CA THR A 67 -28.257 -33.053 -1.710 1.00 5.46 C +ANISOU 550 CA THR A 67 643 765 666 187 -64 -56 C +ATOM 551 CB THR A 67 -27.196 -33.788 -2.525 1.00 5.82 C +ANISOU 551 CB THR A 67 722 660 830 194 -21 -155 C +ATOM 552 OG1 THR A 67 -27.817 -34.934 -3.075 1.00 7.33 O +ANISOU 552 OG1 THR A 67 1031 746 1009 108 -107 -147 O +ATOM 553 CG2 THR A 67 -25.996 -34.147 -1.722 1.00 8.48 C +ANISOU 553 CG2 THR A 67 911 1324 985 396 -254 -365 C +ATOM 554 C THR A 67 -27.667 -31.888 -0.918 1.00 4.98 C +ANISOU 554 C THR A 67 642 667 585 210 -17 3 C +ATOM 555 O THR A 67 -27.457 -31.976 0.306 1.00 5.65 O +ANISOU 555 O THR A 67 760 787 597 147 -47 -5 O +ATOM 556 N VAL A 68 -27.403 -30.779 -1.624 1.00 4.84 N +ANISOU 556 N VAL A 68 590 723 527 67 -89 20 N +ATOM 557 CA VAL A 68 -26.827 -29.593 -1.003 1.00 4.69 C +ANISOU 557 CA VAL A 68 400 796 588 90 -74 29 C +ATOM 558 CB VAL A 68 -26.504 -28.554 -2.081 1.00 5.62 C +ANISOU 558 CB VAL A 68 560 866 710 -13 -79 123 C +ATOM 559 CG1 VAL A 68 -26.092 -27.202 -1.460 1.00 5.99 C +ANISOU 559 CG1 VAL A 68 721 794 761 14 31 93 C +ATOM 560 CG2 VAL A 68 -25.414 -29.048 -3.012 1.00 6.78 C +ANISOU 560 CG2 VAL A 68 719 1018 838 -95 82 -18 C +ATOM 561 C VAL A 68 -27.732 -29.015 0.083 1.00 4.83 C +ANISOU 561 C VAL A 68 534 695 605 55 9 39 C +ATOM 562 O VAL A 68 -27.320 -28.782 1.221 1.00 5.09 O +ANISOU 562 O VAL A 68 608 689 636 46 -25 -4 O +ATOM 563 N LEU A 69 -28.995 -28.756 -0.280 1.00 4.59 N +ANISOU 563 N LEU A 69 538 774 431 74 -2 -3 N +ATOM 564 CA LEU A 69 -29.885 -28.132 0.687 1.00 4.93 C +ANISOU 564 CA LEU A 69 535 856 481 108 55 54 C +ATOM 565 CB LEU A 69 -31.167 -27.605 0.041 1.00 4.82 C +ANISOU 565 CB LEU A 69 600 608 623 162 -22 -50 C +ATOM 566 CG LEU A 69 -31.042 -26.393 -0.864 1.00 7.34 C +ANISOU 566 CG LEU A 69 968 753 1068 238 -167 218 C +ATOM 567 CD1 LEU A 69 -32.420 -25.871 -1.178 1.00 6.55 C +ANISOU 567 CD1 LEU A 69 1006 658 824 253 -144 174 C +ATOM 568 CD2 LEU A 69 -30.084 -25.306 -0.360 1.00 11.19 C +ANISOU 568 CD2 LEU A 69 1475 1189 1587 -190 -208 218 C +ATOM 569 C LEU A 69 -30.207 -29.064 1.851 1.00 4.57 C +ANISOU 569 C LEU A 69 462 681 592 55 -3 14 C +ATOM 570 O LEU A 69 -30.431 -28.588 2.964 1.00 5.50 O +ANISOU 570 O LEU A 69 718 785 586 99 8 -34 O +ATOM 571 N THR A 70 -30.265 -30.380 1.615 1.00 4.70 N +ANISOU 571 N THR A 70 614 660 511 67 -2 1 N +ATOM 572 CA THR A 70 -30.514 -31.306 2.712 1.00 4.78 C +ANISOU 572 CA THR A 70 588 720 508 50 100 2 C +ATOM 573 CB THR A 70 -30.876 -32.694 2.168 1.00 5.74 C +ANISOU 573 CB THR A 70 729 797 656 -108 -81 15 C +ATOM 574 OG1 THR A 70 -32.036 -32.586 1.330 1.00 5.99 O +ANISOU 574 OG1 THR A 70 647 921 709 -86 -40 -53 O +ATOM 575 CG2 THR A 70 -31.149 -33.672 3.272 1.00 6.81 C +ANISOU 575 CG2 THR A 70 1036 818 734 -313 -98 65 C +ATOM 576 C THR A 70 -29.337 -31.315 3.678 1.00 4.85 C +ANISOU 576 C THR A 70 650 563 631 19 15 -4 C +ATOM 577 O THR A 70 -29.514 -31.345 4.899 1.00 5.47 O +ANISOU 577 O THR A 70 712 743 624 65 36 97 O +ATOM 578 N ALA A 71 -28.110 -31.252 3.139 1.00 4.89 N +ANISOU 578 N ALA A 71 620 720 517 62 -42 75 N +ATOM 579 CA ALA A 71 -26.929 -31.179 3.989 1.00 5.04 C +ANISOU 579 CA ALA A 71 658 640 617 82 -83 58 C +ATOM 580 CB ALA A 71 -25.652 -31.302 3.173 1.00 5.79 C +ANISOU 580 CB ALA A 71 634 800 766 164 -61 30 C +ATOM 581 C ALA A 71 -26.946 -29.884 4.812 1.00 4.72 C +ANISOU 581 C ALA A 71 540 662 593 26 -41 56 C +ATOM 582 O ALA A 71 -26.648 -29.888 6.011 1.00 5.64 O +ANISOU 582 O ALA A 71 788 720 634 89 -136 -21 O +ATOM 583 N LEU A 72 -27.256 -28.765 4.164 1.00 4.80 N +ANISOU 583 N LEU A 72 704 544 575 33 49 -6 N +ATOM 584 CA LEU A 72 -27.331 -27.502 4.880 1.00 5.08 C +ANISOU 584 CA LEU A 72 772 514 642 58 5 -12 C +ATOM 585 CB LEU A 72 -27.534 -26.334 3.917 1.00 5.90 C +ANISOU 585 CB LEU A 72 941 609 691 62 -15 64 C +ATOM 586 CG LEU A 72 -27.635 -24.959 4.561 1.00 6.89 C +ANISOU 586 CG LEU A 72 1216 584 819 78 204 73 C +ATOM 587 CD1 LEU A 72 -26.379 -24.603 5.350 1.00 9.21 C +ANISOU 587 CD1 LEU A 72 1822 847 831 -176 -65 -31 C +ATOM 588 CD2 LEU A 72 -27.934 -23.915 3.509 1.00 7.75 C +ANISOU 588 CD2 LEU A 72 1326 630 987 98 187 141 C +ATOM 589 C LEU A 72 -28.426 -27.520 5.938 1.00 5.14 C +ANISOU 589 C LEU A 72 795 539 617 156 24 6 C +ATOM 590 O LEU A 72 -28.230 -27.068 7.065 1.00 6.06 O +ANISOU 590 O LEU A 72 960 755 588 100 -68 8 O +ATOM 591 N GLY A 73 -29.584 -28.082 5.592 1.00 5.39 N +ANISOU 591 N GLY A 73 801 658 587 119 46 41 N +ATOM 592 CA GLY A 73 -30.661 -28.193 6.549 1.00 5.06 C +ANISOU 592 CA GLY A 73 685 683 554 73 -13 -73 C +ATOM 593 C GLY A 73 -30.265 -28.994 7.779 1.00 5.42 C +ANISOU 593 C GLY A 73 723 740 598 34 -51 -61 C +ATOM 594 O GLY A 73 -30.635 -28.656 8.904 1.00 6.12 O +ANISOU 594 O GLY A 73 918 823 585 66 25 -21 O +ATOM 595 N ALA A 74 -29.516 -30.080 7.575 1.00 5.41 N +ANISOU 595 N ALA A 74 790 736 531 109 -29 23 N +ATOM 596 CA ALA A 74 -29.095 -30.891 8.702 1.00 6.04 C +ANISOU 596 CA ALA A 74 833 740 721 79 -36 160 C +ATOM 597 CB ALA A 74 -28.436 -32.174 8.228 1.00 7.30 C +ANISOU 597 CB ALA A 74 1148 721 903 92 -135 9 C +ATOM 598 C ALA A 74 -28.162 -30.092 9.609 1.00 5.76 C +ANISOU 598 C ALA A 74 850 702 636 185 -38 70 C +ATOM 599 O ALA A 74 -28.221 -30.187 10.843 1.00 7.25 O +ANISOU 599 O ALA A 74 1131 1009 615 -7 -86 182 O +ATOM 600 N ILE A 75 -27.277 -29.291 9.007 1.00 5.63 N +ANISOU 600 N ILE A 75 868 707 564 62 -111 29 N +ATOM 601 CA ILE A 75 -26.428 -28.391 9.778 1.00 5.59 C +ANISOU 601 CA ILE A 75 874 724 524 126 -205 69 C +ATOM 602 CB ILE A 75 -25.404 -27.722 8.842 1.00 6.39 C +ANISOU 602 CB ILE A 75 919 818 689 32 -130 68 C +ATOM 603 CG1 ILE A 75 -24.369 -28.748 8.384 1.00 8.22 C +ANISOU 603 CG1 ILE A 75 937 1292 896 30 -68 -355 C +ATOM 604 CG2 ILE A 75 -24.759 -26.516 9.501 1.00 7.45 C +ANISOU 604 CG2 ILE A 75 873 1116 842 -134 11 -100 C +ATOM 605 CD1 ILE A 75 -23.608 -28.361 7.115 1.00 11.08 C +ANISOU 605 CD1 ILE A 75 1216 1917 1077 -259 208 -411 C +ATOM 606 C ILE A 75 -27.264 -27.388 10.573 1.00 5.83 C +ANISOU 606 C ILE A 75 721 961 534 86 -71 32 C +ATOM 607 O ILE A 75 -27.044 -27.196 11.766 1.00 6.49 O +ANISOU 607 O ILE A 75 987 941 537 137 -87 -45 O +ATOM 608 N LEU A 76 -28.207 -26.709 9.913 1.00 5.74 N +ANISOU 608 N LEU A 76 847 806 530 174 -114 -77 N +ATOM 609 CA LEU A 76 -29.019 -25.697 10.593 1.00 5.92 C +ANISOU 609 CA LEU A 76 1038 635 578 86 -4 -73 C +ATOM 610 CB LEU A 76 -29.974 -25.003 9.582 1.00 7.52 C +ANISOU 610 CB LEU A 76 1400 859 599 343 25 15 C +ATOM 611 CG LEU A 76 -29.325 -24.205 8.463 1.00 8.31 C +ANISOU 611 CG LEU A 76 1617 883 659 358 75 33 C +ATOM 612 CD1 LEU A 76 -30.394 -23.728 7.479 1.00 11.10 C +ANISOU 612 CD1 LEU A 76 2093 1394 728 742 -101 67 C +ATOM 613 CD2 LEU A 76 -28.526 -23.046 8.974 1.00 10.81 C +ANISOU 613 CD2 LEU A 76 2069 987 1051 106 225 72 C +ATOM 614 C LEU A 76 -29.787 -26.286 11.773 1.00 5.77 C +ANISOU 614 C LEU A 76 799 776 618 177 -92 -5 C +ATOM 615 O LEU A 76 -29.904 -25.661 12.820 1.00 6.53 O +ANISOU 615 O LEU A 76 972 872 635 202 -107 -76 O +ATOM 616 N LYS A 77 -30.297 -27.509 11.610 1.00 5.85 N +ANISOU 616 N LYS A 77 862 850 509 102 12 -73 N +ATOM 617 CA LYS A 77 -31.074 -28.140 12.658 1.00 6.05 C +ANISOU 617 CA LYS A 77 809 809 680 107 -50 103 C +ATOM 618 CB LYS A 77 -31.777 -29.388 12.099 1.00 6.90 C +ANISOU 618 CB LYS A 77 991 925 707 38 -82 -13 C +ATOM 619 CG LYS A 77 -32.884 -29.065 11.112 1.00 6.77 C +ANISOU 619 CG LYS A 77 878 908 786 10 -41 45 C +ATOM 620 CD LYS A 77 -33.414 -30.286 10.410 1.00 7.91 C +ANISOU 620 CD LYS A 77 1063 1068 875 -138 -100 34 C +ATOM 621 CE LYS A 77 -34.262 -29.904 9.237 1.00 8.37 C +ANISOU 621 CE LYS A 77 1032 1185 961 -216 -178 70 C +ATOM 622 NZ LYS A 77 -34.941 -31.056 8.617 1.00 8.33 N +ANISOU 622 NZ LYS A 77 1093 1191 880 -255 -128 47 N +ATOM 623 C LYS A 77 -30.255 -28.471 13.896 1.00 5.92 C +ANISOU 623 C LYS A 77 854 681 713 65 -83 74 C +ATOM 624 O LYS A 77 -30.826 -28.634 14.974 1.00 7.95 O +ANISOU 624 O LYS A 77 1023 1300 696 44 -11 142 O +ATOM 625 N LYS A 78 -28.929 -28.570 13.747 1.00 6.06 N +ANISOU 625 N LYS A 78 822 851 631 111 -95 14 N +ATOM 626 CA LYS A 78 -28.052 -28.725 14.895 1.00 6.63 C +ANISOU 626 CA LYS A 78 1011 819 689 147 -195 39 C +ATOM 627 CB LYS A 78 -26.672 -29.235 14.461 1.00 7.28 C +ANISOU 627 CB LYS A 78 1072 985 710 264 -151 50 C +ATOM 628 CG LYS A 78 -26.643 -30.655 13.979 1.00 8.72 C +ANISOU 628 CG LYS A 78 1155 1216 943 502 -271 -180 C +ATOM 629 CD LYS A 78 -27.264 -31.641 14.969 1.00 28.74 C +ANISOU 629 CD LYS A 78 4123 661 6135 313 2607 101 C +ATOM 630 CE LYS A 78 -26.271 -32.237 15.895 1.00 48.98 C +ANISOU 630 CE LYS A 78 6024 8093 4493 133 -710 -651 C +ATOM 631 NZ LYS A 78 -25.271 -33.067 15.169 1.00 47.64 N +ANISOU 631 NZ LYS A 78 9128 5274 3699 1571 688 -491 N +ATOM 632 C LYS A 78 -27.882 -27.450 15.715 1.00 6.69 C +ANISOU 632 C LYS A 78 1023 801 719 124 -122 43 C +ATOM 633 O LYS A 78 -27.320 -27.522 16.813 1.00 7.25 O +ANISOU 633 O LYS A 78 1138 939 677 203 -157 -14 O +ATOM 634 N LYS A 79 -28.326 -26.298 15.206 1.00 6.36 N +ANISOU 634 N LYS A 79 906 847 664 202 -107 -6 N +ATOM 635 CA LYS A 79 -28.317 -25.047 15.966 1.00 6.82 C +ANISOU 635 CA LYS A 79 1004 823 762 394 -149 -43 C +ATOM 636 CB LYS A 79 -29.414 -25.022 17.044 1.00 7.97 C +ANISOU 636 CB LYS A 79 1262 998 767 405 -69 -64 C +ATOM 637 CG LYS A 79 -30.800 -25.194 16.487 1.00 8.86 C +ANISOU 637 CG LYS A 79 1222 1010 1135 118 -39 -1 C +ATOM 638 CD LYS A 79 -31.846 -24.917 17.597 1.00 11.96 C +ANISOU 638 CD LYS A 79 1549 1725 1271 347 54 351 C +ATOM 639 CE LYS A 79 -31.755 -25.754 18.806 0.50 8.46 C +ANISOU 639 CE LYS A 79 1006 913 1294 53 214 125 C +ATOM 640 NZ LYS A 79 -32.991 -25.563 19.591 0.50 9.27 N +ANISOU 640 NZ LYS A 79 1471 1257 794 -182 509 117 N +ATOM 641 C LYS A 79 -26.926 -24.775 16.557 1.00 6.89 C +ANISOU 641 C LYS A 79 1153 873 593 346 -157 -67 C +ATOM 642 O LYS A 79 -26.775 -24.407 17.720 1.00 8.03 O +ANISOU 642 O LYS A 79 1407 1032 612 356 -133 -118 O +ATOM 643 N GLY A 80 -25.915 -24.924 15.696 1.00 6.56 N +ANISOU 643 N GLY A 80 987 840 666 145 -210 -226 N +ATOM 644 CA GLY A 80 -24.545 -24.621 16.054 1.00 7.55 C +ANISOU 644 CA GLY A 80 1068 898 904 179 -341 -186 C +ATOM 645 C GLY A 80 -23.699 -25.822 16.450 1.00 6.78 C +ANISOU 645 C GLY A 80 974 916 686 174 -187 -75 C +ATOM 646 O GLY A 80 -22.468 -25.738 16.447 1.00 8.49 O +ANISOU 646 O GLY A 80 996 1113 1116 116 -210 42 O +ATOM 647 N HIS A 81 -24.352 -26.929 16.802 1.00 6.71 N +ANISOU 647 N HIS A 81 899 976 674 206 -88 48 N +ATOM 648 CA HIS A 81 -23.646 -28.120 17.254 1.00 7.14 C +ANISOU 648 CA HIS A 81 1065 1043 606 280 -180 63 C +ATOM 649 CB HIS A 81 -24.480 -28.866 18.289 1.00 8.24 C +ANISOU 649 CB HIS A 81 1238 1127 766 268 -122 82 C +ATOM 650 CG HIS A 81 -24.700 -28.096 19.555 1.00 8.66 C +ANISOU 650 CG HIS A 81 1337 1272 683 138 -116 76 C +ATOM 651 ND1 HIS A 81 -25.743 -27.214 19.801 1.00 12.11 N +ANISOU 651 ND1 HIS A 81 1746 1726 1127 101 109 -230 N +ATOM 652 CE1 HIS A 81 -25.555 -26.785 21.057 1.00 9.83 C +ANISOU 652 CE1 HIS A 81 1390 1411 934 -32 628 -197 C +ATOM 653 NE2 HIS A 81 -24.486 -27.313 21.585 1.00 13.75 N +ANISOU 653 NE2 HIS A 81 2479 1743 1000 -42 195 -121 N +ATOM 654 CD2 HIS A 81 -23.918 -28.136 20.651 1.00 8.95 C +ANISOU 654 CD2 HIS A 81 1446 1310 643 96 -216 120 C +ATOM 655 C HIS A 81 -23.360 -29.031 16.059 1.00 7.27 C +ANISOU 655 C HIS A 81 1133 975 653 311 -194 92 C +ATOM 656 O HIS A 81 -23.800 -30.175 16.019 1.00 8.22 O +ANISOU 656 O HIS A 81 1423 945 755 287 49 70 O +ATOM 657 N HIS A 82 -22.602 -28.513 15.096 1.00 7.47 N +ANISOU 657 N HIS A 82 1168 1016 654 211 -105 -45 N +ATOM 658 CA HIS A 82 -22.500 -29.104 13.773 1.00 7.66 C +ANISOU 658 CA HIS A 82 1317 932 660 353 -166 -72 C +ATOM 659 CB HIS A 82 -22.967 -28.082 12.711 1.00 7.38 C +ANISOU 659 CB HIS A 82 1135 995 674 358 33 36 C +ATOM 660 CG HIS A 82 -22.307 -26.739 12.829 1.00 7.37 C +ANISOU 660 CG HIS A 82 938 1113 750 311 50 -3 C +ATOM 661 ND1 HIS A 82 -23.035 -25.598 12.696 1.00 9.31 N +ANISOU 661 ND1 HIS A 82 977 981 1578 245 -134 -9 N +ATOM 662 CE1 HIS A 82 -22.176 -24.600 12.854 1.00 9.42 C +ANISOU 662 CE1 HIS A 82 1065 988 1524 179 8 -98 C +ATOM 663 NE2 HIS A 82 -20.942 -25.041 13.057 1.00 9.01 N +ANISOU 663 NE2 HIS A 82 1131 1219 1071 268 21 63 N +ATOM 664 CD2 HIS A 82 -21.003 -26.403 13.028 1.00 8.37 C +ANISOU 664 CD2 HIS A 82 868 1189 1122 427 53 157 C +ATOM 665 C HIS A 82 -21.102 -29.610 13.435 1.00 8.22 C +ANISOU 665 C HIS A 82 1389 985 751 336 -85 104 C +ATOM 666 O HIS A 82 -20.794 -29.828 12.258 1.00 8.92 O +ANISOU 666 O HIS A 82 1447 1148 793 405 40 45 O +ATOM 667 N GLU A 83 -20.266 -29.872 14.447 1.00 9.04 N +ANISOU 667 N GLU A 83 1420 1370 645 513 -18 40 N +ATOM 668 CA GLU A 83 -18.917 -30.349 14.179 1.00 10.21 C +ANISOU 668 CA GLU A 83 1376 1360 1143 526 -67 160 C +ATOM 669 CB GLU A 83 -18.180 -30.619 15.505 1.00 13.70 C +ANISOU 669 CB GLU A 83 1896 2021 1289 699 -498 -271 C +ATOM 670 CG GLU A 83 -16.826 -31.289 15.342 1.00 20.66 C +ANISOU 670 CG GLU A 83 2356 3464 2029 1423 -319 318 C +ATOM 671 CD GLU A 83 -15.772 -30.399 14.728 1.00 23.86 C +ANISOU 671 CD GLU A 83 1928 5262 1877 1006 212 -147 C +ATOM 672 OE1 GLU A 83 -16.005 -29.179 14.619 1.00 32.39 O +ANISOU 672 OE1 GLU A 83 3618 5313 3375 2070 -486 73 O +ATOM 673 OE2 GLU A 83 -14.692 -30.916 14.372 1.00 32.05 O +ANISOU 673 OE2 GLU A 83 3011 6526 2640 2746 783 1039 O +ATOM 674 C GLU A 83 -18.905 -31.598 13.297 1.00 10.63 C +ANISOU 674 C GLU A 83 1538 1575 925 661 -24 152 C +ATOM 675 O GLU A 83 -18.121 -31.709 12.355 1.00 12.56 O +ANISOU 675 O GLU A 83 1733 1836 1202 858 167 156 O +ATOM 676 N ALA A 84 -19.745 -32.575 13.637 1.00 10.33 N +ANISOU 676 N ALA A 84 1697 1373 852 711 260 116 N +ATOM 677 CA ALA A 84 -19.723 -33.846 12.929 1.00 11.67 C +ANISOU 677 CA ALA A 84 2194 1214 1024 837 289 224 C +ATOM 678 CB ALA A 84 -20.650 -34.869 13.573 1.00 15.13 C +ANISOU 678 CB ALA A 84 3273 1124 1352 519 706 126 C +ATOM 679 C ALA A 84 -20.106 -33.657 11.460 1.00 11.03 C +ANISOU 679 C ALA A 84 2015 1174 1001 749 358 118 C +ATOM 680 O ALA A 84 -19.576 -34.327 10.570 1.00 14.37 O +ANISOU 680 O ALA A 84 3015 1466 978 1211 449 108 O +ATOM 681 N GLU A 85 -21.061 -32.767 11.196 1.00 8.99 N +ANISOU 681 N GLU A 85 1492 1084 839 411 253 -31 N +ATOM 682 CA GLU A 85 -21.521 -32.510 9.844 1.00 9.20 C +ANISOU 682 CA GLU A 85 1393 1212 892 254 71 -164 C +ATOM 683 CB GLU A 85 -22.835 -31.751 9.877 1.00 10.22 C +ANISOU 683 CB GLU A 85 1486 1257 1139 337 -44 -116 C +ATOM 684 CG GLU A 85 -23.996 -32.542 10.443 1.00 11.37 C +ANISOU 684 CG GLU A 85 1288 1461 1572 285 -35 -226 C +ATOM 685 CD GLU A 85 -24.062 -32.758 11.953 1.00 11.75 C +ANISOU 685 CD GLU A 85 1583 1174 1707 182 186 38 C +ATOM 686 OE1 GLU A 85 -23.347 -32.069 12.698 1.00 12.27 O +ANISOU 686 OE1 GLU A 85 1931 1395 1335 187 475 -241 O +ATOM 687 OE2 GLU A 85 -24.860 -33.610 12.402 1.00 14.72 O +ANISOU 687 OE2 GLU A 85 1795 1785 2011 -252 -166 385 O +ATOM 688 C GLU A 85 -20.504 -31.714 9.037 1.00 8.74 C +ANISOU 688 C GLU A 85 1606 925 792 199 -46 -47 C +ATOM 689 O GLU A 85 -20.378 -31.917 7.824 1.00 8.83 O +ANISOU 689 O GLU A 85 1309 1281 766 164 -37 -136 O +ATOM 690 N LEU A 86 -19.798 -30.782 9.692 1.00 8.53 N +ANISOU 690 N LEU A 86 1455 1044 741 233 43 -153 N +ATOM 691 CA LEU A 86 -18.847 -29.967 8.964 1.00 8.92 C +ANISOU 691 CA LEU A 86 1587 1142 661 158 -90 4 C +ATOM 692 CB LEU A 86 -18.485 -28.700 9.720 1.00 13.27 C +ANISOU 692 CB LEU A 86 2567 1283 1191 6 -259 -258 C +ATOM 693 CG LEU A 86 -19.540 -27.635 9.900 1.00 16.03 C +ANISOU 693 CG LEU A 86 2894 1210 1988 88 -364 -407 C +ATOM 694 CD1 LEU A 86 -18.865 -26.319 10.233 1.00 15.53 C +ANISOU 694 CD1 LEU A 86 2946 1123 1832 -103 83 -301 C +ATOM 695 CD2 LEU A 86 -20.455 -27.479 8.731 1.00 17.59 C +ANISOU 695 CD2 LEU A 86 2746 1410 2527 255 -569 -402 C +ATOM 696 C LEU A 86 -17.566 -30.690 8.582 1.00 9.05 C +ANISOU 696 C LEU A 86 1483 914 1040 -139 -35 -46 C +ATOM 697 O LEU A 86 -16.939 -30.277 7.617 1.00 11.35 O +ANISOU 697 O LEU A 86 2220 1136 957 -74 260 8 O +ATOM 698 N LYS A 87 -17.150 -31.702 9.352 1.00 9.33 N +ANISOU 698 N LYS A 87 1280 1285 980 -70 3 188 N +ATOM 699 CA LYS A 87 -15.893 -32.380 9.048 1.00 11.00 C +ANISOU 699 CA LYS A 87 1052 1976 1153 -11 -102 243 C +ATOM 700 CB LYS A 87 -15.581 -33.530 10.022 1.00 13.00 C +ANISOU 700 CB LYS A 87 1436 1875 1627 130 -176 382 C +ATOM 701 CG LYS A 87 -15.032 -33.079 11.367 1.00 16.05 C +ANISOU 701 CG LYS A 87 1303 2931 1865 445 -398 -14 C +ATOM 702 CD LYS A 87 -14.654 -34.284 12.246 1.00 21.15 C +ANISOU 702 CD LYS A 87 1793 4173 2071 832 -600 791 C +ATOM 703 CE LYS A 87 -14.240 -33.862 13.643 1.00 32.15 C +ANISOU 703 CE LYS A 87 3756 6215 2242 910 153 -593 C +ATOM 704 NZ LYS A 87 -13.840 -35.025 14.454 1.00 48.58 N +ANISOU 704 NZ LYS A 87 4964 7271 6224 -301 -609 3669 N +ATOM 705 C LYS A 87 -15.854 -32.899 7.620 1.00 8.68 C +ANISOU 705 C LYS A 87 875 1273 1149 93 -236 383 C +ATOM 706 O LYS A 87 -14.925 -32.544 6.878 1.00 9.59 O +ANISOU 706 O LYS A 87 868 1332 1443 43 -73 277 O +ATOM 707 N PRO A 88 -16.816 -33.744 7.174 1.00 8.75 N +ANISOU 707 N PRO A 88 803 1127 1393 150 -39 157 N +ATOM 708 CA PRO A 88 -16.698 -34.288 5.818 1.00 9.07 C +ANISOU 708 CA PRO A 88 1057 938 1451 121 89 137 C +ATOM 709 CB PRO A 88 -17.784 -35.365 5.766 1.00 9.74 C +ANISOU 709 CB PRO A 88 1319 877 1503 28 118 92 C +ATOM 710 CG PRO A 88 -18.772 -34.964 6.823 1.00 10.92 C +ANISOU 710 CG PRO A 88 1253 1375 1520 -86 173 -123 C +ATOM 711 CD PRO A 88 -17.923 -34.362 7.937 1.00 10.48 C +ANISOU 711 CD PRO A 88 1034 1312 1634 32 -66 251 C +ATOM 712 C PRO A 88 -16.874 -33.220 4.750 1.00 7.39 C +ANISOU 712 C PRO A 88 735 912 1160 103 -5 -53 C +ATOM 713 O PRO A 88 -16.244 -33.279 3.696 1.00 8.15 O +ANISOU 713 O PRO A 88 906 859 1330 140 177 -94 O +ATOM 714 N LEU A 89 -17.753 -32.246 5.028 1.00 7.13 N +ANISOU 714 N LEU A 89 769 931 1009 143 -77 -71 N +ATOM 715 CA LEU A 89 -18.042 -31.196 4.058 1.00 6.94 C +ANISOU 715 CA LEU A 89 765 989 880 223 -234 -121 C +ATOM 716 CB LEU A 89 -19.235 -30.385 4.529 1.00 8.33 C +ANISOU 716 CB LEU A 89 759 1077 1329 217 -174 -179 C +ATOM 717 CG LEU A 89 -19.823 -29.416 3.584 1.00 11.00 C +ANISOU 717 CG LEU A 89 1002 1375 1802 127 -238 281 C +ATOM 718 CD1 LEU A 89 -20.561 -30.172 2.472 1.00 14.42 C +ANISOU 718 CD1 LEU A 89 1617 2848 1015 587 -506 51 C +ATOM 719 CD2 LEU A 89 -20.783 -28.403 4.370 1.00 17.66 C +ANISOU 719 CD2 LEU A 89 831 1710 4170 662 751 1198 C +ATOM 720 C LEU A 89 -16.823 -30.299 3.847 1.00 6.32 C +ANISOU 720 C LEU A 89 757 869 776 310 -133 -78 C +ATOM 721 O LEU A 89 -16.445 -29.959 2.729 1.00 7.02 O +ANISOU 721 O LEU A 89 711 1080 875 326 -141 5 O +ATOM 722 N ALA A 90 -16.189 -29.900 4.950 1.00 5.93 N +ANISOU 722 N ALA A 90 552 932 770 241 -130 50 N +ATOM 723 CA ALA A 90 -14.995 -29.087 4.859 1.00 6.49 C +ANISOU 723 CA ALA A 90 665 917 884 156 -129 43 C +ATOM 724 CB ALA A 90 -14.519 -28.647 6.228 1.00 7.56 C +ANISOU 724 CB ALA A 90 716 1189 967 93 -146 -79 C +ATOM 725 C ALA A 90 -13.890 -29.843 4.123 1.00 6.50 C +ANISOU 725 C ALA A 90 559 960 953 154 -241 -11 C +ATOM 726 O ALA A 90 -13.169 -29.273 3.294 1.00 7.56 O +ANISOU 726 O ALA A 90 765 1031 1077 95 -87 95 O +ATOM 727 N GLN A 91 -13.717 -31.129 4.428 1.00 6.53 N +ANISOU 727 N GLN A 91 624 954 905 194 -109 30 N +ATOM 728 CA GLN A 91 -12.646 -31.870 3.791 1.00 6.32 C +ANISOU 728 CA GLN A 91 525 981 896 117 -84 7 C +ATOM 729 CB GLN A 91 -12.464 -33.255 4.414 1.00 7.16 C +ANISOU 729 CB GLN A 91 732 953 1035 269 -62 23 C +ATOM 730 CG GLN A 91 -11.290 -33.986 3.776 1.00 7.46 C +ANISOU 730 CG GLN A 91 541 988 1305 181 -102 -11 C +ATOM 731 CD GLN A 91 -11.016 -35.316 4.350 1.00 8.37 C +ANISOU 731 CD GLN A 91 759 975 1446 166 -38 -7 C +ATOM 732 OE1 GLN A 91 -11.933 -36.113 4.658 1.00 12.46 O +ANISOU 732 OE1 GLN A 91 876 1030 2827 123 212 193 O +ATOM 733 NE2 GLN A 91 -9.729 -35.662 4.499 1.00 7.83 N +ANISOU 733 NE2 GLN A 91 853 862 1261 278 -214 -165 N +ATOM 734 C GLN A 91 -12.867 -31.975 2.278 1.00 6.16 C +ANISOU 734 C GLN A 91 578 872 889 270 -180 28 C +ATOM 735 O GLN A 91 -11.940 -31.772 1.486 1.00 7.35 O +ANISOU 735 O GLN A 91 720 1157 915 211 -28 -56 O +ATOM 736 N SER A 92 -14.082 -32.325 1.845 1.00 6.25 N +ANISOU 736 N SER A 92 584 885 905 166 -66 -2 N +ATOM 737 CA SER A 92 -14.316 -32.460 0.427 1.00 6.42 C +ANISOU 737 CA SER A 92 627 893 917 253 -192 -93 C +ATOM 738 CB SER A 92 -15.652 -33.089 0.113 1.00 7.65 C +ANISOU 738 CB SER A 92 759 872 1275 94 -240 35 C +ATOM 739 OG SER A 92 -16.712 -32.255 0.523 1.00 7.72 O +ANISOU 739 OG SER A 92 737 1010 1185 96 -140 -104 O +ATOM 740 C SER A 92 -14.199 -31.105 -0.275 1.00 6.74 C +ANISOU 740 C SER A 92 534 994 1032 157 -71 1 C +ATOM 741 O SER A 92 -13.611 -31.011 -1.363 1.00 7.46 O +ANISOU 741 O SER A 92 700 1149 985 245 -90 59 O +ATOM 742 N HIS A 93 -14.741 -30.046 0.340 1.00 6.63 N +ANISOU 742 N HIS A 93 569 1006 945 213 -90 93 N +ATOM 743 CA HIS A 93 -14.764 -28.751 -0.324 1.00 6.42 C +ANISOU 743 CA HIS A 93 576 953 910 123 -107 50 C +ATOM 744 CB HIS A 93 -15.893 -27.860 0.222 1.00 6.32 C +ANISOU 744 CB HIS A 93 564 906 931 87 -39 92 C +ATOM 745 CG HIS A 93 -17.244 -28.323 -0.250 1.00 6.34 C +ANISOU 745 CG HIS A 93 544 808 1055 3 -25 53 C +ATOM 746 ND1 HIS A 93 -18.094 -27.635 -1.111 1.00 9.23 N +ANISOU 746 ND1 HIS A 93 598 1623 1283 124 -263 -36 N +ATOM 747 CE1 HIS A 93 -19.164 -28.395 -1.354 1.00 5.50 C +ANISOU 747 CE1 HIS A 93 655 966 469 458 24 176 C +ATOM 748 NE2 HIS A 93 -19.115 -29.415 -0.801 1.00 10.10 N +ANISOU 748 NE2 HIS A 93 773 1830 1233 -94 -244 -181 N +ATOM 749 CD2 HIS A 93 -17.856 -29.488 -0.006 1.00 6.03 C +ANISOU 749 CD2 HIS A 93 1074 397 819 194 52 246 C +ATOM 750 C HIS A 93 -13.389 -28.096 -0.326 1.00 6.94 C +ANISOU 750 C HIS A 93 541 1047 1049 125 2 23 C +ATOM 751 O HIS A 93 -13.064 -27.383 -1.267 1.00 8.96 O +ANISOU 751 O HIS A 93 730 1350 1323 174 30 400 O +ATOM 752 N ALA A 94 -12.541 -28.398 0.661 1.00 6.76 N +ANISOU 752 N ALA A 94 636 868 1064 63 -65 -64 N +ATOM 753 CA ALA A 94 -11.168 -27.905 0.641 1.00 7.33 C +ANISOU 753 CA ALA A 94 523 906 1356 178 -54 15 C +ATOM 754 CB ALA A 94 -10.549 -28.041 2.028 1.00 8.69 C +ANISOU 754 CB ALA A 94 633 1145 1522 124 -242 -33 C +ATOM 755 C ALA A 94 -10.324 -28.672 -0.376 1.00 8.20 C +ANISOU 755 C ALA A 94 873 996 1248 232 86 101 C +ATOM 756 O ALA A 94 -9.596 -28.070 -1.154 1.00 11.00 O +ANISOU 756 O ALA A 94 1060 1229 1889 305 501 322 O +ATOM 757 N THR A 95 -10.361 -30.003 -0.304 1.00 7.55 N +ANISOU 757 N THR A 95 593 965 1310 255 71 46 N +ATOM 758 CA THR A 95 -9.324 -30.813 -0.909 1.00 7.95 C +ANISOU 758 CA THR A 95 653 1115 1251 290 26 -35 C +ATOM 759 CB THR A 95 -8.878 -31.908 0.072 1.00 8.41 C +ANISOU 759 CB THR A 95 787 1310 1097 340 -290 -107 C +ATOM 760 OG1 THR A 95 -8.501 -31.248 1.266 1.00 16.24 O +ANISOU 760 OG1 THR A 95 2486 2175 1508 1450 -1065 -745 O +ATOM 761 CG2 THR A 95 -7.720 -32.724 -0.439 1.00 8.44 C +ANISOU 761 CG2 THR A 95 726 935 1547 125 -126 -81 C +ATOM 762 C THR A 95 -9.716 -31.368 -2.256 1.00 8.72 C +ANISOU 762 C THR A 95 821 1257 1235 454 34 -41 C +ATOM 763 O THR A 95 -8.861 -31.492 -3.122 1.00 13.09 O +ANISOU 763 O THR A 95 1146 2349 1478 781 350 -143 O +ATOM 764 N LYS A 96 -10.981 -31.753 -2.402 1.00 9.30 N +ANISOU 764 N LYS A 96 815 1641 1075 436 -101 -218 N +ATOM 765 CA LYS A 96 -11.441 -32.269 -3.676 1.00 10.96 C +ANISOU 765 CA LYS A 96 1346 1765 1054 726 -266 -367 C +ATOM 766 CB LYS A 96 -12.492 -33.350 -3.478 1.00 14.13 C +ANISOU 766 CB LYS A 96 1927 1474 1967 484 -820 -270 C +ATOM 767 CG LYS A 96 -12.919 -33.916 -4.846 1.00 17.80 C +ANISOU 767 CG LYS A 96 2445 2430 1890 1112 -664 -796 C +ATOM 768 CD LYS A 96 -13.757 -35.116 -4.834 1.00 25.64 C +ANISOU 768 CD LYS A 96 2675 3112 3955 699 139 334 C +ATOM 769 CE LYS A 96 -13.775 -35.718 -6.226 1.00 51.24 C +ANISOU 769 CE LYS A 96 8995 5069 5403 -1145 -3958 -2185 C +ATOM 770 NZ LYS A 96 -14.811 -36.775 -6.371 1.00 43.52 N +ANISOU 770 NZ LYS A 96 4552 5834 6151 577 -699 -1268 N +ATOM 771 C LYS A 96 -11.966 -31.159 -4.582 1.00 11.86 C +ANISOU 771 C LYS A 96 1136 2357 1014 858 -24 -44 C +ATOM 772 O LYS A 96 -11.535 -31.013 -5.722 1.00 15.65 O +ANISOU 772 O LYS A 96 1556 3276 1114 1126 122 -2 O +ATOM 773 N HIS A 97 -12.913 -30.369 -4.076 1.00 8.94 N +ANISOU 773 N HIS A 97 849 1628 921 418 -35 32 N +ATOM 774 CA HIS A 97 -13.576 -29.394 -4.927 1.00 9.40 C +ANISOU 774 CA HIS A 97 763 1864 942 334 -76 196 C +ATOM 775 CB HIS A 97 -15.032 -29.202 -4.473 1.00 8.95 C +ANISOU 775 CB HIS A 97 806 1629 967 286 -15 235 C +ATOM 776 CG HIS A 97 -15.780 -30.481 -4.234 1.00 8.24 C +ANISOU 776 CG HIS A 97 826 1344 961 333 -147 72 C +ATOM 777 ND1 HIS A 97 -15.711 -31.516 -5.110 1.00 10.96 N +ANISOU 777 ND1 HIS A 97 1115 1612 1437 344 -185 -309 N +ATOM 778 CE1 HIS A 97 -16.454 -32.495 -4.590 1.00 10.89 C +ANISOU 778 CE1 HIS A 97 1248 1456 1432 379 -151 -454 C +ATOM 779 NE2 HIS A 97 -17.001 -32.120 -3.415 1.00 9.49 N +ANISOU 779 NE2 HIS A 97 963 1241 1401 325 -224 -50 N +ATOM 780 CD2 HIS A 97 -16.584 -30.839 -3.198 1.00 8.33 C +ANISOU 780 CD2 HIS A 97 800 1370 996 267 -97 47 C +ATOM 781 C HIS A 97 -12.862 -28.037 -5.014 1.00 10.55 C +ANISOU 781 C HIS A 97 748 1968 1292 159 97 389 C +ATOM 782 O HIS A 97 -13.015 -27.312 -5.996 1.00 11.86 O +ANISOU 782 O HIS A 97 1017 2171 1320 228 -18 393 O +ATOM 783 N LYS A 98 -12.099 -27.702 -3.957 1.00 9.65 N +ANISOU 783 N LYS A 98 918 1418 1331 191 -34 255 N +ATOM 784 CA LYS A 98 -11.323 -26.459 -3.852 1.00 10.15 C +ANISOU 784 CA LYS A 98 892 1552 1412 196 -20 336 C +ATOM 785 CB LYS A 98 -10.184 -26.432 -4.886 1.00 13.40 C +ANISOU 785 CB LYS A 98 1044 2190 1859 94 243 330 C +ATOM 786 CG LYS A 98 -9.178 -27.519 -4.650 1.00 23.72 C +ANISOU 786 CG LYS A 98 1950 2911 4152 923 614 357 C +ATOM 787 CD LYS A 98 -8.033 -27.503 -5.634 1.00 31.86 C +ANISOU 787 CD LYS A 98 2938 5140 4027 652 1000 235 C +ATOM 788 CE LYS A 98 -7.052 -28.615 -5.369 1.00 40.06 C +ANISOU 788 CE LYS A 98 4084 4746 6391 1083 1136 -127 C +ATOM 789 NZ LYS A 98 -7.675 -29.951 -5.565 1.00 44.90 N +ANISOU 789 NZ LYS A 98 5807 5971 5280 -447 -668 703 N +ATOM 790 C LYS A 98 -12.222 -25.219 -3.955 1.00 9.31 C +ANISOU 790 C LYS A 98 889 1450 1196 141 -145 377 C +ATOM 791 O LYS A 98 -12.105 -24.383 -4.860 1.00 10.72 O +ANISOU 791 O LYS A 98 827 1770 1475 33 -40 610 O +ATOM 792 N ILE A 99 -13.104 -25.065 -2.959 1.00 9.03 N +ANISOU 792 N ILE A 99 783 1248 1398 -21 -47 379 N +ATOM 793 CA ILE A 99 -14.089 -23.997 -2.928 1.00 8.75 C +ANISOU 793 CA ILE A 99 702 1270 1353 -13 -290 393 C +ATOM 794 CB ILE A 99 -15.481 -24.534 -2.555 1.00 8.88 C +ANISOU 794 CB ILE A 99 738 1247 1390 -67 -230 462 C +ATOM 795 CG1 ILE A 99 -15.867 -25.720 -3.474 1.00 8.50 C +ANISOU 795 CG1 ILE A 99 628 1294 1310 161 -90 346 C +ATOM 796 CG2 ILE A 99 -16.496 -23.427 -2.584 1.00 9.65 C +ANISOU 796 CG2 ILE A 99 873 1411 1381 81 -380 116 C +ATOM 797 CD1 ILE A 99 -15.740 -25.456 -4.979 1.00 9.55 C +ANISOU 797 CD1 ILE A 99 810 1504 1314 -1 19 280 C +ATOM 798 C ILE A 99 -13.620 -22.911 -1.962 1.00 9.57 C +ANISOU 798 C ILE A 99 762 1321 1551 -30 -336 255 C +ATOM 799 O ILE A 99 -13.664 -23.098 -0.753 1.00 9.98 O +ANISOU 799 O ILE A 99 983 1337 1470 13 -471 223 O +ATOM 800 N PRO A 100 -13.211 -21.719 -2.444 1.00 10.47 N +ANISOU 800 N PRO A 100 759 1383 1837 46 -102 346 N +ATOM 801 CA PRO A 100 -12.794 -20.658 -1.534 1.00 11.38 C +ANISOU 801 CA PRO A 100 762 1412 2150 -157 -241 279 C +ATOM 802 CB PRO A 100 -12.249 -19.567 -2.456 1.00 14.94 C +ANISOU 802 CB PRO A 100 1254 1660 2763 -234 304 450 C +ATOM 803 CG PRO A 100 -12.226 -20.123 -3.814 1.00 22.05 C +ANISOU 803 CG PRO A 100 3808 2057 2514 -1326 -131 596 C +ATOM 804 CD PRO A 100 -13.057 -21.352 -3.859 1.00 11.71 C +ANISOU 804 CD PRO A 100 1344 1267 1838 58 3 232 C +ATOM 805 C PRO A 100 -13.950 -20.141 -0.681 1.00 10.14 C +ANISOU 805 C PRO A 100 852 1207 1795 -93 -424 239 C +ATOM 806 O PRO A 100 -15.109 -20.205 -1.066 1.00 9.65 O +ANISOU 806 O PRO A 100 705 1208 1755 -93 -262 401 O +ATOM 807 N ILE A 101 -13.604 -19.574 0.465 1.00 10.55 N +ANISOU 807 N ILE A 101 879 1472 1658 -58 -418 132 N +ATOM 808 CA ILE A 101 -14.583 -18.912 1.310 1.00 10.91 C +ANISOU 808 CA ILE A 101 831 1559 1756 -96 -267 223 C +ATOM 809 CB ILE A 101 -13.914 -18.314 2.577 1.00 13.10 C +ANISOU 809 CB ILE A 101 1203 1978 1795 66 -552 2 C +ATOM 810 CG1 ILE A 101 -13.330 -19.436 3.468 1.00 14.29 C +ANISOU 810 CG1 ILE A 101 1209 2041 2178 99 -608 116 C +ATOM 811 CG2 ILE A 101 -14.859 -17.411 3.376 1.00 15.78 C +ANISOU 811 CG2 ILE A 101 1554 2417 2023 353 -709 -418 C +ATOM 812 CD1 ILE A 101 -14.323 -20.428 4.044 1.00 16.60 C +ANISOU 812 CD1 ILE A 101 1747 2338 2220 -30 -508 517 C +ATOM 813 C ILE A 101 -15.391 -17.873 0.540 1.00 10.19 C +ANISOU 813 C ILE A 101 782 1741 1350 -93 -228 148 C +ATOM 814 O ILE A 101 -16.589 -17.770 0.770 1.00 10.62 O +ANISOU 814 O ILE A 101 784 1574 1675 -57 -318 92 O +ATOM 815 N LYS A 102 -14.745 -17.142 -0.380 1.00 10.23 N +ANISOU 815 N LYS A 102 718 1419 1749 -219 -315 195 N +ATOM 816 CA LYS A 102 -15.489 -16.171 -1.165 1.00 11.41 C +ANISOU 816 CA LYS A 102 829 1562 1946 -13 -451 64 C +ATOM 817 CB LYS A 102 -14.560 -15.457 -2.131 1.00 16.60 C +ANISOU 817 CB LYS A 102 1304 2165 2839 -851 -713 733 C +ATOM 818 CG LYS A 102 -13.921 -16.310 -3.206 1.00 31.31 C +ANISOU 818 CG LYS A 102 3652 3447 4798 -704 -111 -369 C +ATOM 819 CD LYS A 102 -12.925 -15.536 -4.096 1.00 37.92 C +ANISOU 819 CD LYS A 102 4780 4974 4653 -1369 317 -589 C +ATOM 820 CE LYS A 102 -12.111 -16.462 -4.971 1.00 32.31 C +ANISOU 820 CE LYS A 102 4004 3134 5140 -969 332 286 C +ATOM 821 NZ LYS A 102 -10.967 -15.766 -5.596 1.00 50.96 N +ANISOU 821 NZ LYS A 102 4988 6244 8130 -1225 2218 643 N +ATOM 822 C LYS A 102 -16.660 -16.811 -1.908 1.00 9.13 C +ANISOU 822 C LYS A 102 755 1233 1479 -49 -260 283 C +ATOM 823 O LYS A 102 -17.706 -16.180 -2.092 1.00 9.52 O +ANISOU 823 O LYS A 102 818 1235 1565 18 -238 80 O +ATOM 824 N TYR A 103 -16.478 -18.049 -2.392 1.00 8.55 N +ANISOU 824 N TYR A 103 453 1322 1475 -72 -17 299 N +ATOM 825 CA TYR A 103 -17.564 -18.709 -3.105 1.00 7.63 C +ANISOU 825 CA TYR A 103 474 1088 1337 72 25 153 C +ATOM 826 CB TYR A 103 -17.048 -19.878 -3.939 1.00 8.02 C +ANISOU 826 CB TYR A 103 632 1309 1105 108 53 163 C +ATOM 827 CG TYR A 103 -16.272 -19.536 -5.212 1.00 8.58 C +ANISOU 827 CG TYR A 103 745 1299 1216 46 87 253 C +ATOM 828 CD1 TYR A 103 -15.870 -18.227 -5.503 1.00 10.07 C +ANISOU 828 CD1 TYR A 103 980 1430 1417 -37 329 116 C +ATOM 829 CD2 TYR A 103 -15.944 -20.522 -6.113 1.00 9.07 C +ANISOU 829 CD2 TYR A 103 851 1341 1255 215 176 277 C +ATOM 830 CE1 TYR A 103 -15.189 -17.924 -6.677 1.00 11.26 C +ANISOU 830 CE1 TYR A 103 1248 1505 1526 -72 233 470 C +ATOM 831 CE2 TYR A 103 -15.225 -20.238 -7.270 1.00 10.11 C +ANISOU 831 CE2 TYR A 103 1122 1756 964 240 140 114 C +ATOM 832 CZ TYR A 103 -14.845 -18.937 -7.549 1.00 11.83 C +ANISOU 832 CZ TYR A 103 1088 2013 1394 15 332 359 C +ATOM 833 OH TYR A 103 -14.120 -18.639 -8.692 1.00 15.12 O +ANISOU 833 OH TYR A 103 1642 2561 1544 -100 590 451 O +ATOM 834 C TYR A 103 -18.655 -19.195 -2.149 1.00 6.48 C +ANISOU 834 C TYR A 103 550 850 1060 115 -37 95 C +ATOM 835 O TYR A 103 -19.828 -19.217 -2.508 1.00 6.82 O +ANISOU 835 O TYR A 103 562 1050 980 56 -32 200 O +ATOM 836 N LEU A 104 -18.278 -19.576 -0.919 1.00 7.33 N +ANISOU 836 N LEU A 104 632 1064 1089 15 -148 141 N +ATOM 837 CA LEU A 104 -19.276 -19.856 0.089 1.00 7.07 C +ANISOU 837 CA LEU A 104 693 933 1060 -142 -228 135 C +ATOM 838 CB LEU A 104 -18.652 -20.512 1.323 1.00 8.59 C +ANISOU 838 CB LEU A 104 816 1235 1214 84 -244 186 C +ATOM 839 CG LEU A 104 -17.929 -21.813 1.072 1.00 9.77 C +ANISOU 839 CG LEU A 104 1005 1172 1536 139 -269 300 C +ATOM 840 CD1 LEU A 104 -17.381 -22.338 2.397 1.00 12.94 C +ANISOU 840 CD1 LEU A 104 1698 1420 1799 -11 -718 395 C +ATOM 841 CD2 LEU A 104 -18.812 -22.817 0.414 1.00 11.34 C +ANISOU 841 CD2 LEU A 104 1283 1153 1874 178 -430 312 C +ATOM 842 C LEU A 104 -20.064 -18.597 0.465 1.00 6.80 C +ANISOU 842 C LEU A 104 762 978 846 -85 -59 236 C +ATOM 843 O LEU A 104 -21.261 -18.687 0.764 1.00 7.50 O +ANISOU 843 O LEU A 104 721 1137 992 -13 -40 185 O +ATOM 844 N GLU A 105 -19.420 -17.420 0.440 1.00 7.21 N +ANISOU 844 N GLU A 105 589 1019 1131 -85 -183 270 N +ATOM 845 CA GLU A 105 -20.123 -16.163 0.600 1.00 7.32 C +ANISOU 845 CA GLU A 105 711 1038 1031 0 -138 147 C +ATOM 846 CB GLU A 105 -19.139 -15.004 0.677 1.00 9.67 C +ANISOU 846 CB GLU A 105 903 1104 1668 -117 -198 -175 C +ATOM 847 CG GLU A 105 -18.293 -14.957 1.947 1.00 10.91 C +ANISOU 847 CG GLU A 105 1203 1400 1542 -121 -229 -25 C +ATOM 848 CD GLU A 105 -17.101 -14.030 1.942 1.00 14.08 C +ANISOU 848 CD GLU A 105 1761 1561 2027 -498 -509 60 C +ATOM 849 OE1 GLU A 105 -16.820 -13.384 0.910 1.00 17.05 O +ANISOU 849 OE1 GLU A 105 2267 2009 2201 -916 -586 324 O +ATOM 850 OE2 GLU A 105 -16.406 -14.023 2.972 1.00 16.62 O +ANISOU 850 OE2 GLU A 105 1658 2370 2285 -517 -723 320 O +ATOM 851 C GLU A 105 -21.135 -15.994 -0.534 1.00 6.73 C +ANISOU 851 C GLU A 105 640 878 1039 -44 -122 174 C +ATOM 852 O GLU A 105 -22.284 -15.625 -0.318 1.00 7.11 O +ANISOU 852 O GLU A 105 650 866 1185 -9 -116 79 O +ATOM 853 N PHE A 106 -20.709 -16.263 -1.772 1.00 6.48 N +ANISOU 853 N PHE A 106 546 857 1058 -92 -65 222 N +ATOM 854 CA PHE A 106 -21.614 -16.122 -2.894 1.00 6.52 C +ANISOU 854 CA PHE A 106 552 872 1052 10 -78 224 C +ATOM 855 CB PHE A 106 -20.903 -16.407 -4.207 1.00 7.02 C +ANISOU 855 CB PHE A 106 703 909 1056 -10 -2 206 C +ATOM 856 CG PHE A 106 -19.793 -15.457 -4.623 1.00 8.16 C +ANISOU 856 CG PHE A 106 810 1021 1268 -113 -103 268 C +ATOM 857 CD1 PHE A 106 -19.734 -14.148 -4.147 1.00 9.76 C +ANISOU 857 CD1 PHE A 106 1033 1208 1468 -294 154 295 C +ATOM 858 CD2 PHE A 106 -18.827 -15.870 -5.520 1.00 9.21 C +ANISOU 858 CD2 PHE A 106 814 1245 1438 -92 110 333 C +ATOM 859 CE1 PHE A 106 -18.709 -13.294 -4.557 1.00 12.79 C +ANISOU 859 CE1 PHE A 106 1364 1583 1913 -631 147 393 C +ATOM 860 CE2 PHE A 106 -17.811 -15.006 -5.927 1.00 11.13 C +ANISOU 860 CE2 PHE A 106 800 1602 1827 -268 9 498 C +ATOM 861 CZ PHE A 106 -17.783 -13.724 -5.463 1.00 12.63 C +ANISOU 861 CZ PHE A 106 1269 1592 1938 -635 146 599 C +ATOM 862 C PHE A 106 -22.835 -17.035 -2.777 1.00 6.03 C +ANISOU 862 C PHE A 106 577 758 957 70 -15 216 C +ATOM 863 O PHE A 106 -23.948 -16.609 -3.071 1.00 6.16 O +ANISOU 863 O PHE A 106 552 748 1038 61 -63 167 O +ATOM 864 N ILE A 107 -22.652 -18.300 -2.374 1.00 5.72 N +ANISOU 864 N ILE A 107 491 728 953 -7 -49 184 N +ATOM 865 CA ILE A 107 -23.829 -19.166 -2.273 1.00 5.32 C +ANISOU 865 CA ILE A 107 511 674 836 14 -8 164 C +ATOM 866 CB ILE A 107 -23.498 -20.672 -2.229 1.00 5.80 C +ANISOU 866 CB ILE A 107 588 715 901 102 26 163 C +ATOM 867 CG1 ILE A 107 -24.717 -21.505 -2.671 1.00 6.37 C +ANISOU 867 CG1 ILE A 107 660 831 927 19 120 53 C +ATOM 868 CG2 ILE A 107 -22.986 -21.125 -0.840 1.00 6.39 C +ANISOU 868 CG2 ILE A 107 560 834 1034 65 -80 293 C +ATOM 869 CD1 ILE A 107 -24.432 -22.995 -2.815 1.00 7.31 C +ANISOU 869 CD1 ILE A 107 928 879 970 104 -94 -26 C +ATOM 870 C ILE A 107 -24.734 -18.706 -1.123 1.00 5.16 C +ANISOU 870 C ILE A 107 541 640 779 -2 -12 168 C +ATOM 871 O ILE A 107 -25.957 -18.847 -1.188 1.00 5.65 O +ANISOU 871 O ILE A 107 531 697 920 42 58 95 O +ATOM 872 N SER A 108 -24.144 -18.177 -0.051 1.00 5.68 N +ANISOU 872 N SER A 108 475 800 883 117 -58 50 N +ATOM 873 CA SER A 108 -24.929 -17.631 1.039 1.00 6.00 C +ANISOU 873 CA SER A 108 639 826 814 49 -37 30 C +ATOM 874 CB SER A 108 -24.009 -17.156 2.171 1.00 6.44 C +ANISOU 874 CB SER A 108 658 907 883 129 -74 -70 C +ATOM 875 OG SER A 108 -23.279 -18.241 2.735 1.00 7.92 O +ANISOU 875 OG SER A 108 938 1112 959 195 -126 135 O +ATOM 876 C SER A 108 -25.814 -16.485 0.561 1.00 6.05 C +ANISOU 876 C SER A 108 620 645 1036 -21 -81 -116 C +ATOM 877 O SER A 108 -26.975 -16.384 0.936 1.00 6.53 O +ANISOU 877 O SER A 108 657 830 995 64 -6 -83 O +ATOM 878 N GLU A 109 -25.242 -15.618 -0.273 1.00 6.68 N +ANISOU 878 N GLU A 109 601 703 1235 28 5 27 N +ATOM 879 CA GLU A 109 -25.994 -14.540 -0.888 1.00 6.51 C +ANISOU 879 CA GLU A 109 702 596 1177 37 36 -40 C +ATOM 880 CB GLU A 109 -25.042 -13.669 -1.709 1.00 9.75 C +ANISOU 880 CB GLU A 109 835 681 2186 -12 182 335 C +ATOM 881 CG GLU A 109 -23.995 -12.979 -0.817 1.00 19.18 C +ANISOU 881 CG GLU A 109 1819 1891 3575 -410 -385 -108 C +ATOM 882 CD GLU A 109 -22.689 -12.474 -1.409 1.00 21.06 C +ANISOU 882 CD GLU A 109 2595 2357 3050 -566 246 -73 C +ATOM 883 OE1 GLU A 109 -22.582 -12.388 -2.654 1.00 24.33 O +ANISOU 883 OE1 GLU A 109 3472 2772 2999 294 1033 718 O +ATOM 884 OE2 GLU A 109 -21.772 -12.153 -0.615 1.00 40.50 O +ANISOU 884 OE2 GLU A 109 2684 4125 8579 -614 -1754 -1450 O +ATOM 885 C GLU A 109 -27.153 -15.073 -1.730 1.00 5.78 C +ANISOU 885 C GLU A 109 648 494 1054 -19 81 142 C +ATOM 886 O GLU A 109 -28.243 -14.529 -1.710 1.00 6.27 O +ANISOU 886 O GLU A 109 670 550 1161 25 -5 116 O +ATOM 887 N ALA A 110 -26.905 -16.138 -2.488 1.00 5.33 N +ANISOU 887 N ALA A 110 474 600 951 -47 3 71 N +ATOM 888 CA ALA A 110 -27.941 -16.721 -3.329 1.00 5.44 C +ANISOU 888 CA ALA A 110 495 668 905 2 -44 132 C +ATOM 889 CB ALA A 110 -27.340 -17.777 -4.245 1.00 5.92 C +ANISOU 889 CB ALA A 110 629 766 855 -49 -9 23 C +ATOM 890 C ALA A 110 -29.077 -17.296 -2.487 1.00 4.85 C +ANISOU 890 C ALA A 110 543 582 716 75 -5 74 C +ATOM 891 O ALA A 110 -30.256 -17.167 -2.837 1.00 5.39 O +ANISOU 891 O ALA A 110 493 685 870 47 -8 106 O +ATOM 892 N ILE A 111 -28.729 -17.985 -1.387 1.00 4.63 N +ANISOU 892 N ILE A 111 408 595 758 51 -33 85 N +ATOM 893 CA ILE A 111 -29.723 -18.514 -0.463 1.00 4.43 C +ANISOU 893 CA ILE A 111 423 604 656 25 -43 35 C +ATOM 894 CB ILE A 111 -29.052 -19.287 0.710 1.00 4.71 C +ANISOU 894 CB ILE A 111 523 530 736 58 -79 47 C +ATOM 895 CG1 ILE A 111 -28.373 -20.546 0.197 1.00 5.71 C +ANISOU 895 CG1 ILE A 111 756 539 873 161 41 168 C +ATOM 896 CG2 ILE A 111 -30.066 -19.591 1.802 1.00 5.86 C +ANISOU 896 CG2 ILE A 111 863 643 721 73 26 76 C +ATOM 897 CD1 ILE A 111 -27.354 -21.117 1.151 1.00 6.24 C +ANISOU 897 CD1 ILE A 111 749 636 986 251 -37 92 C +ATOM 898 C ILE A 111 -30.604 -17.380 0.065 1.00 4.70 C +ANISOU 898 C ILE A 111 539 549 696 43 8 88 C +ATOM 899 O ILE A 111 -31.840 -17.454 0.036 1.00 5.34 O +ANISOU 899 O ILE A 111 524 633 873 64 38 36 O +ATOM 900 N ILE A 112 -29.970 -16.312 0.568 1.00 4.95 N +ANISOU 900 N ILE A 112 505 557 818 80 -53 69 N +ATOM 901 CA ILE A 112 -30.709 -15.165 1.092 1.00 5.09 C +ANISOU 901 CA ILE A 112 596 530 809 44 -1 64 C +ATOM 902 CB ILE A 112 -29.729 -14.176 1.723 1.00 6.15 C +ANISOU 902 CB ILE A 112 735 515 1088 22 -96 -40 C +ATOM 903 CG1 ILE A 112 -29.121 -14.772 3.015 1.00 7.74 C +ANISOU 903 CG1 ILE A 112 994 943 1005 38 -213 -45 C +ATOM 904 CG2 ILE A 112 -30.376 -12.827 1.984 1.00 7.52 C +ANISOU 904 CG2 ILE A 112 694 736 1427 89 -160 -412 C +ATOM 905 CD1 ILE A 112 -27.968 -13.962 3.589 1.00 9.47 C +ANISOU 905 CD1 ILE A 112 930 1259 1410 115 -318 -224 C +ATOM 906 C ILE A 112 -31.605 -14.545 0.028 1.00 5.24 C +ANISOU 906 C ILE A 112 549 461 981 34 -52 127 C +ATOM 907 O ILE A 112 -32.754 -14.208 0.302 1.00 5.94 O +ANISOU 907 O ILE A 112 564 609 1082 50 16 -25 O +ATOM 908 N HIS A 113 -31.091 -14.391 -1.199 1.00 5.64 N +ANISOU 908 N HIS A 113 539 591 1011 -27 -37 201 N +ATOM 909 CA HIS A 113 -31.873 -13.805 -2.275 1.00 6.06 C +ANISOU 909 CA HIS A 113 644 604 1054 68 -26 234 C +ATOM 910 CB HIS A 113 -31.010 -13.748 -3.545 1.00 8.71 C +ANISOU 910 CB HIS A 113 775 1174 1361 -25 182 568 C +ATOM 911 CG HIS A 113 -31.691 -13.246 -4.779 1.00 14.75 C +ANISOU 911 CG HIS A 113 832 2627 2145 262 13 1330 C +ATOM 912 ND1 HIS A 113 -31.618 -11.939 -5.112 1.00 19.97 N +ANISOU 912 ND1 HIS A 113 2764 2339 2486 1264 219 1321 N +ATOM 913 CE1 HIS A 113 -32.362 -11.761 -6.199 1.00 27.23 C +ANISOU 913 CE1 HIS A 113 2562 3647 4139 246 -459 3525 C +ATOM 914 NE2 HIS A 113 -32.915 -12.915 -6.572 1.00 23.15 N +ANISOU 914 NE2 HIS A 113 2131 4307 2356 927 43 1931 N +ATOM 915 CD2 HIS A 113 -32.525 -13.867 -5.647 1.00 16.32 C +ANISOU 915 CD2 HIS A 113 1475 2683 2042 152 138 1275 C +ATOM 916 C HIS A 113 -33.141 -14.613 -2.561 1.00 5.21 C +ANISOU 916 C HIS A 113 569 630 779 120 70 53 C +ATOM 917 O HIS A 113 -34.233 -14.057 -2.694 1.00 5.89 O +ANISOU 917 O HIS A 113 582 687 967 151 -23 142 O +ATOM 918 N VAL A 114 -32.994 -15.935 -2.682 1.00 4.96 N +ANISOU 918 N VAL A 114 510 604 770 95 2 45 N +ATOM 919 CA VAL A 114 -34.130 -16.785 -2.999 1.00 4.96 C +ANISOU 919 CA VAL A 114 574 656 656 71 -144 124 C +ATOM 920 CB VAL A 114 -33.645 -18.195 -3.407 1.00 5.63 C +ANISOU 920 CB VAL A 114 739 721 681 66 -70 39 C +ATOM 921 CG1 VAL A 114 -34.812 -19.157 -3.517 1.00 5.88 C +ANISOU 921 CG1 VAL A 114 762 701 769 70 12 -73 C +ATOM 922 CG2 VAL A 114 -32.901 -18.117 -4.730 1.00 6.84 C +ANISOU 922 CG2 VAL A 114 740 976 884 79 112 97 C +ATOM 923 C VAL A 114 -35.147 -16.812 -1.867 1.00 4.70 C +ANISOU 923 C VAL A 114 557 501 727 85 -110 55 C +ATOM 924 O VAL A 114 -36.361 -16.772 -2.105 1.00 5.59 O +ANISOU 924 O VAL A 114 542 793 790 92 -131 -43 O +ATOM 925 N LEU A 115 -34.677 -16.899 -0.615 1.00 4.65 N +ANISOU 925 N LEU A 115 482 575 711 24 -51 27 N +ATOM 926 CA LEU A 115 -35.609 -16.890 0.504 1.00 4.87 C +ANISOU 926 CA LEU A 115 608 546 695 -17 1 -14 C +ATOM 927 CB LEU A 115 -34.903 -17.219 1.823 1.00 5.10 C +ANISOU 927 CB LEU A 115 559 607 773 9 -3 87 C +ATOM 928 CG LEU A 115 -34.280 -18.600 1.905 1.00 7.55 C +ANISOU 928 CG LEU A 115 1152 732 983 251 -60 63 C +ATOM 929 CD1 LEU A 115 -33.640 -18.832 3.221 1.00 8.82 C +ANISOU 929 CD1 LEU A 115 1382 971 999 503 -61 234 C +ATOM 930 CD2 LEU A 115 -35.244 -19.664 1.651 1.00 10.77 C +ANISOU 930 CD2 LEU A 115 1244 856 1990 79 -308 534 C +ATOM 931 C LEU A 115 -36.345 -15.549 0.587 1.00 4.96 C +ANISOU 931 C LEU A 115 581 615 690 8 -47 37 C +ATOM 932 O LEU A 115 -37.534 -15.486 0.871 1.00 5.59 O +ANISOU 932 O LEU A 115 546 727 849 10 -46 39 O +ATOM 933 N HIS A 116 -35.626 -14.454 0.324 1.00 5.06 N +ANISOU 933 N HIS A 116 580 494 847 36 -40 -31 N +ATOM 934 CA HIS A 116 -36.247 -13.138 0.327 1.00 5.78 C +ANISOU 934 CA HIS A 116 752 509 935 103 -77 44 C +ATOM 935 CB HIS A 116 -35.168 -12.068 0.124 1.00 6.88 C +ANISOU 935 CB HIS A 116 664 573 1376 85 -216 -32 C +ATOM 936 CG HIS A 116 -35.691 -10.669 0.006 1.00 6.68 C +ANISOU 936 CG HIS A 116 706 506 1326 -12 -206 21 C +ATOM 937 ND1 HIS A 116 -36.065 -10.143 -1.221 1.00 9.55 N +ANISOU 937 ND1 HIS A 116 1443 809 1376 183 -64 214 N +ATOM 938 CE1 HIS A 116 -36.510 -8.928 -0.980 1.00 11.55 C +ANISOU 938 CE1 HIS A 116 1537 771 2080 91 -388 31 C +ATOM 939 NE2 HIS A 116 -36.444 -8.647 0.316 1.00 10.60 N +ANISOU 939 NE2 HIS A 116 1368 515 2146 132 -315 -11 N +ATOM 940 CD2 HIS A 116 -35.928 -9.759 0.949 1.00 9.93 C +ANISOU 940 CD2 HIS A 116 1717 686 1371 214 -387 -113 C +ATOM 941 C HIS A 116 -37.353 -13.046 -0.722 1.00 5.91 C +ANISOU 941 C HIS A 116 629 699 918 48 -32 73 C +ATOM 942 O HIS A 116 -38.428 -12.493 -0.466 1.00 6.99 O +ANISOU 942 O HIS A 116 717 790 1147 221 -27 113 O +ATOM 943 N SER A 117 -37.106 -13.600 -1.917 1.00 5.23 N +ANISOU 943 N SER A 117 524 595 868 28 -138 78 N +ATOM 944 CA SER A 117 -38.063 -13.558 -3.005 1.00 6.58 C +ANISOU 944 CA SER A 117 607 849 1043 -27 -254 343 C +ATOM 945 CB SER A 117 -37.380 -13.991 -4.310 1.00 8.76 C +ANISOU 945 CB SER A 117 950 1570 808 -595 -59 320 C +ATOM 946 OG SER A 117 -38.275 -13.989 -5.398 1.00 11.81 O +ANISOU 946 OG SER A 117 1343 2004 1140 -75 -327 205 O +ATOM 947 C SER A 117 -39.272 -14.449 -2.748 1.00 4.76 C +ANISOU 947 C SER A 117 537 686 585 83 -101 153 C +ATOM 948 O SER A 117 -40.412 -14.061 -2.973 1.00 6.20 O +ANISOU 948 O SER A 117 571 713 1070 94 -224 196 O +ATOM 949 N ARG A 118 -39.015 -15.680 -2.321 1.00 4.65 N +ANISOU 949 N ARG A 118 437 615 713 58 -31 115 N +ATOM 950 CA ARG A 118 -40.077 -16.663 -2.194 1.00 4.36 C +ANISOU 950 CA ARG A 118 476 540 639 54 -79 90 C +ATOM 951 CB ARG A 118 -39.523 -18.089 -2.249 1.00 5.98 C +ANISOU 951 CB ARG A 118 820 571 882 124 -74 31 C +ATOM 952 CG ARG A 118 -39.125 -18.577 -3.640 1.00 8.20 C +ANISOU 952 CG ARG A 118 1030 1066 1018 413 -266 -349 C +ATOM 953 CD ARG A 118 -38.540 -19.957 -3.475 1.00 10.23 C +ANISOU 953 CD ARG A 118 864 949 2073 312 -141 -387 C +ATOM 954 NE ARG A 118 -38.497 -20.790 -4.655 1.00 13.75 N +ANISOU 954 NE ARG A 118 2312 886 2028 67 -562 -213 N +ATOM 955 CZ ARG A 118 -39.230 -21.862 -4.975 1.00 8.35 C +ANISOU 955 CZ ARG A 118 1193 712 1265 111 -297 180 C +ATOM 956 NH1 ARG A 118 -40.283 -22.297 -4.294 1.00 9.89 N +ANISOU 956 NH1 ARG A 118 1519 1234 1006 620 107 26 N +ATOM 957 NH2 ARG A 118 -38.882 -22.514 -6.052 1.00 11.14 N +ANISOU 957 NH2 ARG A 118 1218 1510 1503 318 412 17 N +ATOM 958 C ARG A 118 -40.890 -16.527 -0.913 1.00 4.80 C +ANISOU 958 C ARG A 118 443 688 692 44 -56 47 C +ATOM 959 O ARG A 118 -42.061 -16.910 -0.901 1.00 5.41 O +ANISOU 959 O ARG A 118 496 853 706 -67 -7 35 O +ATOM 960 N HIS A 119 -40.259 -16.081 0.177 1.00 4.70 N +ANISOU 960 N HIS A 119 470 723 592 40 25 18 N +ATOM 961 CA HIS A 119 -40.812 -16.209 1.516 1.00 4.19 C +ANISOU 961 CA HIS A 119 365 669 560 10 -17 -5 C +ATOM 962 CB HIS A 119 -40.032 -17.274 2.330 1.00 5.31 C +ANISOU 962 CB HIS A 119 592 759 667 23 -81 92 C +ATOM 963 CG HIS A 119 -40.242 -18.629 1.731 1.00 4.91 C +ANISOU 963 CG HIS A 119 494 653 716 12 35 152 C +ATOM 964 ND1 HIS A 119 -41.484 -19.153 1.670 1.00 5.70 N +ANISOU 964 ND1 HIS A 119 525 690 952 0 -18 93 N +ATOM 965 CE1 HIS A 119 -41.378 -20.293 0.993 1.00 5.44 C +ANISOU 965 CE1 HIS A 119 523 639 903 -29 -37 140 C +ATOM 966 NE2 HIS A 119 -40.116 -20.504 0.620 1.00 5.40 N +ANISOU 966 NE2 HIS A 119 559 752 741 -53 -15 84 N +ATOM 967 CD2 HIS A 119 -39.392 -19.446 1.077 1.00 5.17 C +ANISOU 967 CD2 HIS A 119 409 724 829 -44 50 80 C +ATOM 968 C HIS A 119 -40.898 -14.902 2.286 1.00 4.72 C +ANISOU 968 C HIS A 119 555 662 576 61 -36 -41 C +ATOM 969 O HIS A 119 -40.466 -14.813 3.441 1.00 5.36 O +ANISOU 969 O HIS A 119 577 826 632 27 -109 -79 O +ATOM 970 N PRO A 120 -41.531 -13.850 1.725 1.00 5.22 N +ANISOU 970 N PRO A 120 545 684 755 44 -141 -10 N +ATOM 971 CA PRO A 120 -41.660 -12.614 2.500 1.00 6.01 C +ANISOU 971 CA PRO A 120 733 635 916 12 -10 -4 C +ATOM 972 CB PRO A 120 -42.367 -11.677 1.543 1.00 6.97 C +ANISOU 972 CB PRO A 120 950 689 1009 61 -57 87 C +ATOM 973 CG PRO A 120 -43.114 -12.604 0.594 1.00 6.92 C +ANISOU 973 CG PRO A 120 811 879 938 175 -128 22 C +ATOM 974 CD PRO A 120 -42.164 -13.779 0.401 1.00 5.97 C +ANISOU 974 CD PRO A 120 752 741 774 64 -185 48 C +ATOM 975 C PRO A 120 -42.413 -12.804 3.815 1.00 5.75 C +ANISOU 975 C PRO A 120 674 658 853 115 -24 -57 C +ATOM 976 O PRO A 120 -42.183 -12.051 4.764 1.00 8.00 O +ANISOU 976 O PRO A 120 1170 899 968 -225 60 -205 O +ATOM 977 N GLY A 121 -43.284 -13.821 3.898 1.00 5.74 N +ANISOU 977 N GLY A 121 609 781 790 78 -12 -176 N +ATOM 978 CA GLY A 121 -44.002 -14.085 5.135 1.00 6.27 C +ANISOU 978 CA GLY A 121 553 940 888 33 18 -106 C +ATOM 979 C GLY A 121 -43.163 -14.606 6.294 1.00 6.35 C +ANISOU 979 C GLY A 121 690 870 852 -22 53 -35 C +ATOM 980 O GLY A 121 -43.573 -14.526 7.454 1.00 7.73 O +ANISOU 980 O GLY A 121 778 1361 800 48 27 -63 O +ATOM 981 N ASP A 122 -42.016 -15.208 5.967 1.00 5.82 N +ANISOU 981 N ASP A 122 719 839 651 55 -13 -40 N +ATOM 982 CA ASP A 122 -41.131 -15.773 6.972 1.00 5.86 C +ANISOU 982 CA ASP A 122 671 820 736 35 -26 0 C +ATOM 983 CB ASP A 122 -41.169 -17.305 6.957 1.00 7.04 C +ANISOU 983 CB ASP A 122 750 890 1034 -168 -57 67 C +ATOM 984 CG ASP A 122 -42.477 -17.823 7.472 1.00 8.23 C +ANISOU 984 CG ASP A 122 855 1018 1254 -65 305 57 C +ATOM 985 OD1 ASP A 122 -42.658 -17.812 8.747 1.00 10.48 O +ANISOU 985 OD1 ASP A 122 1094 1618 1269 -221 207 89 O +ATOM 986 OD2 ASP A 122 -43.363 -18.162 6.610 1.00 11.01 O +ANISOU 986 OD2 ASP A 122 891 1296 1996 -127 -166 333 O +ATOM 987 C ASP A 122 -39.691 -15.289 6.803 1.00 5.53 C +ANISOU 987 C ASP A 122 649 682 771 65 -62 -60 C +ATOM 988 O ASP A 122 -38.770 -15.848 7.389 1.00 6.90 O +ANISOU 988 O ASP A 122 791 810 1021 2 -232 149 O +ATOM 989 N PHE A 123 -39.493 -14.208 6.039 1.00 5.95 N +ANISOU 989 N PHE A 123 562 876 821 76 -124 135 N +ATOM 990 CA PHE A 123 -38.152 -13.726 5.740 1.00 5.70 C +ANISOU 990 CA PHE A 123 503 758 905 112 -171 44 C +ATOM 991 CB PHE A 123 -37.572 -14.359 4.479 1.00 5.84 C +ANISOU 991 CB PHE A 123 583 731 905 -96 -95 54 C +ATOM 992 CG PHE A 123 -36.072 -14.528 4.527 1.00 5.34 C +ANISOU 992 CG PHE A 123 606 661 760 -26 -130 -16 C +ATOM 993 CD1 PHE A 123 -35.494 -15.463 5.370 1.00 5.67 C +ANISOU 993 CD1 PHE A 123 693 532 930 -79 -170 34 C +ATOM 994 CD2 PHE A 123 -35.241 -13.770 3.718 1.00 5.75 C +ANISOU 994 CD2 PHE A 123 688 766 730 -78 -195 51 C +ATOM 995 CE1 PHE A 123 -34.133 -15.657 5.377 1.00 6.23 C +ANISOU 995 CE1 PHE A 123 708 636 1021 -1 -240 50 C +ATOM 996 CE2 PHE A 123 -33.870 -13.997 3.705 1.00 6.30 C +ANISOU 996 CE2 PHE A 123 681 863 848 -185 -35 72 C +ATOM 997 CZ PHE A 123 -33.326 -14.928 4.537 1.00 6.27 C +ANISOU 997 CZ PHE A 123 696 797 891 -19 -121 -100 C +ATOM 998 C PHE A 123 -38.160 -12.203 5.694 1.00 6.02 C +ANISOU 998 C PHE A 123 614 795 879 139 -248 96 C +ATOM 999 O PHE A 123 -37.605 -11.586 4.781 1.00 6.87 O +ANISOU 999 O PHE A 123 877 710 1022 13 -144 109 O +ATOM 1000 N GLY A 124 -38.794 -11.606 6.710 1.00 7.30 N +ANISOU 1000 N GLY A 124 712 896 1165 119 -38 30 N +ATOM 1001 CA GLY A 124 -38.630 -10.190 6.970 1.00 8.95 C +ANISOU 1001 CA GLY A 124 1033 967 1401 296 -320 -229 C +ATOM 1002 C GLY A 124 -37.239 -9.900 7.523 1.00 7.23 C +ANISOU 1002 C GLY A 124 958 694 1093 275 -145 -160 C +ATOM 1003 O GLY A 124 -36.359 -10.747 7.536 1.00 6.66 O +ANISOU 1003 O GLY A 124 935 605 992 258 -76 -64 O +ATOM 1004 N ALA A 125 -37.030 -8.664 7.956 1.00 8.74 N +ANISOU 1004 N ALA A 125 997 689 1635 560 -277 -346 N +ATOM 1005 CA ALA A 125 -35.690 -8.202 8.285 1.00 8.65 C +ANISOU 1005 CA ALA A 125 1149 663 1475 249 -218 -210 C +ATOM 1006 CB ALA A 125 -35.692 -6.715 8.609 1.00 10.03 C +ANISOU 1006 CB ALA A 125 1501 702 1610 299 -542 -270 C +ATOM 1007 C ALA A 125 -35.057 -9.006 9.423 1.00 7.72 C +ANISOU 1007 C ALA A 125 1164 492 1277 234 -66 -232 C +ATOM 1008 O ALA A 125 -33.901 -9.427 9.329 1.00 8.02 O +ANISOU 1008 O ALA A 125 1054 607 1384 195 -163 -234 O +ATOM 1009 N ASP A 126 -35.797 -9.240 10.503 1.00 7.76 N +ANISOU 1009 N ASP A 126 906 773 1269 333 -199 -245 N +ATOM 1010 CA ASP A 126 -35.245 -9.986 11.618 1.00 8.85 C +ANISOU 1010 CA ASP A 126 1396 904 1061 378 -244 -268 C +ATOM 1011 CB ASP A 126 -36.214 -9.988 12.818 1.00 11.33 C +ANISOU 1011 CB ASP A 126 1648 1684 974 727 -243 -143 C +ATOM 1012 CG ASP A 126 -36.336 -8.647 13.548 1.00 18.51 C +ANISOU 1012 CG ASP A 126 2657 2306 2068 941 -512 -882 C +ATOM 1013 OD1 ASP A 126 -35.514 -7.758 13.300 1.00 18.76 O +ANISOU 1013 OD1 ASP A 126 3398 1802 1927 1142 -351 -949 O +ATOM 1014 OD2 ASP A 126 -37.246 -8.512 14.370 1.00 32.32 O +ANISOU 1014 OD2 ASP A 126 4110 4972 3197 1748 752 -1768 O +ATOM 1015 C ASP A 126 -34.902 -11.416 11.210 1.00 6.87 C +ANISOU 1015 C ASP A 126 952 835 823 203 -209 -164 C +ATOM 1016 O ASP A 126 -33.847 -11.940 11.566 1.00 6.99 O +ANISOU 1016 O ASP A 126 955 827 873 239 -205 -200 O +ATOM 1017 N ALA A 127 -35.776 -12.045 10.432 1.00 6.64 N +ANISOU 1017 N ALA A 127 855 838 829 218 -153 -161 N +ATOM 1018 CA ALA A 127 -35.518 -13.398 9.979 1.00 6.46 C +ANISOU 1018 CA ALA A 127 1026 765 663 98 -145 -128 C +ATOM 1019 CB ALA A 127 -36.751 -13.954 9.288 1.00 7.35 C +ANISOU 1019 CB ALA A 127 896 962 934 111 -117 -107 C +ATOM 1020 C ALA A 127 -34.313 -13.468 9.046 1.00 5.57 C +ANISOU 1020 C ALA A 127 838 591 689 118 -212 -59 C +ATOM 1021 O ALA A 127 -33.513 -14.398 9.126 1.00 6.00 O +ANISOU 1021 O ALA A 127 826 522 931 79 -136 19 O +ATOM 1022 N GLN A 128 -34.189 -12.505 8.142 1.00 5.77 N +ANISOU 1022 N GLN A 128 723 616 854 170 -112 13 N +ATOM 1023 CA GLN A 128 -33.026 -12.458 7.275 1.00 6.05 C +ANISOU 1023 CA GLN A 128 861 617 821 163 -40 51 C +ATOM 1024 CB GLN A 128 -33.175 -11.399 6.191 1.00 6.26 C +ANISOU 1024 CB GLN A 128 1008 589 783 194 -69 16 C +ATOM 1025 CG GLN A 128 -31.951 -11.312 5.306 1.00 6.89 C +ANISOU 1025 CG GLN A 128 1189 582 848 137 73 109 C +ATOM 1026 CD GLN A 128 -32.136 -10.428 4.095 1.00 7.25 C +ANISOU 1026 CD GLN A 128 1339 542 872 307 38 58 C +ATOM 1027 OE1 GLN A 128 -33.254 -10.258 3.585 1.00 9.28 O +ANISOU 1027 OE1 GLN A 128 1506 955 1064 478 -151 151 O +ATOM 1028 NE2 GLN A 128 -31.068 -9.847 3.609 1.00 8.74 N +ANISOU 1028 NE2 GLN A 128 1896 415 1009 72 296 172 N +ATOM 1029 C GLN A 128 -31.742 -12.255 8.083 1.00 5.81 C +ANISOU 1029 C GLN A 128 779 425 1001 122 25 1 C +ATOM 1030 O GLN A 128 -30.713 -12.882 7.814 1.00 6.46 O +ANISOU 1030 O GLN A 128 830 591 1035 231 17 105 O +ATOM 1031 N GLY A 129 -31.799 -11.398 9.111 1.00 5.98 N +ANISOU 1031 N GLY A 129 844 420 1008 149 -90 -30 N +ATOM 1032 CA GLY A 129 -30.636 -11.202 9.972 1.00 6.61 C +ANISOU 1032 CA GLY A 129 842 496 1173 62 -107 -16 C +ATOM 1033 C GLY A 129 -30.220 -12.506 10.648 1.00 6.14 C +ANISOU 1033 C GLY A 129 849 517 969 162 -128 -109 C +ATOM 1034 O GLY A 129 -29.040 -12.833 10.759 1.00 6.79 O +ANISOU 1034 O GLY A 129 787 621 1172 122 -81 -93 O +ATOM 1035 N ALA A 130 -31.214 -13.266 11.129 1.00 5.70 N +ANISOU 1035 N ALA A 130 734 550 879 173 -173 -104 N +ATOM 1036 CA ALA A 130 -30.934 -14.546 11.775 1.00 5.86 C +ANISOU 1036 CA ALA A 130 873 584 767 134 -201 -70 C +ATOM 1037 CB ALA A 130 -32.184 -15.109 12.403 1.00 6.84 C +ANISOU 1037 CB ALA A 130 1030 623 947 128 -16 -57 C +ATOM 1038 C ALA A 130 -30.290 -15.539 10.806 1.00 5.34 C +ANISOU 1038 C ALA A 130 661 561 808 71 -121 -32 C +ATOM 1039 O ALA A 130 -29.327 -16.226 11.149 1.00 5.52 O +ANISOU 1039 O ALA A 130 695 627 773 142 -65 -14 O +ATOM 1040 N MET A 131 -30.842 -15.645 9.597 1.00 5.30 N +ANISOU 1040 N MET A 131 778 528 708 127 -70 -14 N +ATOM 1041 CA MET A 131 -30.267 -16.520 8.592 1.00 5.27 C +ANISOU 1041 CA MET A 131 768 510 723 78 -102 -38 C +ATOM 1042 CB MET A 131 -31.171 -16.588 7.362 1.00 5.32 C +ANISOU 1042 CB MET A 131 638 596 786 148 -107 -45 C +ATOM 1043 CG MET A 131 -30.632 -17.510 6.269 1.00 5.72 C +ANISOU 1043 CG MET A 131 754 732 687 48 13 -30 C +ATOM 1044 SD MET A 131 -30.493 -19.254 6.730 1.00 6.88 S +ANISOU 1044 SD MET A 131 962 694 958 139 -137 -90 S +ATOM 1045 CE MET A 131 -32.210 -19.741 6.679 1.00 7.69 C +ANISOU 1045 CE MET A 131 1094 969 860 -93 -124 104 C +ATOM 1046 C MET A 131 -28.849 -16.079 8.225 1.00 5.19 C +ANISOU 1046 C MET A 131 725 517 732 153 -65 136 C +ATOM 1047 O MET A 131 -27.953 -16.919 8.089 1.00 5.79 O +ANISOU 1047 O MET A 131 802 518 879 185 -80 103 O +ATOM 1048 N ASN A 132 -28.637 -14.769 8.043 1.00 5.47 N +ANISOU 1048 N ASN A 132 680 481 915 218 -41 60 N +ATOM 1049 CA ASN A 132 -27.284 -14.313 7.793 1.00 5.88 C +ANISOU 1049 CA ASN A 132 728 600 908 161 -10 91 C +ATOM 1050 CB ASN A 132 -27.262 -12.801 7.569 1.00 7.29 C +ANISOU 1050 CB ASN A 132 773 616 1381 232 -132 226 C +ATOM 1051 CG ASN A 132 -25.853 -12.323 7.409 1.00 8.47 C +ANISOU 1051 CG ASN A 132 975 667 1576 77 -122 575 C +ATOM 1052 OD1 ASN A 132 -25.135 -12.776 6.517 1.00 10.84 O +ANISOU 1052 OD1 ASN A 132 914 898 2305 87 304 576 O +ATOM 1053 ND2 ASN A 132 -25.427 -11.431 8.264 1.00 11.90 N +ANISOU 1053 ND2 ASN A 132 1153 1002 2365 -143 -420 268 N +ATOM 1054 C ASN A 132 -26.335 -14.733 8.915 1.00 5.44 C +ANISOU 1054 C ASN A 132 674 422 970 27 -71 22 C +ATOM 1055 O ASN A 132 -25.214 -15.179 8.662 1.00 6.57 O +ANISOU 1055 O ASN A 132 782 596 1120 173 -50 48 O +ATOM 1056 N LYS A 133 -26.778 -14.580 10.171 1.00 5.92 N +ANISOU 1056 N LYS A 133 765 517 969 150 -79 -22 N +ATOM 1057 CA LYS A 133 -25.931 -14.983 11.279 1.00 6.89 C +ANISOU 1057 CA LYS A 133 886 747 984 -46 -190 -6 C +ATOM 1058 CB LYS A 133 -26.594 -14.612 12.603 1.00 9.06 C +ANISOU 1058 CB LYS A 133 1053 1153 1238 96 -46 -279 C +ATOM 1059 CG LYS A 133 -25.689 -14.512 13.784 1.00 12.51 C +ANISOU 1059 CG LYS A 133 1685 1732 1336 163 -246 225 C +ATOM 1060 CD LYS A 133 -26.448 -13.827 14.968 1.00 15.65 C +ANISOU 1060 CD LYS A 133 2485 2212 1250 -790 202 -415 C +ATOM 1061 CE LYS A 133 -25.690 -14.018 16.207 1.00 19.03 C +ANISOU 1061 CE LYS A 133 2819 2378 2032 -622 -388 -474 C +ATOM 1062 NZ LYS A 133 -26.412 -13.483 17.381 1.00 23.27 N +ANISOU 1062 NZ LYS A 133 2550 3250 3040 -258 -156 -1199 N +ATOM 1063 C LYS A 133 -25.595 -16.471 11.227 1.00 5.98 C +ANISOU 1063 C LYS A 133 734 792 745 111 -123 51 C +ATOM 1064 O LYS A 133 -24.458 -16.867 11.489 1.00 6.80 O +ANISOU 1064 O LYS A 133 854 886 843 263 -237 4 O +ATOM 1065 N ALA A 134 -26.590 -17.302 10.934 1.00 5.24 N +ANISOU 1065 N ALA A 134 635 588 766 196 17 26 N +ATOM 1066 CA ALA A 134 -26.356 -18.733 10.812 1.00 5.81 C +ANISOU 1066 CA ALA A 134 834 614 758 228 -85 -22 C +ATOM 1067 CB ALA A 134 -27.671 -19.479 10.612 1.00 6.27 C +ANISOU 1067 CB ALA A 134 889 589 906 166 36 73 C +ATOM 1068 C ALA A 134 -25.371 -19.066 9.704 1.00 5.62 C +ANISOU 1068 C ALA A 134 757 633 745 218 -75 71 C +ATOM 1069 O ALA A 134 -24.500 -19.925 9.871 1.00 6.88 O +ANISOU 1069 O ALA A 134 977 754 882 404 -101 39 O +ATOM 1070 N LEU A 135 -25.530 -18.427 8.541 1.00 5.59 N +ANISOU 1070 N LEU A 135 748 635 742 194 -24 101 N +ATOM 1071 CA LEU A 135 -24.651 -18.700 7.416 1.00 5.89 C +ANISOU 1071 CA LEU A 135 781 709 750 179 -34 -8 C +ATOM 1072 CB LEU A 135 -25.240 -18.153 6.122 1.00 6.19 C +ANISOU 1072 CB LEU A 135 672 926 752 187 16 85 C +ATOM 1073 CG LEU A 135 -26.564 -18.803 5.685 1.00 6.26 C +ANISOU 1073 CG LEU A 135 720 908 751 186 3 1 C +ATOM 1074 CD1 LEU A 135 -27.134 -18.108 4.485 1.00 7.61 C +ANISOU 1074 CD1 LEU A 135 875 1242 773 42 -27 181 C +ATOM 1075 CD2 LEU A 135 -26.404 -20.285 5.411 1.00 11.19 C +ANISOU 1075 CD2 LEU A 135 1443 1015 1794 279 -331 -264 C +ATOM 1076 C LEU A 135 -23.242 -18.166 7.697 1.00 6.24 C +ANISOU 1076 C LEU A 135 749 715 907 219 -83 71 C +ATOM 1077 O LEU A 135 -22.253 -18.783 7.303 1.00 6.52 O +ANISOU 1077 O LEU A 135 736 846 894 250 -37 78 O +ATOM 1078 N GLU A 136 -23.124 -17.026 8.387 1.00 6.38 N +ANISOU 1078 N GLU A 136 714 641 1069 148 -87 115 N +ATOM 1079 CA GLU A 136 -21.836 -16.519 8.799 1.00 7.42 C +ANISOU 1079 CA GLU A 136 729 759 1330 76 -65 201 C +ATOM 1080 CB GLU A 136 -22.008 -15.146 9.439 1.00 8.94 C +ANISOU 1080 CB GLU A 136 662 967 1767 10 -354 -96 C +ATOM 1081 CG GLU A 136 -22.184 -13.983 8.500 1.00 16.77 C +ANISOU 1081 CG GLU A 136 1560 2255 2559 85 -355 934 C +ATOM 1082 CD GLU A 136 -22.099 -12.623 9.140 1.00 59.90 C +ANISOU 1082 CD GLU A 136 13108 1756 7895 1790 -1306 2627 C +ATOM 1083 OE1 GLU A 136 -21.799 -12.534 10.349 1.00 60.00 O +ANISOU 1083 OE1 GLU A 136 10946 3760 8090 326 745 1087 O +ATOM 1084 OE2 GLU A 136 -22.334 -11.644 8.402 1.00 25.83 O +ANISOU 1084 OE2 GLU A 136 1819 2752 5244 -573 -442 -355 O +ATOM 1085 C GLU A 136 -21.131 -17.485 9.752 1.00 6.80 C +ANISOU 1085 C GLU A 136 733 839 1013 146 -142 -18 C +ATOM 1086 O GLU A 136 -19.915 -17.685 9.654 1.00 7.56 O +ANISOU 1086 O GLU A 136 741 874 1257 208 -128 3 O +ATOM 1087 N LEU A 137 -21.889 -18.044 10.706 1.00 6.33 N +ANISOU 1087 N LEU A 137 717 675 1015 321 -88 5 N +ATOM 1088 CA LEU A 137 -21.340 -19.014 11.644 1.00 6.71 C +ANISOU 1088 CA LEU A 137 807 830 913 324 -247 -23 C +ATOM 1089 CB LEU A 137 -22.401 -19.440 12.653 1.00 7.22 C +ANISOU 1089 CB LEU A 137 822 975 945 345 -133 -83 C +ATOM 1090 CG LEU A 137 -21.994 -20.550 13.607 1.00 7.66 C +ANISOU 1090 CG LEU A 137 1054 833 1024 222 -73 -37 C +ATOM 1091 CD1 LEU A 137 -20.838 -20.131 14.533 1.00 10.58 C +ANISOU 1091 CD1 LEU A 137 1299 1557 1165 -24 -338 259 C +ATOM 1092 CD2 LEU A 137 -23.186 -20.994 14.429 1.00 8.81 C +ANISOU 1092 CD2 LEU A 137 1118 1308 923 370 -11 52 C +ATOM 1093 C LEU A 137 -20.808 -20.226 10.874 1.00 6.44 C +ANISOU 1093 C LEU A 137 916 645 888 215 -146 47 C +ATOM 1094 O LEU A 137 -19.709 -20.719 11.123 1.00 7.46 O +ANISOU 1094 O LEU A 137 940 968 926 339 -138 -40 O +ATOM 1095 N PHE A 138 -21.621 -20.731 9.942 1.00 6.63 N +ANISOU 1095 N PHE A 138 766 867 884 299 -103 -7 N +ATOM 1096 CA PHE A 138 -21.235 -21.856 9.095 1.00 6.64 C +ANISOU 1096 CA PHE A 138 902 671 948 138 -45 78 C +ATOM 1097 CB PHE A 138 -22.377 -22.145 8.113 1.00 8.44 C +ANISOU 1097 CB PHE A 138 1021 949 1235 82 -226 -151 C +ATOM 1098 CG PHE A 138 -22.069 -22.978 6.901 1.00 9.46 C +ANISOU 1098 CG PHE A 138 1275 1045 1276 169 -158 -173 C +ATOM 1099 CD1 PHE A 138 -21.901 -24.344 7.007 1.00 11.38 C +ANISOU 1099 CD1 PHE A 138 1815 1086 1423 219 144 10 C +ATOM 1100 CD2 PHE A 138 -21.909 -22.391 5.650 1.00 11.01 C +ANISOU 1100 CD2 PHE A 138 1575 1259 1348 -73 -379 -68 C +ATOM 1101 CE1 PHE A 138 -21.604 -25.111 5.896 1.00 14.80 C +ANISOU 1101 CE1 PHE A 138 3124 934 1564 652 227 -32 C +ATOM 1102 CE2 PHE A 138 -21.636 -23.183 4.529 1.00 14.23 C +ANISOU 1102 CE2 PHE A 138 2854 1471 1082 508 -120 168 C +ATOM 1103 CZ PHE A 138 -21.473 -24.531 4.674 1.00 15.16 C +ANISOU 1103 CZ PHE A 138 2899 1474 1387 352 341 -49 C +ATOM 1104 C PHE A 138 -19.923 -21.552 8.366 1.00 6.45 C +ANISOU 1104 C PHE A 138 727 886 839 284 -125 61 C +ATOM 1105 O PHE A 138 -18.980 -22.350 8.376 1.00 7.12 O +ANISOU 1105 O PHE A 138 777 856 1073 310 -205 67 O +ATOM 1106 N ARG A 139 -19.844 -20.374 7.731 1.00 6.42 N +ANISOU 1106 N ARG A 139 623 817 1000 331 -13 62 N +ATOM 1107 CA ARG A 139 -18.636 -20.025 6.988 1.00 6.94 C +ANISOU 1107 CA ARG A 139 703 849 1085 178 81 58 C +ATOM 1108 CB ARG A 139 -18.845 -18.761 6.170 1.00 7.84 C +ANISOU 1108 CB ARG A 139 798 1079 1102 238 140 199 C +ATOM 1109 CG ARG A 139 -19.855 -18.902 5.054 1.00 8.10 C +ANISOU 1109 CG ARG A 139 923 1079 1074 155 107 -13 C +ATOM 1110 CD ARG A 139 -19.761 -17.779 4.054 1.00 8.58 C +ANISOU 1110 CD ARG A 139 1049 1218 995 265 0 44 C +ATOM 1111 NE ARG A 139 -19.821 -16.458 4.666 1.00 9.10 N +ANISOU 1111 NE ARG A 139 1033 1069 1356 235 -249 79 N +ATOM 1112 CZ ARG A 139 -20.928 -15.784 4.935 1.00 9.39 C +ANISOU 1112 CZ ARG A 139 1105 915 1545 277 -373 82 C +ATOM 1113 NH1 ARG A 139 -22.126 -16.264 4.652 1.00 9.41 N +ANISOU 1113 NH1 ARG A 139 1052 1129 1396 300 -368 75 N +ATOM 1114 NH2 ARG A 139 -20.834 -14.590 5.505 1.00 12.04 N +ANISOU 1114 NH2 ARG A 139 1189 1131 2253 375 -535 -274 N +ATOM 1115 C ARG A 139 -17.424 -19.840 7.899 1.00 7.13 C +ANISOU 1115 C ARG A 139 710 801 1198 168 -18 273 C +ATOM 1116 O ARG A 139 -16.314 -20.207 7.540 1.00 8.70 O +ANISOU 1116 O ARG A 139 662 1180 1461 273 -46 170 O +ATOM 1117 N LYS A 140 -17.624 -19.244 9.074 1.00 7.90 N +ANISOU 1117 N LYS A 140 727 934 1340 239 -222 -23 N +ATOM 1118 CA LYS A 140 -16.541 -19.088 10.037 1.00 9.21 C +ANISOU 1118 CA LYS A 140 837 949 1714 27 -409 82 C +ATOM 1119 CB LYS A 140 -17.015 -18.308 11.275 1.00 11.71 C +ANISOU 1119 CB LYS A 140 1228 1011 2210 253 -667 -387 C +ATOM 1120 CG LYS A 140 -16.072 -18.239 12.479 1.00 15.98 C +ANISOU 1120 CG LYS A 140 1473 2256 2342 336 -686 -612 C +ATOM 1121 CD LYS A 140 -16.720 -17.338 13.533 1.00 20.69 C +ANISOU 1121 CD LYS A 140 1885 3353 2621 425 -772 -1157 C +ATOM 1122 CE LYS A 140 -16.710 -17.933 14.881 1.00 33.35 C +ANISOU 1122 CE LYS A 140 5002 3168 4499 1185 426 432 C +ATOM 1123 NZ LYS A 140 -15.355 -17.983 15.430 1.00 42.46 N +ANISOU 1123 NZ LYS A 140 5398 6560 4176 -27 -265 -1512 N +ATOM 1124 C LYS A 140 -15.987 -20.447 10.461 1.00 8.08 C +ANISOU 1124 C LYS A 140 840 1046 1185 218 -374 -109 C +ATOM 1125 O LYS A 140 -14.779 -20.656 10.516 1.00 8.28 O +ANISOU 1125 O LYS A 140 818 881 1447 185 -421 -153 O +ATOM 1126 N ASP A 141 -16.889 -21.381 10.771 1.00 7.55 N +ANISOU 1126 N ASP A 141 808 886 1175 337 -255 -15 N +ATOM 1127 CA ASP A 141 -16.467 -22.698 11.218 1.00 7.99 C +ANISOU 1127 CA ASP A 141 971 863 1201 293 -360 -9 C +ATOM 1128 CB ASP A 141 -17.642 -23.412 11.900 1.00 8.62 C +ANISOU 1128 CB ASP A 141 1212 779 1282 137 -458 112 C +ATOM 1129 CG ASP A 141 -18.003 -22.866 13.302 1.00 9.96 C +ANISOU 1129 CG ASP A 141 1389 1130 1264 -16 -418 54 C +ATOM 1130 OD1 ASP A 141 -17.279 -21.972 13.813 1.00 12.35 O +ANISOU 1130 OD1 ASP A 141 1713 1589 1392 -140 -392 -276 O +ATOM 1131 OD2 ASP A 141 -18.999 -23.340 13.880 1.00 12.46 O +ANISOU 1131 OD2 ASP A 141 1566 1340 1829 -165 -227 157 O +ATOM 1132 C ASP A 141 -15.813 -23.489 10.083 1.00 8.43 C +ANISOU 1132 C ASP A 141 953 989 1263 332 -361 -65 C +ATOM 1133 O ASP A 141 -14.831 -24.203 10.303 1.00 9.91 O +ANISOU 1133 O ASP A 141 1152 1143 1471 514 -513 -160 O +ATOM 1134 N ILE A 142 -16.357 -23.386 8.863 1.00 7.69 N +ANISOU 1134 N ILE A 142 830 852 1241 321 -339 -86 N +ATOM 1135 CA ILE A 142 -15.706 -24.013 7.725 1.00 8.94 C +ANISOU 1135 CA ILE A 142 846 1121 1430 290 -246 -261 C +ATOM 1136 CB ILE A 142 -16.550 -23.897 6.409 1.00 10.36 C +ANISOU 1136 CB ILE A 142 744 1534 1659 395 -369 -871 C +ATOM 1137 CG1 ILE A 142 -17.774 -24.730 6.490 1.00 10.71 C +ANISOU 1137 CG1 ILE A 142 1314 1046 1708 279 192 -131 C +ATOM 1138 CG2 ILE A 142 -15.692 -24.228 5.130 1.00 10.75 C +ANISOU 1138 CG2 ILE A 142 951 1512 1619 269 -20 -100 C +ATOM 1139 C ILE A 142 -14.320 -23.438 7.489 1.00 7.98 C +ANISOU 1139 C ILE A 142 817 1000 1213 356 -303 -30 C +ATOM 1140 O ILE A 142 -13.386 -24.180 7.203 1.00 9.31 O +ANISOU 1140 O ILE A 142 789 1153 1594 474 -393 -169 O +ATOM 1141 CD1AILE A 142 -18.688 -24.471 5.476 0.60 21.96 C +ANISOU 1141 CD1AILE A 142 3151 3485 1707 -607 -899 -47 C +ATOM 1142 CD1BILE A 142 -17.617 -26.230 6.381 0.40 6.34 C +ANISOU 1142 CD1BILE A 142 854 971 583 97 70 57 C +ATOM 1143 N ALA A 143 -14.188 -22.112 7.578 1.00 8.60 N +ANISOU 1143 N ALA A 143 766 999 1502 363 -182 -22 N +ATOM 1144 CA ALA A 143 -12.895 -21.483 7.355 1.00 10.25 C +ANISOU 1144 CA ALA A 143 814 1264 1815 223 -168 -28 C +ATOM 1145 CB ALA A 143 -13.031 -19.962 7.420 1.00 11.95 C +ANISOU 1145 CB ALA A 143 849 1191 2499 102 -92 -31 C +ATOM 1146 C ALA A 143 -11.862 -21.994 8.363 1.00 9.88 C +ANISOU 1146 C ALA A 143 787 975 1992 198 -304 -174 C +ATOM 1147 O ALA A 143 -10.696 -22.243 8.008 1.00 12.32 O +ANISOU 1147 O ALA A 143 819 1289 2573 320 -321 -432 O +ATOM 1148 N ALA A 144 -12.290 -22.169 9.617 1.00 10.33 N +ANISOU 1148 N ALA A 144 916 1145 1864 345 -531 -186 N +ATOM 1149 CA ALA A 144 -11.376 -22.660 10.637 1.00 11.58 C +ANISOU 1149 CA ALA A 144 1223 1235 1943 358 -857 -415 C +ATOM 1150 CB ALA A 144 -12.010 -22.579 12.021 1.00 13.48 C +ANISOU 1150 CB ALA A 144 1745 1488 1889 622 -898 -694 C +ATOM 1151 C ALA A 144 -10.959 -24.096 10.306 1.00 10.51 C +ANISOU 1151 C ALA A 144 910 1192 1890 311 -536 -266 C +ATOM 1152 O ALA A 144 -9.797 -24.474 10.479 1.00 12.01 O +ANISOU 1152 O ALA A 144 961 1330 2273 327 -833 -425 O +ATOM 1153 N LYS A 145 -11.905 -24.909 9.808 1.00 8.96 N +ANISOU 1153 N LYS A 145 940 1084 1381 440 -524 -311 N +ATOM 1154 CA LYS A 145 -11.595 -26.280 9.427 1.00 8.64 C +ANISOU 1154 CA LYS A 145 1009 1043 1230 361 -463 -216 C +ATOM 1155 CB LYS A 145 -12.851 -27.104 9.241 1.00 10.55 C +ANISOU 1155 CB LYS A 145 838 1373 1796 362 -562 -165 C +ATOM 1156 CG LYS A 145 -12.637 -28.560 9.187 1.00 17.09 C +ANISOU 1156 CG LYS A 145 2041 1553 2902 396 145 -800 C +ATOM 1157 CD LYS A 145 -12.007 -29.193 10.401 1.00 25.81 C +ANISOU 1157 CD LYS A 145 4165 2380 3262 -345 -429 275 C +ATOM 1158 CE LYS A 145 -12.950 -29.275 11.588 1.00 26.61 C +ANISOU 1158 CE LYS A 145 2447 4972 2692 933 -1386 -1184 C +ATOM 1159 NZ LYS A 145 -12.320 -29.990 12.738 1.00 22.92 N +ANISOU 1159 NZ LYS A 145 2965 3359 2385 336 -368 -360 N +ATOM 1160 C LYS A 145 -10.686 -26.319 8.196 1.00 8.16 C +ANISOU 1160 C LYS A 145 739 1005 1357 277 -412 -213 C +ATOM 1161 O LYS A 145 -9.732 -27.093 8.144 1.00 9.08 O +ANISOU 1161 O LYS A 145 885 945 1618 358 -422 -144 O +ATOM 1162 N TYR A 146 -10.951 -25.463 7.208 1.00 8.43 N +ANISOU 1162 N TYR A 146 662 1179 1363 364 -233 -60 N +ATOM 1163 CA TYR A 146 -10.074 -25.326 6.061 1.00 9.06 C +ANISOU 1163 CA TYR A 146 760 1159 1524 328 -215 1 C +ATOM 1164 CB TYR A 146 -10.509 -24.153 5.200 1.00 10.28 C +ANISOU 1164 CB TYR A 146 957 1169 1780 208 -251 202 C +ATOM 1165 CG TYR A 146 -11.637 -24.316 4.197 1.00 9.34 C +ANISOU 1165 CG TYR A 146 707 1072 1769 88 -128 192 C +ATOM 1166 CD1 TYR A 146 -12.319 -25.511 4.055 1.00 8.50 C +ANISOU 1166 CD1 TYR A 146 904 1059 1265 184 45 39 C +ATOM 1167 CD2 TYR A 146 -11.999 -23.273 3.382 1.00 10.00 C +ANISOU 1167 CD2 TYR A 146 993 1015 1791 146 -117 126 C +ATOM 1168 CE1 TYR A 146 -13.268 -25.685 3.049 1.00 8.25 C +ANISOU 1168 CE1 TYR A 146 1057 795 1282 81 50 -95 C +ATOM 1169 CE2 TYR A 146 -12.928 -23.432 2.384 1.00 9.65 C +ANISOU 1169 CE2 TYR A 146 842 1043 1780 94 -107 142 C +ATOM 1170 CZ TYR A 146 -13.544 -24.661 2.187 1.00 8.95 C +ANISOU 1170 CZ TYR A 146 797 1181 1421 -62 -254 164 C +ATOM 1171 OH TYR A 146 -14.435 -24.845 1.177 1.00 9.75 O +ANISOU 1171 OH TYR A 146 990 1147 1568 -67 -340 -31 O +ATOM 1172 C TYR A 146 -8.617 -25.123 6.476 1.00 10.93 C +ANISOU 1172 C TYR A 146 786 1416 1953 448 -380 183 C +ATOM 1173 O TYR A 146 -7.704 -25.777 5.965 1.00 12.24 O +ANISOU 1173 O TYR A 146 719 1618 2314 527 -72 457 O +ATOM 1174 N LYS A 147 -8.397 -24.208 7.423 1.00 11.70 N +ANISOU 1174 N LYS A 147 888 1198 2358 114 -473 120 N +ATOM 1175 CA LYS A 147 -7.048 -23.926 7.884 1.00 14.20 C +ANISOU 1175 CA LYS A 147 882 1376 3140 -24 -619 388 C +ATOM 1176 CB LYS A 147 -7.092 -22.741 8.877 1.00 17.94 C +ANISOU 1176 CB LYS A 147 1893 1008 3915 -157 -1250 268 C +ATOM 1177 CG LYS A 147 -5.757 -22.293 9.457 1.00 29.23 C +ANISOU 1177 CG LYS A 147 1801 2866 6440 253 -1736 -844 C +ATOM 1178 CD LYS A 147 -5.840 -21.062 10.382 1.00 34.46 C +ANISOU 1178 CD LYS A 147 4085 3735 5273 -508 -1914 -856 C +ATOM 1179 CE LYS A 147 -4.551 -20.804 11.114 1.00 44.65 C +ANISOU 1179 CE LYS A 147 3973 7799 5193 1729 -2306 -2788 C +ATOM 1180 NZ LYS A 147 -3.391 -20.741 10.190 1.00 60.50 N +ANISOU 1180 NZ LYS A 147 5406 7091 10488 -1053 64 -2109 N +ATOM 1181 C LYS A 147 -6.422 -25.166 8.518 1.00 12.78 C +ANISOU 1181 C LYS A 147 1099 1257 2500 308 -573 -128 C +ATOM 1182 O LYS A 147 -5.256 -25.481 8.281 1.00 14.58 O +ANISOU 1182 O LYS A 147 938 1246 3355 193 -636 153 O +ATOM 1183 N GLU A 148 -7.185 -25.867 9.350 1.00 10.90 N +ANISOU 1183 N GLU A 148 884 1193 2064 314 -738 -206 N +ATOM 1184 CA GLU A 148 -6.706 -27.101 9.963 1.00 10.81 C +ANISOU 1184 CA GLU A 148 973 1175 1961 419 -690 -267 C +ATOM 1185 CB GLU A 148 -7.771 -27.657 10.932 1.00 11.86 C +ANISOU 1185 CB GLU A 148 1218 1541 1748 428 -695 -377 C +ATOM 1186 CG GLU A 148 -7.968 -26.842 12.188 1.00 15.64 C +ANISOU 1186 CG GLU A 148 1929 2088 1923 892 -636 -555 C +ATOM 1187 CD GLU A 148 -9.137 -27.275 13.040 1.00 27.33 C +ANISOU 1187 CD GLU A 148 3865 3790 2729 -79 699 -1132 C +ATOM 1188 OE1 GLU A 148 -9.712 -28.356 12.798 1.00 32.82 O +ANISOU 1188 OE1 GLU A 148 5607 4788 2076 -1358 994 -1237 O +ATOM 1189 OE2 GLU A 148 -9.483 -26.515 13.968 1.00 43.27 O +ANISOU 1189 OE2 GLU A 148 6495 6698 3247 1512 1111 -2217 O +ATOM 1190 C GLU A 148 -6.348 -28.157 8.919 1.00 9.68 C +ANISOU 1190 C GLU A 148 600 1179 1897 130 -444 -163 C +ATOM 1191 O GLU A 148 -5.416 -28.934 9.106 1.00 10.43 O +ANISOU 1191 O GLU A 148 738 1356 1870 297 -371 39 O +ATOM 1192 N LEU A 149 -7.086 -28.190 7.806 1.00 8.98 N +ANISOU 1192 N LEU A 149 626 975 1812 310 -434 -70 N +ATOM 1193 CA LEU A 149 -6.912 -29.173 6.739 1.00 8.70 C +ANISOU 1193 CA LEU A 149 698 1180 1428 376 -259 33 C +ATOM 1194 CB LEU A 149 -8.230 -29.288 5.974 1.00 8.52 C +ANISOU 1194 CB LEU A 149 721 1184 1330 224 -192 -220 C +ATOM 1195 CG LEU A 149 -9.366 -29.945 6.719 1.00 8.95 C +ANISOU 1195 CG LEU A 149 851 1247 1305 252 -28 -337 C +ATOM 1196 CD1 LEU A 149 -10.714 -29.682 6.043 1.00 10.89 C +ANISOU 1196 CD1 LEU A 149 802 2001 1336 217 -51 -468 C +ATOM 1197 CD2 LEU A 149 -9.160 -31.457 6.807 1.00 10.65 C +ANISOU 1197 CD2 LEU A 149 1103 1245 1697 307 232 -167 C +ATOM 1198 C LEU A 149 -5.797 -28.817 5.756 1.00 10.17 C +ANISOU 1198 C LEU A 149 799 1347 1716 288 -212 183 C +ATOM 1199 O LEU A 149 -5.444 -29.614 4.892 1.00 11.21 O +ANISOU 1199 O LEU A 149 841 1464 1954 411 71 189 O +ATOM 1200 N GLY A 150 -5.280 -27.584 5.847 1.00 10.25 N +ANISOU 1200 N GLY A 150 529 1502 1862 175 -360 287 N +ATOM 1201 CA GLY A 150 -4.201 -27.157 4.982 1.00 12.89 C +ANISOU 1201 CA GLY A 150 585 2162 2151 169 -364 662 C +ATOM 1202 C GLY A 150 -4.585 -26.321 3.769 1.00 12.80 C +ANISOU 1202 C GLY A 150 609 2074 2178 -17 -259 758 C +ATOM 1203 O GLY A 150 -3.759 -26.146 2.886 1.00 15.63 O +ANISOU 1203 O GLY A 150 596 2799 2543 16 -107 957 O +ATOM 1204 N TYR A 151 -5.825 -25.819 3.745 1.00 10.26 N +ANISOU 1204 N TYR A 151 799 1268 1830 80 -240 265 N +ATOM 1205 CA TYR A 151 -6.341 -25.038 2.632 1.00 11.08 C +ANISOU 1205 CA TYR A 151 837 1279 2095 57 -365 371 C +ATOM 1206 CB TYR A 151 -7.667 -25.661 2.154 1.00 10.80 C +ANISOU 1206 CB TYR A 151 886 1271 1948 98 -314 65 C +ATOM 1207 CG TYR A 151 -8.336 -24.967 0.976 1.00 11.76 C +ANISOU 1207 CG TYR A 151 760 1753 1953 61 -238 252 C +ATOM 1208 CD1 TYR A 151 -7.645 -24.732 -0.204 1.00 14.66 C +ANISOU 1208 CD1 TYR A 151 595 2803 2173 333 -68 620 C +ATOM 1209 CD2 TYR A 151 -9.679 -24.611 1.016 1.00 10.83 C +ANISOU 1209 CD2 TYR A 151 843 1417 1854 146 -169 316 C +ATOM 1210 CE1 TYR A 151 -8.272 -24.125 -1.292 1.00 15.92 C +ANISOU 1210 CE1 TYR A 151 794 3129 2125 249 -27 846 C +ATOM 1211 CE2 TYR A 151 -10.304 -24.007 -0.057 1.00 10.95 C +ANISOU 1211 CE2 TYR A 151 799 1402 1957 13 -135 353 C +ATOM 1212 CZ TYR A 151 -9.604 -23.774 -1.212 1.00 13.49 C +ANISOU 1212 CZ TYR A 151 714 2335 2077 3 -131 795 C +ATOM 1213 OH TYR A 151 -10.282 -23.161 -2.233 1.00 15.65 O +ANISOU 1213 OH TYR A 151 1225 2472 2248 176 -327 874 O +ATOM 1214 C TYR A 151 -6.560 -23.589 3.059 1.00 12.10 C +ANISOU 1214 C TYR A 151 807 1353 2437 -13 -299 183 C +ATOM 1215 O TYR A 151 -7.265 -23.330 4.029 1.00 13.85 O +ANISOU 1215 O TYR A 151 1161 1580 2522 100 -359 -40 O +ATOM 1216 N GLN A 152 -5.951 -22.667 2.319 1.00 16.03 N +ANISOU 1216 N GLN A 152 999 1803 3288 -258 -445 575 N +ATOM 1217 CA GLN A 152 -6.075 -21.254 2.611 1.00 21.50 C +ANISOU 1217 CA GLN A 152 1575 1518 5075 -648 -1451 667 C +ATOM 1218 CB GLN A 152 -5.146 -20.465 1.673 1.00 31.29 C +ANISOU 1218 CB GLN A 152 2375 1290 8223 6 708 1138 C +ATOM 1219 CG GLN A 152 -5.380 -20.682 0.156 1.00 65.33 C +ANISOU 1219 CG GLN A 152 8452 7768 8604 -705 -200 -383 C +ATOM 1220 CD GLN A 152 -4.759 -21.945 -0.463 1.00 67.39 C +ANISOU 1220 CD GLN A 152 12836 8257 4512 1838 -940 1475 C +ATOM 1221 OE1 GLN A 152 -4.219 -22.871 0.207 1.00 31.88 O +ANISOU 1221 OE1 GLN A 152 2675 5279 4160 -885 956 163 O +ATOM 1222 NE2 GLN A 152 -4.839 -22.010 -1.793 1.00 48.12 N +ANISOU 1222 NE2 GLN A 152 5011 8655 4617 1318 331 -310 N +ATOM 1223 C GLN A 152 -7.505 -20.736 2.497 1.00 23.56 C +ANISOU 1223 C GLN A 152 1906 2090 4957 -187 -1284 -110 C +ATOM 1224 O GLN A 152 -7.905 -19.809 3.205 1.00 31.89 O +ANISOU 1224 O GLN A 152 2487 2601 7030 275 -1470 -1448 O +ATOM 1225 N GLY A 153 -8.272 -21.317 1.582 1.00 20.13 N +ANISOU 1225 N GLY A 153 1676 1549 4424 125 -1207 430 N +ATOM 1226 CA GLY A 153 -9.628 -20.862 1.349 1.00 17.48 C +ANISOU 1226 CA GLY A 153 1087 1721 3833 -297 -413 679 C +ATOM 1227 C GLY A 153 -9.731 -19.560 0.631 1.00 16.24 C +ANISOU 1227 C GLY A 153 1417 1572 3180 -209 -712 276 C +ATOM 1228 O GLY A 153 -8.737 -19.059 0.066 1.00 25.63 O +ANISOU 1228 O GLY A 153 2038 2739 4962 -154 -139 1792 O +ATOM 1229 OXT GLY A 153 -10.812 -18.969 0.634 1.00 16.76 O +ANISOU 1229 OXT GLY A 153 1144 2176 3047 -227 -715 546 O +TER 1230 GLY A 153 +HETATM 1231 CHA HEM A 201 -20.523 -31.479 -3.661 1.00 5.77 C +ANISOU 1231 CHA HEM A 201 611 862 719 49 -9 -36 C +HETATM 1232 CHB HEM A 201 -22.865 -29.353 -0.029 1.00 5.26 C +ANISOU 1232 CHB HEM A 201 617 817 563 111 -77 24 C +HETATM 1233 CHC HEM A 201 -21.216 -25.040 -1.473 1.00 6.35 C +ANISOU 1233 CHC HEM A 201 697 797 921 223 62 124 C +HETATM 1234 CHD HEM A 201 -18.989 -27.159 -5.193 1.00 6.21 C +ANISOU 1234 CHD HEM A 201 621 1110 626 118 57 244 C +HETATM 1235 C1A HEM A 201 -21.269 -31.272 -2.520 1.00 5.81 C +ANISOU 1235 C1A HEM A 201 543 858 806 56 31 20 C +HETATM 1236 C2A HEM A 201 -21.903 -32.323 -1.771 1.00 5.82 C +ANISOU 1236 C2A HEM A 201 528 881 801 14 -52 -23 C +HETATM 1237 C3A HEM A 201 -22.600 -31.719 -0.761 1.00 5.57 C +ANISOU 1237 C3A HEM A 201 504 833 778 76 -112 3 C +HETATM 1238 C4A HEM A 201 -22.359 -30.299 -0.892 1.00 5.23 C +ANISOU 1238 C4A HEM A 201 697 764 524 128 -138 10 C +HETATM 1239 CMA HEM A 201 -23.415 -32.360 0.337 1.00 6.16 C +ANISOU 1239 CMA HEM A 201 641 902 797 36 -125 28 C +HETATM 1240 CAA HEM A 201 -21.784 -33.807 -1.990 1.00 6.57 C +ANISOU 1240 CAA HEM A 201 648 955 892 50 -112 -151 C +HETATM 1241 CBA HEM A 201 -20.814 -34.503 -0.991 1.00 8.03 C +ANISOU 1241 CBA HEM A 201 805 1069 1175 61 -216 -42 C +HETATM 1242 CGA HEM A 201 -19.463 -33.845 -0.974 1.00 8.02 C +ANISOU 1242 CGA HEM A 201 695 968 1385 148 -182 44 C +HETATM 1243 O1A HEM A 201 -19.096 -33.214 0.055 1.00 9.97 O +ANISOU 1243 O1A HEM A 201 768 1344 1677 -61 -185 -143 O +HETATM 1244 O2A HEM A 201 -18.723 -33.903 -1.983 1.00 9.92 O +ANISOU 1244 O2A HEM A 201 855 1341 1571 131 3 202 O +HETATM 1245 C1B HEM A 201 -22.625 -27.980 -0.085 1.00 5.94 C +ANISOU 1245 C1B HEM A 201 719 792 746 171 43 158 C +HETATM 1246 C2B HEM A 201 -23.143 -27.013 0.846 1.00 5.97 C +ANISOU 1246 C2B HEM A 201 661 804 803 66 -71 49 C +HETATM 1247 C3B HEM A 201 -22.694 -25.788 0.453 1.00 5.98 C +ANISOU 1247 C3B HEM A 201 696 831 745 38 -60 16 C +HETATM 1248 C4B HEM A 201 -21.854 -26.029 -0.745 1.00 6.14 C +ANISOU 1248 C4B HEM A 201 747 840 745 75 -45 27 C +HETATM 1249 CMB HEM A 201 -24.009 -27.344 2.004 1.00 6.12 C +ANISOU 1249 CMB HEM A 201 684 878 764 108 -88 87 C +HETATM 1250 CAB HEM A 201 -22.966 -24.463 0.993 1.00 7.26 C +ANISOU 1250 CAB HEM A 201 1091 787 881 244 75 112 C +HETATM 1251 CBB HEM A 201 -24.111 -24.080 1.557 1.00 8.99 C +ANISOU 1251 CBB HEM A 201 1260 991 1166 341 278 170 C +HETATM 1252 C1C HEM A 201 -20.510 -25.202 -2.651 1.00 5.74 C +ANISOU 1252 C1C HEM A 201 504 831 846 91 -67 123 C +HETATM 1253 C2C HEM A 201 -20.043 -24.146 -3.497 1.00 6.43 C +ANISOU 1253 C2C HEM A 201 542 961 941 14 -33 220 C +HETATM 1254 C3C HEM A 201 -19.414 -24.768 -4.582 1.00 6.42 C +ANISOU 1254 C3C HEM A 201 457 1082 901 93 -41 292 C +HETATM 1255 C4C HEM A 201 -19.501 -26.194 -4.349 1.00 5.89 C +ANISOU 1255 C4C HEM A 201 619 1070 551 88 -126 192 C +HETATM 1256 CMC HEM A 201 -20.239 -22.671 -3.253 1.00 7.20 C +ANISOU 1256 CMC HEM A 201 571 1034 1129 99 -47 255 C +HETATM 1257 CAC HEM A 201 -18.810 -24.170 -5.787 1.00 7.20 C +ANISOU 1257 CAC HEM A 201 614 1263 859 155 129 219 C +HETATM 1258 CBC HEM A 201 -18.736 -22.866 -6.066 1.00 8.28 C +ANISOU 1258 CBC HEM A 201 839 1318 987 56 30 449 C +HETATM 1259 C1D HEM A 201 -19.190 -28.518 -5.059 1.00 6.29 C +ANISOU 1259 C1D HEM A 201 630 1059 702 227 -53 157 C +HETATM 1260 C2D HEM A 201 -18.737 -29.484 -6.048 1.00 7.08 C +ANISOU 1260 C2D HEM A 201 645 1175 870 153 28 89 C +HETATM 1261 C3D HEM A 201 -19.202 -30.690 -5.660 1.00 6.89 C +ANISOU 1261 C3D HEM A 201 591 1173 852 39 69 -74 C +HETATM 1262 C4D HEM A 201 -19.908 -30.463 -4.397 1.00 6.00 C +ANISOU 1262 C4D HEM A 201 430 1093 757 47 -37 22 C +HETATM 1263 CMD HEM A 201 -17.945 -29.181 -7.303 1.00 7.80 C +ANISOU 1263 CMD HEM A 201 931 1253 781 193 48 59 C +HETATM 1264 CAD HEM A 201 -19.110 -31.981 -6.426 1.00 8.15 C +ANISOU 1264 CAD HEM A 201 1100 1133 862 213 121 -12 C +HETATM 1265 CBD HEM A 201 -20.292 -32.070 -7.448 1.00 9.31 C +ANISOU 1265 CBD HEM A 201 1254 1358 927 203 73 -27 C +HETATM 1266 CGD HEM A 201 -20.154 -33.344 -8.222 1.00 13.56 C +ANISOU 1266 CGD HEM A 201 2485 1389 1278 -19 451 -137 C +HETATM 1267 O1D HEM A 201 -19.332 -33.443 -9.179 1.00 17.78 O +ANISOU 1267 O1D HEM A 201 3130 2092 1532 -295 741 -508 O +HETATM 1268 O2D HEM A 201 -20.826 -34.325 -7.863 1.00 11.74 O +ANISOU 1268 O2D HEM A 201 1826 1579 1056 19 -51 -151 O +HETATM 1269 NA HEM A 201 -21.564 -30.038 -1.980 1.00 5.66 N +ANISOU 1269 NA HEM A 201 535 1024 591 247 -121 -21 N +HETATM 1270 NB HEM A 201 -21.859 -27.354 -1.034 1.00 5.66 N +ANISOU 1270 NB HEM A 201 560 866 725 65 -59 76 N +HETATM 1271 NC HEM A 201 -20.170 -26.426 -3.170 1.00 5.59 N +ANISOU 1271 NC HEM A 201 525 880 720 98 -37 189 N +HETATM 1272 ND HEM A 201 -19.900 -29.134 -4.053 1.00 6.35 N +ANISOU 1272 ND HEM A 201 664 922 825 145 -2 134 N +HETATM 1273 FE HEM A 201 -20.816 -28.268 -2.535 1.00 5.70 FE +ANISOU 1273 FE HEM A 201 496 924 745 120 -50 117 FE +HETATM 1274 O1 OXY A 202 -22.432 -27.967 -3.858 1.00 7.47 O +ANISOU 1274 O1 OXY A 202 619 1207 1013 71 -96 244 O +HETATM 1275 O2 OXY A 202 -23.085 -26.802 -4.098 1.00 13.39 O +ANISOU 1275 O2 OXY A 202 1413 1566 2108 324 -45 295 O +HETATM 1276 S DMS A 203 -19.264 -26.590 2.240 1.00 15.75 S +ANISOU 1276 S DMS A 203 2943 1530 1510 914 279 -84 S +HETATM 1277 O DMS A 203 -17.800 -26.613 1.972 1.00 39.91 O +ANISOU 1277 O DMS A 203 2901 3562 8701 1359 360 438 O +HETATM 1278 C1 DMS A 203 -19.855 -25.020 1.777 1.00 72.87 C +ANISOU 1278 C1 DMS A 203 11473 3600 12614 3876 -1039 2179 C +HETATM 1279 C2 DMS A 203 -20.036 -27.537 1.010 1.00 71.10 C +ANISOU 1279 C2 DMS A 203 10753 8809 7452 -1963 -3300 -3786 C +HETATM 1280 S SO4 A 204 -12.976 -38.359 10.525 1.00 17.44 S +ANISOU 1280 S SO4 A 204 1592 2508 2525 -107 161 67 S +HETATM 1281 O1 SO4 A 204 -12.096 -37.373 11.039 1.00 17.18 O +ANISOU 1281 O1 SO4 A 204 1218 2932 2376 -920 219 -159 O +HETATM 1282 O2 SO4 A 204 -12.223 -39.597 10.361 1.00 27.26 O +ANISOU 1282 O2 SO4 A 204 3309 3097 3951 1057 1488 313 O +HETATM 1283 O3 SO4 A 204 -14.129 -38.575 11.368 1.00 24.24 O +ANISOU 1283 O3 SO4 A 204 2059 3884 3268 -995 681 -387 O +HETATM 1284 O4 SO4 A 204 -13.357 -37.935 9.205 1.00 22.45 O +ANISOU 1284 O4 SO4 A 204 1391 4267 2872 -52 -558 946 O +HETATM 1285 S SO4 A 205 -31.441 -18.006 -20.607 1.00 14.99 S +ANISOU 1285 S SO4 A 205 2607 1929 1161 692 -348 -302 S +HETATM 1286 O1 SO4 A 205 -30.869 -17.987 -21.922 1.00 14.82 O +ANISOU 1286 O1 SO4 A 205 2919 1922 788 -288 -610 -278 O +HETATM 1287 O2 SO4 A 205 -32.341 -16.877 -20.500 1.00 18.33 O +ANISOU 1287 O2 SO4 A 205 2893 2357 1714 1017 58 -252 O +HETATM 1288 O3 SO4 A 205 -32.196 -19.288 -20.430 1.00 14.20 O +ANISOU 1288 O3 SO4 A 205 2496 1775 1126 693 -475 -136 O +HETATM 1289 O4 SO4 A 205 -30.382 -17.972 -19.567 1.00 13.61 O +ANISOU 1289 O4 SO4 A 205 2703 1671 797 271 -374 -90 O +HETATM 1290 S SO4 A 206 -33.788 -12.980 20.972 1.00 72.48 S +ANISOU 1290 S SO4 A 206 5260 16495 5783 877 -131 2176 S +HETATM 1291 O1 SO4 A 206 -32.618 -13.030 20.133 1.00 33.87 O +ANISOU 1291 O1 SO4 A 206 4747 4291 3830 -43 -785 -606 O +HETATM 1292 O2 SO4 A 206 -34.040 -11.598 21.371 1.00105.39 O +ANISOU 1292 O2 SO4 A 206 11402 18559 10082 -4421 3865 -2522 O +HETATM 1293 O3 SO4 A 206 -34.933 -13.500 20.240 1.00102.48 O +ANISOU 1293 O3 SO4 A 206 22795 2273 13868 4484 -73 119 O +HETATM 1294 O4 SO4 A 206 -33.549 -13.804 22.152 1.00 90.42 O +ANISOU 1294 O4 SO4 A 206 11323 12577 10454 4076 5554 -6913 O +HETATM 1295 S SO4 A 207 -25.319 -35.866 -5.726 1.00 14.37 S +ANISOU 1295 S SO4 A 207 1833 1732 1895 139 363 -326 S +HETATM 1296 O1 SO4 A 207 -25.305 -36.739 -6.844 1.00 28.65 O +ANISOU 1296 O1 SO4 A 207 5369 2174 3344 -630 1901 -1130 O +HETATM 1297 O2 SO4 A 207 -26.622 -35.886 -5.126 1.00 58.85 O +ANISOU 1297 O2 SO4 A 207 6776 11925 3660 -1026 4284 1938 O +HETATM 1298 O3 SO4 A 207 -24.336 -36.372 -4.785 1.00 53.82 O +ANISOU 1298 O3 SO4 A 207 5615 11203 3632 1055 -4244 -371 O +HETATM 1299 O4 SO4 A 207 -24.957 -34.563 -6.078 1.00 31.93 O +ANISOU 1299 O4 SO4 A 207 4542 1320 6269 105 2427 -304 O +HETATM 1300 C1 EDO A 208 -3.969 -28.926 0.786 1.00 30.07 C +ANISOU 1300 C1 EDO A 208 3322 2734 5368 503 1969 1853 C +HETATM 1301 O1 EDO A 208 -3.957 -28.536 -0.593 1.00 27.13 O +ANISOU 1301 O1 EDO A 208 1694 3716 4897 -244 126 337 O +HETATM 1302 C2 EDO A 208 -5.313 -28.800 1.424 1.00 15.38 C +ANISOU 1302 C2 EDO A 208 2298 811 2736 166 459 142 C +HETATM 1303 O2 EDO A 208 -6.304 -29.193 0.502 1.00 24.73 O +ANISOU 1303 O2 EDO A 208 2028 3094 4272 -714 -837 1910 O +HETATM 1304 O HOH A 301 -19.883 -19.931 17.945 1.00 25.63 O +ANISOU 1304 O HOH A 301 3082 3804 2854 -635 -562 -45 O +HETATM 1305 O HOH A 302 -15.410 -42.525 8.957 1.00 21.95 O +ANISOU 1305 O HOH A 302 2086 2074 4181 -273 364 737 O +HETATM 1306 O HOH A 303 -37.543 -19.103 20.884 1.00 23.05 O +ANISOU 1306 O HOH A 303 2919 2817 3024 698 -652 -362 O +HETATM 1307 O HOH A 304 -26.603 -21.191 19.650 1.00 8.52 O +ANISOU 1307 O HOH A 304 1096 1309 830 274 -96 -24 O +HETATM 1308 O HOH A 305 -24.805 -20.649 17.612 1.00 10.02 O +ANISOU 1308 O HOH A 305 1346 1459 1002 187 -52 31 O +HETATM 1309 O HOH A 306 -39.710 -18.184 15.226 1.00 18.83 O +ANISOU 1309 O HOH A 306 2195 2839 2122 474 -440 -163 O +HETATM 1310 O HOH A 307 -39.102 -17.868 19.110 1.00 23.93 O +ANISOU 1310 O HOH A 307 2529 4678 1884 1002 588 884 O +HETATM 1311 O HOH A 308 -36.169 -17.799 22.889 1.00 22.59 O +ANISOU 1311 O HOH A 308 2660 3468 2456 447 558 -433 O +HETATM 1312 O HOH A 309 -33.982 -11.566 16.305 1.00 27.17 O +ANISOU 1312 O HOH A 309 3684 4327 2313 1473 -666 -1124 O +HETATM 1313 O HOH A 310 -39.844 -24.469 12.285 1.00 22.31 O +ANISOU 1313 O HOH A 310 3552 2376 2549 209 531 338 O +HETATM 1314 O HOH A 311 -35.634 -25.762 21.074 1.00 24.84 O +ANISOU 1314 O HOH A 311 3523 3241 2675 -795 399 -199 O +HETATM 1315 O HOH A 312 -37.775 -22.030 21.175 1.00 21.09 O +ANISOU 1315 O HOH A 312 2168 3881 1965 144 41 509 O +HETATM 1316 O HOH A 313 -43.042 -24.289 10.801 1.00 48.23 O +ANISOU 1316 O HOH A 313 6002 7251 5073 -108 5009 -1879 O +HETATM 1317 O HOH A 314 -33.808 -16.457 22.460 1.00 13.52 O +ANISOU 1317 O HOH A 314 2042 2051 1042 540 -56 -485 O +HETATM 1318 O HOH A 315 -38.051 -16.564 16.954 1.00 12.78 O +ANISOU 1318 O HOH A 315 1284 2380 1193 525 78 48 O +HETATM 1319 O HOH A 316 -30.020 -11.949 14.128 1.00 17.58 O +ANISOU 1319 O HOH A 316 2304 2532 1842 390 -658 -102 O +HETATM 1320 O HOH A 317 -35.023 -13.630 17.680 1.00 26.02 O +ANISOU 1320 O HOH A 317 3483 2260 4144 914 -970 -809 O +HETATM 1321 O HOH A 318 -31.730 -11.221 18.040 1.00 29.28 O +ANISOU 1321 O HOH A 318 4582 2987 3555 866 -1980 -1125 O +HETATM 1322 O HOH A 319 -41.477 -32.523 -6.644 1.00 22.19 O +ANISOU 1322 O HOH A 319 4176 2663 1591 -1540 214 -561 O +HETATM 1323 O HOH A 320 -39.036 -24.888 14.865 1.00 21.81 O +ANISOU 1323 O HOH A 320 3617 2515 2156 -302 -546 -64 O +HETATM 1324 O HOH A 321 -37.097 -26.437 17.359 1.00 24.85 O +ANISOU 1324 O HOH A 321 3204 2292 3944 180 679 219 O +HETATM 1325 O HOH A 322 -33.320 -32.396 13.996 1.00 38.78 O +ANISOU 1325 O HOH A 322 3017 5187 6529 594 2202 2764 O +HETATM 1326 O HOH A 323 -34.178 -16.638 -8.069 1.00 43.15 O +ANISOU 1326 O HOH A 323 7474 4297 4626 2243 -878 2280 O +HETATM 1327 O HOH A 324 -31.520 -16.466 -10.977 1.00 20.99 O +ANISOU 1327 O HOH A 324 3007 2313 2655 -681 -844 1063 O +HETATM 1328 O HOH A 325 -20.742 -37.499 5.140 1.00 21.91 O +ANISOU 1328 O HOH A 325 2742 2334 3248 -104 33 1 O +HETATM 1329 O HOH A 326 -38.069 -26.430 10.670 1.00 31.68 O +ANISOU 1329 O HOH A 326 6976 2141 2920 278 -1690 -545 O +HETATM 1330 O HOH A 327 -42.646 -21.970 9.615 1.00 18.49 O +ANISOU 1330 O HOH A 327 1491 3863 1670 -542 194 -650 O +HETATM 1331 O HOH A 328 -22.036 -21.591 -18.951 1.00 23.23 O +ANISOU 1331 O HOH A 328 2878 3711 2237 -1002 -791 955 O +HETATM 1332 O HOH A 329 -12.518 -23.244 -11.667 1.00 37.94 O +ANISOU 1332 O HOH A 329 3327 7778 3310 317 -458 584 O +HETATM 1333 O HOH A 330 -43.851 -26.334 4.471 1.00 26.61 O +ANISOU 1333 O HOH A 330 1920 4749 3440 -1033 -341 749 O +HETATM 1334 O HOH A 331 -41.725 -14.566 14.644 1.00 40.11 O +ANISOU 1334 O HOH A 331 3519 5507 6213 1302 -280 -2296 O +HETATM 1335 O HOH A 332 -18.854 -35.588 -10.771 1.00 35.72 O +ANISOU 1335 O HOH A 332 5416 4142 4014 2111 759 -1205 O +HETATM 1336 O HOH A 333 -17.722 -29.692 -19.798 1.00 38.13 O +ANISOU 1336 O HOH A 333 4197 8146 2144 1264 867 1252 O +HETATM 1337 O HOH A 334 -38.787 -31.031 0.337 1.00 6.06 O +ANISOU 1337 O HOH A 334 695 684 923 -118 57 28 O +HETATM 1338 O HOH A 335 -37.551 -28.811 9.542 1.00 17.09 O +ANISOU 1338 O HOH A 335 3099 1740 1652 -226 72 -173 O +HETATM 1339 O HOH A 336 -33.781 -29.766 4.790 1.00 6.83 O +ANISOU 1339 O HOH A 336 925 815 854 38 -138 -113 O +HETATM 1340 O HOH A 337 -45.170 -28.892 -1.965 1.00 9.50 O +ANISOU 1340 O HOH A 337 762 1370 1476 17 -73 -165 O +HETATM 1341 O HOH A 338 -38.864 -25.528 -15.779 1.00 52.03 O +ANISOU 1341 O HOH A 338 5461 10040 4269 -623 492 -1194 O +HETATM 1342 O HOH A 339 -37.053 -22.984 -18.911 1.00 29.68 O +ANISOU 1342 O HOH A 339 2077 4551 4648 902 -158 -290 O +HETATM 1343 O HOH A 340 -40.681 -26.599 -8.037 1.00 21.97 O +ANISOU 1343 O HOH A 340 2602 4027 1720 -561 -122 -366 O +HETATM 1344 O HOH A 341 -40.485 -31.289 -4.441 1.00 8.72 O +ANISOU 1344 O HOH A 341 1019 1256 1037 31 159 -38 O +HETATM 1345 O HOH A 342 -39.683 -29.220 -7.520 1.00 54.88 O +ANISOU 1345 O HOH A 342 7969 7940 4943 -4075 -906 -3009 O +HETATM 1346 O HOH A 343 -38.957 -34.359 -6.621 1.00 25.49 O +ANISOU 1346 O HOH A 343 2723 3335 3628 193 -701 -791 O +HETATM 1347 O HOH A 344 -27.994 -34.692 4.469 1.00 16.07 O +ANISOU 1347 O HOH A 344 2173 2066 1867 138 68 87 O +HETATM 1348 O HOH A 346 -24.439 -34.917 2.607 1.00 18.78 O +ANISOU 1348 O HOH A 346 2396 1624 3114 77 231 252 O +HETATM 1349 O HOH A 347 -38.736 -28.183 -9.629 1.00 22.70 O +ANISOU 1349 O HOH A 347 1611 3558 3456 -705 15 -364 O +HETATM 1350 O HOH A 348 -26.188 -34.461 6.509 1.00 15.50 O +ANISOU 1350 O HOH A 348 2227 1283 2379 128 -115 56 O +HETATM 1351 O HOH A 349 -31.173 -33.714 10.260 1.00 13.62 O +ANISOU 1351 O HOH A 349 1876 1721 1579 -418 -639 577 O +HETATM 1352 O HOH A 350 -30.658 -32.430 14.299 1.00 27.39 O +ANISOU 1352 O HOH A 350 3101 5139 2166 595 1034 1586 O +HETATM 1353 O HOH A 351 -39.348 -19.727 -8.044 1.00 23.12 O +ANISOU 1353 O HOH A 351 1620 4078 3085 631 189 1444 O +HETATM 1354 O HOH A 352 -36.523 -17.754 -6.439 1.00 17.11 O +ANISOU 1354 O HOH A 352 2473 2190 1836 583 -195 -42 O +HETATM 1355 O HOH A 353 -34.995 -22.527 -10.949 1.00 19.65 O +ANISOU 1355 O HOH A 353 2552 3166 1750 274 -62 -274 O +HETATM 1356 O HOH A 354 -32.850 -18.458 -9.580 1.00 12.63 O +ANISOU 1356 O HOH A 354 1492 1640 1666 -265 -471 730 O +HETATM 1357 O HOH A 355 -33.308 -34.221 11.830 1.00 34.01 O +ANISOU 1357 O HOH A 355 3594 4767 4559 -608 1025 2282 O +HETATM 1358 O HOH A 356 -26.746 -31.447 19.401 1.00 19.34 O +ANISOU 1358 O HOH A 356 3052 2072 2226 414 579 850 O +HETATM 1359 O HOH A 357 -27.336 -13.660 -5.334 1.00 21.12 O +ANISOU 1359 O HOH A 357 2597 2044 3382 -493 -886 535 O +HETATM 1360 O HOH A 358 -29.804 -8.778 -9.276 1.00 44.45 O +ANISOU 1360 O HOH A 358 7322 2932 6635 917 1679 554 O +HETATM 1361 O HOH A 359 -32.168 -14.032 -10.331 1.00 35.21 O +ANISOU 1361 O HOH A 359 6722 3725 2932 619 -602 897 O +HETATM 1362 O HOH A 360 -22.437 -33.251 3.611 1.00 16.26 O +ANISOU 1362 O HOH A 360 1605 3038 1536 407 -71 -299 O +HETATM 1363 O HOH A 361 -23.860 -18.743 -15.660 1.00 30.16 O +ANISOU 1363 O HOH A 361 3655 5237 2567 -893 432 -351 O +HETATM 1364 O HOH A 362 -19.926 -33.870 2.591 1.00 14.11 O +ANISOU 1364 O HOH A 362 1560 2180 1621 -362 55 -507 O +HETATM 1365 O HOH A 364 -24.937 -15.363 -5.452 1.00 15.81 O +ANISOU 1365 O HOH A 364 1391 2771 1844 -345 43 1317 O +HETATM 1366 O HOH A 365 -23.207 -10.261 -9.236 1.00 39.10 O +ANISOU 1366 O HOH A 365 5743 3223 5888 447 2645 -225 O +HETATM 1367 O HOH A 367 -13.945 -20.910 -10.512 1.00 20.93 O +ANISOU 1367 O HOH A 367 1791 3412 2751 204 -105 466 O +HETATM 1368 O HOH A 368 -14.600 -14.393 -7.888 1.00 25.18 O +ANISOU 1368 O HOH A 368 3006 3007 3553 -858 -219 281 O +HETATM 1369 O HOH A 369 -18.317 -12.651 -9.077 1.00 21.22 O +ANISOU 1369 O HOH A 369 2016 3064 2981 -625 421 948 O +HETATM 1370 O HOH A 370 -19.055 -19.845 -16.078 1.00 20.25 O +ANISOU 1370 O HOH A 370 3237 3011 1445 -22 26 378 O +HETATM 1371 O HOH A 371 -19.407 -22.835 -18.725 1.00 24.96 O +ANISOU 1371 O HOH A 371 4566 2846 2071 -223 -608 15 O +HETATM 1372 O HOH A 372 -43.115 -12.857 -6.535 1.00 22.36 O +ANISOU 1372 O HOH A 372 2615 2623 3256 -47 789 342 O +HETATM 1373 O HOH A 373 -42.664 -10.527 -5.246 1.00 16.41 O +ANISOU 1373 O HOH A 373 1837 1745 2654 424 244 430 O +HETATM 1374 O HOH A 374 -13.906 -28.351 -8.335 1.00 19.48 O +ANISOU 1374 O HOH A 374 1863 3641 1898 1377 -559 -61 O +HETATM 1375 O HOH A 375 -9.833 -21.455 -6.626 1.00 50.32 O +ANISOU 1375 O HOH A 375 6025 8697 4398 -838 -1446 -194 O +HETATM 1376 O HOH A 376 -41.558 -17.190 13.523 1.00 18.46 O +ANISOU 1376 O HOH A 376 1833 3699 1481 241 -112 371 O +HETATM 1377 O HOH A 377 -39.732 -11.889 13.079 1.00 32.62 O +ANISOU 1377 O HOH A 377 4447 4430 3517 2503 129 1070 O +HETATM 1378 O HOH A 378 -15.931 -30.553 -10.304 1.00 23.24 O +ANISOU 1378 O HOH A 378 2776 3641 2414 1363 -524 381 O +HETATM 1379 O HOH A 379 -19.764 -30.790 -17.974 1.00 21.92 O +ANISOU 1379 O HOH A 379 2749 4178 1400 1203 -309 113 O +HETATM 1380 O HOH A 380 -24.797 -33.213 -15.385 1.00 22.32 O +ANISOU 1380 O HOH A 380 2401 3277 2804 -451 309 -42 O +HETATM 1381 O HOH A 381 -20.730 -36.811 -8.438 1.00 28.59 O +ANISOU 1381 O HOH A 381 3066 2611 5183 466 1038 -638 O +HETATM 1382 O HOH A 382 -20.987 -25.443 -22.880 1.00 21.39 O +ANISOU 1382 O HOH A 382 1626 4809 1694 655 9 1181 O +HETATM 1383 O HOH A 383 -27.097 -31.870 -19.128 1.00 31.86 O +ANISOU 1383 O HOH A 383 6655 3233 2219 -90 -546 -199 O +HETATM 1384 O HOH A 385 -8.863 -20.516 12.592 1.00 30.58 O +ANISOU 1384 O HOH A 385 2281 2620 6717 637 -1412 -1907 O +HETATM 1385 O HOH A 386 -22.798 -19.908 -21.107 1.00 70.58 O +ANISOU 1385 O HOH A 386 6220 15935 4663 -2619 -5021 567 O +HETATM 1386 O HOH A 387 -22.099 -21.591 -27.377 1.00 13.61 O +ANISOU 1386 O HOH A 387 1372 2621 1178 170 -181 198 O +HETATM 1387 O HOH A 388 -30.604 -22.797 -24.031 1.00 13.95 O +ANISOU 1387 O HOH A 388 1558 3021 721 519 -301 -142 O +HETATM 1388 O HOH A 389 -34.111 -19.891 -11.620 1.00 20.23 O +ANISOU 1388 O HOH A 389 2322 3120 2246 -390 -491 234 O +HETATM 1389 O HOH A 390 -11.955 -14.738 1.560 1.00 35.32 O +ANISOU 1389 O HOH A 390 3451 4008 5962 -1051 499 -2344 O +HETATM 1390 O HOH A 391 -35.891 -25.472 -19.168 1.00 18.01 O +ANISOU 1390 O HOH A 391 1381 3151 2311 260 -381 475 O +HETATM 1391 O HOH A 392 -30.450 -29.514 -19.546 1.00 19.62 O +ANISOU 1391 O HOH A 392 3388 2170 1895 -267 -349 -721 O +HETATM 1392 O HOH A 393 -29.568 -27.852 -24.752 1.00 20.67 O +ANISOU 1392 O HOH A 393 2547 3311 1997 -413 428 -588 O +HETATM 1393 O HOH A 394 -28.147 -23.499 -25.329 1.00 9.11 O +ANISOU 1393 O HOH A 394 1477 1283 702 109 -87 -54 O +HETATM 1394 O HOH A 395 -32.291 -28.400 -12.422 1.00 9.91 O +ANISOU 1394 O HOH A 395 1310 1695 761 -14 100 -11 O +HETATM 1395 O HOH A 396 -35.339 -30.793 -13.806 1.00 34.30 O +ANISOU 1395 O HOH A 396 5018 3670 4343 -602 1622 79 O +HETATM 1396 O HOH A 397 -31.724 -32.064 -19.568 1.00 31.15 O +ANISOU 1396 O HOH A 397 5927 3618 2289 -635 671 -546 O +HETATM 1397 O HOH A 398 -35.712 -32.031 -18.341 1.00 32.30 O +ANISOU 1397 O HOH A 398 2973 4419 4882 -1416 -1235 -70 O +HETATM 1398 O HOH A 399 -26.661 -31.595 -16.355 1.00 21.50 O +ANISOU 1398 O HOH A 399 2361 3823 1984 264 799 216 O +HETATM 1399 O HOH A 400 -31.845 -33.996 -17.442 1.00 24.93 O +ANISOU 1399 O HOH A 400 5297 2878 1297 -965 -86 -809 O +HETATM 1400 O HOH A 401 -29.528 -34.484 -16.063 1.00 20.73 O +ANISOU 1400 O HOH A 401 2786 3450 1639 155 7 -857 O +HETATM 1401 O HOH A 402 -30.537 -35.885 -4.263 1.00 15.76 O +ANISOU 1401 O HOH A 402 1553 1224 3212 -45 659 166 O +HETATM 1402 O HOH A 403 -27.300 -34.344 1.816 1.00 12.57 O +ANISOU 1402 O HOH A 403 2560 977 1238 113 248 185 O +HETATM 1403 O HOH A 404 -32.090 -31.469 6.024 1.00 7.85 O +ANISOU 1403 O HOH A 404 771 1227 983 204 11 165 O +HETATM 1404 O HOH A 405 -34.299 -31.115 2.445 1.00 6.67 O +ANISOU 1404 O HOH A 405 676 950 907 -126 -64 14 O +HETATM 1405 O HOH A 406 -24.945 -32.075 6.902 1.00 8.69 O +ANISOU 1405 O HOH A 406 1109 1110 1082 269 -64 3 O +HETATM 1406 O HOH A 407 -29.350 -32.460 11.851 1.00 9.99 O +ANISOU 1406 O HOH A 407 1505 1349 942 -262 -299 417 O +HETATM 1407 O HOH A 408 -32.863 -33.030 8.148 1.00 9.40 O +ANISOU 1407 O HOH A 408 1418 1193 961 10 -59 94 O +HETATM 1408 O HOH A 409 -33.502 -28.473 15.526 1.00 19.65 O +ANISOU 1408 O HOH A 409 1507 3410 2548 199 404 645 O +HETATM 1409 O HOH A 410 -24.557 -32.655 17.990 1.00 23.77 O +ANISOU 1409 O HOH A 410 3865 2472 2694 810 691 -135 O +HETATM 1410 O HOH A 411 -28.320 -29.359 18.564 1.00 12.56 O +ANISOU 1410 O HOH A 411 1956 1742 1074 -229 -218 251 O +HETATM 1411 O HOH A 412 -34.667 -26.998 17.750 1.00 24.75 O +ANISOU 1411 O HOH A 412 3175 3423 2803 -998 622 -515 O +HETATM 1412 O HOH A 413 -32.787 -26.564 22.535 1.00 25.61 O +ANISOU 1412 O HOH A 413 2562 4312 2854 -389 -647 107 O +HETATM 1413 O HOH A 414 -20.878 -23.439 16.224 1.00 14.34 O +ANISOU 1413 O HOH A 414 2370 1411 1667 -136 -484 195 O +HETATM 1414 O HOH A 415 -21.956 -32.617 15.557 1.00 54.50 O +ANISOU 1414 O HOH A 415 7056 7087 6565 -1636 -1567 764 O +HETATM 1415 O HOH A 416 -25.759 -25.000 12.865 1.00 9.88 O +ANISOU 1415 O HOH A 416 1166 1512 1075 259 -196 -553 O +HETATM 1416 O HOH A 417 -22.001 -31.496 18.716 1.00 44.75 O +ANISOU 1416 O HOH A 417 6591 6782 3632 3281 -461 -941 O +HETATM 1417 O HOH A 418 -18.183 -36.617 11.072 1.00 23.65 O +ANISOU 1417 O HOH A 418 4557 2050 2377 1901 722 501 O +HETATM 1418 O HOH A 419 -22.396 -33.021 6.336 1.00 12.33 O +ANISOU 1418 O HOH A 419 1357 1990 1336 281 -10 -312 O +HETATM 1419 O HOH A 420 -27.256 -34.273 11.477 1.00 14.59 O +ANISOU 1419 O HOH A 420 2145 1356 2043 -77 -343 187 O +HETATM 1420 O HOH A 421 -17.473 -34.810 15.442 1.00 34.88 O +ANISOU 1420 O HOH A 421 4123 5169 3961 674 -1033 1446 O +HETATM 1421 O HOH A 422 -11.946 -38.650 3.021 1.00 26.37 O +ANISOU 1421 O HOH A 422 3002 2654 4361 -439 1194 -1189 O +HETATM 1422 O HOH A 423 -14.422 -36.903 5.244 1.00 16.65 O +ANISOU 1422 O HOH A 423 1548 1574 3205 431 224 351 O +HETATM 1423 O HOH A 424 -13.423 -35.914 1.052 1.00 17.26 O +ANISOU 1423 O HOH A 424 804 3235 2519 437 228 -712 O +HETATM 1424 O HOH A 425 -15.423 -35.750 2.926 1.00 12.83 O +ANISOU 1424 O HOH A 425 1782 1149 1946 201 535 -26 O +HETATM 1425 O HOH A 426 -6.973 -27.961 -1.901 1.00 20.32 O +ANISOU 1425 O HOH A 426 1541 3097 3081 516 481 1229 O +HETATM 1426 O HOH A 427 -15.050 -37.303 -9.213 1.00 37.82 O +ANISOU 1426 O HOH A 427 6968 3412 3990 -507 -642 -1216 O +HETATM 1427 O HOH A 428 -17.191 -35.683 -5.831 1.00 30.85 O +ANISOU 1427 O HOH A 428 3719 3517 4486 -506 2014 -1322 O +HETATM 1428 O HOH A 429 -14.993 -31.708 -7.777 1.00 23.63 O +ANISOU 1428 O HOH A 429 2205 5265 1510 1196 340 -617 O +HETATM 1429 O HOH A 430 -30.463 -10.562 -3.608 1.00 26.47 O +ANISOU 1429 O HOH A 430 4854 2619 2583 1777 961 154 O +HETATM 1430 O HOH A 431 -34.429 -13.829 -8.963 1.00 62.90 O +ANISOU 1430 O HOH A 431 8199 7009 8693 627 -670 -197 O +HETATM 1431 O HOH A 432 -38.773 -11.250 2.111 1.00 12.31 O +ANISOU 1431 O HOH A 432 1328 1405 1945 51 -69 5 O +HETATM 1432 O HOH A 433 -39.659 -10.063 -1.143 1.00 19.72 O +ANISOU 1432 O HOH A 433 1611 1491 4390 -21 -381 435 O +HETATM 1433 O HOH A 434 -38.862 -8.108 -2.932 1.00 26.91 O +ANISOU 1433 O HOH A 434 4236 2942 3046 -903 -426 522 O +HETATM 1434 O HOH A 435 -38.669 -16.084 -6.765 1.00 26.29 O +ANISOU 1434 O HOH A 435 3661 1905 4425 798 -1812 -355 O +HETATM 1435 O HOH A 436 -41.288 -11.459 -3.014 1.00 22.95 O +ANISOU 1435 O HOH A 436 2202 1043 5474 202 -2038 301 O +HETATM 1436 O HOH A 437 -42.598 -14.883 -4.525 1.00 13.02 O +ANISOU 1436 O HOH A 437 1371 1480 2094 -338 -908 763 O +HETATM 1437 O HOH A 438 -36.369 -10.808 -3.799 1.00 21.06 O +ANISOU 1437 O HOH A 438 2970 2708 2324 -2 -85 206 O +HETATM 1438 O HOH A 439 -42.117 -24.521 -4.602 1.00 11.78 O +ANISOU 1438 O HOH A 439 1609 1459 1408 132 -27 204 O +HETATM 1439 O HOH A 440 -40.126 -24.133 -7.691 1.00 27.12 O +ANISOU 1439 O HOH A 440 2850 3029 4423 820 -652 -1189 O +HETATM 1440 O HOH A 441 -43.713 -17.030 -3.227 1.00 7.08 O +ANISOU 1440 O HOH A 441 667 1159 862 26 -13 6 O +HETATM 1441 O HOH A 442 -41.921 -20.859 -2.426 1.00 8.28 O +ANISOU 1441 O HOH A 442 736 1297 1113 100 128 186 O +HETATM 1442 O HOH A 443 -42.710 -11.446 7.437 1.00 12.29 O +ANISOU 1442 O HOH A 443 1628 1530 1511 -99 61 -239 O +HETATM 1443 O HOH A 444 -41.496 -9.353 4.341 1.00 22.38 O +ANISOU 1443 O HOH A 444 3998 1385 3119 -547 -494 -95 O +HETATM 1444 O HOH A 445 -44.431 -15.959 2.252 1.00 6.17 O +ANISOU 1444 O HOH A 445 609 802 933 80 -48 -5 O +HETATM 1445 O HOH A 446 -41.009 -16.918 10.834 1.00 12.87 O +ANISOU 1445 O HOH A 446 1370 2012 1508 152 81 -229 O +HETATM 1446 O HOH A 447 -42.902 -17.770 3.790 1.00 7.03 O +ANISOU 1446 O HOH A 447 703 883 1086 38 55 -35 O +HETATM 1447 O HOH A 448 -43.745 -19.816 10.402 1.00 20.58 O +ANISOU 1447 O HOH A 448 2836 2849 2136 -225 191 206 O +HETATM 1448 O HOH A 449 -38.631 -17.070 9.877 1.00 8.51 O +ANISOU 1448 O HOH A 449 996 1257 980 121 -68 86 O +HETATM 1449 O HOH A 450 -40.453 -12.630 8.887 1.00 12.56 O +ANISOU 1449 O HOH A 450 1509 1909 1354 428 252 16 O +HETATM 1450 O HOH A 451 -38.573 -11.657 15.410 1.00 28.62 O +ANISOU 1450 O HOH A 451 4187 3551 3135 1555 700 -227 O +HETATM 1451 O HOH A 452 -32.626 -11.290 13.895 1.00 23.39 O +ANISOU 1451 O HOH A 452 2392 4236 2258 1441 -1232 -1850 O +HETATM 1452 O HOH A 453 -34.434 -17.039 8.637 1.00 10.81 O +ANISOU 1452 O HOH A 453 1545 1084 1477 86 174 -47 O +HETATM 1453 O HOH A 454 -24.480 -14.718 4.721 1.00 13.07 O +ANISOU 1453 O HOH A 454 1057 1225 2682 117 -201 -323 O +HETATM 1454 O HOH A 455 -22.520 -12.264 5.949 1.00 21.36 O +ANISOU 1454 O HOH A 455 1185 1284 5647 -30 303 -679 O +HETATM 1455 O HOH A 456 -24.390 -22.721 11.148 1.00 16.51 O +ANISOU 1455 O HOH A 456 1831 2160 2281 530 2 833 O +HETATM 1456 O HOH A 457 -17.104 -14.411 16.043 1.00 48.98 O +ANISOU 1456 O HOH A 457 4613 8628 5367 -911 -596 -565 O +HETATM 1457 O HOH A 458 -18.529 -13.650 6.869 1.00 34.68 O +ANISOU 1457 O HOH A 458 2323 4765 6089 -243 -846 -2493 O +HETATM 1458 O HOH A 459 -12.914 -19.204 13.900 1.00 30.62 O +ANISOU 1458 O HOH A 459 3792 4320 3520 870 -348 -929 O +HETATM 1459 O HOH A 460 -12.850 -18.825 11.124 1.00 16.49 O +ANISOU 1459 O HOH A 460 1194 1701 3371 113 -505 -771 O +HETATM 1460 O HOH A 461 -14.581 -25.381 12.875 1.00 19.42 O +ANISOU 1460 O HOH A 461 2735 2591 2055 868 -656 303 O +HETATM 1461 O HOH A 462 -17.749 -21.019 16.355 1.00 26.19 O +ANISOU 1461 O HOH A 462 2714 4865 2373 641 -663 -1416 O +HETATM 1462 O HOH A 463 -14.706 -21.365 14.405 1.00 27.43 O +ANISOU 1462 O HOH A 463 2333 4800 3288 -131 -552 -1320 O +HETATM 1463 O HOH A 464 -14.315 -23.516 14.901 1.00 37.51 O +ANISOU 1463 O HOH A 464 5869 5160 3224 -1564 1423 -1681 O +HETATM 1464 O HOH A 465 -8.251 -23.091 12.334 1.00 24.67 O +ANISOU 1464 O HOH A 465 2201 2768 4403 977 -1904 -1828 O +HETATM 1465 O HOH A 466 -10.245 -19.365 10.467 1.00 26.33 O +ANISOU 1465 O HOH A 466 1478 2543 5984 -8 -404 -1575 O +HETATM 1466 O HOH A 467 -11.438 -32.222 11.552 1.00 28.22 O +ANISOU 1466 O HOH A 467 2681 4588 3453 -1141 602 -2271 O +HETATM 1467 O HOH A 468 -9.257 -31.323 10.367 1.00 26.09 O +ANISOU 1467 O HOH A 468 3096 2659 4159 531 961 676 O +HETATM 1468 O HOH A 470 -12.306 -26.462 13.731 1.00 41.95 O +ANISOU 1468 O HOH A 470 3030 7968 4941 1451 -559 1325 O +HETATM 1469 O HOH A 471 -8.695 -22.240 -4.169 1.00 28.22 O +ANISOU 1469 O HOH A 471 1754 5914 3055 110 207 2337 O +HETATM 1470 O HOH A 473 -11.856 -16.735 -0.337 1.00 14.90 O +ANISOU 1470 O HOH A 473 1008 1725 2930 -208 -384 279 O +HETATM 1471 O HOH A 474 -18.622 -31.242 -10.655 1.00 16.27 O +ANISOU 1471 O HOH A 474 2966 1951 1263 -83 466 -49 O +HETATM 1472 O HOH A 475 -23.704 -36.274 0.053 1.00 19.40 O +ANISOU 1472 O HOH A 475 2190 2254 2926 323 -221 295 O +HETATM 1473 O HOH A 476 -21.737 -34.649 -5.368 1.00 14.10 O +ANISOU 1473 O HOH A 476 1803 2214 1341 102 -244 5 O +HETATM 1474 O HOH A 478 -19.383 -35.444 -4.160 1.00 15.07 O +ANISOU 1474 O HOH A 478 1863 1953 1909 358 68 -340 O +HETATM 1475 O HOH A 479 -9.653 -39.027 10.320 1.00 13.60 O +ANISOU 1475 O HOH A 479 1256 2235 1675 -614 259 -455 O +HETATM 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