From 83c82dafc3b96330c8fbf9285cb3eac53535ea86 Mon Sep 17 00:00:00 2001 From: Satvik Mishra <112589278+satvshr@users.noreply.github.com> Date: Fri, 21 Nov 2025 14:53:20 +0530 Subject: [PATCH 1/2] Made required changes --- examples/aptanet_tutorial.ipynb | 6 +- pyaptamer/data/tests/test_loader.py | 2 +- pyaptamer/datasets/__init__.py | 19 +- pyaptamer/datasets/_loaders/__init__.py | 13 +- pyaptamer/datasets/_loaders/_mol_loader.py | 26 + pyaptamer/datasets/_loaders/_one_gnh.py | 43 - pyaptamer/datasets/_loaders/_pfoa.py | 43 - .../datasets/_loaders/_structure_loader.py | 35 + pyaptamer/datasets/data/1brq.pdb | 1884 +++++++++ pyaptamer/datasets/data/5nu7.pdb | 3457 +++++++++++++++++ pyaptamer/datasets/data/pfoa.pdb | 53 - pyaptamer/datasets/tests/test_loaders.py | 19 +- pyaptamer/datasets/tests/test_loaders_mol.py | 8 +- pyaptamer/trafos/encode/_greedy.py | 4 +- pyaptamer/utils/tests/test_struct_to_aaseq.py | 4 +- 15 files changed, 5438 insertions(+), 178 deletions(-) create mode 100644 pyaptamer/datasets/_loaders/_mol_loader.py delete mode 100644 pyaptamer/datasets/_loaders/_one_gnh.py delete mode 100644 pyaptamer/datasets/_loaders/_pfoa.py create mode 100644 pyaptamer/datasets/_loaders/_structure_loader.py create mode 100644 pyaptamer/datasets/data/1brq.pdb create mode 100644 pyaptamer/datasets/data/5nu7.pdb delete mode 100644 pyaptamer/datasets/data/pfoa.pdb diff --git a/examples/aptanet_tutorial.ipynb b/examples/aptanet_tutorial.ipynb index 5559cacc..8f7546a7 100644 --- a/examples/aptanet_tutorial.ipynb +++ b/examples/aptanet_tutorial.ipynb @@ -19,7 +19,7 @@ "\n", "- **pairs_to_features**: helper that converts `(aptamer_sequence, protein_sequence)` pairs into feature vectors using k-mer + PSeAAC.\n", "- **SkorchAptaNet**: a PyTorch MLP wrapped in Skorch for binary classification.\n", - "- **load_pfoa_structure**: helper to load the PFOA molecule structure from PDB file." + "- **structure_loader**: helper to load the PFOA molecule structure from PDB file." ] }, { @@ -48,7 +48,7 @@ "# Data imports\n", "import torch\n", "\n", - "from pyaptamer.datasets import load_1gnh_structure\n", + "from pyaptamer.datasets import structure_loader\n", "from pyaptamer.utils import struct_to_aaseq" ] }, @@ -67,7 +67,7 @@ " \"GCUAGGACGAUCGCACGUGACCGUCAGUAGCGUAGGAGA\",\n", "]\n", "\n", - "gnh = load_1gnh_structure()\n", + "gnh = structure_loader(\"1gnh\")\n", "protein_sequence = struct_to_aaseq(gnh)\n", "\n", "# Build all combinations (aptamer, protein)\n", diff --git a/pyaptamer/data/tests/test_loader.py b/pyaptamer/data/tests/test_loader.py index 8954be68..bac033a2 100644 --- a/pyaptamer/data/tests/test_loader.py +++ b/pyaptamer/data/tests/test_loader.py @@ -6,7 +6,7 @@ # dataset paths relative to pyaptamer root DATA_PATHS = [ - "datasets/data/pfoa.pdb", + "datasets/data/5nu7.pdb", "datasets/data/1gnh.pdb", ] diff --git a/pyaptamer/datasets/__init__.py b/pyaptamer/datasets/__init__.py index 1b686d0f..f78d2063 100644 --- a/pyaptamer/datasets/__init__.py +++ b/pyaptamer/datasets/__init__.py @@ -1,24 +1,21 @@ """Contains datasets along with their loaders.""" -from pyaptamer.datasets._loaders._aptacom_loader import ( +from pyaptamer.datasets._loaders import ( load_aptacom_full, load_aptacom_xy, + load_csv_dataset, + load_from_rcsb, + load_hf_dataset, + mol_loader, + structure_loader, ) -from pyaptamer.datasets._loaders._csv_loader import load_csv_dataset -from pyaptamer.datasets._loaders._hf_loader import load_hf_dataset -from pyaptamer.datasets._loaders._one_gnh import load_1gnh, load_1gnh_structure -from pyaptamer.datasets._loaders._online_databank import load_from_rcsb -from pyaptamer.datasets._loaders._pfoa import load_pfoa, load_pfoa_structure __all__ = [ "load_aptacom_full", "load_aptacom_xy", "load_csv_dataset", "load_hf_dataset", - "load_pfoa", - "load_pfoa_structure", - "load_1gnh", - "load_1gnh_structure", "load_from_rcsb", - "load_csv_dataset", + "mol_loader", + "structure_loader", ] diff --git a/pyaptamer/datasets/_loaders/__init__.py b/pyaptamer/datasets/_loaders/__init__.py index 536d2394..07deba59 100644 --- a/pyaptamer/datasets/_loaders/__init__.py +++ b/pyaptamer/datasets/_loaders/__init__.py @@ -6,17 +6,16 @@ ) from pyaptamer.datasets._loaders._csv_loader import load_csv_dataset from pyaptamer.datasets._loaders._hf_loader import load_hf_dataset -from pyaptamer.datasets._loaders._one_gnh import load_1gnh_structure -from pyaptamer.datasets._loaders._pfoa import load_pfoa_structure +from pyaptamer.datasets._loaders._mol_loader import mol_loader +from pyaptamer.datasets._loaders._online_databank import load_from_rcsb +from pyaptamer.datasets._loaders._structure_loader import structure_loader __all__ = [ - "load_pfoa_structure", - "load_1gnh_structure", "load_aptacom_full", "load_aptacom_xy", "load_csv_dataset", + "load_from_rcsb", "load_hf_dataset", - "load_pfoa_structure", - "load_1gnh", - "load_1gnh_structure", + "mol_loader", + "structure_loader", ] diff --git a/pyaptamer/datasets/_loaders/_mol_loader.py b/pyaptamer/datasets/_loaders/_mol_loader.py new file mode 100644 index 00000000..23d7b8c7 --- /dev/null +++ b/pyaptamer/datasets/_loaders/_mol_loader.py @@ -0,0 +1,26 @@ +__author__ = "satvshr" +__all__ = ["mol_loader"] +import os + + +def mol_loader(pdb_name): + """Create a MoleculeLoader for a packaged PDB file. + + This convenience factory constructs a MoleculeLoader pointing to a PDB file + packaged with the distribution under pyaptamer/datasets/data/{pdb_name}.pdb. + + Parameters + ---------- + pdb_name : str + Basename of the packaged PDB file (without the ".pdb" extension). + + Returns + ------- + loader : MoleculeLoader + A MoleculeLoader object for the requested packaged PDB file. + """ + from pyaptamer.data.loader import MoleculeLoader + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", f"{pdb_name}.pdb") + + return MoleculeLoader(pdb_path) diff --git a/pyaptamer/datasets/_loaders/_one_gnh.py b/pyaptamer/datasets/_loaders/_one_gnh.py deleted file mode 100644 index 263af732..00000000 --- a/pyaptamer/datasets/_loaders/_one_gnh.py +++ /dev/null @@ -1,43 +0,0 @@ -__author__ = ["satvshr", "fkiraly"] -__all__ = ["load_1gnh", "load_1gnh_structure"] - -import os - - -def load_1gnh(): - """Load the 1GNH molecule as a MoleculeLoader. - - Returns - ------- - loader : MoleculeLoader - A MoleculeLoader object representing the 1GNH molecule. - """ - from pyaptamer.data.loader import MoleculeLoader - - pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "1gnh.pdb") - - return MoleculeLoader(pdb_path) - - -def load_1gnh_structure(pdb_path=None): - """ - Load the 1gnh molecule from a PDB file using Biopython. - - Parameters - ---------- - pdb_path : str, optional - Path to the PDB file. If not provided, the function uses the default path - located in the '../data/1gnh.pdb' relative to the current file. - - Returns - ------- - structure : Bio.PDB.Structure.Structure - A Biopython Structure object representing the PFOA molecule. - """ - from Bio.PDB import PDBParser - - pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "1gnh.pdb") - - parser = PDBParser(QUIET=True) - structure = parser.get_structure("1gnh", pdb_path) - return structure diff --git a/pyaptamer/datasets/_loaders/_pfoa.py b/pyaptamer/datasets/_loaders/_pfoa.py deleted file mode 100644 index eef465db..00000000 --- a/pyaptamer/datasets/_loaders/_pfoa.py +++ /dev/null @@ -1,43 +0,0 @@ -__author__ = ["satvshr", "fkiraly"] -__all__ = ["load_pfoa", "load_pfoa_structure"] - -import os - - -def load_pfoa(): - """Load the PFOA molecule as a MoleculeLoader. - - Returns - ------- - loader : MoleculeLoader - A MoleculeLoader object representing the PFOA molecule. - """ - from pyaptamer.data.loader import MoleculeLoader - - pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "pfoa.pdb") - - return MoleculeLoader(pdb_path) - - -def load_pfoa_structure(pdb_path=None): - """ - Load the PFOA molecule from a PDB file using Biopython. - - Parameters - ---------- - pdb_path : str, optional - Path to the PDB file. If not provided, the function uses the default path - located in the '../data/pfoa.pdb' relative to the current file. - - Returns - ------- - structure : Bio.PDB.Structure.Structure - A Biopython Structure object representing the PFOA molecule. - """ - from Bio.PDB import PDBParser - - pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "pfoa.pdb") - - parser = PDBParser(QUIET=True) - structure = parser.get_structure("PFOA", pdb_path) - return structure diff --git a/pyaptamer/datasets/_loaders/_structure_loader.py b/pyaptamer/datasets/_loaders/_structure_loader.py new file mode 100644 index 00000000..42f8177f --- /dev/null +++ b/pyaptamer/datasets/_loaders/_structure_loader.py @@ -0,0 +1,35 @@ +import os + +from Bio.PDB import PDBParser + + +def structure_loader(pdb_name): + """ + Load a packaged PDB file from pyaptamer/datasets/data as a Biopython Structure. + + This loader only loads PDB files bundled with the package. It looks for + the file "/pyaptamer/datasets/data/{pdb_name}.pdb" and parses it + with Bio.PDB.PDBParser. + + Parameters + ---------- + pdb_name : str, optional + Basename of the packaged PDB file (without the ".pdb" extension). + + Returns + ------- + Bio.PDB.Structure.Structure + Parsed Biopython Structure object. + + Raises + ------ + FileNotFoundError + If the requested packaged PDB file does not exist. + """ + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", f"{pdb_name}.pdb") + if not os.path.exists(pdb_path): + raise FileNotFoundError(f"Packaged PDB not found: {pdb_path}") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure(pdb_name, pdb_path) + return structure diff --git a/pyaptamer/datasets/data/1brq.pdb b/pyaptamer/datasets/data/1brq.pdb new file mode 100644 index 00000000..46a61672 --- /dev/null +++ b/pyaptamer/datasets/data/1brq.pdb @@ -0,0 +1,1884 @@ +HEADER RETINOL TRANSPORT 27-JUL-92 1BRQ +TITLE CRYSTAL STRUCTURE OF THE TRIGONAL FORM OF HUMAN PLASMA RETINOL-BINDING +TITLE 2 PROTEIN AT 2.5 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: RETINOL BINDING PROTEIN; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606 +KEYWDS RETINOL TRANSPORT +EXPDTA X-RAY DIFFRACTION +AUTHOR G.ZANOTTI,H.L.MONACO +REVDAT 5 16-OCT-24 1BRQ 1 REMARK +REVDAT 4 29-NOV-17 1BRQ 1 HELIX +REVDAT 3 24-FEB-09 1BRQ 1 VERSN +REVDAT 2 01-APR-03 1BRQ 1 JRNL +REVDAT 1 31-JAN-94 1BRQ 0 +JRNL AUTH G.ZANOTTI,S.OTTONELLO,R.BERNI,H.L.MONACO +JRNL TITL CRYSTAL STRUCTURE OF THE TRIGONAL FORM OF HUMAN PLASMA +JRNL TITL 2 RETINOL-BINDING PROTEIN AT 2.5 A RESOLUTION. +JRNL REF J.MOL.BIOL. V. 230 613 1993 +JRNL REFN ISSN 0022-2836 +JRNL PMID 8464067 +JRNL DOI 10.1006/JMBI.1993.1173 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH H.L.MONACO,G.ZANOTTI,S.OTTONELLO,R.BERNI +REMARK 1 TITL CRYSTALLIZATION OF HUMAN PLASMA APO-RETINOL-BINDING PROTEIN +REMARK 1 REF J.MOL.BIOL. V. 178 477 1984 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH S.OTTONELLO,G.MARAINI,M.MAMMI,H.L.MONACO,P.SPADON,G.ZANOTTI +REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY DATA OF HUMAN PLASMA +REMARK 1 TITL 2 RETINOL-BINDING PROTEIN +REMARK 1 REF J.MOL.BIOL. V. 163 679 1983 +REMARK 1 REFN ISSN 0022-2836 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 9614 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.190 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +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 : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1408 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 55 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.007 +REMARK 3 BOND ANGLES (DEGREES) : 2.700 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1BRQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000172037. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 66.83 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.71 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z +REMARK 290 3555 -X+Y,-X,Z +REMARK 290 4555 X+2/3,Y+1/3,Z+1/3 +REMARK 290 5555 -Y+2/3,X-Y+1/3,Z+1/3 +REMARK 290 6555 -X+Y+2/3,-X+1/3,Z+1/3 +REMARK 290 7555 X+1/3,Y+2/3,Z+2/3 +REMARK 290 8555 -Y+1/3,X-Y+2/3,Z+2/3 +REMARK 290 9555 -X+Y+1/3,-X+2/3,Z+2/3 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 52.10000 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 30.07995 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 24.83333 +REMARK 290 SMTRY1 5 -0.500000 -0.866025 0.000000 52.10000 +REMARK 290 SMTRY2 5 0.866025 -0.500000 0.000000 30.07995 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 24.83333 +REMARK 290 SMTRY1 6 -0.500000 0.866025 0.000000 52.10000 +REMARK 290 SMTRY2 6 -0.866025 -0.500000 0.000000 30.07995 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 24.83333 +REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 60.15990 +REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 49.66667 +REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 60.15990 +REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 49.66667 +REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 60.15990 +REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 49.66667 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 176 +REMARK 465 ARG A 177 +REMARK 465 SER A 178 +REMARK 465 GLU A 179 +REMARK 465 ARG A 180 +REMARK 465 ASN A 181 +REMARK 465 LEU A 182 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ASP A 175 CA C O CB CG OD1 OD2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 GLU A 81 CD GLU A 81 OE2 0.077 +REMARK 500 GLU A 147 CD GLU A 147 OE2 0.078 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASP A 3 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES +REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = -5.0 DEGREES +REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = 3.2 DEGREES +REMARK 500 ASP A 31 CB - CG - OD1 ANGL. DEV. = -5.9 DEGREES +REMARK 500 ASP A 31 CB - CG - OD2 ANGL. DEV. = 6.2 DEGREES +REMARK 500 ASP A 48 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES +REMARK 500 ASP A 48 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES +REMARK 500 ASP A 68 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES +REMARK 500 ASP A 72 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES +REMARK 500 ASP A 79 CB - CG - OD1 ANGL. DEV. = -5.6 DEGREES +REMARK 500 ASP A 103 CB - CG - OD1 ANGL. DEV. = -5.6 DEGREES +REMARK 500 ASP A 126 CB - CG - OD1 ANGL. DEV. = 6.4 DEGREES +REMARK 500 ASP A 126 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES +REMARK 500 ASP A 131 CB - CG - OD1 ANGL. DEV. = -6.2 DEGREES +REMARK 500 ASP A 131 CB - CG - OD2 ANGL. DEV. = 6.1 DEGREES +REMARK 500 ARG A 139 CD - NE - CZ ANGL. DEV. = 11.1 DEGREES +REMARK 500 ARG A 139 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES +REMARK 500 ARG A 139 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES +REMARK 500 ARG A 155 N - CA - CB ANGL. DEV. = 10.8 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 SER A 7 -5.17 -50.34 +REMARK 500 SER A 21 155.31 -36.54 +REMARK 500 LEU A 37 92.41 68.52 +REMARK 500 THR A 50 -41.81 -176.75 +REMARK 500 LYS A 58 133.96 -170.23 +REMARK 500 LEU A 63 -175.70 -65.83 +REMARK 500 ASN A 66 104.77 83.42 +REMARK 500 TRP A 67 99.44 176.48 +REMARK 500 ASP A 79 178.82 -48.30 +REMARK 500 SER A 95 -15.46 -46.21 +REMARK 500 ASP A 108 147.97 -171.22 +REMARK 500 TYR A 111 -33.87 72.58 +REMARK 500 THR A 113 -52.56 -129.74 +REMARK 500 ASP A 131 97.42 -170.51 +REMARK 500 PRO A 141 13.82 -64.96 +REMARK 500 GLN A 164 -14.67 -143.13 +REMARK 500 TYR A 173 -73.16 -48.15 +REMARK 500 CYS A 174 96.76 -42.03 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 700 +REMARK 700 SHEET +REMARK 700 THE SHEET PRESENTED AS *S1* ON SHEET RECORDS BELOW IS +REMARK 700 ACTUALLY AN EIGHT-STRANDED BETA-BARREL. THIS IS +REMARK 700 REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST +REMARK 700 AND LAST STRANDS ARE IDENTICAL. +DBREF 1BRQ A 1 182 UNP P02753 RETBP_HUMAN 17 198 +SEQRES 1 A 182 GLU ARG ASP CYS ARG VAL SER SER PHE ARG VAL LYS GLU +SEQRES 2 A 182 ASN PHE ASP LYS ALA ARG PHE SER GLY THR TRP TYR ALA +SEQRES 3 A 182 MET ALA LYS LYS ASP PRO GLU GLY LEU PHE LEU GLN ASP +SEQRES 4 A 182 ASN ILE VAL ALA GLU PHE SER VAL ASP GLU THR GLY GLN +SEQRES 5 A 182 MET SER ALA THR ALA LYS GLY ARG VAL ARG LEU LEU ASN +SEQRES 6 A 182 ASN TRP ASP VAL CYS ALA ASP MET VAL GLY THR PHE THR +SEQRES 7 A 182 ASP THR GLU ASP PRO ALA LYS PHE LYS MET LYS TYR TRP +SEQRES 8 A 182 GLY VAL ALA SER PHE LEU GLN LYS GLY ASN ASP ASP HIS +SEQRES 9 A 182 TRP ILE VAL ASP THR ASP TYR ASP THR TYR ALA VAL GLN +SEQRES 10 A 182 TYR SER CYS ARG LEU LEU ASN LEU ASP GLY THR CYS ALA +SEQRES 11 A 182 ASP SER TYR SER PHE VAL PHE SER ARG ASP PRO ASN GLY +SEQRES 12 A 182 LEU PRO PRO GLU ALA GLN LYS ILE VAL ARG GLN ARG GLN +SEQRES 13 A 182 GLU GLU LEU CYS LEU ALA ARG GLN TYR ARG LEU ILE VAL +SEQRES 14 A 182 HIS ASN GLY TYR CYS ASP GLY ARG SER GLU ARG ASN LEU +FORMUL 2 HOH *55(H2 O) +HELIX 1 1 VAL A 6 SER A 8 4ONE SHORT TURN 3 +HELIX 2 2 PRO A 146 GLU A 158 1 13 +SHEET 1 S1 9 GLY A 22 LYS A 30 0 +SHEET 2 S1 9 ASP A 39 ASP A 48 -1 O ILE A 41 N ALA A 26 +SHEET 3 S1 9 GLN A 52 LEU A 63 -1 O GLN A 52 N ASP A 48 +SHEET 4 S1 9 TRP A 67 THR A 78 -1 O TRP A 67 N LEU A 63 +SHEET 5 S1 9 LYS A 85 GLY A 92 -1 N LYS A 87 O THR A 78 +SHEET 6 S1 9 LYS A 99 THR A 109 -1 N GLY A 100 O TYR A 90 +SHEET 7 S1 9 TYR A 114 ASN A 124 -1 +SHEET 8 S1 9 CYS A 129 ARG A 139 -1 N ALA A 130 O LEU A 122 +SHEET 9 S1 9 GLY A 22 LYS A 30 -1 N TYR A 25 O SER A 138 +SSBOND 1 CYS A 4 CYS A 160 1555 1555 2.03 +SSBOND 2 CYS A 70 CYS A 174 1555 1555 2.04 +SSBOND 3 CYS A 120 CYS A 129 1555 1555 1.98 +CRYST1 104.200 104.200 74.500 90.00 90.00 120.00 H 3 9 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.009597 0.005541 0.000000 0.00000 +SCALE2 0.000000 0.011082 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013423 0.00000 +ATOM 1 N GLU A 1 22.628 21.325 -30.278 1.00100.00 N +ATOM 2 CA GLU A 1 23.650 21.705 -29.321 1.00100.00 C +ATOM 3 C GLU A 1 23.448 23.124 -28.822 1.00100.00 C +ATOM 4 O GLU A 1 23.124 23.340 -27.652 1.00100.00 O +ATOM 5 CB GLU A 1 25.082 21.518 -29.866 1.00100.00 C +ATOM 6 CG GLU A 1 26.074 20.963 -28.822 1.00100.00 C +ATOM 7 CD GLU A 1 26.778 22.015 -28.004 1.00100.00 C +ATOM 8 OE1 GLU A 1 27.781 22.602 -28.371 1.00100.00 O +ATOM 9 OE2 GLU A 1 26.236 22.187 -26.826 1.00100.00 O +ATOM 10 N ARG A 2 23.639 24.087 -29.724 1.00100.00 N +ATOM 11 CA ARG A 2 23.474 25.477 -29.356 1.00 86.23 C +ATOM 12 C ARG A 2 22.100 25.896 -28.869 1.00100.00 C +ATOM 13 O ARG A 2 21.046 25.508 -29.394 1.00 44.00 O +ATOM 14 CB ARG A 2 24.302 26.524 -30.094 1.00 80.18 C +ATOM 15 CG ARG A 2 23.879 27.968 -29.835 1.00100.00 C +ATOM 16 CD ARG A 2 23.161 28.567 -31.039 1.00 92.97 C +ATOM 17 NE ARG A 2 22.251 27.599 -31.642 1.00 93.42 N +ATOM 18 CZ ARG A 2 22.446 26.964 -32.796 1.00 93.84 C +ATOM 19 NH1 ARG A 2 23.525 27.158 -33.550 1.00 90.81 N +ATOM 20 NH2 ARG A 2 21.518 26.103 -33.208 1.00100.00 N +ATOM 21 N ASP A 3 22.217 26.706 -27.819 1.00 40.50 N +ATOM 22 CA ASP A 3 21.156 27.317 -27.054 1.00 28.36 C +ATOM 23 C ASP A 3 20.503 28.440 -27.810 1.00 65.96 C +ATOM 24 O ASP A 3 21.146 29.150 -28.588 1.00 28.73 O +ATOM 25 CB ASP A 3 21.712 27.884 -25.743 1.00 37.32 C +ATOM 26 CG ASP A 3 20.754 27.702 -24.614 1.00 69.75 C +ATOM 27 OD1 ASP A 3 19.612 27.321 -24.784 1.00 56.01 O +ATOM 28 OD2 ASP A 3 21.291 27.975 -23.451 1.00 54.96 O +ATOM 29 N CYS A 4 19.214 28.565 -27.534 1.00 1.00 N +ATOM 30 CA CYS A 4 18.435 29.590 -28.176 1.00 1.64 C +ATOM 31 C CYS A 4 17.827 30.578 -27.207 1.00 1.00 C +ATOM 32 O CYS A 4 16.989 31.382 -27.588 1.00 21.59 O +ATOM 33 CB CYS A 4 17.365 29.007 -29.094 1.00 11.19 C +ATOM 34 SG CYS A 4 17.909 28.637 -30.774 1.00 20.31 S +ATOM 35 N ARG A 5 18.267 30.519 -25.957 1.00 55.14 N +ATOM 36 CA ARG A 5 17.786 31.401 -24.912 1.00 5.23 C +ATOM 37 C ARG A 5 18.593 32.689 -24.812 1.00 24.98 C +ATOM 38 O ARG A 5 19.820 32.671 -24.673 1.00 23.14 O +ATOM 39 CB ARG A 5 17.841 30.701 -23.565 1.00 1.00 C +ATOM 40 CG ARG A 5 16.752 29.671 -23.305 1.00 33.34 C +ATOM 41 CD ARG A 5 17.123 28.905 -22.043 1.00 14.01 C +ATOM 42 NE ARG A 5 18.561 29.019 -21.837 1.00 39.86 N +ATOM 43 CZ ARG A 5 19.233 28.104 -21.169 1.00 77.60 C +ATOM 44 NH1 ARG A 5 18.508 27.097 -20.702 1.00 30.78 N +ATOM 45 NH2 ARG A 5 20.550 28.163 -20.960 1.00 30.99 N +ATOM 46 N VAL A 6 17.875 33.812 -24.866 1.00 47.00 N +ATOM 47 CA VAL A 6 18.460 35.142 -24.793 1.00 16.58 C +ATOM 48 C VAL A 6 19.667 35.351 -23.901 1.00 12.47 C +ATOM 49 O VAL A 6 20.761 35.704 -24.359 1.00 26.87 O +ATOM 50 CB VAL A 6 17.474 36.293 -24.762 1.00 1.11 C +ATOM 51 CG1 VAL A 6 18.208 37.620 -24.602 1.00 9.97 C +ATOM 52 CG2 VAL A 6 16.711 36.307 -26.083 1.00 32.54 C +ATOM 53 N SER A 7 19.487 35.137 -22.611 1.00 13.87 N +ATOM 54 CA SER A 7 20.580 35.317 -21.673 1.00 71.97 C +ATOM 55 C SER A 7 21.876 34.609 -22.052 1.00 29.57 C +ATOM 56 O SER A 7 22.877 34.779 -21.359 1.00 34.45 O +ATOM 57 CB SER A 7 20.149 34.823 -20.307 1.00 28.30 C +ATOM 58 OG SER A 7 19.606 33.532 -20.481 1.00 10.01 O +ATOM 59 N SER A 8 21.852 33.820 -23.130 1.00 32.94 N +ATOM 60 CA SER A 8 23.008 33.080 -23.588 1.00 1.00 C +ATOM 61 C SER A 8 23.746 33.738 -24.725 1.00 31.11 C +ATOM 62 O SER A 8 24.938 33.507 -24.894 1.00 16.71 O +ATOM 63 CB SER A 8 22.615 31.662 -23.964 1.00 30.28 C +ATOM 64 OG SER A 8 22.639 31.491 -25.370 1.00 23.18 O +ATOM 65 N PHE A 9 23.010 34.537 -25.490 1.00 13.48 N +ATOM 66 CA PHE A 9 23.564 35.240 -26.625 1.00 2.00 C +ATOM 67 C PHE A 9 24.849 35.946 -26.224 1.00 5.94 C +ATOM 68 O PHE A 9 24.953 36.580 -25.172 1.00 27.62 O +ATOM 69 CB PHE A 9 22.527 36.117 -27.392 1.00 3.94 C +ATOM 70 CG PHE A 9 21.410 35.322 -28.048 1.00 1.00 C +ATOM 71 CD1 PHE A 9 21.458 33.927 -28.084 1.00 11.93 C +ATOM 72 CD2 PHE A 9 20.298 35.935 -28.623 1.00 43.33 C +ATOM 73 CE1 PHE A 9 20.448 33.173 -28.673 1.00 5.97 C +ATOM 74 CE2 PHE A 9 19.270 35.198 -29.223 1.00 8.61 C +ATOM 75 CZ PHE A 9 19.348 33.806 -29.255 1.00 10.48 C +ATOM 76 N ARG A 10 25.865 35.821 -27.055 1.00 18.69 N +ATOM 77 CA ARG A 10 27.096 36.480 -26.690 1.00 12.73 C +ATOM 78 C ARG A 10 26.986 37.876 -27.240 1.00 13.75 C +ATOM 79 O ARG A 10 26.122 38.158 -28.067 1.00 25.83 O +ATOM 80 CB ARG A 10 28.350 35.807 -27.241 1.00 38.32 C +ATOM 81 CG ARG A 10 29.328 35.301 -26.179 1.00100.00 C +ATOM 82 CD ARG A 10 30.778 35.277 -26.665 1.00100.00 C +ATOM 83 NE ARG A 10 31.774 35.047 -25.615 1.00100.00 N +ATOM 84 CZ ARG A 10 32.923 35.716 -25.476 1.00100.00 C +ATOM 85 NH1 ARG A 10 33.233 36.687 -26.332 1.00100.00 N +ATOM 86 NH2 ARG A 10 33.780 35.441 -24.495 1.00100.00 N +ATOM 87 N VAL A 11 27.862 38.735 -26.769 1.00 30.90 N +ATOM 88 CA VAL A 11 27.844 40.091 -27.240 1.00 27.94 C +ATOM 89 C VAL A 11 29.270 40.583 -27.371 1.00 5.45 C +ATOM 90 O VAL A 11 30.212 39.884 -26.993 1.00 57.31 O +ATOM 91 CB VAL A 11 26.896 41.000 -26.464 1.00 10.40 C +ATOM 92 CG1 VAL A 11 25.473 40.694 -26.893 1.00 7.12 C +ATOM 93 CG2 VAL A 11 27.007 40.760 -24.963 1.00 39.45 C +ATOM 94 N LYS A 12 29.418 41.782 -27.921 1.00 47.15 N +ATOM 95 CA LYS A 12 30.742 42.328 -28.098 1.00 16.01 C +ATOM 96 C LYS A 12 31.423 42.742 -26.807 1.00 11.93 C +ATOM 97 O LYS A 12 31.097 43.753 -26.183 1.00 36.85 O +ATOM 98 CB LYS A 12 30.842 43.384 -29.185 1.00 17.15 C +ATOM 99 CG LYS A 12 32.239 43.966 -29.299 1.00 10.41 C +ATOM 100 CD LYS A 12 33.130 43.058 -30.131 1.00 12.06 C +ATOM 101 CE LYS A 12 34.392 43.711 -30.671 1.00 19.09 C +ATOM 102 NZ LYS A 12 35.472 42.745 -30.933 1.00 71.60 N +ATOM 103 N GLU A 13 32.386 41.901 -26.450 1.00 32.95 N +ATOM 104 CA GLU A 13 33.215 42.041 -25.276 1.00 9.05 C +ATOM 105 C GLU A 13 33.878 43.408 -25.383 1.00 99.32 C +ATOM 106 O GLU A 13 34.252 43.801 -26.487 1.00 5.91 O +ATOM 107 CB GLU A 13 34.248 40.899 -25.374 1.00 21.51 C +ATOM 108 CG GLU A 13 35.134 41.022 -26.635 1.00 93.61 C +ATOM 109 CD GLU A 13 34.641 40.486 -27.964 1.00100.00 C +ATOM 110 OE1 GLU A 13 33.591 39.885 -28.171 1.00 41.75 O +ATOM 111 OE2 GLU A 13 35.524 40.732 -28.904 1.00 51.00 O +ATOM 112 N ASN A 14 34.011 44.143 -24.278 1.00 23.17 N +ATOM 113 CA ASN A 14 34.632 45.459 -24.344 1.00100.00 C +ATOM 114 C ASN A 14 34.104 46.388 -25.447 1.00 9.26 C +ATOM 115 O ASN A 14 34.895 47.079 -26.086 1.00 75.98 O +ATOM 116 CB ASN A 14 36.163 45.289 -24.465 1.00 12.47 C +ATOM 117 CG ASN A 14 36.705 44.411 -23.352 1.00100.00 C +ATOM 118 OD1 ASN A 14 36.105 44.360 -22.266 1.00100.00 O +ATOM 119 ND2 ASN A 14 37.805 43.698 -23.611 1.00 37.58 N +ATOM 120 N PHE A 15 32.801 46.446 -25.714 1.00 13.65 N +ATOM 121 CA PHE A 15 32.291 47.324 -26.780 1.00 25.49 C +ATOM 122 C PHE A 15 32.743 48.789 -26.758 1.00 39.05 C +ATOM 123 O PHE A 15 32.548 49.506 -25.779 1.00 23.14 O +ATOM 124 CB PHE A 15 30.760 47.215 -27.012 1.00 1.00 C +ATOM 125 CG PHE A 15 30.235 48.210 -28.016 1.00 10.77 C +ATOM 126 CD1 PHE A 15 30.516 48.061 -29.372 1.00 3.90 C +ATOM 127 CD2 PHE A 15 29.460 49.307 -27.618 1.00 1.00 C +ATOM 128 CE1 PHE A 15 30.054 48.965 -30.331 1.00 20.83 C +ATOM 129 CE2 PHE A 15 28.984 50.219 -28.558 1.00 72.39 C +ATOM 130 CZ PHE A 15 29.282 50.050 -29.911 1.00 6.17 C +ATOM 131 N ASP A 16 33.345 49.279 -27.843 1.00 32.42 N +ATOM 132 CA ASP A 16 33.775 50.671 -27.873 1.00 25.60 C +ATOM 133 C ASP A 16 32.940 51.579 -28.776 1.00 24.84 C +ATOM 134 O ASP A 16 32.901 51.469 -30.006 1.00 38.83 O +ATOM 135 CB ASP A 16 35.293 50.961 -27.797 1.00 44.57 C +ATOM 136 CG ASP A 16 35.735 52.256 -28.426 1.00 14.08 C +ATOM 137 OD1 ASP A 16 35.235 53.335 -27.883 1.00 42.65 O +ATOM 138 OD2 ASP A 16 36.474 52.296 -29.379 1.00 37.83 O +ATOM 139 N LYS A 17 32.244 52.500 -28.123 1.00 37.28 N +ATOM 140 CA LYS A 17 31.374 53.454 -28.785 1.00 98.40 C +ATOM 141 C LYS A 17 32.015 54.279 -29.872 1.00 22.47 C +ATOM 142 O LYS A 17 31.560 54.297 -31.018 1.00 57.34 O +ATOM 143 CB LYS A 17 30.878 54.414 -27.744 1.00 20.26 C +ATOM 144 CG LYS A 17 30.361 53.608 -26.579 1.00 83.63 C +ATOM 145 CD LYS A 17 29.028 54.132 -26.104 1.00 29.79 C +ATOM 146 CE LYS A 17 29.081 54.360 -24.612 1.00 6.92 C +ATOM 147 NZ LYS A 17 28.336 55.561 -24.225 1.00100.00 N +ATOM 148 N ALA A 18 33.062 54.954 -29.425 1.00 41.70 N +ATOM 149 CA ALA A 18 33.880 55.823 -30.231 1.00 13.01 C +ATOM 150 C ALA A 18 34.159 55.136 -31.547 1.00100.00 C +ATOM 151 O ALA A 18 33.779 55.627 -32.610 1.00 7.74 O +ATOM 152 CB ALA A 18 35.196 56.017 -29.497 1.00 30.57 C +ATOM 153 N ARG A 19 34.815 53.983 -31.412 1.00 18.68 N +ATOM 154 CA ARG A 19 35.187 53.154 -32.539 1.00 43.02 C +ATOM 155 C ARG A 19 34.024 52.844 -33.473 1.00 25.74 C +ATOM 156 O ARG A 19 34.250 52.750 -34.678 1.00 37.56 O +ATOM 157 CB ARG A 19 35.872 51.870 -32.089 1.00 74.96 C +ATOM 158 CG ARG A 19 37.387 51.994 -31.986 1.00 39.11 C +ATOM 159 CD ARG A 19 38.045 50.686 -31.558 1.00 76.59 C +ATOM 160 NE ARG A 19 38.427 49.758 -32.627 1.00 61.53 N +ATOM 161 CZ ARG A 19 38.486 49.963 -33.949 1.00 63.65 C +ATOM 162 NH1 ARG A 19 38.168 51.132 -34.497 1.00 38.80 N +ATOM 163 NH2 ARG A 19 38.859 48.992 -34.778 1.00 48.52 N +ATOM 164 N PHE A 20 32.821 52.698 -32.886 1.00 48.72 N +ATOM 165 CA PHE A 20 31.552 52.387 -33.541 1.00 1.00 C +ATOM 166 C PHE A 20 30.949 53.473 -34.403 1.00 34.07 C +ATOM 167 O PHE A 20 30.438 53.193 -35.488 1.00 49.32 O +ATOM 168 CB PHE A 20 30.470 51.891 -32.557 1.00 44.98 C +ATOM 169 CG PHE A 20 29.328 51.187 -33.253 1.00 26.96 C +ATOM 170 CD1 PHE A 20 29.533 49.933 -33.834 1.00 10.31 C +ATOM 171 CD2 PHE A 20 28.054 51.752 -33.343 1.00 20.24 C +ATOM 172 CE1 PHE A 20 28.505 49.253 -34.496 1.00 12.62 C +ATOM 173 CE2 PHE A 20 27.011 51.092 -33.996 1.00 8.74 C +ATOM 174 CZ PHE A 20 27.243 49.842 -34.570 1.00 17.45 C +ATOM 175 N SER A 21 31.008 54.689 -33.877 1.00 30.67 N +ATOM 176 CA SER A 21 30.494 55.887 -34.510 1.00 59.09 C +ATOM 177 C SER A 21 30.673 55.911 -36.008 1.00 18.82 C +ATOM 178 O SER A 21 31.552 55.271 -36.573 1.00 37.52 O +ATOM 179 CB SER A 21 31.204 57.101 -33.966 1.00 5.52 C +ATOM 180 OG SER A 21 31.682 56.801 -32.674 1.00 42.66 O +ATOM 181 N GLY A 22 29.820 56.670 -36.654 1.00 23.33 N +ATOM 182 CA GLY A 22 29.963 56.724 -38.075 1.00 15.64 C +ATOM 183 C GLY A 22 28.765 56.138 -38.765 1.00 11.35 C +ATOM 184 O GLY A 22 27.803 55.704 -38.126 1.00 33.78 O +ATOM 185 N THR A 23 28.908 56.162 -40.087 1.00 13.92 N +ATOM 186 CA THR A 23 27.930 55.680 -41.024 1.00 1.00 C +ATOM 187 C THR A 23 28.011 54.183 -41.215 1.00 14.70 C +ATOM 188 O THR A 23 29.101 53.646 -41.391 1.00 17.22 O +ATOM 189 CB THR A 23 28.092 56.411 -42.354 1.00 15.58 C +ATOM 190 OG1 THR A 23 28.003 57.808 -42.130 1.00 38.51 O +ATOM 191 CG2 THR A 23 27.009 55.945 -43.318 1.00 10.63 C +ATOM 192 N TRP A 24 26.822 53.572 -41.161 1.00 11.86 N +ATOM 193 CA TRP A 24 26.557 52.150 -41.319 1.00 4.66 C +ATOM 194 C TRP A 24 25.380 51.990 -42.260 1.00 32.98 C +ATOM 195 O TRP A 24 24.381 52.697 -42.118 1.00 14.86 O +ATOM 196 CB TRP A 24 26.168 51.450 -40.000 1.00 1.00 C +ATOM 197 CG TRP A 24 27.297 51.320 -39.033 1.00 8.79 C +ATOM 198 CD1 TRP A 24 27.525 52.099 -37.941 1.00 30.06 C +ATOM 199 CD2 TRP A 24 28.343 50.346 -39.068 1.00 1.00 C +ATOM 200 NE1 TRP A 24 28.654 51.677 -37.281 1.00 16.60 N +ATOM 201 CE2 TRP A 24 29.185 50.610 -37.964 1.00 15.47 C +ATOM 202 CE3 TRP A 24 28.649 49.304 -39.931 1.00 58.79 C +ATOM 203 CZ2 TRP A 24 30.319 49.852 -37.721 1.00 1.00 C +ATOM 204 CZ3 TRP A 24 29.764 48.547 -39.673 1.00 5.98 C +ATOM 205 CH2 TRP A 24 30.587 48.816 -38.581 1.00 85.07 C +ATOM 206 N TYR A 25 25.536 51.056 -43.195 1.00 11.99 N +ATOM 207 CA TYR A 25 24.550 50.711 -44.201 1.00 16.02 C +ATOM 208 C TYR A 25 23.933 49.365 -43.874 1.00 44.75 C +ATOM 209 O TYR A 25 24.608 48.364 -43.664 1.00 21.42 O +ATOM 210 CB TYR A 25 25.141 50.640 -45.623 1.00 27.22 C +ATOM 211 CG TYR A 25 25.634 51.984 -46.073 1.00 9.72 C +ATOM 212 CD1 TYR A 25 26.918 52.414 -45.732 1.00 50.31 C +ATOM 213 CD2 TYR A 25 24.820 52.829 -46.827 1.00 12.67 C +ATOM 214 CE1 TYR A 25 27.386 53.661 -46.144 1.00 35.49 C +ATOM 215 CE2 TYR A 25 25.271 54.081 -47.243 1.00 47.33 C +ATOM 216 CZ TYR A 25 26.558 54.491 -46.896 1.00 14.16 C +ATOM 217 OH TYR A 25 27.015 55.717 -47.299 1.00 98.15 O +ATOM 218 N ALA A 26 22.622 49.329 -43.838 1.00 27.51 N +ATOM 219 CA ALA A 26 21.986 48.085 -43.528 1.00 4.81 C +ATOM 220 C ALA A 26 21.913 47.093 -44.687 1.00 28.49 C +ATOM 221 O ALA A 26 21.185 47.328 -45.653 1.00 39.01 O +ATOM 222 CB ALA A 26 20.596 48.404 -42.999 1.00 1.00 C +ATOM 223 N MET A 27 22.646 45.972 -44.595 1.00 9.92 N +ATOM 224 CA MET A 27 22.607 44.974 -45.652 1.00 11.09 C +ATOM 225 C MET A 27 21.548 43.917 -45.377 1.00 24.77 C +ATOM 226 O MET A 27 20.859 43.437 -46.270 1.00 21.71 O +ATOM 227 CB MET A 27 23.934 44.331 -46.111 1.00 1.75 C +ATOM 228 CG MET A 27 25.199 45.142 -45.888 1.00 8.07 C +ATOM 229 SD MET A 27 25.553 46.268 -47.264 1.00 30.60 S +ATOM 230 CE MET A 27 25.005 45.246 -48.654 1.00 17.23 C +ATOM 231 N ALA A 28 21.374 43.506 -44.137 1.00 1.00 N +ATOM 232 CA ALA A 28 20.343 42.510 -43.993 1.00 9.68 C +ATOM 233 C ALA A 28 19.557 42.735 -42.733 1.00 8.18 C +ATOM 234 O ALA A 28 20.113 43.143 -41.719 1.00 24.20 O +ATOM 235 CB ALA A 28 20.811 41.079 -44.179 1.00 7.00 C +ATOM 236 N LYS A 29 18.265 42.464 -42.850 1.00 36.40 N +ATOM 237 CA LYS A 29 17.337 42.618 -41.761 1.00 1.00 C +ATOM 238 C LYS A 29 16.485 41.375 -41.590 1.00 33.80 C +ATOM 239 O LYS A 29 16.140 40.725 -42.575 1.00 5.65 O +ATOM 240 CB LYS A 29 16.417 43.801 -42.040 1.00 1.00 C +ATOM 241 CG LYS A 29 15.947 44.530 -40.789 1.00 14.51 C +ATOM 242 CD LYS A 29 14.622 45.263 -40.908 1.00 23.11 C +ATOM 243 CE LYS A 29 14.375 45.868 -42.279 1.00100.00 C +ATOM 244 NZ LYS A 29 12.975 45.741 -42.707 1.00100.00 N +ATOM 245 N LYS A 30 16.185 41.105 -40.317 1.00 5.36 N +ATOM 246 CA LYS A 30 15.368 40.036 -39.765 1.00 11.95 C +ATOM 247 C LYS A 30 14.277 40.837 -39.041 1.00 1.00 C +ATOM 248 O LYS A 30 14.476 41.346 -37.942 1.00 8.43 O +ATOM 249 CB LYS A 30 16.221 39.161 -38.850 1.00 12.63 C +ATOM 250 CG LYS A 30 15.558 38.176 -37.873 1.00 7.38 C +ATOM 251 CD LYS A 30 14.042 38.086 -37.884 1.00 23.29 C +ATOM 252 CE LYS A 30 13.469 37.415 -36.636 1.00 4.02 C +ATOM 253 NZ LYS A 30 12.091 37.845 -36.323 1.00 1.80 N +ATOM 254 N ASP A 31 13.129 40.980 -39.697 1.00 27.42 N +ATOM 255 CA ASP A 31 11.954 41.720 -39.241 1.00 1.00 C +ATOM 256 C ASP A 31 11.240 41.203 -37.992 1.00 21.30 C +ATOM 257 O ASP A 31 11.178 40.003 -37.749 1.00 22.24 O +ATOM 258 CB ASP A 31 10.945 41.820 -40.406 1.00 13.01 C +ATOM 259 CG ASP A 31 11.533 42.176 -41.747 1.00 19.19 C +ATOM 260 OD1 ASP A 31 12.072 43.359 -41.754 1.00 13.13 O +ATOM 261 OD2 ASP A 31 11.494 41.460 -42.729 1.00 11.60 O +ATOM 262 N PRO A 32 10.680 42.100 -37.176 1.00 12.71 N +ATOM 263 CA PRO A 32 9.984 41.649 -35.986 1.00 65.76 C +ATOM 264 C PRO A 32 8.511 41.720 -36.315 1.00 10.85 C +ATOM 265 O PRO A 32 8.151 42.074 -37.438 1.00 34.12 O +ATOM 266 CB PRO A 32 10.197 42.747 -34.938 1.00 10.41 C +ATOM 267 CG PRO A 32 10.313 44.029 -35.752 1.00 11.46 C +ATOM 268 CD PRO A 32 10.700 43.594 -37.167 1.00 11.33 C +ATOM 269 N GLU A 33 7.666 41.399 -35.341 1.00100.00 N +ATOM 270 CA GLU A 33 6.240 41.467 -35.575 1.00 23.43 C +ATOM 271 C GLU A 33 5.966 42.949 -35.821 1.00 54.35 C +ATOM 272 O GLU A 33 6.432 43.798 -35.059 1.00 60.87 O +ATOM 273 CB GLU A 33 5.468 40.918 -34.359 1.00 9.87 C +ATOM 274 CG GLU A 33 4.703 39.606 -34.610 1.00 74.60 C +ATOM 275 CD GLU A 33 3.808 39.277 -33.448 1.00100.00 C +ATOM 276 OE1 GLU A 33 2.921 40.022 -33.069 1.00 93.18 O +ATOM 277 OE2 GLU A 33 4.127 38.150 -32.853 1.00100.00 O +ATOM 278 N GLY A 34 5.236 43.251 -36.893 1.00 17.84 N +ATOM 279 CA GLY A 34 4.898 44.616 -37.279 1.00 26.19 C +ATOM 280 C GLY A 34 6.087 45.355 -37.879 1.00 30.19 C +ATOM 281 O GLY A 34 6.617 46.308 -37.303 1.00 67.44 O +ATOM 282 N LEU A 35 6.525 44.912 -39.051 1.00 69.81 N +ATOM 283 CA LEU A 35 7.662 45.555 -39.674 1.00 48.34 C +ATOM 284 C LEU A 35 7.474 47.036 -39.979 1.00 44.97 C +ATOM 285 O LEU A 35 6.407 47.498 -40.370 1.00100.00 O +ATOM 286 CB LEU A 35 8.275 44.759 -40.846 1.00 24.36 C +ATOM 287 CG LEU A 35 8.433 45.612 -42.097 1.00 52.14 C +ATOM 288 CD1 LEU A 35 9.546 45.033 -42.937 1.00100.00 C +ATOM 289 CD2 LEU A 35 7.152 45.620 -42.919 1.00100.00 C +ATOM 290 N PHE A 36 8.567 47.758 -39.780 1.00 22.62 N +ATOM 291 CA PHE A 36 8.751 49.184 -39.977 1.00 25.25 C +ATOM 292 C PHE A 36 10.134 49.264 -40.600 1.00 26.39 C +ATOM 293 O PHE A 36 10.950 48.383 -40.337 1.00 51.57 O +ATOM 294 CB PHE A 36 8.805 49.812 -38.576 1.00 19.02 C +ATOM 295 CG PHE A 36 8.896 51.310 -38.546 1.00 10.77 C +ATOM 296 CD1 PHE A 36 7.799 52.094 -38.893 1.00 67.32 C +ATOM 297 CD2 PHE A 36 10.072 51.940 -38.146 1.00 10.62 C +ATOM 298 CE1 PHE A 36 7.869 53.487 -38.857 1.00 31.06 C +ATOM 299 CE2 PHE A 36 10.167 53.329 -38.101 1.00 75.81 C +ATOM 300 CZ PHE A 36 9.059 54.098 -38.459 1.00 25.52 C +ATOM 301 N LEU A 37 10.436 50.264 -41.406 1.00 12.39 N +ATOM 302 CA LEU A 37 11.769 50.291 -41.987 1.00 36.65 C +ATOM 303 C LEU A 37 11.868 49.128 -42.976 1.00 37.61 C +ATOM 304 O LEU A 37 12.201 48.004 -42.613 1.00 14.63 O +ATOM 305 CB LEU A 37 12.900 50.262 -40.928 1.00 17.64 C +ATOM 306 CG LEU A 37 13.328 51.605 -40.330 1.00 14.05 C +ATOM 307 CD1 LEU A 37 14.846 51.706 -40.390 1.00 5.96 C +ATOM 308 CD2 LEU A 37 12.727 52.793 -41.068 1.00 44.55 C +ATOM 309 N GLN A 38 11.553 49.425 -44.239 1.00 5.31 N +ATOM 310 CA GLN A 38 11.551 48.510 -45.368 1.00 16.21 C +ATOM 311 C GLN A 38 12.893 48.213 -46.030 1.00 14.12 C +ATOM 312 O GLN A 38 13.299 47.051 -46.041 1.00 17.03 O +ATOM 313 CB GLN A 38 10.496 48.880 -46.442 1.00 6.66 C +ATOM 314 CG GLN A 38 9.979 47.658 -47.219 1.00 36.53 C +ATOM 315 CD GLN A 38 9.293 46.699 -46.272 1.00100.00 C +ATOM 316 OE1 GLN A 38 8.581 47.138 -45.356 1.00 63.90 O +ATOM 317 NE2 GLN A 38 9.579 45.408 -46.423 1.00 89.44 N +ATOM 318 N ASP A 39 13.557 49.241 -46.584 1.00 12.49 N +ATOM 319 CA ASP A 39 14.844 49.115 -47.267 1.00 1.00 C +ATOM 320 C ASP A 39 15.526 50.466 -47.454 1.00 10.40 C +ATOM 321 O ASP A 39 14.882 51.492 -47.272 1.00 35.67 O +ATOM 322 CB ASP A 39 14.610 48.516 -48.664 1.00 34.79 C +ATOM 323 CG ASP A 39 13.439 49.158 -49.352 1.00 46.31 C +ATOM 324 OD1 ASP A 39 13.473 50.473 -49.329 1.00 16.44 O +ATOM 325 OD2 ASP A 39 12.539 48.505 -49.846 1.00 42.65 O +ATOM 326 N ASN A 40 16.810 50.488 -47.825 1.00 26.70 N +ATOM 327 CA ASN A 40 17.524 51.746 -48.019 1.00 36.56 C +ATOM 328 C ASN A 40 17.677 52.377 -46.666 1.00 18.14 C +ATOM 329 O ASN A 40 17.476 53.570 -46.465 1.00 31.94 O +ATOM 330 CB ASN A 40 16.774 52.797 -48.861 1.00 19.06 C +ATOM 331 CG ASN A 40 16.911 52.623 -50.352 1.00 33.57 C +ATOM 332 OD1 ASN A 40 17.958 52.923 -50.949 1.00 73.34 O +ATOM 333 ND2 ASN A 40 15.815 52.163 -50.942 1.00 15.82 N +ATOM 334 N ILE A 41 18.034 51.522 -45.746 1.00 42.36 N +ATOM 335 CA ILE A 41 18.206 51.963 -44.403 1.00 33.43 C +ATOM 336 C ILE A 41 19.636 52.286 -44.138 1.00 7.25 C +ATOM 337 O ILE A 41 20.466 51.389 -44.178 1.00 25.10 O +ATOM 338 CB ILE A 41 17.932 50.770 -43.549 1.00 38.29 C +ATOM 339 CG1 ILE A 41 16.484 50.383 -43.661 1.00 10.70 C +ATOM 340 CG2 ILE A 41 18.320 51.043 -42.111 1.00 3.39 C +ATOM 341 CD1 ILE A 41 16.269 49.263 -42.663 1.00 16.62 C +ATOM 342 N VAL A 42 19.899 53.549 -43.856 1.00 8.00 N +ATOM 343 CA VAL A 42 21.235 54.003 -43.564 1.00 12.12 C +ATOM 344 C VAL A 42 21.236 54.592 -42.170 1.00 36.24 C +ATOM 345 O VAL A 42 20.352 55.365 -41.803 1.00 34.82 O +ATOM 346 CB VAL A 42 21.684 55.105 -44.499 1.00 57.02 C +ATOM 347 CG1 VAL A 42 23.034 55.553 -43.977 1.00 12.17 C +ATOM 348 CG2 VAL A 42 21.786 54.617 -45.938 1.00 23.34 C +ATOM 349 N ALA A 43 22.236 54.234 -41.387 1.00 32.65 N +ATOM 350 CA ALA A 43 22.257 54.773 -40.056 1.00 1.63 C +ATOM 351 C ALA A 43 23.543 55.506 -39.737 1.00 2.15 C +ATOM 352 O ALA A 43 24.627 55.073 -40.119 1.00 15.71 O +ATOM 353 CB ALA A 43 21.988 53.665 -39.060 1.00 1.00 C +ATOM 354 N GLU A 44 23.382 56.617 -39.025 1.00 30.46 N +ATOM 355 CA GLU A 44 24.476 57.465 -38.598 1.00 2.81 C +ATOM 356 C GLU A 44 24.468 57.573 -37.081 1.00 10.22 C +ATOM 357 O GLU A 44 23.661 58.299 -36.496 1.00 34.79 O +ATOM 358 CB GLU A 44 24.484 58.842 -39.290 1.00 27.31 C +ATOM 359 CG GLU A 44 25.870 59.244 -39.834 1.00 66.25 C +ATOM 360 CD GLU A 44 26.658 60.078 -38.863 1.00 47.33 C +ATOM 361 OE1 GLU A 44 27.387 59.605 -38.014 1.00100.00 O +ATOM 362 OE2 GLU A 44 26.439 61.361 -38.996 1.00 85.54 O +ATOM 363 N PHE A 45 25.393 56.801 -36.508 1.00 21.87 N +ATOM 364 CA PHE A 45 25.702 56.625 -35.106 1.00 16.20 C +ATOM 365 C PHE A 45 26.755 57.613 -34.654 1.00 51.81 C +ATOM 366 O PHE A 45 27.685 57.887 -35.413 1.00 34.58 O +ATOM 367 CB PHE A 45 26.389 55.263 -34.912 1.00 33.59 C +ATOM 368 CG PHE A 45 25.452 54.179 -34.470 1.00 28.14 C +ATOM 369 CD1 PHE A 45 25.171 53.991 -33.117 1.00 21.51 C +ATOM 370 CD2 PHE A 45 24.856 53.353 -35.418 1.00 20.51 C +ATOM 371 CE1 PHE A 45 24.299 52.982 -32.706 1.00 40.78 C +ATOM 372 CE2 PHE A 45 23.978 52.342 -35.026 1.00 18.12 C +ATOM 373 CZ PHE A 45 23.704 52.160 -33.670 1.00 41.24 C +ATOM 374 N SER A 46 26.582 58.089 -33.416 1.00 48.47 N +ATOM 375 CA SER A 46 27.439 59.049 -32.749 1.00 13.96 C +ATOM 376 C SER A 46 27.369 58.952 -31.239 1.00 51.44 C +ATOM 377 O SER A 46 26.572 58.196 -30.690 1.00 33.17 O +ATOM 378 CB SER A 46 26.940 60.456 -33.034 1.00 54.42 C +ATOM 379 OG SER A 46 26.368 60.532 -34.322 1.00100.00 O +ATOM 380 N VAL A 47 28.214 59.763 -30.597 1.00 23.66 N +ATOM 381 CA VAL A 47 28.324 59.853 -29.154 1.00 74.84 C +ATOM 382 C VAL A 47 28.978 61.167 -28.765 1.00 35.07 C +ATOM 383 O VAL A 47 29.981 61.581 -29.341 1.00 67.16 O +ATOM 384 CB VAL A 47 29.130 58.698 -28.599 1.00 26.27 C +ATOM 385 CG1 VAL A 47 30.553 58.854 -29.094 1.00 15.11 C +ATOM 386 CG2 VAL A 47 29.106 58.681 -27.076 1.00 75.64 C +ATOM 387 N ASP A 48 28.379 61.819 -27.777 1.00 60.25 N +ATOM 388 CA ASP A 48 28.849 63.092 -27.275 1.00 22.80 C +ATOM 389 C ASP A 48 29.808 62.917 -26.113 1.00 47.04 C +ATOM 390 O ASP A 48 29.971 61.824 -25.582 1.00 40.40 O +ATOM 391 CB ASP A 48 27.646 63.921 -26.794 1.00100.00 C +ATOM 392 CG ASP A 48 27.145 63.475 -25.447 1.00 29.91 C +ATOM 393 OD1 ASP A 48 27.827 63.990 -24.457 1.00100.00 O +ATOM 394 OD2 ASP A 48 26.166 62.776 -25.288 1.00100.00 O +ATOM 395 N GLU A 49 30.445 64.003 -25.691 1.00100.00 N +ATOM 396 CA GLU A 49 31.355 63.864 -24.575 1.00 62.55 C +ATOM 397 C GLU A 49 30.661 63.681 -23.233 1.00100.00 C +ATOM 398 O GLU A 49 30.243 64.617 -22.563 1.00100.00 O +ATOM 399 CB GLU A 49 32.514 64.870 -24.539 1.00100.00 C +ATOM 400 CG GLU A 49 33.837 64.136 -24.264 1.00100.00 C +ATOM 401 CD GLU A 49 33.940 63.673 -22.838 1.00100.00 C +ATOM 402 OE1 GLU A 49 33.492 62.610 -22.439 1.00100.00 O +ATOM 403 OE2 GLU A 49 34.528 64.565 -22.077 1.00100.00 O +ATOM 404 N THR A 50 30.536 62.429 -22.844 1.00 95.61 N +ATOM 405 CA THR A 50 29.917 62.008 -21.605 1.00 23.57 C +ATOM 406 C THR A 50 30.119 60.518 -21.635 1.00100.00 C +ATOM 407 O THR A 50 30.452 59.828 -20.673 1.00100.00 O +ATOM 408 CB THR A 50 28.387 62.134 -21.617 1.00 48.24 C +ATOM 409 OG1 THR A 50 27.884 62.313 -22.919 1.00 95.60 O +ATOM 410 CG2 THR A 50 27.856 63.152 -20.623 1.00 40.74 C +ATOM 411 N GLY A 51 29.887 60.067 -22.850 1.00 69.50 N +ATOM 412 CA GLY A 51 29.988 58.678 -23.161 1.00 96.61 C +ATOM 413 C GLY A 51 28.552 58.277 -23.364 1.00 36.35 C +ATOM 414 O GLY A 51 28.063 57.316 -22.786 1.00 73.15 O +ATOM 415 N GLN A 52 27.867 59.053 -24.190 1.00 21.82 N +ATOM 416 CA GLN A 52 26.484 58.729 -24.446 1.00 34.66 C +ATOM 417 C GLN A 52 26.251 58.585 -25.937 1.00 42.65 C +ATOM 418 O GLN A 52 26.355 59.548 -26.696 1.00 32.69 O +ATOM 419 CB GLN A 52 25.451 59.620 -23.732 1.00 53.36 C +ATOM 420 CG GLN A 52 24.633 60.486 -24.708 1.00100.00 C +ATOM 421 CD GLN A 52 23.134 60.453 -24.478 1.00100.00 C +ATOM 422 OE1 GLN A 52 22.618 59.588 -23.750 1.00 58.23 O +ATOM 423 NE2 GLN A 52 22.438 61.395 -25.114 1.00 75.23 N +ATOM 424 N MET A 53 25.950 57.356 -26.345 1.00 55.43 N +ATOM 425 CA MET A 53 25.702 57.058 -27.741 1.00 5.25 C +ATOM 426 C MET A 53 24.308 57.504 -28.154 1.00 12.18 C +ATOM 427 O MET A 53 23.399 57.642 -27.336 1.00 14.91 O +ATOM 428 CB MET A 53 25.870 55.554 -28.029 1.00 17.49 C +ATOM 429 CG MET A 53 26.400 55.287 -29.428 1.00 44.22 C +ATOM 430 SD MET A 53 26.523 53.513 -29.758 1.00 31.90 S +ATOM 431 CE MET A 53 25.556 52.975 -28.321 1.00 18.86 C +ATOM 432 N SER A 54 24.141 57.718 -29.448 1.00 22.16 N +ATOM 433 CA SER A 54 22.872 58.133 -30.007 1.00 13.75 C +ATOM 434 C SER A 54 22.959 57.919 -31.498 1.00 27.49 C +ATOM 435 O SER A 54 24.017 57.559 -31.992 1.00 20.46 O +ATOM 436 CB SER A 54 22.546 59.579 -29.695 1.00 35.25 C +ATOM 437 OG SER A 54 23.277 60.397 -30.583 1.00 45.21 O +ATOM 438 N ALA A 55 21.878 58.124 -32.229 1.00 15.67 N +ATOM 439 CA ALA A 55 21.987 57.907 -33.655 1.00 9.25 C +ATOM 440 C ALA A 55 20.712 58.260 -34.356 1.00 5.05 C +ATOM 441 O ALA A 55 19.649 58.375 -33.753 1.00 47.83 O +ATOM 442 CB ALA A 55 22.219 56.436 -33.954 1.00 16.66 C +ATOM 443 N THR A 56 20.870 58.420 -35.654 1.00 18.04 N +ATOM 444 CA THR A 56 19.746 58.734 -36.488 1.00 32.59 C +ATOM 445 C THR A 56 19.753 57.662 -37.549 1.00 24.99 C +ATOM 446 O THR A 56 20.763 56.986 -37.755 1.00 26.75 O +ATOM 447 CB THR A 56 19.835 60.098 -37.171 1.00 1.21 C +ATOM 448 OG1 THR A 56 20.430 59.900 -38.442 1.00 56.30 O +ATOM 449 CG2 THR A 56 20.666 61.042 -36.320 1.00 22.40 C +ATOM 450 N ALA A 57 18.615 57.539 -38.209 1.00 33.45 N +ATOM 451 CA ALA A 57 18.449 56.563 -39.254 1.00 24.97 C +ATOM 452 C ALA A 57 17.545 57.082 -40.358 1.00 40.40 C +ATOM 453 O ALA A 57 16.953 58.158 -40.261 1.00 41.76 O +ATOM 454 CB ALA A 57 17.854 55.310 -38.619 1.00 25.08 C +ATOM 455 N LYS A 58 17.428 56.301 -41.421 1.00 38.25 N +ATOM 456 CA LYS A 58 16.578 56.738 -42.500 1.00 29.23 C +ATOM 457 C LYS A 58 16.354 55.651 -43.532 1.00 3.20 C +ATOM 458 O LYS A 58 17.299 55.001 -43.953 1.00 29.40 O +ATOM 459 CB LYS A 58 17.186 57.936 -43.184 1.00 52.81 C +ATOM 460 CG LYS A 58 16.891 57.864 -44.670 1.00 5.43 C +ATOM 461 CD LYS A 58 18.116 58.223 -45.496 1.00100.00 C +ATOM 462 CE LYS A 58 17.859 59.323 -46.515 1.00100.00 C +ATOM 463 NZ LYS A 58 16.621 60.077 -46.268 1.00100.00 N +ATOM 464 N GLY A 59 15.111 55.453 -43.954 1.00 16.35 N +ATOM 465 CA GLY A 59 14.834 54.427 -44.938 1.00 4.77 C +ATOM 466 C GLY A 59 13.368 54.423 -45.300 1.00 26.64 C +ATOM 467 O GLY A 59 12.577 55.106 -44.666 1.00 32.90 O +ATOM 468 N ARG A 60 13.026 53.650 -46.322 1.00 10.44 N +ATOM 469 CA ARG A 60 11.663 53.529 -46.789 1.00 14.14 C +ATOM 470 C ARG A 60 10.800 52.912 -45.707 1.00 49.86 C +ATOM 471 O ARG A 60 11.256 52.169 -44.855 1.00 16.42 O +ATOM 472 CB ARG A 60 11.601 52.626 -48.017 1.00 78.44 C +ATOM 473 CG ARG A 60 10.601 53.053 -49.084 1.00 4.90 C +ATOM 474 CD ARG A 60 10.831 52.339 -50.420 1.00100.00 C +ATOM 475 NE ARG A 60 10.774 50.878 -50.328 1.00 18.13 N +ATOM 476 CZ ARG A 60 9.646 50.182 -50.197 1.00 46.95 C +ATOM 477 NH1 ARG A 60 8.488 50.834 -50.149 1.00100.00 N +ATOM 478 NH2 ARG A 60 9.633 48.855 -50.111 1.00 35.61 N +ATOM 479 N VAL A 61 9.521 53.217 -45.737 1.00100.00 N +ATOM 480 CA VAL A 61 8.612 52.662 -44.763 1.00 34.56 C +ATOM 481 C VAL A 61 7.339 52.368 -45.529 1.00 44.25 C +ATOM 482 O VAL A 61 6.979 53.124 -46.431 1.00 36.23 O +ATOM 483 CB VAL A 61 8.397 53.557 -43.548 1.00 11.79 C +ATOM 484 CG1 VAL A 61 7.652 52.771 -42.480 1.00 76.75 C +ATOM 485 CG2 VAL A 61 9.762 53.970 -43.022 1.00 3.43 C +ATOM 486 N ARG A 62 6.671 51.271 -45.207 1.00 90.42 N +ATOM 487 CA ARG A 62 5.455 50.980 -45.930 1.00 37.47 C +ATOM 488 C ARG A 62 4.301 51.163 -44.982 1.00100.00 C +ATOM 489 O ARG A 62 3.967 50.239 -44.247 1.00100.00 O +ATOM 490 CB ARG A 62 5.400 49.601 -46.572 1.00 73.57 C +ATOM 491 CG ARG A 62 4.136 49.437 -47.415 1.00100.00 C +ATOM 492 CD ARG A 62 3.948 48.045 -48.013 1.00 64.74 C +ATOM 493 NE ARG A 62 4.673 47.813 -49.265 1.00100.00 N +ATOM 494 CZ ARG A 62 4.773 48.652 -50.299 1.00100.00 C +ATOM 495 NH1 ARG A 62 4.205 49.856 -50.305 1.00100.00 N +ATOM 496 NH2 ARG A 62 5.474 48.275 -51.369 1.00100.00 N +ATOM 497 N LEU A 63 3.708 52.349 -44.989 1.00 71.63 N +ATOM 498 CA LEU A 63 2.598 52.563 -44.087 1.00 49.32 C +ATOM 499 C LEU A 63 1.384 51.709 -44.413 1.00100.00 C +ATOM 500 O LEU A 63 1.419 50.854 -45.306 1.00 54.47 O +ATOM 501 CB LEU A 63 2.368 54.035 -43.719 1.00 48.54 C +ATOM 502 CG LEU A 63 3.729 54.689 -43.510 1.00 36.80 C +ATOM 503 CD1 LEU A 63 3.674 56.211 -43.541 1.00 5.35 C +ATOM 504 CD2 LEU A 63 4.333 54.195 -42.202 1.00100.00 C +ATOM 505 N LEU A 64 0.293 51.905 -43.691 1.00 23.28 N +ATOM 506 CA LEU A 64 -0.832 51.059 -44.023 1.00100.00 C +ATOM 507 C LEU A 64 -1.424 51.266 -45.406 1.00100.00 C +ATOM 508 O LEU A 64 -1.543 52.394 -45.887 1.00100.00 O +ATOM 509 CB LEU A 64 -1.868 50.847 -42.903 1.00100.00 C +ATOM 510 CG LEU A 64 -2.774 52.048 -42.675 1.00100.00 C +ATOM 511 CD1 LEU A 64 -3.027 52.198 -41.180 1.00 20.40 C +ATOM 512 CD2 LEU A 64 -2.127 53.307 -43.241 1.00100.00 C +ATOM 513 N ASN A 65 -1.778 50.136 -46.023 1.00 77.02 N +ATOM 514 CA ASN A 65 -2.382 50.074 -47.346 1.00100.00 C +ATOM 515 C ASN A 65 -1.582 50.618 -48.527 1.00100.00 C +ATOM 516 O ASN A 65 -2.155 50.893 -49.581 1.00100.00 O +ATOM 517 CB ASN A 65 -3.857 50.559 -47.308 1.00100.00 C +ATOM 518 CG ASN A 65 -4.233 51.851 -48.031 1.00100.00 C +ATOM 519 OD1 ASN A 65 -5.285 51.931 -48.679 1.00 81.85 O +ATOM 520 ND2 ASN A 65 -3.344 52.841 -48.028 1.00 36.78 N +ATOM 521 N ASN A 66 -0.266 50.764 -48.396 1.00 45.66 N +ATOM 522 CA ASN A 66 0.506 51.298 -49.505 1.00 88.00 C +ATOM 523 C ASN A 66 0.369 52.804 -49.379 1.00 57.08 C +ATOM 524 O ASN A 66 -0.646 53.449 -49.654 1.00100.00 O +ATOM 525 CB ASN A 66 0.256 50.751 -50.932 1.00 44.50 C +ATOM 526 CG ASN A 66 0.854 49.383 -51.209 1.00100.00 C +ATOM 527 OD1 ASN A 66 0.869 48.498 -50.339 1.00100.00 O +ATOM 528 ND2 ASN A 66 1.332 49.195 -52.438 1.00100.00 N +ATOM 529 N TRP A 67 1.485 53.307 -48.905 1.00 95.87 N +ATOM 530 CA TRP A 67 1.771 54.681 -48.606 1.00 52.83 C +ATOM 531 C TRP A 67 3.165 54.495 -48.031 1.00100.00 C +ATOM 532 O TRP A 67 3.338 54.077 -46.883 1.00 52.13 O +ATOM 533 CB TRP A 67 0.698 55.130 -47.585 1.00100.00 C +ATOM 534 CG TRP A 67 1.070 56.214 -46.624 1.00100.00 C +ATOM 535 CD1 TRP A 67 0.952 56.163 -45.276 1.00 66.03 C +ATOM 536 CD2 TRP A 67 1.595 57.508 -46.931 1.00 49.35 C +ATOM 537 NE1 TRP A 67 1.382 57.334 -44.715 1.00100.00 N +ATOM 538 CE2 TRP A 67 1.783 58.181 -45.710 1.00100.00 C +ATOM 539 CE3 TRP A 67 1.927 58.147 -48.122 1.00100.00 C +ATOM 540 CZ2 TRP A 67 2.293 59.479 -45.663 1.00100.00 C +ATOM 541 CZ3 TRP A 67 2.429 59.424 -48.075 1.00100.00 C +ATOM 542 CH2 TRP A 67 2.609 60.082 -46.859 1.00 81.47 C +ATOM 543 N ASP A 68 4.164 54.760 -48.872 1.00100.00 N +ATOM 544 CA ASP A 68 5.545 54.598 -48.457 1.00100.00 C +ATOM 545 C ASP A 68 6.289 55.907 -48.335 1.00100.00 C +ATOM 546 O ASP A 68 6.414 56.674 -49.289 1.00 81.52 O +ATOM 547 CB ASP A 68 6.349 53.649 -49.364 1.00 77.32 C +ATOM 548 CG ASP A 68 5.656 52.357 -49.683 1.00100.00 C +ATOM 549 OD1 ASP A 68 5.258 51.584 -48.830 1.00100.00 O +ATOM 550 OD2 ASP A 68 5.559 52.148 -50.974 1.00 80.92 O +ATOM 551 N VAL A 69 6.795 56.145 -47.137 1.00 35.97 N +ATOM 552 CA VAL A 69 7.524 57.365 -46.934 1.00 70.90 C +ATOM 553 C VAL A 69 8.971 57.035 -46.701 1.00 31.50 C +ATOM 554 O VAL A 69 9.384 55.884 -46.597 1.00 22.84 O +ATOM 555 CB VAL A 69 7.022 58.146 -45.714 1.00 17.78 C +ATOM 556 CG1 VAL A 69 5.599 57.733 -45.361 1.00100.00 C +ATOM 557 CG2 VAL A 69 7.912 57.885 -44.503 1.00100.00 C +ATOM 558 N CYS A 70 9.705 58.122 -46.625 1.00 23.12 N +ATOM 559 CA CYS A 70 11.102 58.110 -46.356 1.00 5.72 C +ATOM 560 C CYS A 70 11.102 58.785 -45.002 1.00 16.42 C +ATOM 561 O CYS A 70 10.968 59.999 -44.840 1.00 32.25 O +ATOM 562 CB CYS A 70 12.041 58.761 -47.379 1.00 18.16 C +ATOM 563 SG CYS A 70 13.070 57.512 -48.189 1.00 45.93 S +ATOM 564 N ALA A 71 11.215 57.892 -44.046 1.00 20.66 N +ATOM 565 CA ALA A 71 11.251 58.174 -42.643 1.00100.00 C +ATOM 566 C ALA A 71 12.653 58.662 -42.339 1.00 12.91 C +ATOM 567 O ALA A 71 13.537 58.569 -43.193 1.00 46.01 O +ATOM 568 CB ALA A 71 10.968 56.855 -41.948 1.00 13.02 C +ATOM 569 N ASP A 72 12.820 59.183 -41.129 1.00 76.83 N +ATOM 570 CA ASP A 72 14.071 59.711 -40.615 1.00 12.02 C +ATOM 571 C ASP A 72 14.044 59.467 -39.136 1.00 68.55 C +ATOM 572 O ASP A 72 13.225 60.107 -38.482 1.00 14.94 O +ATOM 573 CB ASP A 72 14.119 61.236 -40.794 1.00 52.68 C +ATOM 574 CG ASP A 72 15.179 61.623 -41.772 1.00 86.22 C +ATOM 575 OD1 ASP A 72 16.313 61.189 -41.724 1.00100.00 O +ATOM 576 OD2 ASP A 72 14.718 62.393 -42.723 1.00100.00 O +ATOM 577 N MET A 73 14.894 58.581 -38.622 1.00 24.90 N +ATOM 578 CA MET A 73 14.812 58.361 -37.195 1.00 1.00 C +ATOM 579 C MET A 73 15.822 58.898 -36.229 1.00 4.10 C +ATOM 580 O MET A 73 16.892 59.393 -36.566 1.00 14.15 O +ATOM 581 CB MET A 73 14.207 57.038 -36.729 1.00 66.82 C +ATOM 582 CG MET A 73 13.529 56.348 -37.886 1.00 19.14 C +ATOM 583 SD MET A 73 11.750 56.544 -37.717 1.00 51.57 S +ATOM 584 CE MET A 73 11.573 55.619 -36.174 1.00 13.01 C +ATOM 585 N VAL A 74 15.413 58.750 -34.978 1.00 10.31 N +ATOM 586 CA VAL A 74 16.259 59.222 -33.911 1.00 18.31 C +ATOM 587 C VAL A 74 16.243 58.241 -32.773 1.00 32.67 C +ATOM 588 O VAL A 74 15.177 57.878 -32.279 1.00 30.83 O +ATOM 589 CB VAL A 74 15.752 60.563 -33.383 1.00 33.48 C +ATOM 590 CG1 VAL A 74 16.823 61.310 -32.605 1.00 24.85 C +ATOM 591 CG2 VAL A 74 15.205 61.435 -34.502 1.00 17.39 C +ATOM 592 N GLY A 75 17.433 57.835 -32.364 1.00 9.56 N +ATOM 593 CA GLY A 75 17.526 56.895 -31.269 1.00 39.02 C +ATOM 594 C GLY A 75 18.450 57.519 -30.255 1.00 9.21 C +ATOM 595 O GLY A 75 19.179 58.426 -30.625 1.00 19.33 O +ATOM 596 N THR A 76 18.414 57.042 -29.012 1.00 13.11 N +ATOM 597 CA THR A 76 19.262 57.556 -27.952 1.00 3.54 C +ATOM 598 C THR A 76 19.537 56.413 -27.013 1.00 17.37 C +ATOM 599 O THR A 76 18.675 56.000 -26.240 1.00 47.42 O +ATOM 600 CB THR A 76 18.615 58.713 -27.176 1.00 22.94 C +ATOM 601 OG1 THR A 76 17.628 58.195 -26.308 1.00 39.15 O +ATOM 602 CG2 THR A 76 18.002 59.692 -28.166 1.00 53.52 C +ATOM 603 N PHE A 77 20.757 55.913 -27.104 1.00 47.04 N +ATOM 604 CA PHE A 77 21.198 54.787 -26.312 1.00 13.46 C +ATOM 605 C PHE A 77 21.469 54.900 -24.823 1.00 21.83 C +ATOM 606 O PHE A 77 22.396 55.579 -24.392 1.00 50.55 O +ATOM 607 CB PHE A 77 22.237 53.957 -27.077 1.00 6.04 C +ATOM 608 CG PHE A 77 21.734 53.625 -28.458 1.00 26.07 C +ATOM 609 CD1 PHE A 77 20.940 52.497 -28.668 1.00 15.75 C +ATOM 610 CD2 PHE A 77 22.032 54.441 -29.551 1.00 30.43 C +ATOM 611 CE1 PHE A 77 20.464 52.169 -29.936 1.00 30.01 C +ATOM 612 CE2 PHE A 77 21.560 54.132 -30.826 1.00 39.05 C +ATOM 613 CZ PHE A 77 20.778 52.991 -31.015 1.00 12.88 C +ATOM 614 N THR A 78 20.652 54.193 -24.041 1.00 38.13 N +ATOM 615 CA THR A 78 20.827 54.197 -22.602 1.00 72.89 C +ATOM 616 C THR A 78 21.626 52.987 -22.153 1.00 33.53 C +ATOM 617 O THR A 78 21.148 51.859 -22.234 1.00 60.66 O +ATOM 618 CB THR A 78 19.520 54.145 -21.804 1.00 17.38 C +ATOM 619 OG1 THR A 78 18.706 55.269 -22.081 1.00 24.99 O +ATOM 620 CG2 THR A 78 19.899 54.048 -20.324 1.00 9.82 C +ATOM 621 N ASP A 79 22.836 53.234 -21.668 1.00 45.42 N +ATOM 622 CA ASP A 79 23.716 52.186 -21.193 1.00 16.91 C +ATOM 623 C ASP A 79 23.039 51.208 -20.247 1.00 15.64 C +ATOM 624 O ASP A 79 21.865 51.338 -19.910 1.00 76.41 O +ATOM 625 CB ASP A 79 24.949 52.775 -20.486 1.00 1.00 C +ATOM 626 CG ASP A 79 25.997 53.298 -21.429 1.00 45.63 C +ATOM 627 OD1 ASP A 79 25.636 54.412 -22.018 1.00 19.40 O +ATOM 628 OD2 ASP A 79 27.076 52.762 -21.599 1.00 31.98 O +ATOM 629 N THR A 80 23.854 50.238 -19.840 1.00 24.96 N +ATOM 630 CA THR A 80 23.539 49.148 -18.929 1.00 65.99 C +ATOM 631 C THR A 80 24.807 48.573 -18.319 1.00 35.77 C +ATOM 632 O THR A 80 25.904 49.052 -18.705 1.00 49.08 O +ATOM 633 CB THR A 80 22.646 48.029 -19.505 1.00 46.42 C +ATOM 634 OG1 THR A 80 23.373 47.179 -20.370 1.00 24.47 O +ATOM 635 CG2 THR A 80 21.436 48.599 -20.228 1.00 48.24 C +ATOM 636 N GLU A 81 24.604 47.573 -17.394 1.00 15.02 N +ATOM 637 CA GLU A 81 25.837 47.053 -16.829 1.00 26.22 C +ATOM 638 C GLU A 81 26.726 46.420 -17.876 1.00 31.52 C +ATOM 639 O GLU A 81 27.937 46.253 -17.683 1.00 43.18 O +ATOM 640 CB GLU A 81 25.662 46.084 -15.658 1.00 23.55 C +ATOM 641 CG GLU A 81 24.240 46.146 -15.079 1.00 60.52 C +ATOM 642 CD GLU A 81 23.145 45.850 -16.075 1.00100.00 C +ATOM 643 OE1 GLU A 81 22.813 44.737 -16.371 1.00100.00 O +ATOM 644 OE2 GLU A 81 22.585 46.911 -16.646 1.00 43.26 O +ATOM 645 N ASP A 82 26.147 46.042 -18.990 1.00 25.55 N +ATOM 646 CA ASP A 82 27.021 45.442 -19.947 1.00 33.64 C +ATOM 647 C ASP A 82 27.180 46.318 -21.168 1.00 21.86 C +ATOM 648 O ASP A 82 26.213 46.751 -21.786 1.00 68.61 O +ATOM 649 CB ASP A 82 26.678 43.957 -20.093 1.00 57.58 C +ATOM 650 CG ASP A 82 26.849 43.323 -21.434 1.00 62.01 C +ATOM 651 OD1 ASP A 82 27.753 43.832 -22.238 1.00 35.32 O +ATOM 652 OD2 ASP A 82 26.214 42.355 -21.704 1.00 35.84 O +ATOM 653 N PRO A 83 28.460 46.511 -21.441 1.00 59.33 N +ATOM 654 CA PRO A 83 29.026 47.313 -22.499 1.00 19.27 C +ATOM 655 C PRO A 83 28.423 47.199 -23.878 1.00 49.90 C +ATOM 656 O PRO A 83 28.391 48.169 -24.628 1.00 36.19 O +ATOM 657 CB PRO A 83 30.532 47.066 -22.468 1.00100.00 C +ATOM 658 CG PRO A 83 30.805 46.036 -21.370 1.00 35.41 C +ATOM 659 CD PRO A 83 29.477 45.704 -20.706 1.00 42.98 C +ATOM 660 N ALA A 84 27.964 46.018 -24.206 1.00 84.65 N +ATOM 661 CA ALA A 84 27.379 45.810 -25.508 1.00 10.12 C +ATOM 662 C ALA A 84 25.866 45.843 -25.466 1.00 31.97 C +ATOM 663 O ALA A 84 25.210 45.669 -26.490 1.00 58.56 O +ATOM 664 CB ALA A 84 27.860 44.495 -26.087 1.00 33.17 C +ATOM 665 N LYS A 85 25.298 46.042 -24.288 1.00 7.81 N +ATOM 666 CA LYS A 85 23.854 46.071 -24.223 1.00 13.58 C +ATOM 667 C LYS A 85 23.305 47.433 -23.860 1.00 31.02 C +ATOM 668 O LYS A 85 23.637 48.024 -22.833 1.00 46.06 O +ATOM 669 CB LYS A 85 23.248 45.003 -23.332 1.00 6.70 C +ATOM 670 CG LYS A 85 24.060 43.721 -23.244 1.00 26.33 C +ATOM 671 CD LYS A 85 23.188 42.564 -22.773 1.00 15.20 C +ATOM 672 CE LYS A 85 23.924 41.244 -22.763 1.00 58.39 C +ATOM 673 NZ LYS A 85 23.132 40.079 -23.109 1.00 24.86 N +ATOM 674 N PHE A 86 22.435 47.926 -24.723 1.00 14.86 N +ATOM 675 CA PHE A 86 21.874 49.221 -24.442 1.00 47.06 C +ATOM 676 C PHE A 86 20.368 49.293 -24.511 1.00 6.50 C +ATOM 677 O PHE A 86 19.654 48.537 -25.171 1.00 21.29 O +ATOM 678 CB PHE A 86 22.350 50.275 -25.463 1.00 23.88 C +ATOM 679 CG PHE A 86 23.824 50.306 -25.771 1.00 56.98 C +ATOM 680 CD1 PHE A 86 24.456 49.232 -26.397 1.00 23.28 C +ATOM 681 CD2 PHE A 86 24.588 51.428 -25.447 1.00 21.75 C +ATOM 682 CE1 PHE A 86 25.822 49.259 -26.691 1.00 24.96 C +ATOM 683 CE2 PHE A 86 25.951 51.474 -25.735 1.00 22.63 C +ATOM 684 CZ PHE A 86 26.566 50.388 -26.356 1.00 9.77 C +ATOM 685 N LYS A 87 19.878 50.288 -23.808 1.00 42.77 N +ATOM 686 CA LYS A 87 18.464 50.476 -23.854 1.00 14.86 C +ATOM 687 C LYS A 87 18.346 51.627 -24.848 1.00 13.01 C +ATOM 688 O LYS A 87 18.886 52.725 -24.670 1.00 31.28 O +ATOM 689 CB LYS A 87 17.786 50.612 -22.504 1.00 1.00 C +ATOM 690 CG LYS A 87 17.160 49.286 -22.089 1.00100.00 C +ATOM 691 CD LYS A 87 17.401 48.921 -20.632 1.00 33.12 C +ATOM 692 CE LYS A 87 16.943 47.520 -20.254 1.00 21.18 C +ATOM 693 NZ LYS A 87 15.527 47.262 -20.550 1.00 14.90 N +ATOM 694 N MET A 88 17.666 51.341 -25.939 1.00 15.06 N +ATOM 695 CA MET A 88 17.488 52.324 -26.978 1.00 11.89 C +ATOM 696 C MET A 88 16.084 52.855 -27.035 1.00 1.00 C +ATOM 697 O MET A 88 15.140 52.114 -27.322 1.00 47.85 O +ATOM 698 CB MET A 88 17.893 51.839 -28.392 1.00 22.61 C +ATOM 699 CG MET A 88 17.577 52.841 -29.507 1.00 8.43 C +ATOM 700 SD MET A 88 17.447 52.093 -31.157 1.00 17.75 S +ATOM 701 CE MET A 88 15.643 52.023 -31.261 1.00 5.38 C +ATOM 702 N LYS A 89 16.013 54.154 -26.764 1.00 9.83 N +ATOM 703 CA LYS A 89 14.786 54.923 -26.789 1.00 42.76 C +ATOM 704 C LYS A 89 14.832 55.633 -28.126 1.00 11.57 C +ATOM 705 O LYS A 89 15.746 56.414 -28.399 1.00 40.37 O +ATOM 706 CB LYS A 89 14.624 55.966 -25.695 1.00 16.43 C +ATOM 707 CG LYS A 89 13.647 57.061 -26.108 1.00 24.36 C +ATOM 708 CD LYS A 89 13.070 57.802 -24.910 1.00100.00 C +ATOM 709 CE LYS A 89 11.943 58.775 -25.232 1.00100.00 C +ATOM 710 NZ LYS A 89 11.849 59.879 -24.261 1.00 35.40 N +ATOM 711 N TYR A 90 13.841 55.328 -28.950 1.00 22.45 N +ATOM 712 CA TYR A 90 13.740 55.909 -30.269 1.00 24.08 C +ATOM 713 C TYR A 90 12.395 56.575 -30.506 1.00 8.94 C +ATOM 714 O TYR A 90 11.430 56.386 -29.761 1.00 63.03 O +ATOM 715 CB TYR A 90 13.987 54.836 -31.349 1.00 20.45 C +ATOM 716 CG TYR A 90 12.854 53.846 -31.469 1.00 1.00 C +ATOM 717 CD1 TYR A 90 12.629 52.882 -30.487 1.00 4.06 C +ATOM 718 CD2 TYR A 90 11.994 53.879 -32.570 1.00 33.06 C +ATOM 719 CE1 TYR A 90 11.584 51.963 -30.588 1.00 8.42 C +ATOM 720 CE2 TYR A 90 10.946 52.971 -32.687 1.00 1.00 C +ATOM 721 CZ TYR A 90 10.742 52.011 -31.695 1.00 43.31 C +ATOM 722 OH TYR A 90 9.709 51.116 -31.815 1.00 8.92 O +ATOM 723 N TRP A 91 12.381 57.355 -31.583 1.00 32.22 N +ATOM 724 CA TRP A 91 11.244 58.111 -32.068 1.00 22.70 C +ATOM 725 C TRP A 91 11.644 58.749 -33.377 1.00 25.33 C +ATOM 726 O TRP A 91 12.822 58.979 -33.639 1.00 46.36 O +ATOM 727 CB TRP A 91 10.802 59.239 -31.126 1.00 1.00 C +ATOM 728 CG TRP A 91 11.869 60.280 -30.966 1.00 41.14 C +ATOM 729 CD1 TRP A 91 12.005 61.446 -31.660 1.00 16.69 C +ATOM 730 CD2 TRP A 91 12.956 60.233 -30.041 1.00 10.47 C +ATOM 731 NE1 TRP A 91 13.108 62.137 -31.229 1.00 18.88 N +ATOM 732 CE2 TRP A 91 13.716 61.410 -30.240 1.00 31.49 C +ATOM 733 CE3 TRP A 91 13.359 59.303 -29.083 1.00 14.16 C +ATOM 734 CZ2 TRP A 91 14.860 61.674 -29.492 1.00 25.57 C +ATOM 735 CZ3 TRP A 91 14.493 59.569 -28.348 1.00 83.96 C +ATOM 736 CH2 TRP A 91 15.229 60.742 -28.550 1.00 22.67 C +ATOM 737 N GLY A 92 10.645 59.036 -34.193 1.00 17.42 N +ATOM 738 CA GLY A 92 10.898 59.661 -35.471 1.00100.00 C +ATOM 739 C GLY A 92 10.677 61.152 -35.301 1.00 75.21 C +ATOM 740 O GLY A 92 10.264 61.591 -34.229 1.00 35.71 O +ATOM 741 N VAL A 93 10.953 61.916 -36.354 1.00100.00 N +ATOM 742 CA VAL A 93 10.778 63.354 -36.324 1.00 64.01 C +ATOM 743 C VAL A 93 9.299 63.710 -36.328 1.00100.00 C +ATOM 744 O VAL A 93 8.842 64.519 -35.515 1.00 41.23 O +ATOM 745 CB VAL A 93 11.544 64.024 -37.458 1.00 87.90 C +ATOM 746 CG1 VAL A 93 12.916 63.370 -37.577 1.00 19.19 C +ATOM 747 CG2 VAL A 93 10.786 63.862 -38.771 1.00 31.95 C +ATOM 748 N ALA A 94 8.575 63.079 -37.257 1.00 85.49 N +ATOM 749 CA ALA A 94 7.146 63.260 -37.433 1.00 23.80 C +ATOM 750 C ALA A 94 6.431 62.531 -36.308 1.00 26.53 C +ATOM 751 O ALA A 94 6.488 61.307 -36.212 1.00 74.59 O +ATOM 752 CB ALA A 94 6.700 62.764 -38.801 1.00 39.57 C +ATOM 753 N SER A 95 5.773 63.306 -35.450 1.00 57.63 N +ATOM 754 CA SER A 95 5.047 62.788 -34.305 1.00 96.05 C +ATOM 755 C SER A 95 4.153 61.591 -34.584 1.00 72.85 C +ATOM 756 O SER A 95 3.721 60.906 -33.652 1.00 35.72 O +ATOM 757 CB SER A 95 4.325 63.869 -33.520 1.00100.00 C +ATOM 758 OG SER A 95 3.694 64.763 -34.414 1.00 71.72 O +ATOM 759 N PHE A 96 3.885 61.354 -35.866 1.00 15.85 N +ATOM 760 CA PHE A 96 3.048 60.240 -36.280 1.00 23.77 C +ATOM 761 C PHE A 96 3.853 58.965 -36.499 1.00 79.85 C +ATOM 762 O PHE A 96 3.357 57.848 -36.369 1.00 73.60 O +ATOM 763 CB PHE A 96 2.087 60.567 -37.432 1.00100.00 C +ATOM 764 CG PHE A 96 2.817 60.772 -38.730 1.00 44.21 C +ATOM 765 CD1 PHE A 96 3.065 59.688 -39.575 1.00 45.94 C +ATOM 766 CD2 PHE A 96 3.263 62.039 -39.102 1.00 32.95 C +ATOM 767 CE1 PHE A 96 3.741 59.860 -40.783 1.00 73.01 C +ATOM 768 CE2 PHE A 96 3.943 62.229 -40.304 1.00 62.37 C +ATOM 769 CZ PHE A 96 4.178 61.137 -41.140 1.00100.00 C +ATOM 770 N LEU A 97 5.123 59.121 -36.834 1.00 36.36 N +ATOM 771 CA LEU A 97 5.929 57.938 -37.016 1.00 9.09 C +ATOM 772 C LEU A 97 6.048 57.290 -35.639 1.00100.00 C +ATOM 773 O LEU A 97 5.727 57.871 -34.602 1.00 18.40 O +ATOM 774 CB LEU A 97 7.354 58.230 -37.495 1.00 6.62 C +ATOM 775 CG LEU A 97 7.410 58.883 -38.863 1.00 41.19 C +ATOM 776 CD1 LEU A 97 8.875 59.149 -39.183 1.00 57.66 C +ATOM 777 CD2 LEU A 97 6.772 57.974 -39.910 1.00 31.76 C +ATOM 778 N GLN A 98 6.541 56.064 -35.649 1.00 14.13 N +ATOM 779 CA GLN A 98 6.725 55.219 -34.486 1.00 66.13 C +ATOM 780 C GLN A 98 7.642 55.598 -33.329 1.00 22.77 C +ATOM 781 O GLN A 98 8.738 56.140 -33.442 1.00 29.65 O +ATOM 782 CB GLN A 98 6.618 53.722 -34.832 1.00 29.15 C +ATOM 783 CG GLN A 98 7.676 52.830 -34.162 1.00 61.50 C +ATOM 784 CD GLN A 98 7.484 51.362 -34.496 1.00100.00 C +ATOM 785 OE1 GLN A 98 6.510 50.946 -35.148 1.00 41.10 O +ATOM 786 NE2 GLN A 98 8.432 50.558 -34.040 1.00 15.82 N +ATOM 787 N LYS A 99 7.184 55.298 -32.132 1.00 20.14 N +ATOM 788 CA LYS A 99 8.036 55.639 -31.020 1.00 61.26 C +ATOM 789 C LYS A 99 8.230 54.375 -30.226 1.00 1.10 C +ATOM 790 O LYS A 99 7.479 53.433 -30.465 1.00 38.08 O +ATOM 791 CB LYS A 99 7.472 56.796 -30.218 1.00 14.96 C +ATOM 792 CG LYS A 99 6.667 57.735 -31.104 1.00 57.35 C +ATOM 793 CD LYS A 99 5.503 58.411 -30.396 1.00100.00 C +ATOM 794 CE LYS A 99 4.938 59.596 -31.169 1.00 44.84 C +ATOM 795 NZ LYS A 99 5.627 60.857 -30.863 1.00100.00 N +ATOM 796 N GLY A 100 9.216 54.352 -29.323 1.00 23.55 N +ATOM 797 CA GLY A 100 9.467 53.164 -28.520 1.00 1.00 C +ATOM 798 C GLY A 100 10.733 53.204 -27.680 1.00 1.00 C +ATOM 799 O GLY A 100 11.439 54.211 -27.593 1.00 24.31 O +ATOM 800 N ASN A 101 10.981 52.056 -27.058 1.00 11.79 N +ATOM 801 CA ASN A 101 12.115 51.757 -26.204 1.00 65.28 C +ATOM 802 C ASN A 101 12.413 50.278 -26.396 1.00 13.23 C +ATOM 803 O ASN A 101 11.644 49.403 -25.990 1.00 77.30 O +ATOM 804 CB ASN A 101 12.052 52.243 -24.743 1.00 7.90 C +ATOM 805 CG ASN A 101 13.445 52.257 -24.134 1.00100.00 C +ATOM 806 OD1 ASN A 101 14.229 53.206 -24.304 1.00 67.82 O +ATOM 807 ND2 ASN A 101 13.801 51.143 -23.505 1.00 52.65 N +ATOM 808 N ASP A 102 13.541 50.032 -27.061 1.00 42.40 N +ATOM 809 CA ASP A 102 13.994 48.703 -27.402 1.00 45.34 C +ATOM 810 C ASP A 102 15.405 48.349 -26.952 1.00 1.00 C +ATOM 811 O ASP A 102 16.308 49.159 -27.021 1.00 16.77 O +ATOM 812 CB ASP A 102 14.060 48.693 -28.949 1.00 8.75 C +ATOM 813 CG ASP A 102 12.859 48.187 -29.694 1.00 47.62 C +ATOM 814 OD1 ASP A 102 11.788 48.060 -29.149 1.00 22.56 O +ATOM 815 OD2 ASP A 102 13.068 47.947 -30.978 1.00 12.65 O +ATOM 816 N ASP A 103 15.589 47.112 -26.515 1.00 5.66 N +ATOM 817 CA ASP A 103 16.892 46.650 -26.098 1.00 37.37 C +ATOM 818 C ASP A 103 17.689 46.653 -27.390 1.00 3.49 C +ATOM 819 O ASP A 103 17.189 46.174 -28.402 1.00 41.86 O +ATOM 820 CB ASP A 103 16.834 45.167 -25.670 1.00 7.54 C +ATOM 821 CG ASP A 103 16.393 44.895 -24.263 1.00 65.96 C +ATOM 822 OD1 ASP A 103 16.389 45.970 -23.518 1.00 43.80 O +ATOM 823 OD2 ASP A 103 16.104 43.780 -23.861 1.00 64.81 O +ATOM 824 N HIS A 104 18.901 47.184 -27.359 1.00 12.56 N +ATOM 825 CA HIS A 104 19.771 47.241 -28.525 1.00 44.35 C +ATOM 826 C HIS A 104 21.068 46.604 -28.086 1.00 11.12 C +ATOM 827 O HIS A 104 21.699 47.073 -27.145 1.00 34.34 O +ATOM 828 CB HIS A 104 20.051 48.686 -29.002 1.00 13.14 C +ATOM 829 CG HIS A 104 20.804 48.812 -30.296 1.00 13.84 C +ATOM 830 ND1 HIS A 104 20.178 49.207 -31.477 1.00 1.00 N +ATOM 831 CD2 HIS A 104 22.119 48.606 -30.572 1.00 16.11 C +ATOM 832 CE1 HIS A 104 21.105 49.222 -32.426 1.00 8.31 C +ATOM 833 NE2 HIS A 104 22.285 48.867 -31.914 1.00 1.00 N +ATOM 834 N TRP A 105 21.483 45.534 -28.731 1.00 49.20 N +ATOM 835 CA TRP A 105 22.724 44.949 -28.283 1.00 24.55 C +ATOM 836 C TRP A 105 23.712 44.824 -29.413 1.00 1.03 C +ATOM 837 O TRP A 105 23.322 44.523 -30.544 1.00 19.71 O +ATOM 838 CB TRP A 105 22.497 43.496 -27.874 1.00 52.69 C +ATOM 839 CG TRP A 105 21.660 43.255 -26.671 1.00 37.51 C +ATOM 840 CD1 TRP A 105 21.008 44.122 -25.855 1.00 19.80 C +ATOM 841 CD2 TRP A 105 21.426 41.951 -26.172 1.00 24.31 C +ATOM 842 NE1 TRP A 105 20.359 43.422 -24.865 1.00 5.99 N +ATOM 843 CE2 TRP A 105 20.611 42.086 -25.039 1.00 1.00 C +ATOM 844 CE3 TRP A 105 21.857 40.702 -26.610 1.00 15.14 C +ATOM 845 CZ2 TRP A 105 20.209 40.967 -24.336 1.00 7.14 C +ATOM 846 CZ3 TRP A 105 21.454 39.598 -25.909 1.00 29.71 C +ATOM 847 CH2 TRP A 105 20.636 39.738 -24.791 1.00 3.13 C +ATOM 848 N ILE A 106 24.991 45.026 -29.152 1.00 13.37 N +ATOM 849 CA ILE A 106 25.856 44.845 -30.294 1.00 1.14 C +ATOM 850 C ILE A 106 26.418 43.436 -30.180 1.00 11.90 C +ATOM 851 O ILE A 106 27.271 43.141 -29.341 1.00 25.41 O +ATOM 852 CB ILE A 106 26.827 45.979 -30.496 1.00 9.29 C +ATOM 853 CG1 ILE A 106 26.035 47.235 -30.159 1.00 5.34 C +ATOM 854 CG2 ILE A 106 27.169 46.043 -31.982 1.00 4.26 C +ATOM 855 CD1 ILE A 106 25.745 48.060 -31.409 1.00 81.91 C +ATOM 856 N VAL A 107 25.891 42.544 -31.012 1.00 1.00 N +ATOM 857 CA VAL A 107 26.305 41.144 -31.007 1.00 37.53 C +ATOM 858 C VAL A 107 27.768 40.927 -31.381 1.00 8.22 C +ATOM 859 O VAL A 107 28.490 40.153 -30.765 1.00 11.85 O +ATOM 860 CB VAL A 107 25.349 40.265 -31.819 1.00 1.00 C +ATOM 861 CG1 VAL A 107 25.909 38.875 -32.067 1.00 1.00 C +ATOM 862 CG2 VAL A 107 23.954 40.164 -31.178 1.00 1.72 C +ATOM 863 N ASP A 108 28.215 41.629 -32.411 1.00 1.87 N +ATOM 864 CA ASP A 108 29.577 41.532 -32.894 1.00 24.20 C +ATOM 865 C ASP A 108 29.754 42.630 -33.919 1.00 3.90 C +ATOM 866 O ASP A 108 28.787 42.971 -34.599 1.00 32.46 O +ATOM 867 CB ASP A 108 29.837 40.167 -33.574 1.00 9.42 C +ATOM 868 CG ASP A 108 31.283 39.817 -33.849 1.00100.00 C +ATOM 869 OD1 ASP A 108 32.146 40.573 -33.214 1.00 19.94 O +ATOM 870 OD2 ASP A 108 31.629 38.887 -34.561 1.00 15.36 O +ATOM 871 N THR A 109 30.984 43.146 -33.988 1.00 17.17 N +ATOM 872 CA THR A 109 31.449 44.192 -34.888 1.00 1.00 C +ATOM 873 C THR A 109 32.971 44.257 -34.910 1.00 54.25 C +ATOM 874 O THR A 109 33.653 43.815 -33.988 1.00 8.76 O +ATOM 875 CB THR A 109 30.861 45.568 -34.616 1.00 10.37 C +ATOM 876 OG1 THR A 109 31.172 46.392 -35.724 1.00 21.90 O +ATOM 877 CG2 THR A 109 31.517 46.080 -33.338 1.00 16.67 C +ATOM 878 N ASP A 110 33.528 44.807 -35.978 1.00 3.48 N +ATOM 879 CA ASP A 110 34.970 44.905 -36.116 1.00 1.00 C +ATOM 880 C ASP A 110 35.315 46.361 -36.290 1.00 9.37 C +ATOM 881 O ASP A 110 36.444 46.786 -36.495 1.00 41.59 O +ATOM 882 CB ASP A 110 35.587 43.953 -37.158 1.00 1.00 C +ATOM 883 CG ASP A 110 35.484 44.459 -38.570 1.00 46.57 C +ATOM 884 OD1 ASP A 110 34.736 45.355 -38.898 1.00 24.19 O +ATOM 885 OD2 ASP A 110 36.260 43.835 -39.423 1.00 29.45 O +ATOM 886 N TYR A 111 34.226 47.090 -36.176 1.00 3.90 N +ATOM 887 CA TYR A 111 34.186 48.520 -36.242 1.00 19.09 C +ATOM 888 C TYR A 111 34.389 49.154 -37.593 1.00 17.96 C +ATOM 889 O TYR A 111 33.808 50.200 -37.885 1.00 17.14 O +ATOM 890 CB TYR A 111 35.160 49.098 -35.201 1.00 1.00 C +ATOM 891 CG TYR A 111 34.864 48.706 -33.760 1.00 19.45 C +ATOM 892 CD1 TYR A 111 33.855 49.297 -33.007 1.00 26.43 C +ATOM 893 CD2 TYR A 111 35.637 47.721 -33.155 1.00 1.00 C +ATOM 894 CE1 TYR A 111 33.607 48.920 -31.686 1.00 10.65 C +ATOM 895 CE2 TYR A 111 35.415 47.317 -31.838 1.00 15.56 C +ATOM 896 CZ TYR A 111 34.388 47.916 -31.101 1.00 1.00 C +ATOM 897 OH TYR A 111 34.189 47.510 -29.819 1.00 29.33 O +ATOM 898 N ASP A 112 35.221 48.523 -38.406 1.00 5.75 N +ATOM 899 CA ASP A 112 35.500 49.067 -39.717 1.00 39.82 C +ATOM 900 C ASP A 112 34.776 48.438 -40.908 1.00 15.70 C +ATOM 901 O ASP A 112 34.818 48.995 -41.995 1.00 17.61 O +ATOM 902 CB ASP A 112 37.030 49.134 -39.975 1.00 67.58 C +ATOM 903 CG ASP A 112 37.955 48.791 -38.825 1.00100.00 C +ATOM 904 OD1 ASP A 112 38.349 47.657 -38.597 1.00 27.59 O +ATOM 905 OD2 ASP A 112 38.412 49.841 -38.173 1.00 54.70 O +ATOM 906 N THR A 113 34.115 47.290 -40.760 1.00 18.66 N +ATOM 907 CA THR A 113 33.459 46.682 -41.909 1.00 22.90 C +ATOM 908 C THR A 113 32.012 46.270 -41.744 1.00 8.64 C +ATOM 909 O THR A 113 31.141 46.606 -42.551 1.00 39.43 O +ATOM 910 CB THR A 113 34.219 45.377 -42.232 1.00 32.14 C +ATOM 911 OG1 THR A 113 35.536 45.656 -42.652 1.00 34.76 O +ATOM 912 CG2 THR A 113 33.489 44.513 -43.257 1.00 24.64 C +ATOM 913 N TYR A 114 31.805 45.495 -40.684 1.00 10.98 N +ATOM 914 CA TYR A 114 30.503 44.966 -40.351 1.00 7.64 C +ATOM 915 C TYR A 114 30.195 45.032 -38.887 1.00 3.25 C +ATOM 916 O TYR A 114 31.042 45.193 -38.003 1.00 18.28 O +ATOM 917 CB TYR A 114 30.408 43.452 -40.615 1.00100.00 C +ATOM 918 CG TYR A 114 31.112 42.660 -39.529 1.00 3.70 C +ATOM 919 CD1 TYR A 114 32.488 42.450 -39.650 1.00 16.25 C +ATOM 920 CD2 TYR A 114 30.468 42.115 -38.419 1.00 2.50 C +ATOM 921 CE1 TYR A 114 33.199 41.727 -38.700 1.00 1.00 C +ATOM 922 CE2 TYR A 114 31.161 41.385 -37.446 1.00 18.39 C +ATOM 923 CZ TYR A 114 32.534 41.200 -37.589 1.00 19.34 C +ATOM 924 OH TYR A 114 33.247 40.494 -36.659 1.00 48.17 O +ATOM 925 N ALA A 115 28.901 44.835 -38.726 1.00 85.28 N +ATOM 926 CA ALA A 115 28.228 44.825 -37.464 1.00 17.55 C +ATOM 927 C ALA A 115 27.022 43.932 -37.534 1.00 25.22 C +ATOM 928 O ALA A 115 26.453 43.697 -38.594 1.00 28.72 O +ATOM 929 CB ALA A 115 27.639 46.213 -37.301 1.00 17.53 C +ATOM 930 N VAL A 116 26.642 43.466 -36.366 1.00 16.76 N +ATOM 931 CA VAL A 116 25.477 42.638 -36.231 1.00 15.56 C +ATOM 932 C VAL A 116 24.852 43.070 -34.928 1.00 13.36 C +ATOM 933 O VAL A 116 25.450 42.949 -33.852 1.00 15.73 O +ATOM 934 CB VAL A 116 25.566 41.137 -36.512 1.00 21.80 C +ATOM 935 CG1 VAL A 116 26.977 40.759 -36.947 1.00 19.96 C +ATOM 936 CG2 VAL A 116 25.092 40.309 -35.319 1.00 7.00 C +ATOM 937 N GLN A 117 23.652 43.602 -35.100 1.00 48.40 N +ATOM 938 CA GLN A 117 22.834 44.103 -34.029 1.00 1.00 C +ATOM 939 C GLN A 117 21.707 43.116 -33.778 1.00 1.16 C +ATOM 940 O GLN A 117 21.291 42.388 -34.680 1.00 39.31 O +ATOM 941 CB GLN A 117 22.306 45.498 -34.391 1.00 11.27 C +ATOM 942 CG GLN A 117 21.208 46.007 -33.442 1.00 7.00 C +ATOM 943 CD GLN A 117 19.834 45.582 -33.887 1.00 1.00 C +ATOM 944 OE1 GLN A 117 19.702 44.770 -34.816 1.00 12.85 O +ATOM 945 NE2 GLN A 117 18.813 46.145 -33.248 1.00 29.13 N +ATOM 946 N TYR A 118 21.215 43.089 -32.540 1.00 31.66 N +ATOM 947 CA TYR A 118 20.146 42.182 -32.159 1.00 1.00 C +ATOM 948 C TYR A 118 19.121 42.814 -31.245 1.00 51.07 C +ATOM 949 O TYR A 118 19.440 43.642 -30.408 1.00 10.74 O +ATOM 950 CB TYR A 118 20.731 40.989 -31.374 1.00 47.32 C +ATOM 951 CG TYR A 118 19.703 39.982 -30.905 1.00 1.00 C +ATOM 952 CD1 TYR A 118 18.879 39.332 -31.836 1.00 4.85 C +ATOM 953 CD2 TYR A 118 19.555 39.665 -29.562 1.00 1.00 C +ATOM 954 CE1 TYR A 118 17.928 38.393 -31.453 1.00 1.00 C +ATOM 955 CE2 TYR A 118 18.594 38.729 -29.157 1.00 13.68 C +ATOM 956 CZ TYR A 118 17.789 38.092 -30.095 1.00 1.00 C +ATOM 957 OH TYR A 118 16.854 37.171 -29.703 1.00 10.77 O +ATOM 958 N SER A 119 17.870 42.422 -31.377 1.00 20.46 N +ATOM 959 CA SER A 119 16.908 43.004 -30.486 1.00 1.00 C +ATOM 960 C SER A 119 15.761 42.059 -30.283 1.00 22.36 C +ATOM 961 O SER A 119 15.196 41.550 -31.250 1.00 32.00 O +ATOM 962 CB SER A 119 16.449 44.417 -30.798 1.00 24.18 C +ATOM 963 OG SER A 119 15.230 44.658 -30.115 1.00 21.06 O +ATOM 964 N CYS A 120 15.457 41.841 -29.008 1.00 5.34 N +ATOM 965 CA CYS A 120 14.371 40.971 -28.617 1.00 10.71 C +ATOM 966 C CYS A 120 13.401 41.732 -27.723 1.00 22.97 C +ATOM 967 O CYS A 120 13.683 42.069 -26.577 1.00 20.42 O +ATOM 968 CB CYS A 120 14.834 39.652 -27.979 1.00 14.01 C +ATOM 969 SG CYS A 120 13.405 38.704 -27.411 1.00 10.99 S +ATOM 970 N ARG A 121 12.234 42.009 -28.277 1.00 3.80 N +ATOM 971 CA ARG A 121 11.167 42.733 -27.621 1.00 44.29 C +ATOM 972 C ARG A 121 10.248 41.953 -26.690 1.00 19.66 C +ATOM 973 O ARG A 121 9.593 42.543 -25.832 1.00 42.17 O +ATOM 974 CB ARG A 121 10.306 43.273 -28.739 1.00 1.00 C +ATOM 975 CG ARG A 121 11.151 44.019 -29.747 1.00 15.88 C +ATOM 976 CD ARG A 121 10.477 45.324 -30.140 1.00 4.60 C +ATOM 977 NE ARG A 121 9.667 45.135 -31.329 1.00 35.36 N +ATOM 978 CZ ARG A 121 9.625 45.985 -32.342 1.00 46.67 C +ATOM 979 NH1 ARG A 121 10.360 47.101 -32.293 1.00 10.95 N +ATOM 980 NH2 ARG A 121 8.854 45.727 -33.395 1.00 11.94 N +ATOM 981 N LEU A 122 10.176 40.639 -26.863 1.00 18.48 N +ATOM 982 CA LEU A 122 9.312 39.839 -26.029 1.00 1.00 C +ATOM 983 C LEU A 122 9.811 38.421 -25.896 1.00 32.25 C +ATOM 984 O LEU A 122 9.798 37.669 -26.881 1.00 9.26 O +ATOM 985 CB LEU A 122 7.869 39.861 -26.547 1.00 1.00 C +ATOM 986 CG LEU A 122 6.890 39.144 -25.621 1.00 59.54 C +ATOM 987 CD1 LEU A 122 6.555 39.980 -24.379 1.00 7.63 C +ATOM 988 CD2 LEU A 122 5.631 38.788 -26.407 1.00 1.00 C +ATOM 989 N LEU A 123 10.237 38.087 -24.670 1.00 10.81 N +ATOM 990 CA LEU A 123 10.755 36.750 -24.394 1.00 33.35 C +ATOM 991 C LEU A 123 9.688 35.687 -24.225 1.00 11.22 C +ATOM 992 O LEU A 123 8.559 35.956 -23.833 1.00 18.50 O +ATOM 993 CB LEU A 123 11.581 36.676 -23.103 1.00 1.00 C +ATOM 994 CG LEU A 123 12.984 37.284 -23.108 1.00 14.38 C +ATOM 995 CD1 LEU A 123 13.720 36.755 -21.885 1.00 26.51 C +ATOM 996 CD2 LEU A 123 13.783 36.905 -24.348 1.00 32.41 C +ATOM 997 N ASN A 124 10.059 34.451 -24.518 1.00 9.17 N +ATOM 998 CA ASN A 124 9.116 33.358 -24.360 1.00 11.01 C +ATOM 999 C ASN A 124 9.279 32.833 -22.939 1.00 12.02 C +ATOM 1000 O ASN A 124 10.225 33.206 -22.251 1.00 19.89 O +ATOM 1001 CB ASN A 124 9.451 32.214 -25.321 1.00 26.87 C +ATOM 1002 CG ASN A 124 8.873 32.398 -26.701 1.00 11.81 C +ATOM 1003 OD1 ASN A 124 7.761 32.922 -26.869 1.00 26.87 O +ATOM 1004 ND2 ASN A 124 9.608 31.873 -27.675 1.00 34.15 N +ATOM 1005 N LEU A 125 8.383 31.966 -22.488 1.00 27.33 N +ATOM 1006 CA LEU A 125 8.472 31.419 -21.146 1.00 13.51 C +ATOM 1007 C LEU A 125 9.671 30.499 -20.991 1.00 46.56 C +ATOM 1008 O LEU A 125 10.064 30.098 -19.895 1.00 12.15 O +ATOM 1009 CB LEU A 125 7.178 30.675 -20.756 1.00 26.29 C +ATOM 1010 CG LEU A 125 6.141 31.520 -19.999 1.00 29.43 C +ATOM 1011 CD1 LEU A 125 6.501 32.991 -20.009 1.00 1.00 C +ATOM 1012 CD2 LEU A 125 4.726 31.355 -20.555 1.00 1.00 C +ATOM 1013 N ASP A 126 10.279 30.155 -22.113 1.00 4.92 N +ATOM 1014 CA ASP A 126 11.411 29.272 -22.035 1.00 1.00 C +ATOM 1015 C ASP A 126 12.729 29.997 -22.136 1.00 1.00 C +ATOM 1016 O ASP A 126 13.800 29.395 -22.116 1.00 28.85 O +ATOM 1017 CB ASP A 126 11.303 28.210 -23.128 1.00 4.36 C +ATOM 1018 CG ASP A 126 11.508 28.833 -24.481 1.00 7.83 C +ATOM 1019 OD1 ASP A 126 11.607 30.028 -24.685 1.00 29.54 O +ATOM 1020 OD2 ASP A 126 11.478 27.951 -25.437 1.00 19.05 O +ATOM 1021 N GLY A 127 12.661 31.308 -22.251 1.00 27.56 N +ATOM 1022 CA GLY A 127 13.897 32.039 -22.336 1.00 9.22 C +ATOM 1023 C GLY A 127 14.317 32.375 -23.746 1.00 1.00 C +ATOM 1024 O GLY A 127 15.252 33.166 -23.925 1.00 29.35 O +ATOM 1025 N THR A 128 13.634 31.790 -24.726 1.00 32.31 N +ATOM 1026 CA THR A 128 13.953 32.073 -26.109 1.00 6.21 C +ATOM 1027 C THR A 128 13.175 33.310 -26.458 1.00 1.00 C +ATOM 1028 O THR A 128 12.233 33.647 -25.745 1.00 3.30 O +ATOM 1029 CB THR A 128 13.463 30.959 -27.013 1.00 1.00 C +ATOM 1030 OG1 THR A 128 12.049 30.932 -27.003 1.00 23.46 O +ATOM 1031 CG2 THR A 128 13.976 29.709 -26.362 1.00 1.00 C +ATOM 1032 N CYS A 129 13.559 33.957 -27.545 1.00 37.97 N +ATOM 1033 CA CYS A 129 12.859 35.152 -27.943 1.00 16.40 C +ATOM 1034 C CYS A 129 11.572 34.840 -28.667 1.00 3.55 C +ATOM 1035 O CYS A 129 11.496 33.908 -29.460 1.00 31.43 O +ATOM 1036 CB CYS A 129 13.722 36.112 -28.764 1.00 42.17 C +ATOM 1037 SG CYS A 129 12.818 37.656 -28.983 1.00 14.68 S +ATOM 1038 N ALA A 130 10.565 35.650 -28.375 1.00 27.76 N +ATOM 1039 CA ALA A 130 9.261 35.491 -28.975 1.00 1.00 C +ATOM 1040 C ALA A 130 8.996 36.624 -29.935 1.00 22.86 C +ATOM 1041 O ALA A 130 7.983 36.675 -30.617 1.00 11.07 O +ATOM 1042 CB ALA A 130 8.222 35.566 -27.875 1.00 12.29 C +ATOM 1043 N ASP A 131 9.917 37.557 -29.986 1.00 27.01 N +ATOM 1044 CA ASP A 131 9.706 38.671 -30.870 1.00 14.37 C +ATOM 1045 C ASP A 131 10.998 39.432 -30.895 1.00 15.43 C +ATOM 1046 O ASP A 131 11.284 40.230 -30.000 1.00 32.99 O +ATOM 1047 CB ASP A 131 8.578 39.561 -30.317 1.00 11.29 C +ATOM 1048 CG ASP A 131 8.239 40.712 -31.228 1.00 12.93 C +ATOM 1049 OD1 ASP A 131 8.712 40.540 -32.432 1.00 10.63 O +ATOM 1050 OD2 ASP A 131 7.552 41.668 -30.904 1.00 17.53 O +ATOM 1051 N SER A 132 11.763 39.135 -31.934 1.00 6.41 N +ATOM 1052 CA SER A 132 13.063 39.740 -32.128 1.00 31.25 C +ATOM 1053 C SER A 132 13.261 40.337 -33.508 1.00 26.89 C +ATOM 1054 O SER A 132 12.438 40.171 -34.407 1.00 11.16 O +ATOM 1055 CB SER A 132 14.033 38.582 -32.078 1.00 13.94 C +ATOM 1056 OG SER A 132 13.881 37.924 -33.324 1.00 33.96 O +ATOM 1057 N TYR A 133 14.400 41.017 -33.639 1.00 13.20 N +ATOM 1058 CA TYR A 133 14.832 41.670 -34.859 1.00 7.23 C +ATOM 1059 C TYR A 133 16.340 41.790 -34.921 1.00 22.26 C +ATOM 1060 O TYR A 133 17.014 41.869 -33.884 1.00 1.42 O +ATOM 1061 CB TYR A 133 14.050 42.946 -35.207 1.00 16.89 C +ATOM 1062 CG TYR A 133 14.302 44.158 -34.346 1.00 38.95 C +ATOM 1063 CD1 TYR A 133 15.318 45.037 -34.705 1.00 4.26 C +ATOM 1064 CD2 TYR A 133 13.547 44.460 -33.208 1.00 23.97 C +ATOM 1065 CE1 TYR A 133 15.596 46.189 -33.963 1.00 42.07 C +ATOM 1066 CE2 TYR A 133 13.811 45.601 -32.452 1.00 16.15 C +ATOM 1067 CZ TYR A 133 14.840 46.467 -32.828 1.00 9.39 C +ATOM 1068 OH TYR A 133 15.130 47.605 -32.110 1.00 14.48 O +ATOM 1069 N SER A 134 16.859 41.782 -36.149 1.00 10.75 N +ATOM 1070 CA SER A 134 18.301 41.860 -36.356 1.00 17.05 C +ATOM 1071 C SER A 134 18.737 42.712 -37.521 1.00 1.00 C +ATOM 1072 O SER A 134 18.007 42.919 -38.480 1.00 11.55 O +ATOM 1073 CB SER A 134 18.901 40.482 -36.562 1.00 1.00 C +ATOM 1074 OG SER A 134 20.287 40.532 -36.290 1.00 7.34 O +ATOM 1075 N PHE A 135 19.958 43.198 -37.428 1.00 29.83 N +ATOM 1076 CA PHE A 135 20.509 44.027 -38.471 1.00 1.00 C +ATOM 1077 C PHE A 135 21.938 43.630 -38.729 1.00 1.00 C +ATOM 1078 O PHE A 135 22.742 43.527 -37.802 1.00 5.49 O +ATOM 1079 CB PHE A 135 20.456 45.524 -38.081 1.00 1.00 C +ATOM 1080 CG PHE A 135 19.108 46.190 -38.316 1.00 26.13 C +ATOM 1081 CD1 PHE A 135 18.644 46.462 -39.608 1.00 19.89 C +ATOM 1082 CD2 PHE A 135 18.283 46.558 -37.258 1.00 15.83 C +ATOM 1083 CE1 PHE A 135 17.412 47.071 -39.837 1.00 18.93 C +ATOM 1084 CE2 PHE A 135 17.038 47.167 -37.457 1.00 17.42 C +ATOM 1085 CZ PHE A 135 16.601 47.424 -38.754 1.00 6.61 C +ATOM 1086 N VAL A 136 22.251 43.402 -39.999 1.00 10.07 N +ATOM 1087 CA VAL A 136 23.612 43.067 -40.340 1.00 1.00 C +ATOM 1088 C VAL A 136 24.091 44.428 -40.821 1.00 7.11 C +ATOM 1089 O VAL A 136 23.437 45.037 -41.673 1.00 9.89 O +ATOM 1090 CB VAL A 136 23.765 42.083 -41.477 1.00 19.25 C +ATOM 1091 CG1 VAL A 136 25.233 42.132 -41.870 1.00 5.43 C +ATOM 1092 CG2 VAL A 136 23.413 40.667 -41.036 1.00 10.91 C +ATOM 1093 N PHE A 137 25.184 44.964 -40.300 1.00 19.95 N +ATOM 1094 CA PHE A 137 25.560 46.274 -40.793 1.00 13.15 C +ATOM 1095 C PHE A 137 26.867 46.310 -41.529 1.00 2.54 C +ATOM 1096 O PHE A 137 27.854 45.694 -41.132 1.00 18.50 O +ATOM 1097 CB PHE A 137 25.588 47.377 -39.717 1.00 19.05 C +ATOM 1098 CG PHE A 137 24.235 47.940 -39.378 1.00 4.16 C +ATOM 1099 CD1 PHE A 137 23.461 48.608 -40.334 1.00 4.91 C +ATOM 1100 CD2 PHE A 137 23.725 47.794 -38.090 1.00 34.40 C +ATOM 1101 CE1 PHE A 137 22.208 49.123 -40.005 1.00 17.43 C +ATOM 1102 CE2 PHE A 137 22.472 48.297 -37.740 1.00 1.54 C +ATOM 1103 CZ PHE A 137 21.717 48.962 -38.705 1.00 4.73 C +ATOM 1104 N SER A 138 26.843 47.078 -42.605 1.00 27.67 N +ATOM 1105 CA SER A 138 28.022 47.227 -43.419 1.00 1.00 C +ATOM 1106 C SER A 138 28.448 48.665 -43.667 1.00 40.28 C +ATOM 1107 O SER A 138 27.708 49.559 -44.075 1.00 26.14 O +ATOM 1108 CB SER A 138 27.965 46.421 -44.704 1.00 15.23 C +ATOM 1109 OG SER A 138 28.917 46.903 -45.634 1.00 10.08 O +ATOM 1110 N ARG A 139 29.716 48.861 -43.401 1.00 1.00 N +ATOM 1111 CA ARG A 139 30.353 50.132 -43.585 1.00 36.70 C +ATOM 1112 C ARG A 139 30.376 50.481 -45.080 1.00 8.24 C +ATOM 1113 O ARG A 139 30.695 51.608 -45.438 1.00 17.13 O +ATOM 1114 CB ARG A 139 31.739 50.032 -42.965 1.00 12.80 C +ATOM 1115 CG ARG A 139 32.116 51.207 -42.082 1.00 27.95 C +ATOM 1116 CD ARG A 139 32.340 50.941 -40.595 1.00 5.76 C +ATOM 1117 NE ARG A 139 31.683 52.082 -39.970 1.00 46.67 N +ATOM 1118 CZ ARG A 139 31.714 52.629 -38.762 1.00 12.25 C +ATOM 1119 NH1 ARG A 139 32.463 52.153 -37.755 1.00 8.03 N +ATOM 1120 NH2 ARG A 139 30.954 53.704 -38.576 1.00 17.92 N +ATOM 1121 N ASP A 140 30.030 49.541 -45.978 1.00 17.78 N +ATOM 1122 CA ASP A 140 30.004 49.783 -47.431 1.00 34.11 C +ATOM 1123 C ASP A 140 28.677 49.417 -48.113 1.00 22.72 C +ATOM 1124 O ASP A 140 28.175 48.297 -48.007 1.00 58.16 O +ATOM 1125 CB ASP A 140 31.199 49.175 -48.205 1.00 21.99 C +ATOM 1126 CG ASP A 140 31.366 49.579 -49.657 1.00100.00 C +ATOM 1127 OD1 ASP A 140 30.666 50.623 -50.022 1.00 92.28 O +ATOM 1128 OD2 ASP A 140 32.120 49.011 -50.430 1.00 26.21 O +ATOM 1129 N PRO A 141 28.096 50.373 -48.833 1.00 12.29 N +ATOM 1130 CA PRO A 141 26.843 50.151 -49.528 1.00 23.06 C +ATOM 1131 C PRO A 141 26.933 49.125 -50.637 1.00 7.86 C +ATOM 1132 O PRO A 141 26.031 49.035 -51.461 1.00 47.61 O +ATOM 1133 CB PRO A 141 26.479 51.471 -50.208 1.00 5.28 C +ATOM 1134 CG PRO A 141 27.618 52.442 -49.936 1.00100.00 C +ATOM 1135 CD PRO A 141 28.455 51.819 -48.831 1.00 31.72 C +ATOM 1136 N ASN A 142 28.001 48.352 -50.688 1.00 25.57 N +ATOM 1137 CA ASN A 142 28.091 47.376 -51.755 1.00 36.65 C +ATOM 1138 C ASN A 142 28.249 45.981 -51.226 1.00 72.21 C +ATOM 1139 O ASN A 142 28.321 45.029 -51.996 1.00 35.88 O +ATOM 1140 CB ASN A 142 29.254 47.647 -52.707 1.00 49.73 C +ATOM 1141 CG ASN A 142 29.007 48.926 -53.457 1.00 5.92 C +ATOM 1142 OD1 ASN A 142 27.952 49.093 -54.085 1.00 50.05 O +ATOM 1143 ND2 ASN A 142 29.973 49.836 -53.371 1.00100.00 N +ATOM 1144 N GLY A 143 28.308 45.902 -49.908 1.00 41.06 N +ATOM 1145 CA GLY A 143 28.450 44.619 -49.268 1.00 18.33 C +ATOM 1146 C GLY A 143 29.714 44.476 -48.453 1.00 17.02 C +ATOM 1147 O GLY A 143 30.577 45.351 -48.411 1.00 56.14 O +ATOM 1148 N LEU A 144 29.785 43.326 -47.796 1.00 27.66 N +ATOM 1149 CA LEU A 144 30.936 43.045 -46.986 1.00 20.94 C +ATOM 1150 C LEU A 144 31.821 42.059 -47.708 1.00 68.68 C +ATOM 1151 O LEU A 144 31.410 41.333 -48.608 1.00 32.31 O +ATOM 1152 CB LEU A 144 30.636 42.395 -45.629 1.00 9.86 C +ATOM 1153 CG LEU A 144 29.409 42.860 -44.878 1.00 35.98 C +ATOM 1154 CD1 LEU A 144 28.877 41.617 -44.178 1.00 32.59 C +ATOM 1155 CD2 LEU A 144 29.831 43.903 -43.844 1.00 6.00 C +ATOM 1156 N PRO A 145 33.057 42.050 -47.261 1.00 35.54 N +ATOM 1157 CA PRO A 145 34.054 41.172 -47.805 1.00 10.56 C +ATOM 1158 C PRO A 145 33.760 39.760 -47.350 1.00 31.76 C +ATOM 1159 O PRO A 145 33.311 39.562 -46.226 1.00 63.03 O +ATOM 1160 CB PRO A 145 35.364 41.613 -47.162 1.00 7.31 C +ATOM 1161 CG PRO A 145 35.082 42.814 -46.268 1.00 44.68 C +ATOM 1162 CD PRO A 145 33.616 43.146 -46.428 1.00 39.89 C +ATOM 1163 N PRO A 146 34.021 38.816 -48.245 1.00 18.76 N +ATOM 1164 CA PRO A 146 33.830 37.394 -48.043 1.00 39.51 C +ATOM 1165 C PRO A 146 34.257 36.971 -46.650 1.00 1.00 C +ATOM 1166 O PRO A 146 33.693 36.061 -46.042 1.00 64.72 O +ATOM 1167 CB PRO A 146 34.725 36.685 -49.067 1.00 1.00 C +ATOM 1168 CG PRO A 146 35.328 37.761 -49.955 1.00 78.74 C +ATOM 1169 CD PRO A 146 34.945 39.109 -49.368 1.00 43.44 C +ATOM 1170 N GLU A 147 35.265 37.651 -46.138 1.00 17.69 N +ATOM 1171 CA GLU A 147 35.753 37.339 -44.812 1.00 21.50 C +ATOM 1172 C GLU A 147 34.773 37.813 -43.757 1.00 27.26 C +ATOM 1173 O GLU A 147 34.467 37.104 -42.797 1.00 38.83 O +ATOM 1174 CB GLU A 147 37.154 37.915 -44.562 1.00 34.04 C +ATOM 1175 CG GLU A 147 38.101 37.757 -45.771 1.00100.00 C +ATOM 1176 CD GLU A 147 37.758 38.578 -47.005 1.00100.00 C +ATOM 1177 OE1 GLU A 147 36.674 39.161 -47.127 1.00 56.02 O +ATOM 1178 OE2 GLU A 147 38.672 38.587 -47.971 1.00 63.90 O +ATOM 1179 N ALA A 148 34.269 39.028 -43.926 1.00 12.95 N +ATOM 1180 CA ALA A 148 33.329 39.491 -42.931 1.00 8.44 C +ATOM 1181 C ALA A 148 32.030 38.718 -43.056 1.00 22.34 C +ATOM 1182 O ALA A 148 31.359 38.376 -42.077 1.00 26.69 O +ATOM 1183 CB ALA A 148 33.099 40.983 -42.985 1.00 1.00 C +ATOM 1184 N GLN A 149 31.694 38.433 -44.303 1.00 11.66 N +ATOM 1185 CA GLN A 149 30.482 37.705 -44.572 1.00 1.00 C +ATOM 1186 C GLN A 149 30.337 36.411 -43.809 1.00 1.00 C +ATOM 1187 O GLN A 149 29.242 36.035 -43.401 1.00 55.95 O +ATOM 1188 CB GLN A 149 30.019 37.696 -46.031 1.00 6.83 C +ATOM 1189 CG GLN A 149 28.518 38.028 -46.111 1.00 33.35 C +ATOM 1190 CD GLN A 149 28.027 37.998 -47.537 1.00 71.26 C +ATOM 1191 OE1 GLN A 149 28.538 37.238 -48.370 1.00 32.61 O +ATOM 1192 NE2 GLN A 149 27.050 38.844 -47.828 1.00 44.89 N +ATOM 1193 N LYS A 150 31.475 35.768 -43.605 1.00 34.37 N +ATOM 1194 CA LYS A 150 31.587 34.515 -42.888 1.00 1.00 C +ATOM 1195 C LYS A 150 31.264 34.583 -41.401 1.00 35.20 C +ATOM 1196 O LYS A 150 30.449 33.808 -40.893 1.00 43.62 O +ATOM 1197 CB LYS A 150 32.964 33.915 -43.084 1.00100.00 C +ATOM 1198 CG LYS A 150 32.899 32.497 -43.616 1.00 23.47 C +ATOM 1199 CD LYS A 150 33.828 32.284 -44.798 1.00100.00 C +ATOM 1200 CE LYS A 150 35.222 31.843 -44.386 1.00 77.73 C +ATOM 1201 NZ LYS A 150 35.915 31.115 -45.458 1.00 68.75 N +ATOM 1202 N ILE A 151 31.900 35.492 -40.670 1.00 49.07 N +ATOM 1203 CA ILE A 151 31.563 35.526 -39.261 1.00 62.45 C +ATOM 1204 C ILE A 151 30.117 35.960 -39.111 1.00 4.72 C +ATOM 1205 O ILE A 151 29.379 35.436 -38.277 1.00 17.09 O +ATOM 1206 CB ILE A 151 32.525 36.293 -38.363 1.00 48.65 C +ATOM 1207 CG1 ILE A 151 32.171 37.771 -38.339 1.00 43.03 C +ATOM 1208 CG2 ILE A 151 33.953 36.119 -38.861 1.00 40.13 C +ATOM 1209 CD1 ILE A 151 31.203 38.154 -37.228 1.00 65.25 C +ATOM 1210 N VAL A 152 29.727 36.918 -39.952 1.00 16.45 N +ATOM 1211 CA VAL A 152 28.364 37.407 -39.916 1.00 8.53 C +ATOM 1212 C VAL A 152 27.398 36.250 -40.023 1.00 1.77 C +ATOM 1213 O VAL A 152 26.455 36.156 -39.244 1.00 23.87 O +ATOM 1214 CB VAL A 152 28.117 38.439 -40.993 1.00 26.78 C +ATOM 1215 CG1 VAL A 152 26.623 38.621 -41.252 1.00 9.40 C +ATOM 1216 CG2 VAL A 152 28.693 39.691 -40.382 1.00 1.27 C +ATOM 1217 N ARG A 153 27.661 35.364 -40.980 1.00 16.12 N +ATOM 1218 CA ARG A 153 26.767 34.239 -41.087 1.00 15.91 C +ATOM 1219 C ARG A 153 26.875 33.370 -39.842 1.00 15.11 C +ATOM 1220 O ARG A 153 25.886 32.804 -39.375 1.00 1.00 O +ATOM 1221 CB ARG A 153 26.703 33.462 -42.395 1.00 15.50 C +ATOM 1222 CG ARG A 153 25.471 32.569 -42.260 1.00100.00 C +ATOM 1223 CD ARG A 153 24.834 32.005 -43.523 1.00 45.87 C +ATOM 1224 NE ARG A 153 24.525 30.588 -43.346 1.00100.00 N +ATOM 1225 CZ ARG A 153 23.327 30.096 -43.038 1.00 94.88 C +ATOM 1226 NH1 ARG A 153 22.314 30.947 -42.885 1.00 44.56 N +ATOM 1227 NH2 ARG A 153 23.122 28.781 -42.886 1.00 18.86 N +ATOM 1228 N GLN A 154 28.086 33.273 -39.287 1.00 17.60 N +ATOM 1229 CA GLN A 154 28.285 32.481 -38.083 1.00 29.76 C +ATOM 1230 C GLN A 154 27.394 33.122 -37.036 1.00 4.37 C +ATOM 1231 O GLN A 154 26.618 32.493 -36.305 1.00 16.80 O +ATOM 1232 CB GLN A 154 29.755 32.550 -37.642 1.00 31.81 C +ATOM 1233 CG GLN A 154 30.275 31.458 -36.685 1.00100.00 C +ATOM 1234 CD GLN A 154 31.765 31.642 -36.424 1.00100.00 C +ATOM 1235 OE1 GLN A 154 32.562 31.779 -37.367 1.00100.00 O +ATOM 1236 NE2 GLN A 154 32.151 31.717 -35.151 1.00 87.25 N +ATOM 1237 N ARG A 155 27.493 34.441 -36.978 1.00 41.43 N +ATOM 1238 CA ARG A 155 26.671 35.133 -36.014 1.00 10.89 C +ATOM 1239 C ARG A 155 25.164 34.985 -36.134 1.00 98.86 C +ATOM 1240 O ARG A 155 24.481 34.836 -35.126 1.00 12.04 O +ATOM 1241 CB ARG A 155 27.240 36.247 -35.135 1.00 41.43 C +ATOM 1242 CG ARG A 155 28.456 36.957 -35.724 1.00 19.44 C +ATOM 1243 CD ARG A 155 29.743 36.154 -35.542 1.00 37.04 C +ATOM 1244 NE ARG A 155 30.592 36.580 -34.430 1.00 29.10 N +ATOM 1245 CZ ARG A 155 31.061 35.755 -33.494 1.00 88.17 C +ATOM 1246 NH1 ARG A 155 30.760 34.459 -33.526 1.00 21.32 N +ATOM 1247 NH2 ARG A 155 31.835 36.184 -32.506 1.00 61.66 N +ATOM 1248 N GLN A 156 24.649 35.014 -37.362 1.00 18.62 N +ATOM 1249 CA GLN A 156 23.219 34.888 -37.580 1.00 15.51 C +ATOM 1250 C GLN A 156 22.702 33.568 -37.054 1.00 34.76 C +ATOM 1251 O GLN A 156 21.535 33.413 -36.702 1.00 6.56 O +ATOM 1252 CB GLN A 156 22.867 34.980 -39.071 1.00 23.05 C +ATOM 1253 CG GLN A 156 23.409 36.237 -39.767 1.00 2.04 C +ATOM 1254 CD GLN A 156 23.195 36.097 -41.256 1.00 26.69 C +ATOM 1255 OE1 GLN A 156 22.404 36.844 -41.846 1.00 16.72 O +ATOM 1256 NE2 GLN A 156 23.798 35.056 -41.832 1.00 10.04 N +ATOM 1257 N GLU A 157 23.611 32.611 -37.014 1.00 11.56 N +ATOM 1258 CA GLU A 157 23.291 31.282 -36.552 1.00 23.58 C +ATOM 1259 C GLU A 157 23.289 31.229 -35.036 1.00 20.77 C +ATOM 1260 O GLU A 157 22.463 30.590 -34.400 1.00 9.30 O +ATOM 1261 CB GLU A 157 24.228 30.237 -37.202 1.00 14.73 C +ATOM 1262 CG GLU A 157 23.560 28.883 -37.501 1.00 65.82 C +ATOM 1263 CD GLU A 157 23.713 28.391 -38.916 1.00 90.91 C +ATOM 1264 OE1 GLU A 157 24.959 28.207 -39.275 1.00 75.61 O +ATOM 1265 OE2 GLU A 157 22.762 28.117 -39.627 1.00100.00 O +ATOM 1266 N GLU A 158 24.219 31.915 -34.412 1.00 17.02 N +ATOM 1267 CA GLU A 158 24.188 31.847 -32.970 1.00 2.54 C +ATOM 1268 C GLU A 158 22.931 32.480 -32.400 1.00 16.99 C +ATOM 1269 O GLU A 158 22.565 32.169 -31.268 1.00 42.26 O +ATOM 1270 CB GLU A 158 25.442 32.427 -32.289 1.00 41.66 C +ATOM 1271 CG GLU A 158 26.729 31.762 -32.797 1.00 3.94 C +ATOM 1272 CD GLU A 158 27.944 32.644 -32.767 1.00 33.55 C +ATOM 1273 OE1 GLU A 158 27.654 33.913 -32.616 1.00 35.96 O +ATOM 1274 OE2 GLU A 158 29.080 32.214 -32.880 1.00 36.13 O +ATOM 1275 N LEU A 159 22.279 33.347 -33.178 1.00 1.00 N +ATOM 1276 CA LEU A 159 21.063 33.998 -32.723 1.00 7.66 C +ATOM 1277 C LEU A 159 19.838 33.194 -33.104 1.00 51.63 C +ATOM 1278 O LEU A 159 18.686 33.590 -32.897 1.00 24.19 O +ATOM 1279 CB LEU A 159 20.930 35.418 -33.284 1.00 1.18 C +ATOM 1280 CG LEU A 159 22.146 36.259 -32.944 1.00 27.90 C +ATOM 1281 CD1 LEU A 159 22.109 37.523 -33.777 1.00 4.18 C +ATOM 1282 CD2 LEU A 159 22.092 36.615 -31.471 1.00 4.26 C +ATOM 1283 N CYS A 160 20.128 32.038 -33.675 1.00 1.00 N +ATOM 1284 CA CYS A 160 19.077 31.151 -34.108 1.00 19.50 C +ATOM 1285 C CYS A 160 18.164 31.910 -35.048 1.00 16.97 C +ATOM 1286 O CYS A 160 16.964 31.727 -34.925 1.00 6.08 O +ATOM 1287 CB CYS A 160 18.222 30.707 -32.906 1.00 11.94 C +ATOM 1288 SG CYS A 160 19.141 30.087 -31.474 1.00 25.82 S +ATOM 1289 N LEU A 161 18.721 32.753 -35.932 1.00 18.84 N +ATOM 1290 CA LEU A 161 17.961 33.566 -36.881 1.00 9.73 C +ATOM 1291 C LEU A 161 18.410 33.412 -38.311 1.00 18.95 C +ATOM 1292 O LEU A 161 17.904 34.078 -39.211 1.00 5.56 O +ATOM 1293 CB LEU A 161 18.217 35.040 -36.587 1.00 13.49 C +ATOM 1294 CG LEU A 161 17.737 35.413 -35.205 1.00 1.76 C +ATOM 1295 CD1 LEU A 161 18.355 36.757 -34.829 1.00 16.29 C +ATOM 1296 CD2 LEU A 161 16.221 35.531 -35.310 1.00 1.00 C +ATOM 1297 N ALA A 162 19.382 32.531 -38.479 1.00 7.52 N +ATOM 1298 CA ALA A 162 19.930 32.258 -39.778 1.00 9.78 C +ATOM 1299 C ALA A 162 18.815 31.935 -40.746 1.00 47.78 C +ATOM 1300 O ALA A 162 17.785 31.398 -40.334 1.00 40.54 O +ATOM 1301 CB ALA A 162 20.902 31.098 -39.666 1.00 16.72 C +ATOM 1302 N ARG A 163 19.051 32.284 -42.009 1.00 35.76 N +ATOM 1303 CA ARG A 163 18.091 32.036 -43.065 1.00100.00 C +ATOM 1304 C ARG A 163 16.689 32.423 -42.664 1.00 61.46 C +ATOM 1305 O ARG A 163 15.721 31.685 -42.808 1.00 31.68 O +ATOM 1306 CB ARG A 163 18.189 30.597 -43.533 1.00100.00 C +ATOM 1307 CG ARG A 163 19.657 30.199 -43.516 1.00100.00 C +ATOM 1308 CD ARG A 163 19.894 28.768 -43.953 1.00 1.23 C +ATOM 1309 NE ARG A 163 20.325 27.865 -42.881 1.00100.00 N +ATOM 1310 CZ ARG A 163 19.517 27.107 -42.135 1.00 99.68 C +ATOM 1311 NH1 ARG A 163 18.202 27.149 -42.342 1.00 91.87 N +ATOM 1312 NH2 ARG A 163 19.983 26.303 -41.180 1.00 32.43 N +ATOM 1313 N GLN A 164 16.650 33.624 -42.130 1.00 45.38 N +ATOM 1314 CA GLN A 164 15.435 34.232 -41.675 1.00 1.00 C +ATOM 1315 C GLN A 164 15.560 35.700 -42.012 1.00 24.00 C +ATOM 1316 O GLN A 164 14.607 36.478 -42.007 1.00 9.38 O +ATOM 1317 CB GLN A 164 15.218 33.997 -40.177 1.00 6.09 C +ATOM 1318 CG GLN A 164 13.788 33.500 -39.941 1.00 14.11 C +ATOM 1319 CD GLN A 164 13.429 33.329 -38.484 1.00 87.04 C +ATOM 1320 OE1 GLN A 164 13.986 32.459 -37.798 1.00 20.00 O +ATOM 1321 NE2 GLN A 164 12.463 34.128 -38.033 1.00 56.96 N +ATOM 1322 N TYR A 165 16.795 36.069 -42.317 1.00 43.25 N +ATOM 1323 CA TYR A 165 17.039 37.442 -42.672 1.00 16.87 C +ATOM 1324 C TYR A 165 16.555 37.618 -44.089 1.00 25.76 C +ATOM 1325 O TYR A 165 16.113 36.651 -44.719 1.00 15.19 O +ATOM 1326 CB TYR A 165 18.529 37.792 -42.621 1.00 1.00 C +ATOM 1327 CG TYR A 165 19.088 37.901 -41.225 1.00 16.64 C +ATOM 1328 CD1 TYR A 165 19.250 36.775 -40.412 1.00 3.81 C +ATOM 1329 CD2 TYR A 165 19.454 39.148 -40.723 1.00 18.18 C +ATOM 1330 CE1 TYR A 165 19.778 36.903 -39.125 1.00 4.76 C +ATOM 1331 CE2 TYR A 165 19.986 39.298 -39.443 1.00 1.00 C +ATOM 1332 CZ TYR A 165 20.143 38.165 -38.648 1.00 1.00 C +ATOM 1333 OH TYR A 165 20.652 38.306 -37.397 1.00 5.95 O +ATOM 1334 N ARG A 166 16.654 38.863 -44.541 1.00 11.70 N +ATOM 1335 CA ARG A 166 16.272 39.292 -45.874 1.00 23.97 C +ATOM 1336 C ARG A 166 17.094 40.493 -46.318 1.00 1.00 C +ATOM 1337 O ARG A 166 17.238 41.502 -45.620 1.00 12.97 O +ATOM 1338 CB ARG A 166 14.794 39.583 -46.028 1.00 56.52 C +ATOM 1339 CG ARG A 166 14.504 40.969 -45.494 1.00 8.96 C +ATOM 1340 CD ARG A 166 13.365 41.672 -46.201 1.00 44.97 C +ATOM 1341 NE ARG A 166 12.648 42.428 -45.195 1.00 19.15 N +ATOM 1342 CZ ARG A 166 12.585 43.748 -45.155 1.00 39.40 C +ATOM 1343 NH1 ARG A 166 13.187 44.491 -46.074 1.00 26.74 N +ATOM 1344 NH2 ARG A 166 11.918 44.352 -44.197 1.00 41.98 N +ATOM 1345 N LEU A 167 17.645 40.350 -47.514 1.00 29.01 N +ATOM 1346 CA LEU A 167 18.475 41.357 -48.136 1.00 2.14 C +ATOM 1347 C LEU A 167 17.877 42.762 -48.136 1.00 14.07 C +ATOM 1348 O LEU A 167 16.712 42.977 -48.469 1.00 16.55 O +ATOM 1349 CB LEU A 167 18.727 40.899 -49.575 1.00 11.42 C +ATOM 1350 CG LEU A 167 20.102 40.279 -49.816 1.00 33.61 C +ATOM 1351 CD1 LEU A 167 20.976 40.344 -48.573 1.00 14.01 C +ATOM 1352 CD2 LEU A 167 19.961 38.840 -50.283 1.00 11.28 C +ATOM 1353 N ILE A 168 18.682 43.748 -47.754 1.00 26.91 N +ATOM 1354 CA ILE A 168 18.213 45.119 -47.739 1.00 3.89 C +ATOM 1355 C ILE A 168 18.798 45.849 -48.921 1.00 23.71 C +ATOM 1356 O ILE A 168 20.008 45.905 -49.092 1.00 20.14 O +ATOM 1357 CB ILE A 168 18.501 45.933 -46.479 1.00 1.00 C +ATOM 1358 CG1 ILE A 168 17.562 45.508 -45.370 1.00 1.00 C +ATOM 1359 CG2 ILE A 168 18.315 47.427 -46.720 1.00 1.00 C +ATOM 1360 CD1 ILE A 168 18.389 45.170 -44.135 1.00 8.75 C +ATOM 1361 N VAL A 169 17.906 46.401 -49.719 1.00 28.74 N +ATOM 1362 CA VAL A 169 18.271 47.145 -50.892 1.00 25.71 C +ATOM 1363 C VAL A 169 18.460 48.605 -50.538 1.00 9.59 C +ATOM 1364 O VAL A 169 17.960 49.113 -49.541 1.00 36.83 O +ATOM 1365 CB VAL A 169 17.161 47.030 -51.929 1.00 10.10 C +ATOM 1366 CG1 VAL A 169 17.260 48.088 -53.018 1.00 38.92 C +ATOM 1367 CG2 VAL A 169 17.128 45.636 -52.527 1.00 47.61 C +ATOM 1368 N HIS A 170 19.215 49.239 -51.409 1.00 23.61 N +ATOM 1369 CA HIS A 170 19.578 50.627 -51.392 1.00 47.84 C +ATOM 1370 C HIS A 170 19.573 50.963 -52.872 1.00 60.77 C +ATOM 1371 O HIS A 170 20.647 51.004 -53.459 1.00 32.26 O +ATOM 1372 CB HIS A 170 20.996 50.776 -50.816 1.00 27.11 C +ATOM 1373 CG HIS A 170 21.130 50.290 -49.409 1.00 20.23 C +ATOM 1374 ND1 HIS A 170 21.070 51.167 -48.339 1.00 75.86 N +ATOM 1375 CD2 HIS A 170 21.323 49.035 -48.918 1.00 32.94 C +ATOM 1376 CE1 HIS A 170 21.223 50.444 -47.234 1.00 42.37 C +ATOM 1377 NE2 HIS A 170 21.376 49.158 -47.546 1.00 35.26 N +ATOM 1378 N ASN A 171 18.375 51.157 -53.450 1.00 23.90 N +ATOM 1379 CA ASN A 171 18.162 51.468 -54.858 1.00 25.84 C +ATOM 1380 C ASN A 171 18.066 52.968 -55.093 1.00 65.62 C +ATOM 1381 O ASN A 171 17.847 53.452 -56.207 1.00 57.70 O +ATOM 1382 CB ASN A 171 16.889 50.768 -55.360 1.00 76.46 C +ATOM 1383 CG ASN A 171 15.759 51.124 -54.425 1.00100.00 C +ATOM 1384 OD1 ASN A 171 15.968 51.984 -53.558 1.00 23.10 O +ATOM 1385 ND2 ASN A 171 14.603 50.475 -54.572 1.00 71.95 N +ATOM 1386 N GLY A 172 18.222 53.668 -53.974 1.00 54.53 N +ATOM 1387 CA GLY A 172 18.192 55.112 -53.888 1.00100.00 C +ATOM 1388 C GLY A 172 16.896 55.782 -53.449 1.00100.00 C +ATOM 1389 O GLY A 172 16.809 56.989 -53.652 1.00 51.95 O +ATOM 1390 N TYR A 173 15.916 55.071 -52.866 1.00100.00 N +ATOM 1391 CA TYR A 173 14.675 55.725 -52.454 1.00 14.10 C +ATOM 1392 C TYR A 173 14.863 57.011 -51.661 1.00100.00 C +ATOM 1393 O TYR A 173 14.633 58.101 -52.181 1.00 65.33 O +ATOM 1394 CB TYR A 173 13.538 54.865 -51.845 1.00100.00 C +ATOM 1395 CG TYR A 173 12.183 55.536 -52.001 1.00 20.43 C +ATOM 1396 CD1 TYR A 173 11.809 56.620 -51.211 1.00 59.55 C +ATOM 1397 CD2 TYR A 173 11.279 55.080 -52.966 1.00100.00 C +ATOM 1398 CE1 TYR A 173 10.567 57.238 -51.375 1.00100.00 C +ATOM 1399 CE2 TYR A 173 10.034 55.680 -53.143 1.00100.00 C +ATOM 1400 CZ TYR A 173 9.680 56.768 -52.340 1.00100.00 C +ATOM 1401 OH TYR A 173 8.458 57.367 -52.507 1.00100.00 O +ATOM 1402 N CYS A 174 15.285 56.854 -50.410 1.00100.00 N +ATOM 1403 CA CYS A 174 15.524 57.930 -49.464 1.00100.00 C +ATOM 1404 C CYS A 174 16.222 59.189 -49.959 1.00100.00 C +ATOM 1405 O CYS A 174 17.469 59.265 -49.887 1.00 71.89 O +ATOM 1406 CB CYS A 174 16.039 57.440 -48.099 1.00 76.93 C +ATOM 1407 SG CYS A 174 14.666 57.382 -46.928 1.00 94.40 S +ATOM 1408 N ASP A 175 15.506 60.161 -50.283 1.00100.00 N +TER 1409 ASP A 175 +HETATM 1410 O HOH A 183 6.010 46.045 -31.639 1.00 41.80 O +HETATM 1411 O HOH A 184 19.097 51.227 -36.205 1.00 37.43 O +HETATM 1412 O HOH A 185 16.316 54.153 -35.014 1.00 36.90 O +HETATM 1413 O HOH A 186 18.566 54.559 -34.852 1.00 51.62 O +HETATM 1414 O HOH A 187 14.030 52.856 -36.374 1.00 49.52 O +HETATM 1415 O HOH A 188 13.261 50.604 -35.042 1.00 29.30 O +HETATM 1416 O HOH A 189 12.451 48.407 -36.133 1.00 33.99 O +HETATM 1417 O HOH A 190 11.733 47.235 -37.964 1.00 15.57 O +HETATM 1418 O HOH A 191 38.433 39.220 -50.742 1.00 52.87 O +HETATM 1419 O HOH A 192 37.103 38.442 -52.887 1.00 66.29 O +HETATM 1420 O HOH A 193 14.617 46.441 -56.686 1.00 65.38 O +HETATM 1421 O HOH A 194 19.351 29.092 -37.282 1.00 34.66 O +HETATM 1422 O HOH A 195 6.908 42.437 -28.208 1.00 52.05 O +HETATM 1423 O HOH A 196 15.923 61.262 -53.662 1.00 22.87 O +HETATM 1424 O HOH A 197 21.338 30.364 -19.143 1.00 34.54 O +HETATM 1425 O HOH A 198 19.876 26.538 -38.322 1.00 43.59 O +HETATM 1426 O HOH A 199 33.602 31.994 -47.571 1.00 34.61 O +HETATM 1427 O HOH A 200 41.977 53.451 -37.392 1.00 55.44 O +HETATM 1428 O HOH A 201 42.067 41.672 -22.184 1.00 60.72 O +HETATM 1429 O HOH A 202 39.753 43.379 -19.196 1.00 91.25 O +HETATM 1430 O HOH A 203 17.201 26.999 -26.701 1.00 36.65 O +HETATM 1431 O HOH A 204 -2.478 40.412 -37.839 1.00 72.88 O +HETATM 1432 O HOH A 205 37.556 44.007 -19.470 1.00 30.32 O +HETATM 1433 O HOH A 206 3.901 46.589 -40.711 1.00 34.87 O +HETATM 1434 O HOH A 207 34.617 54.437 -25.253 1.00 68.17 O +HETATM 1435 O HOH A 208 35.360 35.883 -31.009 1.00 59.35 O +HETATM 1436 O HOH A 209 33.040 55.049 -43.228 1.00 64.15 O +HETATM 1437 O HOH A 210 29.392 58.604 -45.196 1.00 86.57 O +HETATM 1438 O HOH A 211 8.586 45.345 -51.850 1.00 31.30 O +HETATM 1439 O HOH A 212 30.984 60.991 -32.517 1.00 77.23 O +HETATM 1440 O HOH A 213 6.743 41.581 -43.372 1.00 44.53 O +HETATM 1441 O HOH A 214 26.741 31.200 -25.242 1.00 75.69 O +HETATM 1442 O HOH A 215 27.900 59.893 -18.855 1.00 84.57 O +HETATM 1443 O HOH A 216 5.108 46.231 -45.661 1.00 71.71 O +HETATM 1444 O HOH A 217 31.630 56.494 -42.146 1.00 39.33 O +HETATM 1445 O HOH A 218 24.523 58.861 -46.835 1.00 47.06 O +HETATM 1446 O HOH A 219 14.133 24.372 -20.208 1.00 43.96 O +HETATM 1447 O HOH A 220 17.536 64.210 -38.199 1.00 74.72 O +HETATM 1448 O HOH A 221 12.021 59.347 -20.837 1.00 40.03 O +HETATM 1449 O HOH A 222 8.255 60.080 -26.119 1.00 71.64 O +HETATM 1450 O HOH A 223 41.473 47.993 -36.661 1.00 73.12 O +HETATM 1451 O HOH A 224 23.147 56.904 -47.822 1.00 72.13 O +HETATM 1452 O HOH A 225 -3.754 52.774 -54.270 1.00 45.06 O +HETATM 1453 O HOH A 226 2.016 36.276 -30.065 1.00 62.50 O +HETATM 1454 O HOH A 227 40.811 46.372 -29.006 1.00 45.29 O +HETATM 1455 O HOH A 228 6.237 62.883 -29.972 1.00 93.91 O +HETATM 1456 O HOH A 229 13.625 34.928 -32.844 1.00 15.23 O +HETATM 1457 O HOH A 230 7.113 66.867 -32.886 1.00 80.83 O +HETATM 1458 O HOH A 231 16.231 41.642 -26.603 1.00 23.28 O +HETATM 1459 O HOH A 232 7.294 40.669 -39.853 1.00 23.97 O +HETATM 1460 O HOH A 233 16.878 35.158 -31.449 1.00 9.42 O +HETATM 1461 O HOH A 234 14.766 65.110 -33.066 1.00 38.38 O +HETATM 1462 O HOH A 235 15.961 32.794 -29.085 1.00 15.37 O +HETATM 1463 O HOH A 236 3.403 66.937 -31.932 1.00 28.03 O +HETATM 1464 O HOH A 237 10.653 27.913 -28.576 1.00 18.63 O +CONECT 34 1288 +CONECT 563 1407 +CONECT 969 1037 +CONECT 1037 969 +CONECT 1288 34 +CONECT 1407 563 +MASTER 349 0 0 2 9 0 0 6 1463 1 6 14 +END diff --git a/pyaptamer/datasets/data/5nu7.pdb b/pyaptamer/datasets/data/5nu7.pdb new file mode 100644 index 00000000..0573a966 --- /dev/null +++ b/pyaptamer/datasets/data/5nu7.pdb @@ -0,0 +1,3457 @@ +HEADER TRANSPORT PROTEIN 28-APR-17 5NU7 +TITLE STRUCTURE OF HUMAN HOLO PLASMA RBP4 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: RETINOL-BINDING PROTEIN 4; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: PLASMA RETINOL-BINDING PROTEIN,RBP +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606 +KEYWDS RBP4, PLASMA RETINOL-BINDING PROTEIN, LIPOCALIN, RETINOL, TRANSPORT +KEYWDS 2 PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR M.PERDUCA,H.L.MONACO,M.GALLIANO +REVDAT 3 13-NOV-24 5NU7 1 REMARK +REVDAT 2 17-JAN-24 5NU7 1 REMARK +REVDAT 1 07-MAR-18 5NU7 0 +JRNL AUTH M.PERDUCA,S.NICOLIS,B.MANNUCCI,M.GALLIANO,H.L.MONACO +JRNL TITL HUMAN PLASMA RETINOL-BINDING PROTEIN (RBP4) IS ALSO A FATTY +JRNL TITL 2 ACID-BINDING PROTEIN. +JRNL REF BIOCHIM. BIOPHYS. ACTA V.1863 458 2018 +JRNL REFN ISSN 0006-3002 +JRNL PMID 29414511 +JRNL DOI 10.1016/J.BBALIP.2018.01.010 +REMARK 2 +REMARK 2 RESOLUTION. 1.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0073 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 3 NUMBER OF REFLECTIONS : 44136 +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) : 0.181 +REMARK 3 R VALUE (WORKING SET) : 0.180 +REMARK 3 FREE R VALUE : 0.210 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 +REMARK 3 FREE R VALUE TEST SET COUNT : 2287 +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) : 1.50 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 3245 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.24 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2660 +REMARK 3 BIN FREE R VALUE SET COUNT : 170 +REMARK 3 BIN FREE R VALUE : 0.2800 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1408 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 22 +REMARK 3 SOLVENT ATOMS : 77 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 41.23 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.57000 +REMARK 3 B22 (A**2) : 0.57000 +REMARK 3 B33 (A**2) : -1.86000 +REMARK 3 B12 (A**2) : 0.29000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.061 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.059 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.051 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.135 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.970 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.961 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1464 ; 0.003 ; 0.020 +REMARK 3 BOND LENGTHS OTHERS (A): 1340 ; 0.000 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1981 ; 0.641 ; 1.947 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 3068 ; 0.462 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 173 ; 8.896 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 78 ;33.606 ;23.846 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 241 ;12.794 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;14.859 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 203 ; 0.040 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1692 ; 0.004 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 373 ; 0.005 ; 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): 696 ; 8.300 ; 2.364 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 697 ; 8.302 ; 2.370 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 869 ; 9.084 ; 3.555 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 869 ; 9.084 ; 3.552 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 768 ;14.122 ; 3.080 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 769 ;14.113 ; 3.079 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1113 ;15.074 ; 4.382 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1675 ;14.239 ;21.810 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1653 ;14.317 ;21.813 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): 2803 ;16.335 ; 3.000 +REMARK 3 SPHERICITY; FREE ATOMS (A**2): 44 ;17.405 ; 5.000 +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 2803 ;23.057 ; 5.000 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 1 +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 1 A 277 +REMARK 3 ORIGIN FOR THE GROUP (A): 19.7891 13.6746 -0.1851 +REMARK 3 T TENSOR +REMARK 3 T11: 0.1074 T22: 0.0439 +REMARK 3 T33: 0.0901 T12: 0.0288 +REMARK 3 T13: -0.0800 T23: -0.0387 +REMARK 3 L TENSOR +REMARK 3 L11: 1.4029 L22: 2.0345 +REMARK 3 L33: 1.6368 L12: -0.1334 +REMARK 3 L13: 0.1157 L23: -0.1704 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0041 S12: 0.0165 S13: -0.0452 +REMARK 3 S21: 0.0184 S22: 0.1696 S23: 0.0096 +REMARK 3 S31: 0.2664 S32: -0.0558 S33: -0.1737 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : NULL +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 5NU7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 28-APR-17. +REMARK 100 THE DEPOSITION ID IS D_1200004735. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 14-MAR-15 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : ID29 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M-F +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : IMOSFLM +REMARK 200 DATA SCALING SOFTWARE : SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 46674 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 38.160 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : 4.300 +REMARK 200 R MERGE (I) : 0.05800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 12.6000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.58 +REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.46200 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.800 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: 1BRP +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): NULL +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 4.5 M NACL, 20 MM NA CACODYLATE, PH +REMARK 280 6.8, MICRODIALYSIS, TEMPERATURE 277K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z +REMARK 290 3555 -X+Y,-X,Z +REMARK 290 4555 X+2/3,Y+1/3,Z+1/3 +REMARK 290 5555 -Y+2/3,X-Y+1/3,Z+1/3 +REMARK 290 6555 -X+Y+2/3,-X+1/3,Z+1/3 +REMARK 290 7555 X+1/3,Y+2/3,Z+2/3 +REMARK 290 8555 -Y+1/3,X-Y+2/3,Z+2/3 +REMARK 290 9555 -X+Y+1/3,-X+2/3,Z+2/3 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 51.54850 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 29.76154 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 24.51733 +REMARK 290 SMTRY1 5 -0.500000 -0.866025 0.000000 51.54850 +REMARK 290 SMTRY2 5 0.866025 -0.500000 0.000000 29.76154 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 24.51733 +REMARK 290 SMTRY1 6 -0.500000 0.866025 0.000000 51.54850 +REMARK 290 SMTRY2 6 -0.866025 -0.500000 0.000000 29.76154 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 24.51733 +REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 59.52308 +REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 49.03467 +REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 59.52308 +REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 49.03467 +REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 59.52308 +REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 49.03467 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 920 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 9350 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 GLY A 176 +REMARK 465 ARG A 177 +REMARK 465 SER A 178 +REMARK 465 GLU A 179 +REMARK 465 ARG A 180 +REMARK 465 ASN A 181 +REMARK 465 LEU A 182 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ASP A 175 CA C O CB CG OD1 OD2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O HOH A 368 O HOH A 371 1.92 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 GLN A 38 -62.75 -99.39 +REMARK 500 LEU A 64 174.51 -59.80 +REMARK 500 VAL A 69 125.22 -171.86 +REMARK 500 TYR A 111 -40.98 80.72 +REMARK 500 THR A 113 -59.32 -135.71 +REMARK 500 ASN A 171 22.08 -140.20 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue RTL A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 202 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1BRP RELATED DB: PDB +DBREF 5NU7 A 1 182 UNP P02753 RET4_HUMAN 19 200 +SEQRES 1 A 182 GLU ARG ASP CYS ARG VAL SER SER PHE ARG VAL LYS GLU +SEQRES 2 A 182 ASN PHE ASP LYS ALA ARG PHE SER GLY THR TRP TYR ALA +SEQRES 3 A 182 MET ALA LYS LYS ASP PRO GLU GLY LEU PHE LEU GLN ASP +SEQRES 4 A 182 ASN ILE VAL ALA GLU PHE SER VAL ASP GLU THR GLY GLN +SEQRES 5 A 182 MET SER ALA THR ALA LYS GLY ARG VAL ARG LEU LEU ASN +SEQRES 6 A 182 ASN TRP ASP VAL CYS ALA ASP MET VAL GLY THR PHE THR +SEQRES 7 A 182 ASP THR GLU ASP PRO ALA LYS PHE LYS MET LYS TYR TRP +SEQRES 8 A 182 GLY VAL ALA SER PHE LEU GLN LYS GLY ASN ASP ASP HIS +SEQRES 9 A 182 TRP ILE VAL ASP THR ASP TYR ASP THR TYR ALA VAL GLN +SEQRES 10 A 182 TYR SER CYS ARG LEU LEU ASN LEU ASP GLY THR CYS ALA +SEQRES 11 A 182 ASP SER TYR SER PHE VAL PHE SER ARG ASP PRO ASN GLY +SEQRES 12 A 182 LEU PRO PRO GLU ALA GLN LYS ILE VAL ARG GLN ARG GLN +SEQRES 13 A 182 GLU GLU LEU CYS LEU ALA ARG GLN TYR ARG LEU ILE VAL +SEQRES 14 A 182 HIS ASN GLY TYR CYS ASP GLY ARG SER GLU ARG ASN LEU +HET RTL A 201 21 +HET CL A 202 1 +HETNAM RTL RETINOL +HETNAM CL CHLORIDE ION +FORMUL 2 RTL C20 H30 O +FORMUL 3 CL CL 1- +FORMUL 4 HOH *77(H2 O) +HELIX 1 AA1 ARG A 5 PHE A 9 5 5 +HELIX 2 AA2 ASP A 16 SER A 21 1 6 +HELIX 3 AA3 PRO A 145 LEU A 159 1 15 +SHEET 1 AA110 ARG A 166 LEU A 167 0 +SHEET 2 AA110 GLY A 22 LYS A 30 -1 N LYS A 29 O ARG A 166 +SHEET 3 AA110 CYS A 129 SER A 138 -1 O SER A 138 N TYR A 25 +SHEET 4 AA110 TYR A 114 LEU A 123 -1 N GLN A 117 O PHE A 135 +SHEET 5 AA110 GLY A 100 THR A 109 -1 N ASP A 108 O VAL A 116 +SHEET 6 AA110 LYS A 85 GLY A 92 -1 N MET A 88 O ASP A 102 +SHEET 7 AA110 TRP A 67 ASP A 79 -1 N VAL A 74 O TRP A 91 +SHEET 8 AA110 MET A 53 LEU A 63 -1 N ALA A 57 O MET A 73 +SHEET 9 AA110 ASP A 39 VAL A 47 -1 N SER A 46 O SER A 54 +SHEET 10 AA110 GLY A 22 LYS A 30 -1 N GLY A 22 O PHE A 45 +SSBOND 1 CYS A 4 CYS A 160 1555 1555 2.04 +SSBOND 2 CYS A 70 CYS A 174 1555 1555 2.04 +SSBOND 3 CYS A 120 CYS A 129 1555 1555 2.06 +SITE 1 AC1 4 LEU A 35 PHE A 36 MET A 73 GLN A 98 +SITE 1 AC2 3 SER A 7 ARG A 153 ALA A 162 +CRYST1 103.097 103.097 73.552 90.00 90.00 120.00 H 3 9 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.009700 0.005600 0.000000 0.00000 +SCALE2 0.000000 0.011200 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013596 0.00000 +ATOM 1 N GLU A 1 19.517 38.609 -6.317 1.00 68.33 N +ANISOU 1 N GLU A 1 8647 7396 9917 335 -199 303 N +ATOM 2 CA GLU A 1 20.830 38.600 -7.016 1.00 80.74 C +ANISOU 2 CA GLU A 1 10223 8969 11488 215 -160 309 C +ATOM 3 C GLU A 1 21.263 37.171 -7.303 1.00 77.94 C +ANISOU 3 C GLU A 1 9824 8774 11014 174 -167 269 C +ATOM 4 O GLU A 1 21.713 36.863 -8.406 1.00 70.93 O +ANISOU 4 O GLU A 1 8944 7945 10063 112 -138 338 O +ATOM 5 CB GLU A 1 21.894 39.306 -6.172 1.00116.47 C +ANISOU 5 CB GLU A 1 14749 13376 16127 161 -140 196 C +ATOM 6 CG GLU A 1 23.296 39.226 -6.757 1.00106.97 C +ANISOU 6 CG GLU A 1 13519 12186 14940 34 -95 190 C +ATOM 7 CD GLU A 1 24.209 40.324 -6.245 1.00 99.30 C +ANISOU 7 CD GLU A 1 12556 11059 14116 -37 -77 130 C +ATOM 8 OE1 GLU A 1 25.226 39.999 -5.597 1.00115.38 O +ANISOU 8 OE1 GLU A 1 14537 13115 16186 -96 -88 7 O +ATOM 9 OE2 GLU A 1 23.911 41.511 -6.491 1.00 89.04 O +ANISOU 9 OE2 GLU A 1 11317 9612 12902 -36 -60 206 O +ATOM 10 N ARG A 2 21.127 36.299 -6.308 1.00 83.37 N +ANISOU 10 N ARG A 2 10478 9529 11669 213 -202 157 N +ATOM 11 CA ARG A 2 21.567 34.918 -6.456 1.00 62.45 C +ANISOU 11 CA ARG A 2 7794 7013 8919 183 -212 107 C +ATOM 12 C ARG A 2 20.792 34.234 -7.569 1.00 47.27 C +ANISOU 12 C ARG A 2 5886 5189 6886 191 -230 213 C +ATOM 13 O ARG A 2 19.576 34.391 -7.688 1.00 41.17 O +ANISOU 13 O ARG A 2 5121 4420 6100 252 -265 288 O +ATOM 14 CB ARG A 2 21.398 34.127 -5.158 1.00 56.84 C +ANISOU 14 CB ARG A 2 7060 6347 8190 233 -252 -13 C +ATOM 15 CG ARG A 2 22.020 32.736 -5.232 1.00 51.70 C +ANISOU 15 CG ARG A 2 6381 5808 7453 202 -265 -72 C +ATOM 16 CD ARG A 2 21.980 31.993 -3.907 1.00 63.64 C +ANISOU 16 CD ARG A 2 7880 7352 8946 246 -306 -184 C +ATOM 17 NE ARG A 2 22.547 32.758 -2.797 1.00 78.37 N +ANISOU 17 NE ARG A 2 9748 9132 10896 253 -312 -279 N +ATOM 18 CZ ARG A 2 23.837 32.773 -2.468 1.00100.48 C +ANISOU 18 CZ ARG A 2 12521 11915 13741 202 -318 -367 C +ATOM 19 NH1 ARG A 2 24.724 32.075 -3.168 1.00 64.20 N +ANISOU 19 NH1 ARG A 2 7886 7386 9121 150 -303 -368 N +ATOM 20 NH2 ARG A 2 24.242 33.496 -1.434 1.00 70.76 N +ANISOU 20 NH2 ARG A 2 8767 8071 10049 207 -341 -457 N +ATOM 21 N ASP A 3 21.512 33.465 -8.376 1.00 38.12 N +ANISOU 21 N ASP A 3 4726 4109 5648 132 -208 214 N +ATOM 22 CA ASP A 3 20.895 32.582 -9.352 1.00 30.99 C +ANISOU 22 CA ASP A 3 3847 3310 4618 133 -236 282 C +ATOM 23 C ASP A 3 20.354 31.325 -8.676 1.00 29.06 C +ANISOU 23 C ASP A 3 3578 3146 4318 170 -293 209 C +ATOM 24 O ASP A 3 21.115 30.531 -8.121 1.00 30.96 O +ANISOU 24 O ASP A 3 3797 3418 4547 157 -287 104 O +ATOM 25 CB ASP A 3 21.924 32.198 -10.413 1.00 43.03 C +ANISOU 25 CB ASP A 3 5392 4885 6072 62 -178 293 C +ATOM 26 CG ASP A 3 21.290 31.664 -11.677 1.00 39.60 C +ANISOU 26 CG ASP A 3 5014 4533 5500 56 -203 385 C +ATOM 27 OD1 ASP A 3 20.094 31.290 -11.642 1.00 30.58 O +ANISOU 27 OD1 ASP A 3 3877 3426 4316 100 -282 421 O +ATOM 28 OD2 ASP A 3 22.002 31.615 -12.704 1.00 32.62 O +ANISOU 28 OD2 ASP A 3 4167 3681 4547 5 -142 421 O +ATOM 29 N CYS A 4 19.035 31.144 -8.730 1.00 26.93 N +ANISOU 29 N CYS A 4 3307 2907 4018 216 -350 272 N +ATOM 30 CA CYS A 4 18.411 29.972 -8.117 1.00 27.69 C +ANISOU 30 CA CYS A 4 3379 3073 4068 240 -400 221 C +ATOM 31 C CYS A 4 17.828 29.033 -9.167 1.00 26.48 C +ANISOU 31 C CYS A 4 3250 3009 3802 212 -453 278 C +ATOM 32 O CYS A 4 17.075 28.111 -8.850 1.00 23.38 O +ANISOU 32 O CYS A 4 2839 2671 3375 222 -506 264 O +ATOM 33 CB CYS A 4 17.321 30.393 -7.133 1.00 27.35 C +ANISOU 33 CB CYS A 4 3296 3001 4093 311 -421 232 C +ATOM 34 SG CYS A 4 17.955 31.221 -5.657 1.00 28.86 S +ANISOU 34 SG CYS A 4 3479 3095 4391 349 -374 127 S +ATOM 35 N ARG A 5 18.195 29.257 -10.424 1.00 25.07 N +ANISOU 35 N ARG A 5 3121 2845 3560 172 -437 340 N +ATOM 36 CA ARG A 5 17.859 28.309 -11.474 1.00 23.87 C +ANISOU 36 CA ARG A 5 3014 2776 3279 138 -487 371 C +ATOM 37 C ARG A 5 18.596 26.989 -11.266 1.00 23.25 C +ANISOU 37 C ARG A 5 2950 2742 3142 112 -478 256 C +ATOM 38 O ARG A 5 19.809 26.957 -11.084 1.00 26.21 O +ANISOU 38 O ARG A 5 3324 3099 3535 100 -408 183 O +ATOM 39 CB ARG A 5 18.180 28.883 -12.857 1.00 24.22 C +ANISOU 39 CB ARG A 5 3125 2826 3249 104 -461 461 C +ATOM 40 CG ARG A 5 17.268 30.029 -13.279 1.00 24.61 C +ANISOU 40 CG ARG A 5 3177 2838 3334 134 -497 598 C +ATOM 41 CD ARG A 5 17.757 30.720 -14.548 1.00 28.01 C +ANISOU 41 CD ARG A 5 3687 3260 3695 100 -454 695 C +ATOM 42 NE ARG A 5 19.033 31.404 -14.338 1.00 29.61 N +ANISOU 42 NE ARG A 5 3890 3394 3967 71 -339 661 N +ATOM 43 CZ ARG A 5 19.596 32.224 -15.215 1.00 39.99 C +ANISOU 43 CZ ARG A 5 5260 4674 5258 35 -273 748 C +ATOM 44 NH1 ARG A 5 19.000 32.474 -16.373 1.00 38.64 N +ANISOU 44 NH1 ARG A 5 5165 4534 4982 33 -314 877 N +ATOM 45 NH2 ARG A 5 20.753 32.800 -14.934 1.00 46.24 N +ANISOU 45 NH2 ARG A 5 6033 5402 6133 -3 -170 712 N +ATOM 46 N VAL A 6 17.847 25.894 -11.303 1.00 23.19 N +ANISOU 46 N VAL A 6 2951 2788 3072 105 -552 242 N +ATOM 47 CA VAL A 6 18.419 24.571 -11.079 1.00 26.89 C +ANISOU 47 CA VAL A 6 3444 3284 3490 89 -554 137 C +ATOM 48 C VAL A 6 19.516 24.262 -12.094 1.00 24.66 C +ANISOU 48 C VAL A 6 3227 3024 3119 60 -497 102 C +ATOM 49 O VAL A 6 20.499 23.593 -11.778 1.00 28.37 O +ANISOU 49 O VAL A 6 3699 3492 3589 66 -455 5 O +ATOM 50 CB VAL A 6 17.320 23.501 -11.141 1.00 26.15 C +ANISOU 50 CB VAL A 6 3362 3233 3343 70 -651 146 C +ATOM 51 CG1 VAL A 6 17.907 22.099 -11.115 1.00 30.37 C +ANISOU 51 CG1 VAL A 6 3946 3779 3814 51 -658 45 C +ATOM 52 CG2 VAL A 6 16.342 23.700 -9.997 1.00 25.57 C +ANISOU 52 CG2 VAL A 6 3208 3144 3363 101 -681 172 C +ATOM 53 N SER A 7 19.351 24.772 -13.309 1.00 28.00 N +ANISOU 53 N SER A 7 3703 3471 3466 37 -494 186 N +ATOM 54 CA SER A 7 20.320 24.548 -14.378 1.00 26.36 C +ANISOU 54 CA SER A 7 3566 3294 3156 11 -423 165 C +ATOM 55 C SER A 7 21.655 25.241 -14.095 1.00 26.69 C +ANISOU 55 C SER A 7 3562 3300 3277 13 -302 132 C +ATOM 56 O SER A 7 22.657 24.956 -14.752 1.00 32.42 O +ANISOU 56 O SER A 7 4319 4053 3944 -1 -219 94 O +ATOM 57 CB SER A 7 19.756 25.066 -15.700 1.00 27.14 C +ANISOU 57 CB SER A 7 3740 3427 3145 -14 -449 280 C +ATOM 58 OG SER A 7 19.394 26.437 -15.598 1.00 27.10 O +ANISOU 58 OG SER A 7 3697 3376 3223 -2 -441 388 O +ATOM 59 N SER A 8 21.660 26.153 -13.128 1.00 26.22 N +ANISOU 59 N SER A 8 3429 3179 3356 30 -292 145 N +ATOM 60 CA SER A 8 22.871 26.890 -12.772 1.00 29.25 C +ANISOU 60 CA SER A 8 3759 3518 3836 19 -196 113 C +ATOM 61 C SER A 8 23.699 26.193 -11.697 1.00 27.73 C +ANISOU 61 C SER A 8 3505 3320 3711 42 -187 -17 C +ATOM 62 O SER A 8 24.860 26.546 -11.489 1.00 30.65 O +ANISOU 62 O SER A 8 3822 3671 4152 28 -114 -62 O +ATOM 63 CB SER A 8 22.513 28.300 -12.301 1.00 29.62 C +ANISOU 63 CB SER A 8 3772 3486 3997 23 -195 185 C +ATOM 64 OG SER A 8 22.026 28.292 -10.969 1.00 28.93 O +ANISOU 64 OG SER A 8 3632 3361 3998 64 -250 134 O +ATOM 65 N PHE A 9 23.108 25.219 -11.009 1.00 26.03 N +ANISOU 65 N PHE A 9 3293 3119 3478 73 -264 -70 N +ATOM 66 CA PHE A 9 23.727 24.653 -9.813 1.00 26.62 C +ANISOU 66 CA PHE A 9 3316 3177 3620 104 -275 -177 C +ATOM 67 C PHE A 9 24.946 23.810 -10.179 1.00 28.24 C +ANISOU 67 C PHE A 9 3519 3417 3795 109 -222 -260 C +ATOM 68 O PHE A 9 24.865 22.908 -11.015 1.00 29.88 O +ANISOU 68 O PHE A 9 3790 3667 3897 108 -221 -270 O +ATOM 69 CB PHE A 9 22.728 23.799 -9.025 1.00 26.62 C +ANISOU 69 CB PHE A 9 3331 3181 3600 133 -364 -196 C +ATOM 70 CG PHE A 9 21.611 24.586 -8.393 1.00 23.91 C +ANISOU 70 CG PHE A 9 2966 2807 3310 146 -404 -132 C +ATOM 71 CD1 PHE A 9 21.740 25.949 -8.164 1.00 26.31 C +ANISOU 71 CD1 PHE A 9 3237 3060 3699 148 -368 -96 C +ATOM 72 CD2 PHE A 9 20.434 23.961 -8.024 1.00 24.97 C +ANISOU 72 CD2 PHE A 9 3112 2960 3417 158 -473 -109 C +ATOM 73 CE1 PHE A 9 20.713 26.673 -7.585 1.00 24.88 C +ANISOU 73 CE1 PHE A 9 3039 2846 3569 176 -396 -45 C +ATOM 74 CE2 PHE A 9 19.403 24.677 -7.442 1.00 23.94 C +ANISOU 74 CE2 PHE A 9 2947 2808 3340 181 -495 -51 C +ATOM 75 CZ PHE A 9 19.542 26.035 -7.219 1.00 22.50 C +ANISOU 75 CZ PHE A 9 2737 2574 3237 197 -455 -22 C +ATOM 76 N ARG A 10 26.074 24.101 -9.541 1.00 27.99 N +ANISOU 76 N ARG A 10 3410 3365 3860 117 -181 -323 N +ATOM 77 CA ARG A 10 27.259 23.257 -9.651 1.00 30.35 C +ANISOU 77 CA ARG A 10 3678 3696 4158 139 -137 -411 C +ATOM 78 C ARG A 10 27.105 21.958 -8.866 1.00 29.15 C +ANISOU 78 C ARG A 10 3547 3545 3985 194 -214 -488 C +ATOM 79 O ARG A 10 26.457 21.920 -7.816 1.00 27.52 O +ANISOU 79 O ARG A 10 3341 3308 3807 212 -290 -491 O +ATOM 80 CB ARG A 10 28.490 24.014 -9.150 1.00 33.30 C +ANISOU 80 CB ARG A 10 3942 4049 4660 126 -85 -450 C +ATOM 81 CG ARG A 10 28.813 25.264 -9.953 1.00 35.92 C +ANISOU 81 CG ARG A 10 4252 4371 5027 61 5 -373 C +ATOM 82 CD ARG A 10 30.160 25.848 -9.555 1.00 58.53 C +ANISOU 82 CD ARG A 10 6995 7220 8025 35 60 -420 C +ATOM 83 NE ARG A 10 30.126 26.458 -8.229 1.00 53.25 N +ANISOU 83 NE ARG A 10 6277 6486 7467 35 -19 -458 N +ATOM 84 CZ ARG A 10 30.481 25.833 -7.110 1.00 76.79 C +ANISOU 84 CZ ARG A 10 9217 9469 10491 84 -95 -552 C +ATOM 85 NH1 ARG A 10 30.894 24.573 -7.154 1.00 94.94 N +ANISOU 85 NH1 ARG A 10 11511 11820 12743 139 -103 -613 N +ATOM 86 NH2 ARG A 10 30.422 26.467 -5.947 1.00 60.76 N +ANISOU 86 NH2 ARG A 10 7161 7382 8542 82 -165 -586 N +ATOM 87 N VAL A 11 27.715 20.896 -9.381 1.00 29.39 N +ANISOU 87 N VAL A 11 3600 3605 3961 225 -186 -547 N +ATOM 88 CA VAL A 11 27.754 19.612 -8.689 1.00 27.70 C +ANISOU 88 CA VAL A 11 3411 3378 3735 281 -252 -621 C +ATOM 89 C VAL A 11 29.183 19.076 -8.652 1.00 28.46 C +ANISOU 89 C VAL A 11 3443 3491 3881 334 -202 -710 C +ATOM 90 O VAL A 11 30.102 19.693 -9.203 1.00 30.32 O +ANISOU 90 O VAL A 11 3606 3755 4157 318 -108 -712 O +ATOM 91 CB VAL A 11 26.848 18.578 -9.382 1.00 26.96 C +ANISOU 91 CB VAL A 11 3436 3290 3519 278 -292 -611 C +ATOM 92 CG1 VAL A 11 25.388 18.998 -9.276 1.00 28.71 C +ANISOU 92 CG1 VAL A 11 3697 3501 3711 232 -358 -525 C +ATOM 93 CG2 VAL A 11 27.250 18.415 -10.839 1.00 30.72 C +ANISOU 93 CG2 VAL A 11 3961 3807 3904 267 -208 -615 C +ATOM 94 N LYS A 12 29.365 17.931 -8.000 1.00 29.74 N +ANISOU 94 N LYS A 12 3626 3632 4044 398 -262 -776 N +ATOM 95 CA LYS A 12 30.698 17.439 -7.661 1.00 28.55 C +ANISOU 95 CA LYS A 12 3393 3488 3966 466 -240 -859 C +ATOM 96 C LYS A 12 31.466 17.033 -8.920 1.00 30.92 C +ANISOU 96 C LYS A 12 3694 3830 4224 489 -128 -894 C +ATOM 97 O LYS A 12 31.037 16.154 -9.668 1.00 30.31 O +ANISOU 97 O LYS A 12 3728 3747 4040 506 -121 -909 O +ATOM 98 CB LYS A 12 30.597 16.249 -6.704 1.00 28.13 C +ANISOU 98 CB LYS A 12 3384 3392 3912 537 -339 -908 C +ATOM 99 CG LYS A 12 31.932 15.607 -6.358 1.00 30.01 C +ANISOU 99 CG LYS A 12 3543 3635 4224 626 -333 -991 C +ATOM 100 CD LYS A 12 32.854 16.558 -5.608 1.00 29.87 C +ANISOU 100 CD LYS A 12 3376 3640 4333 622 -339 -1007 C +ATOM 101 CE LYS A 12 34.164 15.872 -5.248 1.00 32.32 C +ANISOU 101 CE LYS A 12 3591 3962 4728 718 -349 -1086 C +ATOM 102 NZ LYS A 12 35.068 16.719 -4.426 1.00 38.04 N +ANISOU 102 NZ LYS A 12 4164 4709 5582 710 -382 -1108 N +ATOM 103 N GLU A 13 32.601 17.685 -9.149 1.00 37.28 N +ANISOU 103 N GLU A 13 4376 4675 5114 487 -38 -910 N +ATOM 104 CA GLU A 13 33.450 17.372 -10.291 1.00 35.62 C +ANISOU 104 CA GLU A 13 4147 4515 4872 515 94 -944 C +ATOM 105 C GLU A 13 34.003 15.954 -10.186 1.00 31.17 C +ANISOU 105 C GLU A 13 3603 3938 4302 627 80 -1040 C +ATOM 106 O GLU A 13 34.509 15.553 -9.140 1.00 39.95 O +ANISOU 106 O GLU A 13 4645 5025 5508 689 4 -1087 O +ATOM 107 CB GLU A 13 34.603 18.373 -10.378 1.00 43.16 C +ANISOU 107 CB GLU A 13 4936 5514 5948 485 192 -937 C +ATOM 108 CG GLU A 13 35.240 18.470 -11.753 1.00 59.04 C +ANISOU 108 CG GLU A 13 6936 7588 7907 477 363 -931 C +ATOM 109 CD GLU A 13 36.408 19.434 -11.780 1.00 69.48 C +ANISOU 109 CD GLU A 13 8077 8953 9369 436 466 -917 C +ATOM 110 OE1 GLU A 13 37.197 19.441 -10.812 1.00 84.67 O +ANISOU 110 OE1 GLU A 13 9859 10872 11440 466 413 -968 O +ATOM 111 OE2 GLU A 13 36.537 20.188 -12.768 1.00 87.75 O +ANISOU 111 OE2 GLU A 13 10391 11305 11646 368 595 -851 O +ATOM 112 N ASN A 14 33.900 15.197 -11.274 1.00 37.52 N +ANISOU 112 N ASN A 14 4514 4753 4988 657 148 -1069 N +ATOM 113 CA ASN A 14 34.538 13.890 -11.359 1.00 39.75 C +ANISOU 113 CA ASN A 14 4820 5017 5265 773 161 -1167 C +ATOM 114 C ASN A 14 34.084 12.963 -10.239 1.00 36.74 C +ANISOU 114 C ASN A 14 4496 4554 4908 824 8 -1195 C +ATOM 115 O ASN A 14 34.886 12.230 -9.666 1.00 41.67 O +ANISOU 115 O ASN A 14 5064 5156 5612 926 -17 -1260 O +ATOM 116 CB ASN A 14 36.059 14.039 -11.317 1.00 46.34 C +ANISOU 116 CB ASN A 14 5474 5905 6228 840 261 -1218 C +ATOM 117 CG ASN A 14 36.599 14.839 -12.485 1.00 52.01 C +ANISOU 117 CG ASN A 14 6138 6705 6921 792 438 -1189 C +ATOM 118 OD1 ASN A 14 36.098 14.740 -13.606 1.00 60.42 O +ANISOU 118 OD1 ASN A 14 7334 7787 7835 764 511 -1173 O +ATOM 119 ND2 ASN A 14 37.625 15.639 -12.228 1.00 55.05 N +ANISOU 119 ND2 ASN A 14 6329 7140 7448 776 505 -1179 N +ATOM 120 N PHE A 15 32.794 13.004 -9.923 1.00 35.61 N +ANISOU 120 N PHE A 15 4461 4370 4701 755 -92 -1137 N +ATOM 121 CA PHE A 15 32.277 12.264 -8.782 1.00 35.76 C +ANISOU 121 CA PHE A 15 4531 4315 4742 784 -229 -1141 C +ATOM 122 C PHE A 15 32.655 10.786 -8.870 1.00 35.66 C +ANISOU 122 C PHE A 15 4598 4241 4711 890 -247 -1224 C +ATOM 123 O PHE A 15 32.535 10.168 -9.928 1.00 42.04 O +ANISOU 123 O PHE A 15 5511 5038 5425 903 -191 -1265 O +ATOM 124 CB PHE A 15 30.758 12.400 -8.695 1.00 31.42 C +ANISOU 124 CB PHE A 15 4092 3736 4112 691 -308 -1066 C +ATOM 125 CG PHE A 15 30.134 11.493 -7.675 1.00 34.46 C +ANISOU 125 CG PHE A 15 4550 4042 4499 713 -430 -1063 C +ATOM 126 CD1 PHE A 15 30.332 11.712 -6.319 1.00 30.68 C +ANISOU 126 CD1 PHE A 15 4002 3550 4106 738 -500 -1048 C +ATOM 127 CD2 PHE A 15 29.367 10.410 -8.072 1.00 32.48 C +ANISOU 127 CD2 PHE A 15 4447 3729 4164 703 -475 -1075 C +ATOM 128 CE1 PHE A 15 29.759 10.876 -5.380 1.00 31.84 C +ANISOU 128 CE1 PHE A 15 4228 3627 4244 756 -601 -1033 C +ATOM 129 CE2 PHE A 15 28.795 9.567 -7.138 1.00 32.80 C +ANISOU 129 CE2 PHE A 15 4558 3692 4213 713 -578 -1061 C +ATOM 130 CZ PHE A 15 28.988 9.803 -5.790 1.00 30.62 C +ANISOU 130 CZ PHE A 15 4213 3408 4014 741 -635 -1034 C +ATOM 131 N ASP A 16 33.101 10.231 -7.747 1.00 35.50 N +ANISOU 131 N ASP A 16 4538 4174 4775 968 -329 -1249 N +ATOM 132 CA ASP A 16 33.650 8.883 -7.693 1.00 33.90 C +ANISOU 132 CA ASP A 16 4392 3903 4584 1090 -349 -1326 C +ATOM 133 C ASP A 16 32.749 7.968 -6.867 1.00 38.86 C +ANISOU 133 C ASP A 16 5155 4429 5182 1087 -482 -1299 C +ATOM 134 O ASP A 16 32.712 8.060 -5.638 1.00 35.03 O +ANISOU 134 O ASP A 16 4631 3925 4753 1098 -574 -1262 O +ATOM 135 CB ASP A 16 35.043 8.927 -7.068 1.00 45.82 C +ANISOU 135 CB ASP A 16 5736 5443 6229 1199 -341 -1371 C +ATOM 136 CG ASP A 16 35.783 7.610 -7.179 1.00 44.86 C +ANISOU 136 CG ASP A 16 5651 5258 6134 1347 -338 -1455 C +ATOM 137 OD1 ASP A 16 35.160 6.537 -7.023 1.00 44.39 O +ANISOU 137 OD1 ASP A 16 5752 5095 6019 1373 -412 -1464 O +ATOM 138 OD2 ASP A 16 37.002 7.653 -7.415 1.00 44.87 O +ANISOU 138 OD2 ASP A 16 5515 5312 6223 1439 -260 -1511 O +ATOM 139 N LYS A 17 32.021 7.085 -7.544 1.00 36.82 N +ANISOU 139 N LYS A 17 5060 4102 4829 1068 -491 -1318 N +ATOM 140 CA LYS A 17 31.045 6.233 -6.874 1.00 34.37 C +ANISOU 140 CA LYS A 17 4883 3689 4489 1038 -608 -1282 C +ATOM 141 C LYS A 17 31.699 5.358 -5.808 1.00 38.51 C +ANISOU 141 C LYS A 17 5406 4134 5092 1156 -683 -1303 C +ATOM 142 O LYS A 17 31.137 5.146 -4.737 1.00 39.20 O +ANISOU 142 O LYS A 17 5532 4174 5190 1133 -780 -1240 O +ATOM 143 CB LYS A 17 30.322 5.348 -7.887 1.00 36.27 C +ANISOU 143 CB LYS A 17 5295 3859 4626 1000 -607 -1317 C +ATOM 144 CG LYS A 17 29.511 6.094 -8.930 1.00 35.11 C +ANISOU 144 CG LYS A 17 5175 3781 4382 880 -563 -1286 C +ATOM 145 CD LYS A 17 28.966 5.122 -9.967 1.00 38.03 C +ANISOU 145 CD LYS A 17 5722 4080 4647 855 -574 -1344 C +ATOM 146 CE LYS A 17 28.328 5.835 -11.142 1.00 44.35 C +ANISOU 146 CE LYS A 17 6554 4960 5338 754 -531 -1322 C +ATOM 147 NZ LYS A 17 28.149 4.935 -12.312 1.00 51.44 N +ANISOU 147 NZ LYS A 17 7621 5804 6121 755 -522 -1410 N +ATOM 148 N ALA A 18 32.879 4.834 -6.115 1.00 40.29 N +ANISOU 148 N ALA A 18 5591 4349 5370 1289 -634 -1388 N +ATOM 149 CA ALA A 18 33.554 3.907 -5.216 1.00 40.10 C +ANISOU 149 CA ALA A 18 5573 4241 5421 1422 -710 -1410 C +ATOM 150 C ALA A 18 33.935 4.600 -3.915 1.00 38.55 C +ANISOU 150 C ALA A 18 5245 4099 5304 1435 -782 -1355 C +ATOM 151 O ALA A 18 33.733 4.060 -2.827 1.00 40.58 O +ANISOU 151 O ALA A 18 5559 4285 5575 1466 -893 -1311 O +ATOM 152 CB ALA A 18 34.790 3.330 -5.887 1.00 49.16 C +ANISOU 152 CB ALA A 18 6676 5381 6620 1572 -630 -1516 C +ATOM 153 N ARG A 19 34.496 5.797 -4.031 1.00 37.78 N +ANISOU 153 N ARG A 19 4981 4122 5254 1408 -722 -1356 N +ATOM 154 CA ARG A 19 34.905 6.553 -2.857 1.00 36.96 C +ANISOU 154 CA ARG A 19 4750 4072 5222 1412 -793 -1319 C +ATOM 155 C ARG A 19 33.699 6.945 -2.007 1.00 34.03 C +ANISOU 155 C ARG A 19 4457 3686 4787 1302 -872 -1229 C +ATOM 156 O ARG A 19 33.838 7.227 -0.820 1.00 35.91 O +ANISOU 156 O ARG A 19 4656 3934 5055 1318 -960 -1196 O +ATOM 157 CB ARG A 19 35.676 7.804 -3.273 1.00 40.21 C +ANISOU 157 CB ARG A 19 4973 4604 5699 1381 -705 -1340 C +ATOM 158 CG ARG A 19 37.054 7.509 -3.836 1.00 46.60 C +ANISOU 158 CG ARG A 19 5657 5449 6601 1502 -630 -1421 C +ATOM 159 CD ARG A 19 37.809 8.792 -4.128 1.00 46.73 C +ANISOU 159 CD ARG A 19 5474 5583 6697 1453 -546 -1428 C +ATOM 160 NE ARG A 19 38.196 9.492 -2.906 1.00 43.92 N +ANISOU 160 NE ARG A 19 5000 5262 6427 1441 -654 -1403 N +ATOM 161 CZ ARG A 19 38.727 10.707 -2.888 1.00 41.58 C +ANISOU 161 CZ ARG A 19 4539 5051 6208 1374 -617 -1399 C +ATOM 162 NH1 ARG A 19 38.924 11.356 -4.027 1.00 47.50 N +ANISOU 162 NH1 ARG A 19 5225 5861 6962 1313 -467 -1404 N +ATOM 163 NH2 ARG A 19 39.058 11.277 -1.737 1.00 50.69 N +ANISOU 163 NH2 ARG A 19 5604 6225 7432 1364 -733 -1388 N +ATOM 164 N PHE A 20 32.520 6.957 -2.620 1.00 31.15 N +ANISOU 164 N PHE A 20 4202 3301 4333 1195 -839 -1192 N +ATOM 165 CA PHE A 20 31.324 7.451 -1.957 1.00 30.88 C +ANISOU 165 CA PHE A 20 4219 3269 4246 1086 -887 -1105 C +ATOM 166 C PHE A 20 30.612 6.318 -1.226 1.00 32.12 C +ANISOU 166 C PHE A 20 4523 3318 4361 1095 -976 -1060 C +ATOM 167 O PHE A 20 29.703 6.553 -0.429 1.00 31.02 O +ANISOU 167 O PHE A 20 4425 3175 4184 1026 -1020 -984 O +ATOM 168 CB PHE A 20 30.380 8.094 -2.977 1.00 32.73 C +ANISOU 168 CB PHE A 20 4476 3543 4415 964 -815 -1077 C +ATOM 169 CG PHE A 20 29.307 8.942 -2.355 1.00 29.22 C +ANISOU 169 CG PHE A 20 4030 3131 3943 863 -842 -992 C +ATOM 170 CD1 PHE A 20 29.611 10.179 -1.810 1.00 31.50 C +ANISOU 170 CD1 PHE A 20 4202 3491 4276 846 -833 -978 C +ATOM 171 CD2 PHE A 20 27.993 8.499 -2.307 1.00 30.60 C +ANISOU 171 CD2 PHE A 20 4315 3259 4052 784 -874 -930 C +ATOM 172 CE1 PHE A 20 28.624 10.960 -1.239 1.00 28.21 C +ANISOU 172 CE1 PHE A 20 3789 3096 3833 768 -848 -909 C +ATOM 173 CE2 PHE A 20 27.004 9.272 -1.732 1.00 28.00 C +ANISOU 173 CE2 PHE A 20 3971 2964 3704 703 -886 -853 C +ATOM 174 CZ PHE A 20 27.318 10.505 -1.199 1.00 28.43 C +ANISOU 174 CZ PHE A 20 3918 3087 3797 702 -869 -845 C +ATOM 175 N SER A 21 31.030 5.084 -1.497 1.00 34.51 N +ANISOU 175 N SER A 21 4909 3530 4674 1183 -994 -1106 N +ATOM 176 CA SER A 21 30.322 3.922 -0.979 1.00 32.17 C +ANISOU 176 CA SER A 21 4772 3110 4340 1179 -1069 -1061 C +ATOM 177 C SER A 21 30.411 3.867 0.543 1.00 34.71 C +ANISOU 177 C SER A 21 5096 3417 4675 1221 -1162 -997 C +ATOM 178 O SER A 21 31.282 4.487 1.148 1.00 34.71 O +ANISOU 178 O SER A 21 4979 3486 4724 1286 -1185 -1014 O +ATOM 179 CB SER A 21 30.881 2.637 -1.587 1.00 36.39 C +ANISOU 179 CB SER A 21 5398 3535 4893 1281 -1070 -1134 C +ATOM 180 OG SER A 21 32.174 2.364 -1.086 1.00 45.18 O +ANISOU 180 OG SER A 21 6438 4643 6085 1436 -1100 -1178 O +ATOM 181 N GLY A 22 29.493 3.129 1.158 1.00 33.65 N +ANISOU 181 N GLY A 22 5098 3194 4494 1175 -1217 -920 N +ATOM 182 CA GLY A 22 29.517 2.926 2.598 1.00 35.98 C +ANISOU 182 CA GLY A 22 5429 3464 4778 1216 -1302 -850 C +ATOM 183 C GLY A 22 28.427 3.691 3.316 1.00 38.74 C +ANISOU 183 C GLY A 22 5780 3872 5066 1100 -1295 -760 C +ATOM 184 O GLY A 22 27.424 4.090 2.713 1.00 29.83 O +ANISOU 184 O GLY A 22 4652 2772 3908 980 -1237 -735 O +ATOM 185 N THR A 23 28.623 3.893 4.614 1.00 32.07 N +ANISOU 185 N THR A 23 4937 3049 4200 1144 -1356 -713 N +ATOM 186 CA THR A 23 27.573 4.417 5.475 1.00 28.05 C +ANISOU 186 CA THR A 23 4459 2579 3620 1054 -1347 -623 C +ATOM 187 C THR A 23 27.610 5.938 5.532 1.00 30.03 C +ANISOU 187 C THR A 23 4576 2958 3874 1018 -1304 -652 C +ATOM 188 O THR A 23 28.655 6.535 5.788 1.00 31.83 O +ANISOU 188 O THR A 23 4711 3243 4141 1091 -1336 -712 O +ATOM 189 CB THR A 23 27.689 3.857 6.901 1.00 32.92 C +ANISOU 189 CB THR A 23 5172 3151 4185 1118 -1431 -553 C +ATOM 190 OG1 THR A 23 27.870 2.435 6.844 1.00 33.97 O +ANISOU 190 OG1 THR A 23 5429 3148 4332 1173 -1480 -532 O +ATOM 191 CG2 THR A 23 26.436 4.178 7.704 1.00 35.48 C +ANISOU 191 CG2 THR A 23 5554 3502 4425 1019 -1396 -451 C +ATOM 192 N TRP A 24 26.454 6.550 5.292 1.00 28.23 N +ANISOU 192 N TRP A 24 4340 2771 3614 903 -1237 -605 N +ATOM 193 CA TRP A 24 26.278 7.992 5.441 1.00 27.77 C +ANISOU 193 CA TRP A 24 4180 2817 3556 863 -1193 -617 C +ATOM 194 C TRP A 24 25.114 8.295 6.373 1.00 30.22 C +ANISOU 194 C TRP A 24 4540 3148 3794 802 -1170 -529 C +ATOM 195 O TRP A 24 24.002 7.796 6.176 1.00 30.79 O +ANISOU 195 O TRP A 24 4670 3187 3841 723 -1136 -457 O +ATOM 196 CB TRP A 24 25.991 8.632 4.091 1.00 27.72 C +ANISOU 196 CB TRP A 24 4094 2851 3588 793 -1118 -649 C +ATOM 197 CG TRP A 24 27.171 8.755 3.179 1.00 25.81 C +ANISOU 197 CG TRP A 24 3772 2624 3411 847 -1108 -741 C +ATOM 198 CD1 TRP A 24 27.464 7.959 2.115 1.00 30.33 C +ANISOU 198 CD1 TRP A 24 4371 3149 4003 863 -1091 -781 C +ATOM 199 CD2 TRP A 24 28.200 9.753 3.229 1.00 26.02 C +ANISOU 199 CD2 TRP A 24 3677 2719 3493 889 -1104 -805 C +ATOM 200 NE1 TRP A 24 28.613 8.394 1.500 1.00 25.82 N +ANISOU 200 NE1 TRP A 24 3697 2621 3492 918 -1064 -862 N +ATOM 201 CE2 TRP A 24 29.082 9.496 2.164 1.00 27.64 C +ANISOU 201 CE2 TRP A 24 3828 2922 3753 928 -1073 -873 C +ATOM 202 CE3 TRP A 24 28.462 10.837 4.072 1.00 28.88 C +ANISOU 202 CE3 TRP A 24 3971 3138 3863 893 -1123 -814 C +ATOM 203 CZ2 TRP A 24 30.209 10.278 1.922 1.00 27.45 C +ANISOU 203 CZ2 TRP A 24 3670 2957 3802 965 -1054 -939 C +ATOM 204 CZ3 TRP A 24 29.581 11.612 3.827 1.00 28.37 C +ANISOU 204 CZ3 TRP A 24 3783 3123 3875 923 -1120 -886 C +ATOM 205 CH2 TRP A 24 30.435 11.334 2.759 1.00 28.64 C +ANISOU 205 CH2 TRP A 24 3749 3159 3972 954 -1082 -942 C +ATOM 206 N TYR A 25 25.372 9.112 7.388 1.00 27.42 N +ANISOU 206 N TYR A 25 4161 2848 3407 838 -1189 -537 N +ATOM 207 CA TYR A 25 24.342 9.518 8.335 1.00 29.05 C +ANISOU 207 CA TYR A 25 4413 3086 3537 797 -1152 -465 C +ATOM 208 C TYR A 25 23.783 10.879 7.951 1.00 24.42 C +ANISOU 208 C TYR A 25 3731 2573 2974 739 -1075 -482 C +ATOM 209 O TYR A 25 24.532 11.841 7.783 1.00 27.82 O +ANISOU 209 O TYR A 25 4078 3045 3448 765 -1084 -558 O +ATOM 210 CB TYR A 25 24.917 9.575 9.754 1.00 31.95 C +ANISOU 210 CB TYR A 25 4840 3466 3834 878 -1221 -468 C +ATOM 211 CG TYR A 25 25.436 8.244 10.238 1.00 31.31 C +ANISOU 211 CG TYR A 25 4865 3308 3724 945 -1305 -435 C +ATOM 212 CD1 TYR A 25 26.751 7.864 10.002 1.00 32.98 C +ANISOU 212 CD1 TYR A 25 5043 3493 3994 1036 -1392 -505 C +ATOM 213 CD2 TYR A 25 24.610 7.361 10.920 1.00 31.79 C +ANISOU 213 CD2 TYR A 25 5054 3318 3706 921 -1294 -327 C +ATOM 214 CE1 TYR A 25 27.230 6.646 10.435 1.00 40.49 C +ANISOU 214 CE1 TYR A 25 6092 4364 4927 1112 -1474 -472 C +ATOM 215 CE2 TYR A 25 25.083 6.138 11.358 1.00 36.17 C +ANISOU 215 CE2 TYR A 25 5719 3786 4237 985 -1374 -287 C +ATOM 216 CZ TYR A 25 26.393 5.790 11.112 1.00 43.08 C +ANISOU 216 CZ TYR A 25 6564 4631 5172 1086 -1468 -362 C +ATOM 217 OH TYR A 25 26.867 4.577 11.545 1.00 56.33 O +ANISOU 217 OH TYR A 25 8353 6216 6836 1164 -1552 -319 O +ATOM 218 N ALA A 26 22.462 10.957 7.810 1.00 24.45 N +ANISOU 218 N ALA A 26 3743 2589 2959 660 -1002 -407 N +ATOM 219 CA ALA A 26 21.809 12.220 7.516 1.00 24.05 C +ANISOU 219 CA ALA A 26 3607 2600 2931 617 -930 -409 C +ATOM 220 C ALA A 26 21.777 13.098 8.759 1.00 26.20 C +ANISOU 220 C ALA A 26 3895 2915 3146 660 -917 -421 C +ATOM 221 O ALA A 26 21.203 12.728 9.783 1.00 28.03 O +ANISOU 221 O ALA A 26 4206 3148 3296 669 -900 -361 O +ATOM 222 CB ALA A 26 20.397 11.986 6.999 1.00 27.64 C +ANISOU 222 CB ALA A 26 4052 3058 3392 527 -865 -322 C +ATOM 223 N MET A 27 22.397 14.266 8.661 1.00 25.98 N +ANISOU 223 N MET A 27 3797 2918 3157 685 -921 -499 N +ATOM 224 CA MET A 27 22.479 15.177 9.792 1.00 26.65 C +ANISOU 224 CA MET A 27 3904 3034 3188 728 -921 -535 C +ATOM 225 C MET A 27 21.441 16.290 9.679 1.00 23.78 C +ANISOU 225 C MET A 27 3493 2703 2839 694 -824 -515 C +ATOM 226 O MET A 27 21.007 16.859 10.677 1.00 25.83 O +ANISOU 226 O MET A 27 3796 2985 3033 723 -789 -516 O +ATOM 227 CB MET A 27 23.886 15.769 9.886 1.00 28.10 C +ANISOU 227 CB MET A 27 4045 3218 3413 774 -1002 -642 C +ATOM 228 CG MET A 27 24.996 14.736 10.024 1.00 31.82 C +ANISOU 228 CG MET A 27 4543 3661 3884 826 -1104 -667 C +ATOM 229 SD MET A 27 24.722 13.489 11.306 1.00 43.73 S +ANISOU 229 SD MET A 27 6206 5147 5263 876 -1152 -594 S +ATOM 230 CE MET A 27 24.495 14.538 12.720 1.00 34.02 C +ANISOU 230 CE MET A 27 5036 3964 3927 908 -1150 -624 C +ATOM 231 N ALA A 28 21.044 16.597 8.452 1.00 23.35 N +ANISOU 231 N ALA A 28 3356 2651 2867 640 -781 -496 N +ATOM 232 CA ALA A 28 20.045 17.631 8.214 1.00 22.37 C +ANISOU 232 CA ALA A 28 3175 2551 2771 615 -697 -467 C +ATOM 233 C ALA A 28 19.352 17.382 6.890 1.00 22.93 C +ANISOU 233 C ALA A 28 3183 2626 2905 547 -667 -406 C +ATOM 234 O ALA A 28 19.910 16.747 5.999 1.00 22.90 O +ANISOU 234 O ALA A 28 3170 2602 2931 522 -711 -418 O +ATOM 235 CB ALA A 28 20.685 19.008 8.211 1.00 23.52 C +ANISOU 235 CB ALA A 28 3277 2693 2964 641 -701 -551 C +ATOM 236 N LYS A 29 18.141 17.910 6.758 1.00 21.66 N +ANISOU 236 N LYS A 29 2977 2493 2761 524 -595 -343 N +ATOM 237 CA LYS A 29 17.385 17.757 5.529 1.00 24.37 C +ANISOU 237 CA LYS A 29 3256 2846 3159 459 -581 -281 C +ATOM 238 C LYS A 29 16.506 18.967 5.272 1.00 22.87 C +ANISOU 238 C LYS A 29 2989 2683 3018 463 -518 -249 C +ATOM 239 O LYS A 29 15.978 19.585 6.194 1.00 23.03 O +ANISOU 239 O LYS A 29 3010 2719 3021 507 -459 -243 O +ATOM 240 CB LYS A 29 16.529 16.493 5.576 1.00 26.86 C +ANISOU 240 CB LYS A 29 3597 3164 3446 405 -581 -198 C +ATOM 241 CG LYS A 29 15.387 16.550 6.571 1.00 30.08 C +ANISOU 241 CG LYS A 29 4001 3605 3822 410 -505 -127 C +ATOM 242 CD LYS A 29 14.693 15.199 6.701 1.00 42.42 C +ANISOU 242 CD LYS A 29 5596 5159 5362 345 -508 -43 C +ATOM 243 CE LYS A 29 13.216 15.354 7.031 1.00 64.35 C +ANISOU 243 CE LYS A 29 8305 7988 8159 312 -421 55 C +ATOM 244 NZ LYS A 29 12.974 15.895 8.398 1.00 45.46 N +ANISOU 244 NZ LYS A 29 5941 5628 5703 383 -334 57 N +ATOM 245 N LYS A 30 16.362 19.294 3.996 1.00 22.16 N +ANISOU 245 N LYS A 30 2839 2596 2987 423 -530 -228 N +ATOM 246 CA LYS A 30 15.298 20.160 3.528 1.00 21.88 C +ANISOU 246 CA LYS A 30 2724 2585 3003 418 -484 -166 C +ATOM 247 C LYS A 30 14.222 19.286 2.897 1.00 20.99 C +ANISOU 247 C LYS A 30 2573 2504 2899 347 -498 -75 C +ATOM 248 O LYS A 30 14.509 18.487 2.005 1.00 22.73 O +ANISOU 248 O LYS A 30 2813 2713 3110 291 -558 -74 O +ATOM 249 CB LYS A 30 15.859 21.152 2.509 1.00 21.03 C +ANISOU 249 CB LYS A 30 2583 2458 2950 418 -498 -193 C +ATOM 250 CG LYS A 30 14.879 22.228 2.071 1.00 22.18 C +ANISOU 250 CG LYS A 30 2655 2617 3156 432 -458 -131 C +ATOM 251 CD LYS A 30 14.068 21.796 0.857 1.00 22.83 C +ANISOU 251 CD LYS A 30 2686 2733 3255 369 -493 -46 C +ATOM 252 CE LYS A 30 12.903 22.744 0.600 1.00 22.79 C +ANISOU 252 CE LYS A 30 2595 2749 3313 396 -461 32 C +ATOM 253 NZ LYS A 30 12.017 22.250 -0.485 1.00 24.37 N +ANISOU 253 NZ LYS A 30 2740 2993 3527 332 -514 119 N +ATOM 254 N ASP A 31 12.994 19.421 3.384 1.00 22.47 N +ANISOU 254 N ASP A 31 2703 2728 3104 351 -443 -3 N +ATOM 255 CA ASP A 31 11.910 18.514 3.015 1.00 24.94 C +ANISOU 255 CA ASP A 31 2970 3074 3434 274 -458 87 C +ATOM 256 C ASP A 31 11.233 18.939 1.719 1.00 23.83 C +ANISOU 256 C ASP A 31 2740 2959 3354 234 -495 142 C +ATOM 257 O ASP A 31 11.099 20.134 1.439 1.00 25.91 O +ANISOU 257 O ASP A 31 2952 3230 3662 286 -471 145 O +ATOM 258 CB ASP A 31 10.854 18.466 4.119 1.00 25.34 C +ANISOU 258 CB ASP A 31 2979 3165 3485 292 -371 150 C +ATOM 259 CG ASP A 31 11.355 17.790 5.379 1.00 31.52 C +ANISOU 259 CG ASP A 31 3863 3927 4185 315 -342 120 C +ATOM 260 OD1 ASP A 31 12.243 16.919 5.282 1.00 34.70 O +ANISOU 260 OD1 ASP A 31 4354 4286 4543 289 -408 80 O +ATOM 261 OD2 ASP A 31 10.859 18.144 6.465 1.00 41.33 O +ANISOU 261 OD2 ASP A 31 5101 5199 5403 367 -252 138 O +ATOM 262 N PRO A 32 10.762 17.956 0.941 1.00 23.88 N +ANISOU 262 N PRO A 32 2735 2975 3364 143 -562 187 N +ATOM 263 CA PRO A 32 9.861 18.227 -0.162 1.00 25.23 C +ANISOU 263 CA PRO A 32 2815 3184 3586 97 -609 256 C +ATOM 264 C PRO A 32 8.412 18.312 0.307 1.00 29.38 C +ANISOU 264 C PRO A 32 3218 3769 4178 85 -565 353 C +ATOM 265 O PRO A 32 8.130 18.109 1.489 1.00 28.80 O +ANISOU 265 O PRO A 32 3140 3704 4099 109 -484 366 O +ATOM 266 CB PRO A 32 10.054 17.007 -1.053 1.00 26.14 C +ANISOU 266 CB PRO A 32 2990 3278 3664 -1 -705 246 C +ATOM 267 CG PRO A 32 10.316 15.894 -0.088 1.00 25.48 C +ANISOU 267 CG PRO A 32 2979 3157 3544 -23 -686 226 C +ATOM 268 CD PRO A 32 10.972 16.508 1.127 1.00 24.55 C +ANISOU 268 CD PRO A 32 2896 3029 3404 76 -601 180 C +ATOM 269 N GLU A 33 7.502 18.601 -0.617 1.00 27.76 N +ANISOU 269 N GLU A 33 2909 3606 4030 51 -618 424 N +ATOM 270 CA GLU A 33 6.080 18.447 -0.356 1.00 30.48 C +ANISOU 270 CA GLU A 33 3114 4015 4453 17 -596 524 C +ATOM 271 C GLU A 33 5.747 16.982 -0.084 1.00 30.61 C +ANISOU 271 C GLU A 33 3150 4024 4455 -97 -623 550 C +ATOM 272 O GLU A 33 6.314 16.080 -0.696 1.00 31.81 O +ANISOU 272 O GLU A 33 3400 4130 4556 -172 -710 509 O +ATOM 273 CB GLU A 33 5.267 18.982 -1.538 1.00 31.21 C +ANISOU 273 CB GLU A 33 3095 4154 4609 -2 -680 593 C +ATOM 274 CG GLU A 33 5.445 20.478 -1.759 1.00 43.10 C +ANISOU 274 CG GLU A 33 4575 5656 6144 114 -647 589 C +ATOM 275 CD GLU A 33 4.680 20.993 -2.963 1.00 69.39 C +ANISOU 275 CD GLU A 33 7807 9029 9528 102 -742 667 C +ATOM 276 OE1 GLU A 33 3.853 20.237 -3.511 1.00 53.78 O +ANISOU 276 OE1 GLU A 33 5758 7099 7578 6 -831 727 O +ATOM 277 OE2 GLU A 33 4.907 22.157 -3.362 1.00 70.34 O +ANISOU 277 OE2 GLU A 33 7929 9132 9666 186 -736 670 O +ATOM 278 N GLY A 34 4.828 16.747 0.846 1.00 32.07 N +ANISOU 278 N GLY A 34 3247 4251 4688 -109 -540 619 N +ATOM 279 CA GLY A 34 4.247 15.423 1.011 1.00 35.28 C +ANISOU 279 CA GLY A 34 3642 4655 5110 -237 -566 673 C +ATOM 280 C GLY A 34 5.067 14.522 1.912 1.00 41.72 C +ANISOU 280 C GLY A 34 4609 5403 5841 -247 -526 627 C +ATOM 281 O GLY A 34 5.980 14.974 2.599 1.00 37.93 O +ANISOU 281 O GLY A 34 4223 4895 5293 -147 -465 559 O +ATOM 282 N LEU A 35 4.729 13.236 1.909 1.00 42.65 N +ANISOU 282 N LEU A 35 4751 5488 5966 -371 -569 667 N +ATOM 283 CA LEU A 35 5.336 12.281 2.830 1.00 38.69 C +ANISOU 283 CA LEU A 35 4389 4918 5395 -386 -531 650 C +ATOM 284 C LEU A 35 6.834 12.234 2.616 1.00 34.36 C +ANISOU 284 C LEU A 35 4005 4295 4756 -320 -582 533 C +ATOM 285 O LEU A 35 7.297 12.171 1.480 1.00 37.64 O +ANISOU 285 O LEU A 35 4456 4683 5164 -342 -684 477 O +ATOM 286 CB LEU A 35 4.756 10.885 2.617 1.00 43.74 C +ANISOU 286 CB LEU A 35 5038 5513 6070 -544 -594 710 C +ATOM 287 CG LEU A 35 3.822 10.391 3.720 1.00 61.10 C +ANISOU 287 CG LEU A 35 7170 7739 8306 -601 -483 822 C +ATOM 288 CD1 LEU A 35 2.790 11.456 4.058 1.00 73.38 C +ANISOU 288 CD1 LEU A 35 8533 9413 9934 -548 -378 891 C +ATOM 289 CD2 LEU A 35 3.148 9.096 3.294 1.00 64.60 C +ANISOU 289 CD2 LEU A 35 7601 8132 8813 -780 -564 887 C +ATOM 290 N PHE A 36 7.585 12.252 3.714 1.00 33.83 N +ANISOU 290 N PHE A 36 4036 4202 4617 -238 -511 497 N +ATOM 291 CA PHE A 36 9.030 12.158 3.646 1.00 29.75 C +ANISOU 291 CA PHE A 36 3660 3619 4026 -172 -558 391 C +ATOM 292 C PHE A 36 9.610 11.429 4.859 1.00 32.31 C +ANISOU 292 C PHE A 36 4109 3893 4276 -142 -519 387 C +ATOM 293 O PHE A 36 8.956 11.303 5.892 1.00 36.09 O +ANISOU 293 O PHE A 36 4571 4400 4742 -147 -430 462 O +ATOM 294 CB PHE A 36 9.633 13.558 3.539 1.00 37.81 C +ANISOU 294 CB PHE A 36 4654 4676 5037 -59 -531 322 C +ATOM 295 CG PHE A 36 11.007 13.580 2.937 1.00 37.97 C +ANISOU 295 CG PHE A 36 4769 4643 5016 -17 -600 216 C +ATOM 296 CD1 PHE A 36 11.265 12.912 1.753 1.00 35.27 C +ANISOU 296 CD1 PHE A 36 4461 4263 4679 -83 -694 190 C +ATOM 297 CD2 PHE A 36 12.041 14.258 3.564 1.00 39.42 C +ANISOU 297 CD2 PHE A 36 5004 4817 5157 86 -569 141 C +ATOM 298 CE1 PHE A 36 12.524 12.928 1.194 1.00 40.79 C +ANISOU 298 CE1 PHE A 36 5236 4921 5342 -39 -738 95 C +ATOM 299 CE2 PHE A 36 13.305 14.280 3.011 1.00 43.46 C +ANISOU 299 CE2 PHE A 36 5579 5288 5645 120 -625 49 C +ATOM 300 CZ PHE A 36 13.547 13.614 1.823 1.00 47.18 C +ANISOU 300 CZ PHE A 36 6076 5728 6123 61 -701 29 C +ATOM 301 N LEU A 37 10.843 10.957 4.720 1.00 27.87 N +ANISOU 301 N LEU A 37 3671 3258 3662 -106 -585 305 N +ATOM 302 CA LEU A 37 11.613 10.459 5.853 1.00 30.45 C +ANISOU 302 CA LEU A 37 4121 3539 3911 -47 -567 288 C +ATOM 303 C LEU A 37 11.719 11.507 6.944 1.00 31.37 C +ANISOU 303 C LEU A 37 4222 3716 3979 55 -477 276 C +ATOM 304 O LEU A 37 11.941 12.689 6.668 1.00 30.27 O +ANISOU 304 O LEU A 37 4021 3621 3858 117 -462 220 O +ATOM 305 CB LEU A 37 13.012 10.052 5.405 1.00 29.22 C +ANISOU 305 CB LEU A 37 4067 3310 3724 2 -656 187 C +ATOM 306 CG LEU A 37 13.047 8.895 4.417 1.00 31.56 C +ANISOU 306 CG LEU A 37 4415 3527 4049 -83 -743 181 C +ATOM 307 CD1 LEU A 37 14.464 8.638 3.930 1.00 35.46 C +ANISOU 307 CD1 LEU A 37 4993 3963 4519 -13 -811 72 C +ATOM 308 CD2 LEU A 37 12.455 7.649 5.055 1.00 38.34 C +ANISOU 308 CD2 LEU A 37 5344 4322 4903 -161 -739 270 C +ATOM 309 N GLN A 38 11.566 11.069 8.184 1.00 29.89 N +ANISOU 309 N GLN A 38 4105 3526 3725 72 -419 328 N +ATOM 310 CA GLN A 38 11.415 11.992 9.302 1.00 32.36 C +ANISOU 310 CA GLN A 38 4413 3904 3980 158 -319 327 C +ATOM 311 C GLN A 38 12.737 12.169 10.041 1.00 32.27 C +ANISOU 311 C GLN A 38 4523 3863 3875 262 -360 237 C +ATOM 312 O GLN A 38 13.290 13.269 10.089 1.00 36.14 O +ANISOU 312 O GLN A 38 4993 4380 4359 342 -360 150 O +ATOM 313 CB GLN A 38 10.352 11.475 10.269 1.00 37.38 C +ANISOU 313 CB GLN A 38 5050 4570 4584 114 -212 446 C +ATOM 314 CG GLN A 38 9.800 12.543 11.192 1.00 45.57 C +ANISOU 314 CG GLN A 38 6042 5693 5580 192 -81 455 C +ATOM 315 CD GLN A 38 8.839 13.472 10.480 1.00 59.94 C +ANISOU 315 CD GLN A 38 7686 7579 7508 180 -30 472 C +ATOM 316 OE1 GLN A 38 7.928 13.027 9.784 1.00 79.46 O +ANISOU 316 OE1 GLN A 38 10052 10065 10073 79 -34 552 O +ATOM 317 NE2 GLN A 38 9.038 14.771 10.651 1.00 64.14 N +ANISOU 317 NE2 GLN A 38 8189 8147 8033 283 10 398 N +ATOM 318 N ASP A 39 13.246 11.085 10.617 1.00 29.38 N +ANISOU 318 N ASP A 39 4283 3437 3442 260 -403 259 N +ATOM 319 CA ASP A 39 14.540 11.131 11.283 1.00 31.84 C +ANISOU 319 CA ASP A 39 4705 3721 3672 358 -467 179 C +ATOM 320 C ASP A 39 15.140 9.739 11.429 1.00 35.67 C +ANISOU 320 C ASP A 39 5311 4116 4124 344 -550 207 C +ATOM 321 O ASP A 39 14.635 8.765 10.856 1.00 35.25 O +ANISOU 321 O ASP A 39 5260 4009 4123 253 -564 272 O +ATOM 322 CB ASP A 39 14.406 11.795 12.654 1.00 40.04 C +ANISOU 322 CB ASP A 39 5795 4818 4602 434 -388 181 C +ATOM 323 CG ASP A 39 13.432 11.069 13.560 1.00 41.74 C +ANISOU 323 CG ASP A 39 6064 5046 4748 391 -292 310 C +ATOM 324 OD1 ASP A 39 13.247 9.849 13.378 1.00 40.20 O +ANISOU 324 OD1 ASP A 39 5915 4789 4570 316 -322 390 O +ATOM 325 OD2 ASP A 39 12.851 11.718 14.457 1.00 41.47 O +ANISOU 325 OD2 ASP A 39 6032 5081 4645 431 -181 332 O +ATOM 326 N ASN A 40 16.228 9.652 12.187 1.00 30.93 N +ANISOU 326 N ASN A 40 4814 3494 3445 437 -613 155 N +ATOM 327 CA ASN A 40 16.988 8.415 12.298 1.00 32.73 C +ANISOU 327 CA ASN A 40 5156 3629 3650 452 -707 168 C +ATOM 328 C ASN A 40 17.359 7.874 10.928 1.00 33.21 C +ANISOU 328 C ASN A 40 5177 3624 3818 411 -779 124 C +ATOM 329 O ASN A 40 17.309 6.667 10.687 1.00 33.33 O +ANISOU 329 O ASN A 40 5264 3549 3852 367 -820 173 O +ATOM 330 CB ASN A 40 16.191 7.372 13.079 1.00 38.70 C +ANISOU 330 CB ASN A 40 6012 4348 4346 396 -658 306 C +ATOM 331 CG ASN A 40 16.198 7.638 14.568 1.00 39.25 C +ANISOU 331 CG ASN A 40 6178 4465 4271 465 -611 344 C +ATOM 332 OD1 ASN A 40 17.138 7.266 15.267 1.00 46.57 O +ANISOU 332 OD1 ASN A 40 7223 5358 5116 547 -694 325 O +ATOM 333 ND2 ASN A 40 15.156 8.302 15.058 1.00 39.48 N +ANISOU 333 ND2 ASN A 40 6157 4578 4264 439 -478 394 N +ATOM 334 N ILE A 41 17.736 8.775 10.031 1.00 29.12 N +ANISOU 334 N ILE A 41 4553 3145 3365 425 -792 31 N +ATOM 335 CA ILE A 41 17.939 8.417 8.639 1.00 29.31 C +ANISOU 335 CA ILE A 41 4532 3126 3478 381 -837 -12 C +ATOM 336 C ILE A 41 19.398 8.057 8.386 1.00 28.65 C +ANISOU 336 C ILE A 41 4490 2990 3404 466 -931 -104 C +ATOM 337 O ILE A 41 20.301 8.873 8.600 1.00 32.12 O +ANISOU 337 O ILE A 41 4893 3472 3839 545 -954 -184 O +ATOM 338 CB ILE A 41 17.529 9.569 7.706 1.00 26.69 C +ANISOU 338 CB ILE A 41 4067 2866 3209 348 -794 -50 C +ATOM 339 CG1 ILE A 41 16.042 9.880 7.885 1.00 30.31 C +ANISOU 339 CG1 ILE A 41 4464 3377 3675 270 -705 46 C +ATOM 340 CG2 ILE A 41 17.830 9.219 6.258 1.00 29.93 C +ANISOU 340 CG2 ILE A 41 4449 3238 3686 309 -843 -99 C +ATOM 341 CD1 ILE A 41 15.648 11.270 7.434 1.00 31.32 C +ANISOU 341 CD1 ILE A 41 4470 3585 3845 276 -653 18 C +ATOM 342 N VAL A 42 19.616 6.825 7.937 1.00 28.56 N +ANISOU 342 N VAL A 42 4553 2884 3416 450 -984 -94 N +ATOM 343 CA VAL A 42 20.946 6.342 7.619 1.00 29.88 C +ANISOU 343 CA VAL A 42 4754 2994 3606 538 -1065 -177 C +ATOM 344 C VAL A 42 20.924 5.687 6.248 1.00 36.01 C +ANISOU 344 C VAL A 42 5529 3708 4446 489 -1083 -213 C +ATOM 345 O VAL A 42 20.044 4.880 5.947 1.00 33.20 O +ANISOU 345 O VAL A 42 5226 3290 4100 398 -1077 -150 O +ATOM 346 CB VAL A 42 21.428 5.316 8.658 1.00 36.26 C +ANISOU 346 CB VAL A 42 5694 3723 4361 605 -1127 -133 C +ATOM 347 CG1 VAL A 42 22.858 4.892 8.359 1.00 34.41 C +ANISOU 347 CG1 VAL A 42 5472 3438 4163 716 -1213 -223 C +ATOM 348 CG2 VAL A 42 21.312 5.887 10.064 1.00 42.35 C +ANISOU 348 CG2 VAL A 42 6492 4558 5040 645 -1109 -88 C +ATOM 349 N ALA A 43 21.897 6.040 5.417 1.00 30.04 N +ANISOU 349 N ALA A 43 4714 2967 3731 545 -1102 -316 N +ATOM 350 CA ALA A 43 21.978 5.491 4.068 1.00 28.89 C +ANISOU 350 CA ALA A 43 4577 2772 3629 512 -1112 -367 C +ATOM 351 C ALA A 43 23.231 4.642 3.898 1.00 29.82 C +ANISOU 351 C ALA A 43 4753 2809 3769 620 -1169 -440 C +ATOM 352 O ALA A 43 24.271 4.937 4.478 1.00 32.76 O +ANISOU 352 O ALA A 43 5094 3207 4147 725 -1197 -482 O +ATOM 353 CB ALA A 43 21.953 6.612 3.041 1.00 29.24 C +ANISOU 353 CB ALA A 43 4506 2906 3700 482 -1064 -420 C +ATOM 354 N GLU A 44 23.114 3.588 3.097 1.00 30.65 N +ANISOU 354 N GLU A 44 4939 2815 3891 593 -1191 -458 N +ATOM 355 CA GLU A 44 24.244 2.735 2.766 1.00 31.30 C +ANISOU 355 CA GLU A 44 5077 2812 4003 702 -1234 -536 C +ATOM 356 C GLU A 44 24.410 2.655 1.256 1.00 33.21 C +ANISOU 356 C GLU A 44 5306 3048 4266 683 -1206 -626 C +ATOM 357 O GLU A 44 23.543 2.131 0.557 1.00 34.24 O +ANISOU 357 O GLU A 44 5503 3124 4384 583 -1207 -612 O +ATOM 358 CB GLU A 44 24.032 1.337 3.345 1.00 34.77 C +ANISOU 358 CB GLU A 44 5671 3104 4437 710 -1292 -478 C +ATOM 359 CG GLU A 44 25.228 0.411 3.195 1.00 41.83 C +ANISOU 359 CG GLU A 44 6630 3896 5368 848 -1344 -550 C +ATOM 360 CD GLU A 44 26.392 0.817 4.077 1.00 38.74 C +ANISOU 360 CD GLU A 44 6175 3559 4987 990 -1379 -571 C +ATOM 361 OE1 GLU A 44 26.148 1.312 5.199 1.00 38.94 O +ANISOU 361 OE1 GLU A 44 6186 3640 4969 981 -1393 -497 O +ATOM 362 OE2 GLU A 44 27.548 0.645 3.643 1.00 39.32 O +ANISOU 362 OE2 GLU A 44 6209 3621 5110 1109 -1394 -663 O +ATOM 363 N PHE A 45 25.525 3.179 0.759 1.00 33.38 N +ANISOU 363 N PHE A 45 5241 3127 4314 774 -1180 -717 N +ATOM 364 CA PHE A 45 25.770 3.239 -0.675 1.00 31.45 C +ANISOU 364 CA PHE A 45 4981 2897 4072 765 -1134 -803 C +ATOM 365 C PHE A 45 26.723 2.133 -1.107 1.00 33.35 C +ANISOU 365 C PHE A 45 5299 3034 4339 878 -1152 -889 C +ATOM 366 O PHE A 45 27.673 1.798 -0.390 1.00 38.09 O +ANISOU 366 O PHE A 45 5889 3603 4979 1002 -1186 -906 O +ATOM 367 CB PHE A 45 26.351 4.600 -1.060 1.00 29.84 C +ANISOU 367 CB PHE A 45 4626 2828 3882 782 -1070 -843 C +ATOM 368 CG PHE A 45 25.321 5.682 -1.195 1.00 31.66 C +ANISOU 368 CG PHE A 45 4795 3149 4086 665 -1036 -781 C +ATOM 369 CD1 PHE A 45 24.767 6.272 -0.068 1.00 32.41 C +ANISOU 369 CD1 PHE A 45 4854 3283 4177 634 -1049 -702 C +ATOM 370 CD2 PHE A 45 24.917 6.124 -2.445 1.00 28.63 C +ANISOU 370 CD2 PHE A 45 4393 2811 3676 595 -990 -802 C +ATOM 371 CE1 PHE A 45 23.820 7.271 -0.186 1.00 32.52 C +ANISOU 371 CE1 PHE A 45 4806 3373 4175 542 -1013 -648 C +ATOM 372 CE2 PHE A 45 23.973 7.134 -2.569 1.00 27.68 C +ANISOU 372 CE2 PHE A 45 4210 2768 3538 499 -966 -738 C +ATOM 373 CZ PHE A 45 23.422 7.704 -1.437 1.00 31.68 C +ANISOU 373 CZ PHE A 45 4672 3307 4056 476 -975 -663 C +ATOM 374 N SER A 46 26.454 1.562 -2.278 1.00 34.22 N +ANISOU 374 N SER A 46 5490 3089 4424 840 -1134 -946 N +ATOM 375 CA SER A 46 27.293 0.516 -2.845 1.00 39.59 C +ANISOU 375 CA SER A 46 6255 3664 5123 950 -1137 -1043 C +ATOM 376 C SER A 46 27.485 0.738 -4.342 1.00 45.00 C +ANISOU 376 C SER A 46 6936 4393 5769 939 -1064 -1139 C +ATOM 377 O SER A 46 26.713 1.455 -4.981 1.00 37.05 O +ANISOU 377 O SER A 46 5901 3466 4711 822 -1036 -1117 O +ATOM 378 CB SER A 46 26.663 -0.858 -2.605 1.00 39.72 C +ANISOU 378 CB SER A 46 6450 3506 5136 918 -1211 -1014 C +ATOM 379 OG SER A 46 26.475 -1.103 -1.221 1.00 46.39 O +ANISOU 379 OG SER A 46 7315 4309 6003 927 -1271 -913 O +ATOM 380 N VAL A 47 28.517 0.113 -4.896 1.00 39.97 N +ANISOU 380 N VAL A 47 6330 3704 5152 1069 -1031 -1245 N +ATOM 381 CA VAL A 47 28.715 0.080 -6.342 1.00 76.76 C +ANISOU 381 CA VAL A 47 11027 8384 9756 1071 -956 -1346 C +ATOM 382 C VAL A 47 29.241 -1.302 -6.771 1.00 60.45 C +ANISOU 382 C VAL A 47 9108 6161 7697 1182 -966 -1448 C +ATOM 383 O VAL A 47 30.094 -1.886 -6.100 1.00 50.53 O +ANISOU 383 O VAL A 47 7845 4837 6517 1323 -988 -1466 O +ATOM 384 CB VAL A 47 29.677 1.206 -6.781 1.00 44.80 C +ANISOU 384 CB VAL A 47 6809 4492 5723 1131 -850 -1385 C +ATOM 385 CG1 VAL A 47 31.046 1.018 -6.151 1.00 59.11 C +ANISOU 385 CG1 VAL A 47 8526 6301 7633 1302 -836 -1425 C +ATOM 386 CG2 VAL A 47 29.783 1.286 -8.295 1.00 47.88 C +ANISOU 386 CG2 VAL A 47 7243 4919 6029 1119 -758 -1474 C +ATOM 387 N ASP A 48 28.713 -1.838 -7.870 1.00 52.45 N +ANISOU 387 N ASP A 48 8236 5087 6605 1122 -959 -1516 N +ATOM 388 CA ASP A 48 29.075 -3.184 -8.304 1.00102.89 C +ANISOU 388 CA ASP A 48 14793 11306 12994 1216 -974 -1621 C +ATOM 389 C ASP A 48 30.139 -3.143 -9.399 1.00 65.09 C +ANISOU 389 C ASP A 48 9989 6568 8176 1346 -852 -1757 C +ATOM 390 O ASP A 48 30.654 -2.074 -9.731 1.00 62.99 O +ANISOU 390 O ASP A 48 9568 6467 7899 1361 -757 -1758 O +ATOM 391 CB ASP A 48 27.837 -3.942 -8.795 1.00 66.28 C +ANISOU 391 CB ASP A 48 10347 6546 8290 1068 -1055 -1624 C +ATOM 392 CG ASP A 48 27.269 -3.374 -10.086 1.00 67.68 C +ANISOU 392 CG ASP A 48 10546 6819 8349 957 -1016 -1670 C +ATOM 393 OD1 ASP A 48 28.053 -2.825 -10.902 1.00 65.16 O +ANISOU 393 OD1 ASP A 48 10166 6607 7983 1037 -905 -1747 O +ATOM 394 OD2 ASP A 48 26.034 -3.486 -10.289 1.00 61.69 O +ANISOU 394 OD2 ASP A 48 9866 6031 7544 789 -1097 -1623 O +ATOM 395 N GLU A 49 30.468 -4.311 -9.959 1.00103.84 N +ANISOU 395 N GLU A 49 15059 11325 13070 1440 -848 -1873 N +ATOM 396 CA GLU A 49 31.619 -4.431 -10.834 1.00 56.46 C +ANISOU 396 CA GLU A 49 9042 5356 7056 1602 -720 -2008 C +ATOM 397 C GLU A 49 31.377 -3.696 -12.144 1.00 65.75 C +ANISOU 397 C GLU A 49 10222 6663 8097 1519 -624 -2058 C +ATOM 398 O GLU A 49 32.323 -3.284 -12.822 1.00 74.64 O +ANISOU 398 O GLU A 49 11264 7893 9204 1623 -484 -2131 O +ATOM 399 CB GLU A 49 31.925 -5.906 -11.099 1.00 61.86 C +ANISOU 399 CB GLU A 49 9923 5829 7754 1724 -743 -2123 C +ATOM 400 CG GLU A 49 32.777 -6.551 -10.020 1.00 79.63 C +ANISOU 400 CG GLU A 49 12129 7979 10149 1896 -783 -2104 C +ATOM 401 CD GLU A 49 34.125 -5.875 -9.872 1.00 66.43 C +ANISOU 401 CD GLU A 49 10229 6454 8556 2059 -674 -2124 C +ATOM 402 OE1 GLU A 49 34.555 -5.199 -10.828 1.00 76.31 O +ANISOU 402 OE1 GLU A 49 11399 7846 9748 2071 -540 -2190 O +ATOM 403 OE2 GLU A 49 34.755 -6.022 -8.804 1.00 85.73 O +ANISOU 403 OE2 GLU A 49 12575 8876 11121 2170 -727 -2069 O +ATOM 404 N THR A 50 30.103 -3.517 -12.488 1.00 47.35 N +ANISOU 404 N THR A 50 7983 4334 5674 1331 -699 -2011 N +ATOM 405 CA THR A 50 29.736 -2.866 -13.738 1.00 48.21 C +ANISOU 405 CA THR A 50 8121 4558 5638 1242 -635 -2047 C +ATOM 406 C THR A 50 29.699 -1.356 -13.557 1.00 50.25 C +ANISOU 406 C THR A 50 8174 5015 5903 1171 -583 -1936 C +ATOM 407 O THR A 50 29.641 -0.608 -14.530 1.00 52.09 O +ANISOU 407 O THR A 50 8392 5369 6029 1123 -505 -1949 O +ATOM 408 CB THR A 50 28.365 -3.350 -14.248 1.00 51.68 C +ANISOU 408 CB THR A 50 8748 4911 5978 1070 -756 -2048 C +ATOM 409 OG1 THR A 50 27.316 -2.691 -13.527 1.00 47.12 O +ANISOU 409 OG1 THR A 50 8081 4389 5435 909 -851 -1897 O +ATOM 410 CG2 THR A 50 28.232 -4.855 -14.073 1.00 55.78 C +ANISOU 410 CG2 THR A 50 9465 5200 6530 1109 -843 -2126 C +ATOM 411 N GLY A 51 29.733 -0.918 -12.301 1.00 46.29 N +ANISOU 411 N GLY A 51 7528 4540 5522 1166 -630 -1827 N +ATOM 412 CA GLY A 51 29.796 0.498 -11.977 1.00 47.66 C +ANISOU 412 CA GLY A 51 7504 4880 5723 1114 -585 -1728 C +ATOM 413 C GLY A 51 28.443 1.085 -11.632 1.00 44.88 C +ANISOU 413 C GLY A 51 7145 4562 5346 936 -682 -1607 C +ATOM 414 O GLY A 51 28.310 2.299 -11.511 1.00 48.84 O +ANISOU 414 O GLY A 51 7510 5193 5853 877 -649 -1528 O +ATOM 415 N GLN A 52 27.433 0.237 -11.465 1.00 46.33 N +ANISOU 415 N GLN A 52 7470 4624 5510 849 -798 -1591 N +ATOM 416 CA GLN A 52 26.110 0.728 -11.094 1.00 46.18 C +ANISOU 416 CA GLN A 52 7428 4636 5482 683 -887 -1473 C +ATOM 417 C GLN A 52 26.057 0.995 -9.601 1.00 51.17 C +ANISOU 417 C GLN A 52 7949 5268 6227 689 -928 -1367 C +ATOM 418 O GLN A 52 26.292 0.101 -8.782 1.00 39.69 O +ANISOU 418 O GLN A 52 6546 3695 4838 750 -977 -1369 O +ATOM 419 CB GLN A 52 24.995 -0.247 -11.489 1.00 58.57 C +ANISOU 419 CB GLN A 52 9175 6083 6998 567 -998 -1488 C +ATOM 420 CG GLN A 52 23.603 0.263 -11.123 1.00 74.22 C +ANISOU 420 CG GLN A 52 11109 8108 8984 396 -1085 -1361 C +ATOM 421 CD GLN A 52 22.577 0.054 -12.223 1.00 68.66 C +ANISOU 421 CD GLN A 52 10516 7395 8176 261 -1156 -1385 C +ATOM 422 OE1 GLN A 52 22.391 -1.061 -12.704 1.00106.99 O +ANISOU 422 OE1 GLN A 52 15539 12117 12994 241 -1216 -1469 O +ATOM 423 NE2 GLN A 52 21.897 1.130 -12.619 1.00 54.58 N +ANISOU 423 NE2 GLN A 52 8643 5748 6348 168 -1160 -1310 N +ATOM 424 N MET A 53 25.746 2.237 -9.258 1.00 39.91 N +ANISOU 424 N MET A 53 6379 3972 4815 629 -907 -1276 N +ATOM 425 CA MET A 53 25.578 2.620 -7.870 1.00 36.37 C +ANISOU 425 CA MET A 53 5832 3537 4449 624 -943 -1176 C +ATOM 426 C MET A 53 24.183 2.245 -7.398 1.00 37.87 C +ANISOU 426 C MET A 53 6083 3669 4637 490 -1038 -1087 C +ATOM 427 O MET A 53 23.205 2.393 -8.134 1.00 37.70 O +ANISOU 427 O MET A 53 6097 3671 4558 371 -1067 -1067 O +ATOM 428 CB MET A 53 25.797 4.121 -7.705 1.00 35.60 C +ANISOU 428 CB MET A 53 5565 3590 4370 615 -880 -1124 C +ATOM 429 CG MET A 53 25.910 4.560 -6.259 1.00 35.91 C +ANISOU 429 CG MET A 53 5506 3649 4489 640 -905 -1050 C +ATOM 430 SD MET A 53 26.556 6.235 -6.099 1.00 37.06 S +ANISOU 430 SD MET A 53 5464 3945 4673 661 -826 -1026 S +ATOM 431 CE MET A 53 25.205 7.200 -6.777 1.00 34.58 C +ANISOU 431 CE MET A 53 5135 3707 4296 512 -822 -947 C +ATOM 432 N SER A 54 24.097 1.760 -6.165 1.00 37.80 N +ANISOU 432 N SER A 54 6083 3589 4690 508 -1086 -1029 N +ATOM 433 CA SER A 54 22.818 1.589 -5.500 1.00 34.21 C +ANISOU 433 CA SER A 54 5648 3102 4247 383 -1152 -921 C +ATOM 434 C SER A 54 22.931 1.995 -4.042 1.00 34.25 C +ANISOU 434 C SER A 54 5571 3138 4306 420 -1151 -835 C +ATOM 435 O SER A 54 24.022 2.280 -3.548 1.00 37.79 O +ANISOU 435 O SER A 54 5960 3614 4784 543 -1121 -866 O +ATOM 436 CB SER A 54 22.356 0.137 -5.593 1.00 38.81 C +ANISOU 436 CB SER A 54 6399 3517 4831 337 -1228 -939 C +ATOM 437 OG SER A 54 23.280 -0.740 -4.964 1.00 39.31 O +ANISOU 437 OG SER A 54 6531 3466 4937 465 -1238 -974 O +ATOM 438 N ALA A 55 21.798 2.017 -3.350 1.00 33.29 N +ANISOU 438 N ALA A 55 5444 3013 4193 314 -1185 -727 N +ATOM 439 CA ALA A 55 21.787 2.364 -1.937 1.00 33.56 C +ANISOU 439 CA ALA A 55 5421 3075 4255 343 -1180 -642 C +ATOM 440 C ALA A 55 20.627 1.691 -1.215 1.00 34.15 C +ANISOU 440 C ALA A 55 5558 3078 4338 236 -1221 -535 C +ATOM 441 O ALA A 55 19.634 1.288 -1.831 1.00 34.16 O +ANISOU 441 O ALA A 55 5599 3044 4336 111 -1252 -513 O +ATOM 442 CB ALA A 55 21.715 3.872 -1.767 1.00 30.97 C +ANISOU 442 CB ALA A 55 4943 2899 3925 339 -1125 -613 C +ATOM 443 N THR A 56 20.767 1.564 0.096 1.00 35.72 N +ANISOU 443 N THR A 56 5766 3259 4548 281 -1224 -468 N +ATOM 444 CA THR A 56 19.631 1.338 0.973 1.00 35.41 C +ANISOU 444 CA THR A 56 5742 3202 4509 180 -1228 -342 C +ATOM 445 C THR A 56 19.514 2.486 1.970 1.00 32.56 C +ANISOU 445 C THR A 56 5272 2968 4132 207 -1175 -281 C +ATOM 446 O THR A 56 20.470 3.217 2.203 1.00 33.69 O +ANISOU 446 O THR A 56 5356 3177 4268 315 -1157 -335 O +ATOM 447 CB THR A 56 19.786 0.017 1.747 1.00 41.22 C +ANISOU 447 CB THR A 56 6623 3785 5255 203 -1276 -298 C +ATOM 448 OG1 THR A 56 20.959 0.075 2.572 1.00 42.01 O +ANISOU 448 OG1 THR A 56 6733 3884 5344 357 -1283 -320 O +ATOM 449 CG2 THR A 56 19.895 -1.156 0.781 1.00 41.60 C +ANISOU 449 CG2 THR A 56 6797 3685 5323 180 -1330 -368 C +ATOM 450 N ALA A 57 18.335 2.642 2.562 1.00 37.71 N +ANISOU 450 N ALA A 57 5895 3652 4781 107 -1147 -172 N +ATOM 451 CA ALA A 57 18.147 3.634 3.608 1.00 37.13 C +ANISOU 451 CA ALA A 57 5741 3685 4682 137 -1090 -115 C +ATOM 452 C ALA A 57 17.173 3.149 4.667 1.00 47.65 C +ANISOU 452 C ALA A 57 7114 4990 5999 65 -1064 14 C +ATOM 453 O ALA A 57 16.114 2.600 4.348 1.00 43.65 O +ANISOU 453 O ALA A 57 6614 4446 5523 -63 -1065 80 O +ATOM 454 CB ALA A 57 17.666 4.945 3.010 1.00 38.75 C +ANISOU 454 CB ALA A 57 5806 4018 4900 102 -1042 -129 C +ATOM 455 N LYS A 58 17.540 3.354 5.927 1.00 53.74 N +ANISOU 455 N LYS A 58 7913 5785 6720 144 -1042 52 N +ATOM 456 CA LYS A 58 16.603 3.235 7.034 1.00 54.31 C +ANISOU 456 CA LYS A 58 8004 5873 6756 87 -984 179 C +ATOM 457 C LYS A 58 16.207 4.625 7.530 1.00 39.86 C +ANISOU 457 C LYS A 58 6057 4189 4898 108 -902 190 C +ATOM 458 O LYS A 58 16.992 5.570 7.457 1.00 38.19 O +ANISOU 458 O LYS A 58 5792 4044 4676 200 -907 103 O +ATOM 459 CB LYS A 58 17.227 2.417 8.173 1.00 62.77 C +ANISOU 459 CB LYS A 58 9217 6863 7768 163 -1016 224 C +ATOM 460 CG LYS A 58 16.944 0.921 8.104 1.00 77.06 C +ANISOU 460 CG LYS A 58 11158 8515 9605 93 -1060 290 C +ATOM 461 CD LYS A 58 17.230 0.234 9.432 1.00 83.99 C +ANISOU 461 CD LYS A 58 12174 9328 10411 149 -1069 381 C +ATOM 462 CE LYS A 58 17.993 -1.069 9.243 1.00 85.65 C +ANISOU 462 CE LYS A 58 12532 9364 10646 197 -1165 364 C +ATOM 463 NZ LYS A 58 17.084 -2.237 9.076 1.00 86.78 N +ANISOU 463 NZ LYS A 58 12766 9371 10836 56 -1166 461 N +ATOM 464 N GLY A 59 14.980 4.745 8.025 1.00 39.03 N +ANISOU 464 N GLY A 59 5910 4130 4790 23 -824 297 N +ATOM 465 CA GLY A 59 14.563 5.937 8.758 1.00 38.21 C +ANISOU 465 CA GLY A 59 5722 4149 4647 59 -733 318 C +ATOM 466 C GLY A 59 13.132 5.858 9.253 1.00 40.32 C +ANISOU 466 C GLY A 59 5940 4458 4923 -42 -635 446 C +ATOM 467 O GLY A 59 12.309 5.134 8.695 1.00 43.84 O +ANISOU 467 O GLY A 59 6363 4860 5435 -165 -643 509 O +ATOM 468 N ARG A 60 12.827 6.618 10.297 1.00 37.43 N +ANISOU 468 N ARG A 60 5552 4178 4490 10 -540 481 N +ATOM 469 CA ARG A 60 11.453 6.774 10.748 1.00 36.20 C +ANISOU 469 CA ARG A 60 5316 4090 4349 -69 -420 595 C +ATOM 470 C ARG A 60 10.635 7.581 9.747 1.00 36.73 C +ANISOU 470 C ARG A 60 5205 4231 4519 -122 -397 581 C +ATOM 471 O ARG A 60 11.092 8.596 9.230 1.00 42.92 O +ANISOU 471 O ARG A 60 5928 5061 5318 -52 -419 486 O +ATOM 472 CB ARG A 60 11.411 7.447 12.119 1.00 42.09 C +ANISOU 472 CB ARG A 60 6096 4913 4982 21 -317 618 C +ATOM 473 CG ARG A 60 10.040 7.431 12.774 1.00 47.06 C +ANISOU 473 CG ARG A 60 6662 5608 5610 -50 -170 749 C +ATOM 474 CD ARG A 60 10.102 7.958 14.199 1.00 49.17 C +ANISOU 474 CD ARG A 60 7004 5942 5736 49 -66 767 C +ATOM 475 NE ARG A 60 10.519 9.355 14.245 1.00 56.58 N +ANISOU 475 NE ARG A 60 7892 6954 6650 164 -53 649 N +ATOM 476 CZ ARG A 60 9.682 10.387 14.219 1.00 51.83 C +ANISOU 476 CZ ARG A 60 7158 6446 6088 180 55 649 C +ATOM 477 NH1 ARG A 60 8.373 10.183 14.153 1.00 71.79 N +ANISOU 477 NH1 ARG A 60 9572 9021 8685 89 162 762 N +ATOM 478 NH2 ARG A 60 10.154 11.626 14.262 1.00 56.04 N +ANISOU 478 NH2 ARG A 60 7668 7023 6602 286 55 537 N +ATOM 479 N VAL A 61 9.416 7.118 9.484 1.00 38.68 N +ANISOU 479 N VAL A 61 5369 4487 4840 -250 -357 683 N +ATOM 480 CA VAL A 61 8.419 7.908 8.778 1.00 38.14 C +ANISOU 480 CA VAL A 61 5117 4508 4866 -298 -321 701 C +ATOM 481 C VAL A 61 7.124 7.906 9.568 1.00 56.54 C +ANISOU 481 C VAL A 61 7356 6909 7216 -357 -183 832 C +ATOM 482 O VAL A 61 6.743 6.895 10.156 1.00 49.69 O +ANISOU 482 O VAL A 61 6550 5995 6335 -438 -149 931 O +ATOM 483 CB VAL A 61 8.121 7.338 7.378 1.00 46.68 C +ANISOU 483 CB VAL A 61 6149 5541 6048 -414 -433 691 C +ATOM 484 CG1 VAL A 61 6.974 8.100 6.727 1.00 54.19 C +ANISOU 484 CG1 VAL A 61 6904 6590 7096 -467 -404 730 C +ATOM 485 CG2 VAL A 61 9.365 7.384 6.508 1.00 47.70 C +ANISOU 485 CG2 VAL A 61 6358 5611 6156 -352 -549 560 C +ATOM 486 N ARG A 62 6.447 9.039 9.579 1.00 51.89 N +ANISOU 486 N ARG A 62 6620 6431 6665 -313 -99 837 N +ATOM 487 CA ARG A 62 5.158 9.120 10.233 1.00 66.52 C +ANISOU 487 CA ARG A 62 8354 8365 8554 -361 45 958 C +ATOM 488 C ARG A 62 4.049 9.126 9.189 1.00 68.83 C +ANISOU 488 C ARG A 62 8453 8698 9000 -477 12 1013 C +ATOM 489 O ARG A 62 3.707 10.171 8.638 1.00115.98 O +ANISOU 489 O ARG A 62 14290 14746 15033 -426 16 980 O +ATOM 490 CB ARG A 62 5.087 10.374 11.100 1.00 76.87 C +ANISOU 490 CB ARG A 62 9632 9773 9802 -219 178 929 C +ATOM 491 CG ARG A 62 3.795 10.503 11.886 1.00 94.80 C +ANISOU 491 CG ARG A 62 11783 12138 12097 -245 355 1050 C +ATOM 492 CD ARG A 62 3.956 11.466 13.048 1.00 94.96 C +ANISOU 492 CD ARG A 62 11853 12226 12001 -92 495 1012 C +ATOM 493 NE ARG A 62 4.316 10.779 14.284 1.00 95.03 N +ANISOU 493 NE ARG A 62 12038 12210 11861 -79 562 1056 N +ATOM 494 CZ ARG A 62 5.161 11.265 15.187 1.00115.36 C +ANISOU 494 CZ ARG A 62 14766 14785 14282 52 586 977 C +ATOM 495 NH1 ARG A 62 5.735 12.445 14.993 1.00132.43 N +ANISOU 495 NH1 ARG A 62 16921 16964 16431 173 552 846 N +ATOM 496 NH2 ARG A 62 5.431 10.573 16.286 1.00 85.29 N +ANISOU 496 NH2 ARG A 62 11121 10954 10330 59 637 1031 N +ATOM 497 N LEU A 63 3.498 7.948 8.917 1.00 76.61 N +ANISOU 497 N LEU A 63 9431 9629 10050 -635 -30 1098 N +ATOM 498 CA LEU A 63 2.219 7.847 8.228 1.00 97.34 C +ANISOU 498 CA LEU A 63 11855 12307 12821 -765 -39 1181 C +ATOM 499 C LEU A 63 1.134 8.547 9.031 1.00109.63 C +ANISOU 499 C LEU A 63 13243 13994 14416 -733 142 1275 C +ATOM 500 O LEU A 63 1.116 8.482 10.260 1.00146.01 O +ANISOU 500 O LEU A 63 17916 18622 18938 -686 287 1325 O +ATOM 501 CB LEU A 63 1.837 6.383 8.013 1.00 93.98 C +ANISOU 501 CB LEU A 63 11470 11785 12453 -951 -105 1261 C +ATOM 502 CG LEU A 63 2.999 5.426 7.744 1.00 80.86 C +ANISOU 502 CG LEU A 63 10034 9970 10719 -963 -233 1187 C +ATOM 503 CD1 LEU A 63 2.501 3.992 7.648 1.00 74.21 C +ANISOU 503 CD1 LEU A 63 9235 9020 9942 -1150 -282 1276 C +ATOM 504 CD2 LEU A 63 3.740 5.826 6.478 1.00 70.59 C +ANISOU 504 CD2 LEU A 63 8755 8643 9421 -915 -384 1050 C +ATOM 505 N LEU A 64 0.230 9.218 8.328 1.00109.13 N +ANISOU 505 N LEU A 64 12967 14020 14478 -751 134 1298 N +ATOM 506 CA LEU A 64 -0.589 10.255 8.936 1.00124.19 C +ANISOU 506 CA LEU A 64 14709 16057 16421 -658 299 1345 C +ATOM 507 C LEU A 64 -1.413 9.673 10.079 1.00111.08 C +ANISOU 507 C LEU A 64 13004 14440 14761 -722 477 1480 C +ATOM 508 O LEU A 64 -1.405 8.464 10.308 1.00172.00 O +ANISOU 508 O LEU A 64 20808 22080 22465 -855 457 1547 O +ATOM 509 CB LEU A 64 -1.506 10.886 7.888 1.00166.54 C +ANISOU 509 CB LEU A 64 19837 21501 21941 -684 236 1367 C +ATOM 510 CG LEU A 64 -0.841 11.935 6.994 1.00136.62 C +ANISOU 510 CG LEU A 64 16065 17707 18138 -566 128 1248 C +ATOM 511 CD1 LEU A 64 -0.109 11.276 5.834 1.00 73.31 C +ANISOU 511 CD1 LEU A 64 8159 9590 10107 -653 -79 1179 C +ATOM 512 CD2 LEU A 64 -1.872 12.933 6.489 1.00 84.31 C +ANISOU 512 CD2 LEU A 64 9197 11191 11646 -522 147 1290 C +ATOM 513 N ASN A 65 -2.123 10.539 10.795 1.00126.83 N +ANISOU 513 N ASN A 65 14868 16553 16769 -625 657 1522 N +ATOM 514 CA ASN A 65 -2.661 10.196 12.107 1.00124.18 C +ANISOU 514 CA ASN A 65 14537 16267 16378 -635 868 1629 C +ATOM 515 C ASN A 65 -1.608 9.553 13.004 1.00124.26 C +ANISOU 515 C ASN A 65 14828 16185 16199 -608 882 1603 C +ATOM 516 O ASN A 65 -1.923 8.704 13.837 1.00118.46 O +ANISOU 516 O ASN A 65 14149 15439 15420 -690 989 1715 O +ATOM 517 CB ASN A 65 -3.865 9.261 11.963 1.00115.74 C +ANISOU 517 CB ASN A 65 13292 15226 15459 -834 901 1787 C +ATOM 518 CG ASN A 65 -3.488 7.798 12.100 1.00110.01 C +ANISOU 518 CG ASN A 65 12735 14373 14691 -994 831 1842 C +ATOM 519 OD1 ASN A 65 -3.619 7.208 13.172 1.00100.86 O +ANISOU 519 OD1 ASN A 65 11660 13207 13453 -1028 976 1936 O +ATOM 520 ND2 ASN A 65 -3.017 7.204 11.010 1.00171.48 N +ANISOU 520 ND2 ASN A 65 20580 22050 22524 -1090 612 1784 N +ATOM 521 N ASN A 66 -0.358 9.966 12.831 1.00104.99 N +ANISOU 521 N ASN A 66 12561 13679 13652 -494 773 1462 N +ATOM 522 CA ASN A 66 0.653 9.797 13.867 1.00130.90 C +ANISOU 522 CA ASN A 66 16087 16910 16740 -403 809 1418 C +ATOM 523 C ASN A 66 0.953 8.325 14.123 1.00124.58 C +ANISOU 523 C ASN A 66 15439 16001 15895 -533 757 1495 C +ATOM 524 O ASN A 66 1.172 7.917 15.264 1.00101.16 O +ANISOU 524 O ASN A 66 12622 13024 12792 -507 858 1548 O +ATOM 525 CB ASN A 66 0.196 10.458 15.168 1.00111.89 C +ANISOU 525 CB ASN A 66 13674 14607 14233 -291 1037 1454 C +ATOM 526 CG ASN A 66 -0.087 11.937 15.001 1.00111.22 C +ANISOU 526 CG ASN A 66 13456 14613 14190 -146 1098 1371 C +ATOM 527 OD1 ASN A 66 -1.087 12.326 14.398 1.00154.69 O +ANISOU 527 OD1 ASN A 66 18731 20190 19855 -177 1129 1419 O +ATOM 528 ND2 ASN A 66 0.795 12.771 15.536 1.00 96.98 N +ANISOU 528 ND2 ASN A 66 11798 12801 12250 15 1106 1248 N +ATOM 529 N TRP A 67 0.964 7.531 13.058 1.00103.25 N +ANISOU 529 N TRP A 67 12712 13213 13304 -669 597 1501 N +ATOM 530 CA TRP A 67 1.581 6.213 13.103 1.00 98.25 C +ANISOU 530 CA TRP A 67 12265 12438 12626 -762 499 1529 C +ATOM 531 C TRP A 67 3.049 6.301 12.707 1.00 70.15 C +ANISOU 531 C TRP A 67 8884 8789 8981 -659 339 1379 C +ATOM 532 O TRP A 67 3.383 6.785 11.626 1.00 76.95 O +ANISOU 532 O TRP A 67 9687 9645 9907 -636 217 1275 O +ATOM 533 CB TRP A 67 0.844 5.242 12.181 1.00 75.23 C +ANISOU 533 CB TRP A 67 9249 9462 9873 -967 406 1605 C +ATOM 534 CG TRP A 67 1.230 3.812 12.396 1.00111.63 C +ANISOU 534 CG TRP A 67 14043 13920 14452 -1078 343 1664 C +ATOM 535 CD1 TRP A 67 1.610 2.912 11.443 1.00105.80 C +ANISOU 535 CD1 TRP A 67 13379 13044 13777 -1181 162 1624 C +ATOM 536 CD2 TRP A 67 1.280 3.116 13.648 1.00172.04 C +ANISOU 536 CD2 TRP A 67 21841 21532 21994 -1091 460 1776 C +ATOM 537 NE1 TRP A 67 1.891 1.698 12.023 1.00114.55 N +ANISOU 537 NE1 TRP A 67 14668 14020 14837 -1255 158 1703 N +ATOM 538 CE2 TRP A 67 1.697 1.798 13.376 1.00172.67 C +ANISOU 538 CE2 TRP A 67 22077 21439 22090 -1203 337 1803 C +ATOM 539 CE3 TRP A 67 1.011 3.480 14.971 1.00169.83 C +ANISOU 539 CE3 TRP A 67 21588 21345 21597 -1015 660 1855 C +ATOM 540 CZ2 TRP A 67 1.851 0.841 14.379 1.00163.05 C +ANISOU 540 CZ2 TRP A 67 21036 20133 20782 -1242 401 1919 C +ATOM 541 CZ3 TRP A 67 1.165 2.529 15.966 1.00137.36 C +ANISOU 541 CZ3 TRP A 67 17654 17156 17379 -1056 727 1969 C +ATOM 542 CH2 TRP A 67 1.581 1.226 15.665 1.00132.35 C +ANISOU 542 CH2 TRP A 67 17170 16344 16772 -1170 595 2006 C +ATOM 543 N ASP A 68 3.922 5.838 13.595 1.00 77.53 N +ANISOU 543 N ASP A 68 10030 9658 9770 -595 344 1375 N +ATOM 544 CA ASP A 68 5.348 5.790 13.310 1.00 76.53 C +ANISOU 544 CA ASP A 68 10066 9442 9569 -501 194 1244 C +ATOM 545 C ASP A 68 5.731 4.422 12.767 1.00 76.99 C +ANISOU 545 C ASP A 68 10238 9347 9669 -610 59 1265 C +ATOM 546 O ASP A 68 5.029 3.436 12.986 1.00 84.17 O +ANISOU 546 O ASP A 68 11156 10203 10621 -747 96 1393 O +ATOM 547 CB ASP A 68 6.155 6.097 14.572 1.00 87.03 C +ANISOU 547 CB ASP A 68 11562 10788 10717 -355 252 1217 C +ATOM 548 CG ASP A 68 6.308 7.585 14.815 1.00 96.03 C +ANISOU 548 CG ASP A 68 12636 12041 11809 -210 314 1117 C +ATOM 549 OD1 ASP A 68 5.966 8.377 13.910 1.00 62.55 O +ANISOU 549 OD1 ASP A 68 8236 7851 7680 -209 294 1060 O +ATOM 550 OD2 ASP A 68 6.771 7.962 15.912 1.00102.62 O +ANISOU 550 OD2 ASP A 68 13590 12908 12493 -97 377 1096 O +ATOM 551 N VAL A 69 6.850 4.372 12.055 1.00 77.42 N +ANISOU 551 N VAL A 69 10377 9325 9714 -548 -92 1138 N +ATOM 552 CA VAL A 69 7.230 3.188 11.302 1.00 65.63 C +ANISOU 552 CA VAL A 69 8977 7683 8276 -637 -230 1128 C +ATOM 553 C VAL A 69 8.641 3.371 10.767 1.00 46.38 C +ANISOU 553 C VAL A 69 6636 5189 5796 -515 -360 975 C +ATOM 554 O VAL A 69 8.932 4.366 10.102 1.00 46.24 O +ANISOU 554 O VAL A 69 6527 5242 5800 -447 -389 869 O +ATOM 555 CB VAL A 69 6.269 2.939 10.124 1.00 62.86 C +ANISOU 555 CB VAL A 69 8478 7327 8080 -795 -280 1149 C +ATOM 556 CG1 VAL A 69 6.488 3.969 9.028 1.00 93.73 C +ANISOU 556 CG1 VAL A 69 12270 11308 12034 -736 -347 1024 C +ATOM 557 CG2 VAL A 69 6.448 1.532 9.579 1.00 73.13 C +ANISOU 557 CG2 VAL A 69 9898 8458 9431 -912 -398 1164 C +ATOM 558 N CYS A 70 9.521 2.423 11.075 1.00 50.53 N +ANISOU 558 N CYS A 70 7344 5589 6267 -483 -434 969 N +ATOM 559 CA CYS A 70 10.869 2.446 10.532 1.00 46.32 C +ANISOU 559 CA CYS A 70 6892 4995 5711 -372 -557 829 C +ATOM 560 C CYS A 70 10.856 1.981 9.082 1.00 53.58 C +ANISOU 560 C CYS A 70 7781 5841 6737 -455 -664 763 C +ATOM 561 O CYS A 70 10.825 0.785 8.796 1.00 54.26 O +ANISOU 561 O CYS A 70 7965 5790 6863 -537 -729 794 O +ATOM 562 CB CYS A 70 11.818 1.584 11.362 1.00 76.08 C +ANISOU 562 CB CYS A 70 10859 8655 9391 -295 -605 848 C +ATOM 563 SG CYS A 70 13.519 1.588 10.744 1.00 94.62 S +ANISOU 563 SG CYS A 70 13285 10938 11727 -146 -749 680 S +ATOM 564 N ALA A 71 10.869 2.945 8.172 1.00 45.15 N +ANISOU 564 N ALA A 71 6585 4859 5709 -432 -682 671 N +ATOM 565 CA ALA A 71 10.862 2.658 6.748 1.00 42.00 C +ANISOU 565 CA ALA A 71 6158 4411 5389 -500 -781 598 C +ATOM 566 C ALA A 71 12.193 2.075 6.297 1.00 40.68 C +ANISOU 566 C ALA A 71 6129 4133 5195 -414 -882 488 C +ATOM 567 O ALA A 71 13.253 2.458 6.786 1.00 48.24 O +ANISOU 567 O ALA A 71 7135 5105 6088 -273 -884 428 O +ATOM 568 CB ALA A 71 10.550 3.919 5.960 1.00 52.07 C +ANISOU 568 CB ALA A 71 7271 5814 6699 -485 -767 542 C +ATOM 569 N ASP A 72 12.119 1.146 5.351 1.00 39.98 N +ANISOU 569 N ASP A 72 6097 3933 5160 -500 -969 458 N +ATOM 570 CA ASP A 72 13.285 0.419 4.887 1.00 40.89 C +ANISOU 570 CA ASP A 72 6350 3925 5260 -423 -1057 358 C +ATOM 571 C ASP A 72 13.289 0.451 3.366 1.00 38.02 C +ANISOU 571 C ASP A 72 5955 3553 4937 -468 -1128 255 C +ATOM 572 O ASP A 72 12.496 -0.239 2.722 1.00 36.18 O +ANISOU 572 O ASP A 72 5736 3254 4758 -608 -1177 278 O +ATOM 573 CB ASP A 72 13.226 -1.023 5.394 1.00 43.07 C +ANISOU 573 CB ASP A 72 6785 4032 5547 -477 -1092 430 C +ATOM 574 CG ASP A 72 14.535 -1.767 5.223 1.00 55.74 C +ANISOU 574 CG ASP A 72 8541 5506 7131 -358 -1169 337 C +ATOM 575 OD1 ASP A 72 15.451 -1.246 4.552 1.00 59.32 O +ANISOU 575 OD1 ASP A 72 8967 6000 7571 -250 -1197 210 O +ATOM 576 OD2 ASP A 72 14.642 -2.886 5.764 1.00 69.89 O +ANISOU 576 OD2 ASP A 72 10478 7151 8927 -370 -1199 398 O +ATOM 577 N MET A 73 14.160 1.281 2.796 1.00 33.44 N +ANISOU 577 N MET A 73 5332 3043 4329 -357 -1133 144 N +ATOM 578 CA MET A 73 14.038 1.670 1.398 1.00 33.28 C +ANISOU 578 CA MET A 73 5254 3063 4326 -396 -1174 62 C +ATOM 579 C MET A 73 15.226 1.175 0.577 1.00 38.41 C +ANISOU 579 C MET A 73 6011 3629 4953 -310 -1231 -71 C +ATOM 580 O MET A 73 16.320 0.956 1.105 1.00 35.38 O +ANISOU 580 O MET A 73 5695 3200 4546 -183 -1227 -112 O +ATOM 581 CB MET A 73 13.922 3.194 1.263 1.00 39.43 C +ANISOU 581 CB MET A 73 5879 4008 5095 -352 -1116 54 C +ATOM 582 CG MET A 73 12.886 3.835 2.178 1.00 33.88 C +ANISOU 582 CG MET A 73 5063 3399 4410 -397 -1038 172 C +ATOM 583 SD MET A 73 11.191 3.339 1.807 1.00 36.04 S +ANISOU 583 SD MET A 73 5263 3671 4758 -595 -1059 279 S +ATOM 584 CE MET A 73 11.023 3.934 0.124 1.00 37.19 C +ANISOU 584 CE MET A 73 5335 3876 4918 -631 -1133 197 C +ATOM 585 N VAL A 74 14.992 1.007 -0.720 1.00 34.65 N +ANISOU 585 N VAL A 74 5545 3137 4482 -376 -1285 -137 N +ATOM 586 CA VAL A 74 16.028 0.597 -1.656 1.00 35.18 C +ANISOU 586 CA VAL A 74 5709 3138 4520 -297 -1324 -271 C +ATOM 587 C VAL A 74 16.077 1.578 -2.818 1.00 36.11 C +ANISOU 587 C VAL A 74 5742 3373 4606 -293 -1316 -337 C +ATOM 588 O VAL A 74 15.038 2.035 -3.297 1.00 34.45 O +ANISOU 588 O VAL A 74 5450 3234 4405 -403 -1334 -290 O +ATOM 589 CB VAL A 74 15.744 -0.813 -2.217 1.00 41.52 C +ANISOU 589 CB VAL A 74 6662 3774 5340 -384 -1407 -302 C +ATOM 590 CG1 VAL A 74 16.876 -1.266 -3.127 1.00 47.29 C +ANISOU 590 CG1 VAL A 74 7502 4431 6034 -280 -1431 -450 C +ATOM 591 CG2 VAL A 74 15.523 -1.810 -1.085 1.00 44.13 C +ANISOU 591 CG2 VAL A 74 7082 3978 5710 -413 -1417 -211 C +ATOM 592 N GLY A 75 17.284 1.897 -3.272 1.00 36.52 N +ANISOU 592 N GLY A 75 5809 3443 4622 -167 -1290 -440 N +ATOM 593 CA GLY A 75 17.461 2.821 -4.386 1.00 38.17 C +ANISOU 593 CA GLY A 75 5954 3758 4791 -155 -1270 -499 C +ATOM 594 C GLY A 75 18.486 2.324 -5.385 1.00 33.93 C +ANISOU 594 C GLY A 75 5518 3164 4208 -79 -1276 -632 C +ATOM 595 O GLY A 75 19.532 1.795 -5.010 1.00 39.15 O +ANISOU 595 O GLY A 75 6239 3755 4879 35 -1258 -688 O +ATOM 596 N THR A 76 18.183 2.493 -6.667 1.00 36.68 N +ANISOU 596 N THR A 76 5886 3547 4502 -135 -1300 -680 N +ATOM 597 CA THR A 76 19.141 2.186 -7.722 1.00 37.79 C +ANISOU 597 CA THR A 76 6117 3660 4580 -58 -1283 -810 C +ATOM 598 C THR A 76 19.316 3.391 -8.640 1.00 37.73 C +ANISOU 598 C THR A 76 6028 3792 4514 -45 -1232 -826 C +ATOM 599 O THR A 76 18.345 4.065 -8.992 1.00 34.37 O +ANISOU 599 O THR A 76 5538 3448 4074 -142 -1261 -759 O +ATOM 600 CB THR A 76 18.705 0.957 -8.547 1.00 47.90 C +ANISOU 600 CB THR A 76 7562 4815 5824 -135 -1369 -877 C +ATOM 601 OG1 THR A 76 17.355 1.125 -9.002 1.00 48.88 O +ANISOU 601 OG1 THR A 76 7660 4977 5935 -295 -1446 -815 O +ATOM 602 CG2 THR A 76 18.795 -0.301 -7.705 1.00 52.27 C +ANISOU 602 CG2 THR A 76 8219 5204 6438 -125 -1408 -874 C +ATOM 603 N PHE A 77 20.560 3.659 -9.019 1.00 35.74 N +ANISOU 603 N PHE A 77 5776 3568 4235 76 -1153 -909 N +ATOM 604 CA PHE A 77 20.903 4.903 -9.686 1.00 37.09 C +ANISOU 604 CA PHE A 77 5857 3871 4363 100 -1082 -909 C +ATOM 605 C PHE A 77 21.260 4.659 -11.148 1.00 37.18 C +ANISOU 605 C PHE A 77 5972 3887 4266 110 -1065 -1007 C +ATOM 606 O PHE A 77 22.108 3.823 -11.464 1.00 40.59 O +ANISOU 606 O PHE A 77 6502 4244 4675 192 -1037 -1113 O +ATOM 607 CB PHE A 77 22.064 5.585 -8.965 1.00 34.70 C +ANISOU 607 CB PHE A 77 5449 3616 4119 220 -992 -915 C +ATOM 608 CG PHE A 77 21.760 5.948 -7.541 1.00 33.80 C +ANISOU 608 CG PHE A 77 5244 3510 4090 217 -1005 -826 C +ATOM 609 CD1 PHE A 77 21.121 7.140 -7.233 1.00 30.95 C +ANISOU 609 CD1 PHE A 77 4767 3244 3748 167 -990 -736 C +ATOM 610 CD2 PHE A 77 22.119 5.101 -6.506 1.00 40.14 C +ANISOU 610 CD2 PHE A 77 6085 4222 4944 273 -1030 -831 C +ATOM 611 CE1 PHE A 77 20.843 7.477 -5.921 1.00 30.58 C +ANISOU 611 CE1 PHE A 77 4650 3206 3765 173 -992 -664 C +ATOM 612 CE2 PHE A 77 21.842 5.432 -5.192 1.00 35.97 C +ANISOU 612 CE2 PHE A 77 5489 3707 4470 273 -1039 -749 C +ATOM 613 CZ PHE A 77 21.207 6.623 -4.898 1.00 30.10 C +ANISOU 613 CZ PHE A 77 4635 3063 3740 223 -1016 -671 C +ATOM 614 N THR A 78 20.605 5.397 -12.038 1.00 38.83 N +ANISOU 614 N THR A 78 6165 4185 4403 33 -1080 -971 N +ATOM 615 CA THR A 78 20.979 5.408 -13.443 1.00 41.49 C +ANISOU 615 CA THR A 78 6596 4556 4614 47 -1048 -1051 C +ATOM 616 C THR A 78 21.864 6.609 -13.754 1.00 38.25 C +ANISOU 616 C THR A 78 6087 4258 4187 120 -923 -1040 C +ATOM 617 O THR A 78 21.522 7.745 -13.424 1.00 37.50 O +ANISOU 617 O THR A 78 5869 4247 4134 90 -909 -941 O +ATOM 618 CB THR A 78 19.734 5.444 -14.345 1.00 42.86 C +ANISOU 618 CB THR A 78 6829 4757 4700 -84 -1155 -1017 C +ATOM 619 OG1 THR A 78 18.940 4.273 -14.106 1.00 43.80 O +ANISOU 619 OG1 THR A 78 7038 4761 4843 -166 -1274 -1034 O +ATOM 620 CG2 THR A 78 20.138 5.499 -15.813 1.00 43.72 C +ANISOU 620 CG2 THR A 78 7052 4909 4651 -65 -1121 -1100 C +ATOM 621 N ASP A 79 23.005 6.345 -14.383 1.00 36.49 N +ANISOU 621 N ASP A 79 5920 4034 3911 216 -828 -1142 N +ATOM 622 CA ASP A 79 23.965 7.390 -14.725 1.00 37.03 C +ANISOU 622 CA ASP A 79 5896 4204 3971 281 -694 -1136 C +ATOM 623 C ASP A 79 23.377 8.376 -15.732 1.00 42.37 C +ANISOU 623 C ASP A 79 6576 4980 4542 205 -690 -1069 C +ATOM 624 O ASP A 79 22.491 8.031 -16.516 1.00 42.19 O +ANISOU 624 O ASP A 79 6665 4951 4414 127 -778 -1072 O +ATOM 625 CB ASP A 79 25.233 6.776 -15.320 1.00 47.85 C +ANISOU 625 CB ASP A 79 7331 5553 5296 397 -586 -1263 C +ATOM 626 CG ASP A 79 26.004 5.936 -14.321 1.00 55.19 C +ANISOU 626 CG ASP A 79 8237 6392 6342 498 -580 -1322 C +ATOM 627 OD1 ASP A 79 25.573 5.832 -13.155 1.00 46.74 O +ANISOU 627 OD1 ASP A 79 7110 5275 5374 475 -658 -1261 O +ATOM 628 OD2 ASP A 79 27.050 5.376 -14.709 1.00 58.46 O +ANISOU 628 OD2 ASP A 79 8689 6781 6741 609 -494 -1427 O +ATOM 629 N THR A 80 23.889 9.602 -15.709 1.00 36.35 N +ANISOU 629 N THR A 80 5694 4306 3812 227 -594 -1008 N +ATOM 630 CA THR A 80 23.658 10.552 -16.788 1.00 36.66 C +ANISOU 630 CA THR A 80 5749 4437 3742 182 -557 -951 C +ATOM 631 C THR A 80 24.987 11.026 -17.362 1.00 39.56 C +ANISOU 631 C THR A 80 6088 4863 4079 259 -388 -991 C +ATOM 632 O THR A 80 26.047 10.527 -16.987 1.00 39.97 O +ANISOU 632 O THR A 80 6108 4885 4194 349 -309 -1073 O +ATOM 633 CB THR A 80 22.861 11.780 -16.302 1.00 36.61 C +ANISOU 633 CB THR A 80 5623 4481 3806 118 -599 -811 C +ATOM 634 OG1 THR A 80 23.713 12.643 -15.536 1.00 35.71 O +ANISOU 634 OG1 THR A 80 5365 4389 3812 170 -502 -783 O +ATOM 635 CG2 THR A 80 21.673 11.350 -15.456 1.00 39.81 C +ANISOU 635 CG2 THR A 80 6011 4834 4282 56 -740 -767 C +ATOM 636 N GLU A 81 24.924 11.990 -18.276 1.00 41.44 N +ANISOU 636 N GLU A 81 6335 5185 4225 223 -332 -924 N +ATOM 637 CA GLU A 81 26.125 12.542 -18.893 1.00 41.63 C +ANISOU 637 CA GLU A 81 6328 5274 4217 278 -158 -942 C +ATOM 638 C GLU A 81 27.016 13.215 -17.853 1.00 41.60 C +ANISOU 638 C GLU A 81 6136 5273 4395 322 -77 -918 C +ATOM 639 O GLU A 81 28.233 13.281 -18.018 1.00 43.72 O +ANISOU 639 O GLU A 81 6348 5571 4691 388 63 -968 O +ATOM 640 CB GLU A 81 25.751 13.551 -19.982 1.00 48.41 C +ANISOU 640 CB GLU A 81 7233 6215 4945 217 -125 -845 C +ATOM 641 CG GLU A 81 24.908 12.972 -21.109 1.00 82.23 C +ANISOU 641 CG GLU A 81 11707 10508 9028 171 -214 -868 C +ATOM 642 CD GLU A 81 23.614 12.349 -20.619 1.00110.44 C +ANISOU 642 CD GLU A 81 15315 14019 12627 108 -412 -859 C +ATOM 643 OE1 GLU A 81 23.378 11.160 -20.921 1.00144.88 O +ANISOU 643 OE1 GLU A 81 19809 18326 16912 108 -482 -962 O +ATOM 644 OE2 GLU A 81 22.829 13.043 -19.937 1.00 64.94 O +ANISOU 644 OE2 GLU A 81 9448 8259 6968 56 -495 -752 O +ATOM 645 N ASP A 82 26.399 13.713 -16.786 1.00 38.09 N +ANISOU 645 N ASP A 82 5596 4803 4074 284 -168 -844 N +ATOM 646 CA ASP A 82 27.130 14.294 -15.662 1.00 33.85 C +ANISOU 646 CA ASP A 82 4895 4259 3707 319 -125 -830 C +ATOM 647 C ASP A 82 27.368 13.232 -14.591 1.00 32.30 C +ANISOU 647 C ASP A 82 4681 3989 3601 380 -186 -910 C +ATOM 648 O ASP A 82 26.420 12.618 -14.102 1.00 37.87 O +ANISOU 648 O ASP A 82 5443 4640 4305 351 -308 -902 O +ATOM 649 CB ASP A 82 26.338 15.461 -15.071 1.00 34.93 C +ANISOU 649 CB ASP A 82 4951 4404 3917 253 -183 -712 C +ATOM 650 CG ASP A 82 27.158 16.301 -14.106 1.00 37.73 C +ANISOU 650 CG ASP A 82 5150 4759 4428 277 -127 -698 C +ATOM 651 OD1 ASP A 82 27.848 15.726 -13.237 1.00 32.27 O +ANISOU 651 OD1 ASP A 82 4399 4034 3826 338 -131 -770 O +ATOM 652 OD2 ASP A 82 27.101 17.545 -14.211 1.00 36.36 O +ANISOU 652 OD2 ASP A 82 4916 4612 4289 233 -89 -613 O +ATOM 653 N PRO A 83 28.638 13.020 -14.217 1.00 36.37 N +ANISOU 653 N PRO A 83 5114 4504 4201 464 -104 -980 N +ATOM 654 CA PRO A 83 29.014 11.945 -13.298 1.00 35.99 C +ANISOU 654 CA PRO A 83 5060 4385 4230 542 -158 -1057 C +ATOM 655 C PRO A 83 28.422 12.107 -11.897 1.00 31.83 C +ANISOU 655 C PRO A 83 4473 3814 3805 518 -271 -1005 C +ATOM 656 O PRO A 83 28.415 11.153 -11.120 1.00 32.97 O +ANISOU 656 O PRO A 83 4647 3890 3990 564 -342 -1046 O +ATOM 657 CB PRO A 83 30.544 12.040 -13.244 1.00 38.74 C +ANISOU 657 CB PRO A 83 5292 4767 4662 632 -37 -1119 C +ATOM 658 CG PRO A 83 30.870 13.423 -13.699 1.00 39.54 C +ANISOU 658 CG PRO A 83 5296 4949 4777 577 62 -1049 C +ATOM 659 CD PRO A 83 29.807 13.775 -14.696 1.00 39.44 C +ANISOU 659 CD PRO A 83 5406 4961 4620 491 48 -984 C +ATOM 660 N ALA A 84 27.934 13.302 -11.580 1.00 29.00 N +ANISOU 660 N ALA A 84 4041 3493 3485 452 -282 -913 N +ATOM 661 CA ALA A 84 27.382 13.577 -10.249 1.00 30.07 C +ANISOU 661 CA ALA A 84 4121 3597 3707 434 -371 -865 C +ATOM 662 C ALA A 84 25.859 13.690 -10.256 1.00 31.29 C +ANISOU 662 C ALA A 84 4338 3740 3810 352 -457 -785 C +ATOM 663 O ALA A 84 25.245 13.891 -9.207 1.00 28.47 O +ANISOU 663 O ALA A 84 3944 3361 3511 335 -521 -740 O +ATOM 664 CB ALA A 84 27.992 14.850 -9.677 1.00 29.86 C +ANISOU 664 CB ALA A 84 3955 3607 3783 432 -324 -832 C +ATOM 665 N LYS A 85 25.253 13.549 -11.432 1.00 30.05 N +ANISOU 665 N LYS A 85 4272 3604 3543 303 -460 -769 N +ATOM 666 CA LYS A 85 23.800 13.619 -11.554 1.00 29.14 C +ANISOU 666 CA LYS A 85 4203 3486 3383 223 -551 -693 C +ATOM 667 C LYS A 85 23.234 12.267 -11.975 1.00 27.24 C +ANISOU 667 C LYS A 85 4091 3195 3063 202 -628 -740 C +ATOM 668 O LYS A 85 23.658 11.682 -12.977 1.00 33.35 O +ANISOU 668 O LYS A 85 4959 3968 3745 219 -597 -809 O +ATOM 669 CB LYS A 85 23.384 14.702 -12.561 1.00 28.66 C +ANISOU 669 CB LYS A 85 4140 3491 3260 170 -522 -617 C +ATOM 670 CG LYS A 85 23.826 16.105 -12.189 1.00 26.33 C +ANISOU 670 CG LYS A 85 3729 3226 3049 177 -453 -560 C +ATOM 671 CD LYS A 85 23.390 17.132 -13.222 1.00 28.84 C +ANISOU 671 CD LYS A 85 4062 3595 3303 128 -428 -473 C +ATOM 672 CE LYS A 85 23.647 18.546 -12.730 1.00 27.59 C +ANISOU 672 CE LYS A 85 3796 3442 3245 126 -376 -408 C +ATOM 673 NZ LYS A 85 23.237 19.579 -13.725 1.00 29.96 N +ANISOU 673 NZ LYS A 85 4117 3777 3487 84 -352 -309 N +ATOM 674 N PHE A 86 22.272 11.777 -11.201 1.00 28.93 N +ANISOU 674 N PHE A 86 4313 3364 3314 161 -723 -705 N +ATOM 675 CA PHE A 86 21.714 10.450 -11.414 1.00 28.17 C +ANISOU 675 CA PHE A 86 4335 3201 3170 128 -806 -746 C +ATOM 676 C PHE A 86 20.197 10.515 -11.453 1.00 31.49 C +ANISOU 676 C PHE A 86 4757 3630 3580 24 -907 -660 C +ATOM 677 O PHE A 86 19.598 11.481 -10.989 1.00 31.11 O +ANISOU 677 O PHE A 86 4607 3629 3584 -2 -910 -569 O +ATOM 678 CB PHE A 86 22.156 9.499 -10.298 1.00 30.98 C +ANISOU 678 CB PHE A 86 4700 3471 3598 183 -824 -792 C +ATOM 679 CG PHE A 86 23.642 9.333 -10.201 1.00 31.19 C +ANISOU 679 CG PHE A 86 4711 3488 3652 295 -740 -878 C +ATOM 680 CD1 PHE A 86 24.292 8.374 -10.958 1.00 34.52 C +ANISOU 680 CD1 PHE A 86 5236 3864 4015 346 -717 -979 C +ATOM 681 CD2 PHE A 86 24.392 10.139 -9.359 1.00 28.49 C +ANISOU 681 CD2 PHE A 86 4246 3182 3398 351 -687 -862 C +ATOM 682 CE1 PHE A 86 25.662 8.219 -10.878 1.00 34.39 C +ANISOU 682 CE1 PHE A 86 5185 3846 4037 458 -634 -1056 C +ATOM 683 CE2 PHE A 86 25.763 9.987 -9.276 1.00 30.30 C +ANISOU 683 CE2 PHE A 86 4438 3409 3665 451 -619 -938 C +ATOM 684 CZ PHE A 86 26.399 9.026 -10.037 1.00 33.25 C +ANISOU 684 CZ PHE A 86 4899 3744 3989 508 -589 -1032 C +ATOM 685 N LYS A 87 19.582 9.482 -12.017 1.00 28.76 N +ANISOU 685 N LYS A 87 4521 3234 3170 -35 -991 -693 N +ATOM 686 CA LYS A 87 18.184 9.197 -11.759 1.00 33.38 C +ANISOU 686 CA LYS A 87 5096 3806 3781 -137 -1100 -620 C +ATOM 687 C LYS A 87 18.054 8.050 -10.766 1.00 34.60 C +ANISOU 687 C LYS A 87 5287 3859 4002 -145 -1141 -640 C +ATOM 688 O LYS A 87 18.585 6.963 -10.989 1.00 38.24 O +ANISOU 688 O LYS A 87 5864 4233 4431 -119 -1153 -731 O +ATOM 689 CB LYS A 87 17.470 8.860 -13.065 1.00 38.01 C +ANISOU 689 CB LYS A 87 5779 4405 4258 -221 -1188 -634 C +ATOM 690 CG LYS A 87 17.557 9.961 -14.112 1.00 45.21 C +ANISOU 690 CG LYS A 87 6676 5416 5085 -215 -1154 -602 C +ATOM 691 CD LYS A 87 16.680 11.147 -13.739 1.00 57.05 C +ANISOU 691 CD LYS A 87 8035 6988 6652 -247 -1173 -471 C +ATOM 692 CE LYS A 87 15.321 10.695 -13.224 1.00 70.72 C +ANISOU 692 CE LYS A 87 9720 8700 8450 -339 -1287 -405 C +ATOM 693 NZ LYS A 87 14.384 11.835 -13.030 1.00 73.58 N +ANISOU 693 NZ LYS A 87 9946 9139 8871 -363 -1307 -280 N +ATOM 694 N MET A 88 17.350 8.299 -9.667 1.00 31.40 N +ANISOU 694 N MET A 88 4788 3459 3685 -175 -1156 -551 N +ATOM 695 CA MET A 88 17.206 7.301 -8.610 1.00 32.07 C +ANISOU 695 CA MET A 88 4903 3452 3831 -183 -1183 -546 C +ATOM 696 C MET A 88 15.808 6.704 -8.607 1.00 33.70 C +ANISOU 696 C MET A 88 5116 3629 4058 -315 -1281 -481 C +ATOM 697 O MET A 88 14.840 7.364 -8.228 1.00 33.28 O +ANISOU 697 O MET A 88 4950 3641 4053 -368 -1291 -381 O +ATOM 698 CB MET A 88 17.491 7.915 -7.237 1.00 30.56 C +ANISOU 698 CB MET A 88 4612 3284 3717 -119 -1119 -494 C +ATOM 699 CG MET A 88 17.336 6.917 -6.096 1.00 32.51 C +ANISOU 699 CG MET A 88 4900 3440 4011 -125 -1143 -474 C +ATOM 700 SD MET A 88 17.493 7.658 -4.462 1.00 30.83 S +ANISOU 700 SD MET A 88 4586 3266 3862 -58 -1078 -407 S +ATOM 701 CE MET A 88 15.938 8.543 -4.341 1.00 29.76 C +ANISOU 701 CE MET A 88 4329 3219 3760 -153 -1081 -287 C +ATOM 702 N LYS A 89 15.711 5.446 -9.024 1.00 37.98 N +ANISOU 702 N LYS A 89 5788 4069 4572 -366 -1351 -541 N +ATOM 703 CA LYS A 89 14.519 4.648 -8.775 1.00 37.76 C +ANISOU 703 CA LYS A 89 5772 3983 4590 -496 -1443 -484 C +ATOM 704 C LYS A 89 14.553 4.087 -7.363 1.00 33.71 C +ANISOU 704 C LYS A 89 5254 3398 4158 -481 -1412 -435 C +ATOM 705 O LYS A 89 15.543 3.485 -6.952 1.00 38.36 O +ANISOU 705 O LYS A 89 5929 3904 4744 -392 -1379 -497 O +ATOM 706 CB LYS A 89 14.424 3.507 -9.793 1.00 40.49 C +ANISOU 706 CB LYS A 89 6278 4231 4875 -565 -1538 -575 C +ATOM 707 CG LYS A 89 13.058 2.849 -9.860 1.00 43.84 C +ANISOU 707 CG LYS A 89 6700 4614 5343 -732 -1656 -516 C +ATOM 708 CD LYS A 89 13.017 1.780 -10.940 1.00 44.76 C +ANISOU 708 CD LYS A 89 6990 4628 5389 -801 -1760 -624 C +ATOM 709 CE LYS A 89 11.929 0.760 -10.667 1.00 50.36 C +ANISOU 709 CE LYS A 89 7725 5236 6173 -963 -1870 -580 C +ATOM 710 NZ LYS A 89 11.990 -0.369 -11.635 1.00 60.39 N +ANISOU 710 NZ LYS A 89 9190 6378 7378 -1025 -1975 -704 N +ATOM 711 N TYR A 90 13.474 4.290 -6.615 1.00 32.28 N +ANISOU 711 N TYR A 90 4969 3251 4047 -561 -1420 -319 N +ATOM 712 CA TYR A 90 13.439 3.855 -5.224 1.00 37.89 C +ANISOU 712 CA TYR A 90 5673 3907 4818 -548 -1378 -256 C +ATOM 713 C TYR A 90 12.111 3.191 -4.872 1.00 37.80 C +ANISOU 713 C TYR A 90 5633 3857 4871 -700 -1432 -160 C +ATOM 714 O TYR A 90 11.079 3.443 -5.504 1.00 34.78 O +ANISOU 714 O TYR A 90 5173 3534 4510 -808 -1491 -117 O +ATOM 715 CB TYR A 90 13.731 5.030 -4.280 1.00 38.00 C +ANISOU 715 CB TYR A 90 5568 4021 4850 -451 -1277 -205 C +ATOM 716 CG TYR A 90 12.617 6.047 -4.160 1.00 35.25 C +ANISOU 716 CG TYR A 90 5061 3789 4541 -505 -1258 -106 C +ATOM 717 CD1 TYR A 90 12.517 7.106 -5.052 1.00 35.03 C +ANISOU 717 CD1 TYR A 90 4959 3859 4490 -490 -1261 -115 C +ATOM 718 CD2 TYR A 90 11.668 5.954 -3.145 1.00 38.78 C +ANISOU 718 CD2 TYR A 90 5435 4250 5051 -564 -1230 3 C +ATOM 719 CE1 TYR A 90 11.501 8.038 -4.943 1.00 34.02 C +ANISOU 719 CE1 TYR A 90 4686 3831 4409 -524 -1247 -23 C +ATOM 720 CE2 TYR A 90 10.650 6.885 -3.028 1.00 38.66 C +ANISOU 720 CE2 TYR A 90 5265 4344 5082 -598 -1203 91 C +ATOM 721 CZ TYR A 90 10.572 7.924 -3.932 1.00 36.19 C +ANISOU 721 CZ TYR A 90 4878 4119 4753 -574 -1217 76 C +ATOM 722 OH TYR A 90 9.567 8.858 -3.824 1.00 38.02 O +ANISOU 722 OH TYR A 90 4956 4451 5039 -593 -1194 164 O +ATOM 723 N TRP A 91 12.155 2.325 -3.866 1.00 36.88 N +ANISOU 723 N TRP A 91 5579 3642 4792 -710 -1415 -120 N +ATOM 724 CA TRP A 91 10.961 1.680 -3.343 1.00 36.29 C +ANISOU 724 CA TRP A 91 5473 3526 4789 -856 -1443 -13 C +ATOM 725 C TRP A 91 11.238 1.156 -1.939 1.00 38.55 C +ANISOU 725 C TRP A 91 5809 3741 5096 -815 -1377 51 C +ATOM 726 O TRP A 91 12.384 1.136 -1.492 1.00 37.26 O +ANISOU 726 O TRP A 91 5723 3545 4891 -678 -1338 -3 O +ATOM 727 CB TRP A 91 10.536 0.527 -4.251 1.00 40.94 C +ANISOU 727 CB TRP A 91 6172 3995 5389 -988 -1564 -59 C +ATOM 728 CG TRP A 91 11.572 -0.545 -4.363 1.00 44.04 C +ANISOU 728 CG TRP A 91 6762 4225 5745 -926 -1591 -160 C +ATOM 729 CD1 TRP A 91 11.666 -1.678 -3.607 1.00 42.07 C +ANISOU 729 CD1 TRP A 91 6628 3822 5534 -951 -1598 -129 C +ATOM 730 CD2 TRP A 91 12.667 -0.583 -5.284 1.00 38.06 C +ANISOU 730 CD2 TRP A 91 6111 3439 4909 -818 -1607 -305 C +ATOM 731 NE1 TRP A 91 12.754 -2.420 -4.003 1.00 49.95 N +ANISOU 731 NE1 TRP A 91 7797 4693 6489 -857 -1625 -250 N +ATOM 732 CE2 TRP A 91 13.385 -1.768 -5.030 1.00 43.27 C +ANISOU 732 CE2 TRP A 91 6943 3927 5572 -773 -1625 -362 C +ATOM 733 CE3 TRP A 91 13.111 0.271 -6.299 1.00 42.29 C +ANISOU 733 CE3 TRP A 91 6616 4080 5374 -753 -1601 -386 C +ATOM 734 CZ2 TRP A 91 14.521 -2.121 -5.757 1.00 48.30 C +ANISOU 734 CZ2 TRP A 91 7708 4497 6147 -658 -1631 -505 C +ATOM 735 CZ3 TRP A 91 14.241 -0.081 -7.019 1.00 47.61 C +ANISOU 735 CZ3 TRP A 91 7419 4692 5977 -649 -1600 -522 C +ATOM 736 CH2 TRP A 91 14.932 -1.266 -6.744 1.00 47.75 C +ANISOU 736 CH2 TRP A 91 7596 4544 6005 -599 -1613 -585 C +ATOM 737 N GLY A 92 10.181 0.733 -1.252 1.00 38.20 N +ANISOU 737 N GLY A 92 5717 3680 5116 -936 -1365 172 N +ATOM 738 CA GLY A 92 10.318 0.103 0.055 1.00 40.91 C +ANISOU 738 CA GLY A 92 6128 3946 5469 -918 -1307 250 C +ATOM 739 C GLY A 92 10.324 -1.412 -0.028 1.00 43.82 C +ANISOU 739 C GLY A 92 6662 4121 5866 -1007 -1382 245 C +ATOM 740 O GLY A 92 9.738 -2.004 -0.938 1.00 38.09 O +ANISOU 740 O GLY A 92 5961 3332 5179 -1139 -1476 219 O +ATOM 741 N VAL A 93 10.985 -2.047 0.932 1.00 40.42 N +ANISOU 741 N VAL A 93 6353 3590 5415 -933 -1349 272 N +ATOM 742 CA VAL A 93 10.962 -3.501 1.034 1.00 41.56 C +ANISOU 742 CA VAL A 93 6664 3533 5595 -1012 -1410 290 C +ATOM 743 C VAL A 93 9.539 -4.007 1.268 1.00 54.99 C +ANISOU 743 C VAL A 93 8305 5206 7381 -1223 -1415 422 C +ATOM 744 O VAL A 93 9.199 -5.135 0.911 1.00 66.07 O +ANISOU 744 O VAL A 93 9817 6448 8839 -1350 -1496 423 O +ATOM 745 CB VAL A 93 11.871 -3.987 2.176 1.00 48.58 C +ANISOU 745 CB VAL A 93 7681 4332 6445 -884 -1368 323 C +ATOM 746 CG1 VAL A 93 13.321 -3.632 1.885 1.00 48.45 C +ANISOU 746 CG1 VAL A 93 7717 4327 6363 -684 -1379 187 C +ATOM 747 CG2 VAL A 93 11.428 -3.386 3.501 1.00 62.87 C +ANISOU 747 CG2 VAL A 93 9399 6254 8236 -872 -1256 462 C +ATOM 748 N ALA A 94 8.715 -3.158 1.875 1.00 56.44 N +ANISOU 748 N ALA A 94 8314 5547 7584 -1259 -1324 531 N +ATOM 749 CA ALA A 94 7.278 -3.389 1.944 1.00 63.32 C +ANISOU 749 CA ALA A 94 9067 6440 8551 -1460 -1319 653 C +ATOM 750 C ALA A 94 6.559 -2.677 0.799 1.00 54.57 C +ANISOU 750 C ALA A 94 7799 5453 7482 -1535 -1383 608 C +ATOM 751 O ALA A 94 6.899 -1.544 0.451 1.00 56.51 O +ANISOU 751 O ALA A 94 7956 5837 7678 -1418 -1359 547 O +ATOM 752 CB ALA A 94 6.735 -2.917 3.284 1.00 79.77 C +ANISOU 752 CB ALA A 94 11047 8627 10635 -1452 -1173 804 C +ATOM 753 N SER A 95 5.565 -3.346 0.224 1.00 61.43 N +ANISOU 753 N SER A 95 8634 6264 8443 -1734 -1471 642 N +ATOM 754 CA SER A 95 4.953 -2.900 -1.024 1.00 56.03 C +ANISOU 754 CA SER A 95 7837 5663 7789 -1815 -1575 584 C +ATOM 755 C SER A 95 4.295 -1.537 -0.855 1.00 56.32 C +ANISOU 755 C SER A 95 7635 5919 7844 -1777 -1496 652 C +ATOM 756 O SER A 95 4.163 -0.780 -1.817 1.00 72.62 O +ANISOU 756 O SER A 95 9613 8086 9894 -1756 -1560 590 O +ATOM 757 CB SER A 95 3.910 -3.915 -1.509 1.00 79.12 C +ANISOU 757 CB SER A 95 10757 8484 10822 -2054 -1691 625 C +ATOM 758 OG SER A 95 4.119 -5.196 -0.935 1.00122.86 O +ANISOU 758 OG SER A 95 16471 13820 16389 -2121 -1694 658 O +ATOM 759 N PHE A 96 3.880 -1.229 0.370 1.00 63.44 N +ANISOU 759 N PHE A 96 8439 6890 8775 -1761 -1354 782 N +ATOM 760 CA PHE A 96 2.998 -0.091 0.615 1.00 61.38 C +ANISOU 760 CA PHE A 96 7938 6821 8561 -1753 -1271 866 C +ATOM 761 C PHE A 96 3.787 1.186 0.876 1.00 59.91 C +ANISOU 761 C PHE A 96 7728 6753 8283 -1539 -1182 811 C +ATOM 762 O PHE A 96 3.231 2.283 0.850 1.00 57.56 O +ANISOU 762 O PHE A 96 7250 6607 8012 -1498 -1131 847 O +ATOM 763 CB PHE A 96 2.071 -0.375 1.798 1.00 77.90 C +ANISOU 763 CB PHE A 96 9931 8938 10732 -1847 -1145 1034 C +ATOM 764 CG PHE A 96 2.795 -0.651 3.085 1.00 65.64 C +ANISOU 764 CG PHE A 96 8518 7326 9098 -1744 -1020 1074 C +ATOM 765 CD1 PHE A 96 3.245 0.388 3.879 1.00 70.73 C +ANISOU 765 CD1 PHE A 96 9127 8086 9661 -1567 -890 1076 C +ATOM 766 CD2 PHE A 96 3.017 -1.952 3.504 1.00 72.15 C +ANISOU 766 CD2 PHE A 96 9516 7972 9927 -1827 -1040 1112 C +ATOM 767 CE1 PHE A 96 3.908 0.137 5.065 1.00 76.29 C +ANISOU 767 CE1 PHE A 96 9967 8742 10278 -1473 -791 1111 C +ATOM 768 CE2 PHE A 96 3.679 -2.211 4.688 1.00 95.71 C +ANISOU 768 CE2 PHE A 96 12635 10903 12828 -1728 -937 1159 C +ATOM 769 CZ PHE A 96 4.125 -1.164 5.471 1.00 80.23 C +ANISOU 769 CZ PHE A 96 10637 9072 10776 -1551 -816 1157 C +ATOM 770 N LEU A 97 5.084 1.041 1.129 1.00 57.25 N +ANISOU 770 N LEU A 97 7568 6338 7844 -1402 -1169 725 N +ATOM 771 CA LEU A 97 5.967 2.194 1.249 1.00 52.70 C +ANISOU 771 CA LEU A 97 6983 5855 7184 -1211 -1109 653 C +ATOM 772 C LEU A 97 6.026 2.961 -0.068 1.00 43.71 C +ANISOU 772 C LEU A 97 5779 4789 6038 -1188 -1195 564 C +ATOM 773 O LEU A 97 5.795 2.396 -1.138 1.00 41.40 O +ANISOU 773 O LEU A 97 5522 4443 5766 -1290 -1320 517 O +ATOM 774 CB LEU A 97 7.370 1.751 1.668 1.00 49.48 C +ANISOU 774 CB LEU A 97 6774 5342 6686 -1085 -1102 573 C +ATOM 775 CG LEU A 97 7.470 1.178 3.084 1.00 55.47 C +ANISOU 775 CG LEU A 97 7610 6041 7423 -1069 -1012 665 C +ATOM 776 CD1 LEU A 97 8.876 0.666 3.360 1.00 47.96 C +ANISOU 776 CD1 LEU A 97 6853 4979 6392 -943 -1038 582 C +ATOM 777 CD2 LEU A 97 7.063 2.227 4.111 1.00 49.91 C +ANISOU 777 CD2 LEU A 97 6779 5483 6702 -999 -870 744 C +ATOM 778 N GLN A 98 6.327 4.253 0.023 1.00 51.04 N +ANISOU 778 N GLN A 98 6624 5837 6932 -1055 -1128 542 N +ATOM 779 CA GLN A 98 6.423 5.116 -1.148 1.00 43.51 C +ANISOU 779 CA GLN A 98 5611 4958 5962 -1018 -1193 474 C +ATOM 780 C GLN A 98 7.407 4.552 -2.172 1.00 43.94 C +ANISOU 780 C GLN A 98 5831 4918 5947 -1002 -1294 345 C +ATOM 781 O GLN A 98 8.503 4.117 -1.821 1.00 45.65 O +ANISOU 781 O GLN A 98 6190 5051 6106 -918 -1272 279 O +ATOM 782 CB GLN A 98 6.863 6.519 -0.721 1.00 46.57 C +ANISOU 782 CB GLN A 98 5926 5452 6315 -861 -1092 463 C +ATOM 783 CG GLN A 98 6.922 7.531 -1.852 1.00 51.21 C +ANISOU 783 CG GLN A 98 6448 6119 6890 -819 -1144 414 C +ATOM 784 CD GLN A 98 7.212 8.936 -1.359 1.00 46.16 C +ANISOU 784 CD GLN A 98 5729 5571 6239 -679 -1041 417 C +ATOM 785 OE1 GLN A 98 8.270 9.497 -1.639 1.00 47.83 O +ANISOU 785 OE1 GLN A 98 6006 5777 6388 -576 -1032 333 O +ATOM 786 NE2 GLN A 98 6.269 9.509 -0.616 1.00 64.17 N +ANISOU 786 NE2 GLN A 98 7867 7932 8583 -677 -959 512 N +ATOM 787 N LYS A 99 7.010 4.567 -3.440 1.00 41.11 N +ANISOU 787 N LYS A 99 5451 4578 5590 -1076 -1407 309 N +ATOM 788 CA LYS A 99 7.952 4.350 -4.534 1.00 41.69 C +ANISOU 788 CA LYS A 99 5666 4598 5577 -1034 -1482 178 C +ATOM 789 C LYS A 99 7.976 5.541 -5.481 1.00 45.84 C +ANISOU 789 C LYS A 99 6114 5240 6064 -978 -1502 152 C +ATOM 790 O LYS A 99 7.046 6.352 -5.503 1.00 40.37 O +ANISOU 790 O LYS A 99 5259 4655 5425 -1005 -1498 237 O +ATOM 791 CB LYS A 99 7.589 3.082 -5.307 1.00 50.29 C +ANISOU 791 CB LYS A 99 6861 5573 6673 -1177 -1614 139 C +ATOM 792 CG LYS A 99 7.002 1.980 -4.438 1.00 84.69 C +ANISOU 792 CG LYS A 99 11241 9828 11109 -1292 -1612 215 C +ATOM 793 CD LYS A 99 6.710 0.726 -5.247 1.00 95.80 C +ANISOU 793 CD LYS A 99 12772 11102 12527 -1438 -1752 161 C +ATOM 794 CE LYS A 99 6.321 1.065 -6.677 1.00 76.08 C +ANISOU 794 CE LYS A 99 10249 8667 9992 -1495 -1878 101 C +ATOM 795 NZ LYS A 99 5.081 1.885 -6.742 1.00 93.98 N +ANISOU 795 NZ LYS A 99 12292 11082 12336 -1570 -1898 212 N +ATOM 796 N GLY A 100 9.042 5.643 -6.268 1.00 37.73 N +ANISOU 796 N GLY A 100 5202 4189 4943 -898 -1517 41 N +ATOM 797 CA GLY A 100 9.109 6.651 -7.315 1.00 48.29 C +ANISOU 797 CA GLY A 100 6497 5623 6229 -858 -1544 17 C +ATOM 798 C GLY A 100 10.461 6.748 -7.993 1.00 43.24 C +ANISOU 798 C GLY A 100 5989 4956 5486 -755 -1522 -102 C +ATOM 799 O GLY A 100 11.289 5.844 -7.899 1.00 37.82 O +ANISOU 799 O GLY A 100 5438 4166 4765 -727 -1516 -185 O +ATOM 800 N ASN A 101 10.675 7.861 -8.687 1.00 36.76 N +ANISOU 800 N ASN A 101 5121 4227 4618 -696 -1505 -106 N +ATOM 801 CA ASN A 101 11.927 8.114 -9.372 1.00 33.48 C +ANISOU 801 CA ASN A 101 4806 3806 4109 -600 -1465 -205 C +ATOM 802 C ASN A 101 12.283 9.591 -9.287 1.00 34.59 C +ANISOU 802 C ASN A 101 4847 4041 4253 -505 -1378 -167 C +ATOM 803 O ASN A 101 11.567 10.443 -9.817 1.00 37.52 O +ANISOU 803 O ASN A 101 5135 4495 4627 -529 -1411 -100 O +ATOM 804 CB ASN A 101 11.847 7.692 -10.838 1.00 42.30 C +ANISOU 804 CB ASN A 101 6031 4916 5125 -660 -1566 -270 C +ATOM 805 CG ASN A 101 13.209 7.649 -11.505 1.00 55.32 C +ANISOU 805 CG ASN A 101 7805 6541 6672 -564 -1508 -385 C +ATOM 806 OD1 ASN A 101 13.897 8.664 -11.602 1.00 75.76 O +ANISOU 806 OD1 ASN A 101 10352 9195 9239 -474 -1420 -382 O +ATOM 807 ND2 ASN A 101 13.606 6.468 -11.967 1.00 69.86 N +ANISOU 807 ND2 ASN A 101 9801 8285 8456 -584 -1551 -487 N +ATOM 808 N ASP A 102 13.390 9.884 -8.613 1.00 32.82 N +ANISOU 808 N ASP A 102 4635 3800 4035 -399 -1276 -210 N +ATOM 809 CA ASP A 102 13.820 11.258 -8.380 1.00 30.18 C +ANISOU 809 CA ASP A 102 4213 3534 3718 -313 -1190 -182 C +ATOM 810 C ASP A 102 15.189 11.494 -8.997 1.00 28.13 C +ANISOU 810 C ASP A 102 4026 3269 3391 -234 -1134 -271 C +ATOM 811 O ASP A 102 16.051 10.618 -8.968 1.00 30.20 O +ANISOU 811 O ASP A 102 4382 3467 3626 -202 -1121 -358 O +ATOM 812 CB ASP A 102 13.923 11.548 -6.885 1.00 30.10 C +ANISOU 812 CB ASP A 102 4133 3516 3786 -258 -1116 -149 C +ATOM 813 CG ASP A 102 12.580 11.580 -6.187 1.00 30.04 C +ANISOU 813 CG ASP A 102 4028 3536 3851 -320 -1135 -47 C +ATOM 814 OD1 ASP A 102 11.540 11.798 -6.850 1.00 32.68 O +ANISOU 814 OD1 ASP A 102 4302 3919 4198 -390 -1198 14 O +ATOM 815 OD2 ASP A 102 12.580 11.389 -4.948 1.00 29.10 O +ANISOU 815 OD2 ASP A 102 3888 3393 3774 -294 -1083 -27 O +ATOM 816 N ASP A 103 15.406 12.701 -9.510 1.00 28.29 N +ANISOU 816 N ASP A 103 3997 3356 3397 -199 -1091 -245 N +ATOM 817 CA ASP A 103 16.751 13.194 -9.727 1.00 30.40 C +ANISOU 817 CA ASP A 103 4286 3626 3637 -117 -1004 -308 C +ATOM 818 C ASP A 103 17.545 13.056 -8.436 1.00 28.06 C +ANISOU 818 C ASP A 103 3963 3289 3408 -48 -944 -346 C +ATOM 819 O ASP A 103 17.020 13.256 -7.341 1.00 27.69 O +ANISOU 819 O ASP A 103 3852 3241 3429 -46 -941 -295 O +ATOM 820 CB ASP A 103 16.731 14.660 -10.167 1.00 33.30 C +ANISOU 820 CB ASP A 103 4584 4061 4009 -97 -960 -246 C +ATOM 821 CG ASP A 103 16.300 14.834 -11.613 1.00 35.69 C +ANISOU 821 CG ASP A 103 4939 4407 4216 -145 -1012 -219 C +ATOM 822 OD1 ASP A 103 16.036 13.820 -12.300 1.00 41.28 O +ANISOU 822 OD1 ASP A 103 5740 5096 4847 -197 -1085 -261 O +ATOM 823 OD2 ASP A 103 16.224 15.995 -12.064 1.00 44.67 O +ANISOU 823 OD2 ASP A 103 6032 5590 5348 -131 -985 -156 O +ATOM 824 N HIS A 104 18.815 12.706 -8.571 1.00 26.07 N +ANISOU 824 N HIS A 104 3763 3010 3134 14 -896 -435 N +ATOM 825 CA HIS A 104 19.689 12.586 -7.421 1.00 25.89 C +ANISOU 825 CA HIS A 104 3714 2953 3171 87 -854 -475 C +ATOM 826 C HIS A 104 21.045 13.174 -7.755 1.00 25.59 C +ANISOU 826 C HIS A 104 3651 2937 3134 156 -775 -535 C +ATOM 827 O HIS A 104 21.823 12.576 -8.503 1.00 28.43 O +ANISOU 827 O HIS A 104 4074 3282 3447 183 -753 -608 O +ATOM 828 CB HIS A 104 19.828 11.122 -7.019 1.00 26.18 C +ANISOU 828 CB HIS A 104 3839 2909 3201 93 -898 -525 C +ATOM 829 CG HIS A 104 20.583 10.910 -5.742 1.00 29.43 C +ANISOU 829 CG HIS A 104 4231 3284 3667 169 -878 -551 C +ATOM 830 ND1 HIS A 104 19.954 10.649 -4.544 1.00 27.05 N +ANISOU 830 ND1 HIS A 104 3918 2957 3401 156 -906 -496 N +ATOM 831 CD2 HIS A 104 21.912 10.908 -5.477 1.00 30.41 C +ANISOU 831 CD2 HIS A 104 4344 3397 3813 259 -838 -622 C +ATOM 832 CE1 HIS A 104 20.862 10.494 -3.596 1.00 26.35 C +ANISOU 832 CE1 HIS A 104 3829 2843 3342 236 -891 -533 C +ATOM 833 NE2 HIS A 104 22.058 10.647 -4.136 1.00 28.16 N +ANISOU 833 NE2 HIS A 104 4049 3080 3570 299 -857 -610 N +ATOM 834 N TRP A 105 21.308 14.363 -7.217 1.00 22.94 N +ANISOU 834 N TRP A 105 3224 2636 2858 181 -728 -505 N +ATOM 835 CA TRP A 105 22.539 15.082 -7.504 1.00 24.04 C +ANISOU 835 CA TRP A 105 3317 2798 3018 227 -651 -548 C +ATOM 836 C TRP A 105 23.441 15.066 -6.280 1.00 25.65 C +ANISOU 836 C TRP A 105 3471 2978 3296 294 -641 -596 C +ATOM 837 O TRP A 105 23.007 15.386 -5.171 1.00 23.44 O +ANISOU 837 O TRP A 105 3158 2689 3059 298 -667 -564 O +ATOM 838 CB TRP A 105 22.245 16.528 -7.895 1.00 24.51 C +ANISOU 838 CB TRP A 105 3315 2903 3095 199 -612 -479 C +ATOM 839 CG TRP A 105 21.511 16.675 -9.182 1.00 25.39 C +ANISOU 839 CG TRP A 105 3473 3047 3127 143 -626 -428 C +ATOM 840 CD1 TRP A 105 20.997 15.676 -9.950 1.00 26.11 C +ANISOU 840 CD1 TRP A 105 3655 3134 3133 108 -680 -441 C +ATOM 841 CD2 TRP A 105 21.216 17.901 -9.867 1.00 23.75 C +ANISOU 841 CD2 TRP A 105 3235 2876 2912 117 -597 -353 C +ATOM 842 NE1 TRP A 105 20.393 16.201 -11.070 1.00 27.56 N +ANISOU 842 NE1 TRP A 105 3864 3360 3247 61 -693 -381 N +ATOM 843 CE2 TRP A 105 20.517 17.564 -11.043 1.00 28.34 C +ANISOU 843 CE2 TRP A 105 3890 3484 3392 69 -640 -320 C +ATOM 844 CE3 TRP A 105 21.464 19.251 -9.594 1.00 24.51 C +ANISOU 844 CE3 TRP A 105 3257 2977 3078 128 -545 -310 C +ATOM 845 CZ2 TRP A 105 20.074 18.526 -11.947 1.00 30.37 C +ANISOU 845 CZ2 TRP A 105 4148 3780 3611 40 -635 -237 C +ATOM 846 CZ3 TRP A 105 21.036 20.198 -10.496 1.00 26.99 C +ANISOU 846 CZ3 TRP A 105 3575 3317 3364 97 -531 -228 C +ATOM 847 CH2 TRP A 105 20.338 19.834 -11.654 1.00 31.01 C +ANISOU 847 CH2 TRP A 105 4156 3860 3766 57 -577 -187 C +ATOM 848 N ILE A 106 24.699 14.689 -6.485 1.00 24.03 N +ANISOU 848 N ILE A 106 3260 2767 3102 349 -604 -674 N +ATOM 849 CA ILE A 106 25.737 14.930 -5.500 1.00 23.10 C +ANISOU 849 CA ILE A 106 3070 2644 3064 412 -595 -719 C +ATOM 850 C ILE A 106 26.341 16.312 -5.710 1.00 24.33 C +ANISOU 850 C ILE A 106 3130 2841 3275 399 -530 -710 C +ATOM 851 O ILE A 106 27.203 16.507 -6.561 1.00 26.74 O +ANISOU 851 O ILE A 106 3404 3173 3584 406 -460 -741 O +ATOM 852 CB ILE A 106 26.851 13.873 -5.577 1.00 27.64 C +ANISOU 852 CB ILE A 106 3662 3194 3647 487 -590 -806 C +ATOM 853 CG1 ILE A 106 26.250 12.470 -5.547 1.00 30.10 C +ANISOU 853 CG1 ILE A 106 4090 3445 3903 493 -652 -815 C +ATOM 854 CG2 ILE A 106 27.827 14.051 -4.423 1.00 28.66 C +ANISOU 854 CG2 ILE A 106 3711 3319 3860 552 -611 -846 C +ATOM 855 CD1 ILE A 106 25.387 12.208 -4.334 1.00 37.63 C +ANISOU 855 CD1 ILE A 106 5070 4363 4865 476 -725 -763 C +ATOM 856 N VAL A 107 25.866 17.275 -4.935 1.00 24.60 N +ANISOU 856 N VAL A 107 3121 2874 3351 377 -546 -667 N +ATOM 857 CA VAL A 107 26.229 18.663 -5.138 1.00 23.82 C +ANISOU 857 CA VAL A 107 2948 2795 3309 351 -492 -646 C +ATOM 858 C VAL A 107 27.672 18.885 -4.711 1.00 26.28 C +ANISOU 858 C VAL A 107 3173 3109 3702 388 -471 -718 C +ATOM 859 O VAL A 107 28.436 19.553 -5.403 1.00 26.52 O +ANISOU 859 O VAL A 107 3144 3162 3772 367 -401 -723 O +ATOM 860 CB VAL A 107 25.292 19.589 -4.344 1.00 23.18 C +ANISOU 860 CB VAL A 107 2855 2698 3254 329 -519 -591 C +ATOM 861 CG1 VAL A 107 25.804 21.022 -4.354 1.00 23.20 C +ANISOU 861 CG1 VAL A 107 2786 2695 3333 308 -472 -584 C +ATOM 862 CG2 VAL A 107 23.883 19.507 -4.910 1.00 27.14 C +ANISOU 862 CG2 VAL A 107 3410 3208 3693 289 -533 -510 C +ATOM 863 N ASP A 108 28.043 18.301 -3.576 1.00 24.59 N +ANISOU 863 N ASP A 108 2953 2876 3515 442 -536 -768 N +ATOM 864 CA ASP A 108 29.430 18.319 -3.124 1.00 24.87 C +ANISOU 864 CA ASP A 108 2900 2919 3630 487 -541 -841 C +ATOM 865 C ASP A 108 29.693 17.184 -2.153 1.00 24.67 C +ANISOU 865 C ASP A 108 2907 2870 3595 562 -625 -885 C +ATOM 866 O ASP A 108 28.781 16.702 -1.476 1.00 26.50 O +ANISOU 866 O ASP A 108 3222 3076 3772 568 -681 -854 O +ATOM 867 CB ASP A 108 29.756 19.659 -2.465 1.00 25.06 C +ANISOU 867 CB ASP A 108 2846 2938 3737 456 -547 -845 C +ATOM 868 CG ASP A 108 31.252 19.893 -2.299 1.00 31.48 C +ANISOU 868 CG ASP A 108 3539 3769 4652 475 -542 -913 C +ATOM 869 OD1 ASP A 108 32.064 19.246 -2.998 1.00 32.28 O +ANISOU 869 OD1 ASP A 108 3599 3899 4768 506 -497 -945 O +ATOM 870 OD2 ASP A 108 31.616 20.747 -1.460 1.00 34.64 O +ANISOU 870 OD2 ASP A 108 3883 4156 5123 458 -585 -939 O +ATOM 871 N THR A 109 30.950 16.754 -2.096 1.00 27.63 N +ANISOU 871 N THR A 109 3213 3258 4029 621 -630 -951 N +ATOM 872 CA THR A 109 31.399 15.821 -1.077 1.00 25.31 C +ANISOU 872 CA THR A 109 2934 2940 3743 704 -722 -992 C +ATOM 873 C THR A 109 32.920 15.824 -1.027 1.00 28.56 C +ANISOU 873 C THR A 109 3216 3380 4256 760 -724 -1063 C +ATOM 874 O THR A 109 33.579 16.183 -2.004 1.00 31.26 O +ANISOU 874 O THR A 109 3474 3758 4646 741 -632 -1080 O +ATOM 875 CB THR A 109 30.899 14.389 -1.360 1.00 26.33 C +ANISOU 875 CB THR A 109 3180 3029 3796 745 -739 -984 C +ATOM 876 OG1 THR A 109 31.296 13.517 -0.294 1.00 26.25 O +ANISOU 876 OG1 THR A 109 3197 2985 3793 828 -833 -1009 O +ATOM 877 CG2 THR A 109 31.459 13.866 -2.672 1.00 31.75 C +ANISOU 877 CG2 THR A 109 3854 3728 4481 767 -657 -1020 C +ATOM 878 N ASP A 110 33.472 15.427 0.114 1.00 27.25 N +ANISOU 878 N ASP A 110 3031 3203 4122 828 -828 -1098 N +ATOM 879 CA ASP A 110 34.883 15.078 0.198 1.00 30.08 C +ANISOU 879 CA ASP A 110 3267 3585 4576 906 -852 -1163 C +ATOM 880 C ASP A 110 35.082 13.593 0.519 1.00 30.60 C +ANISOU 880 C ASP A 110 3403 3612 4613 1019 -917 -1181 C +ATOM 881 O ASP A 110 36.195 13.152 0.813 1.00 34.85 O +ANISOU 881 O ASP A 110 3849 4161 5229 1109 -964 -1231 O +ATOM 882 CB ASP A 110 35.572 15.953 1.247 1.00 31.55 C +ANISOU 882 CB ASP A 110 3350 3795 4844 896 -939 -1196 C +ATOM 883 CG ASP A 110 35.100 15.662 2.654 1.00 32.13 C +ANISOU 883 CG ASP A 110 3521 3835 4851 932 -1072 -1186 C +ATOM 884 OD1 ASP A 110 34.146 14.872 2.811 1.00 28.98 O +ANISOU 884 OD1 ASP A 110 3266 3396 4349 951 -1081 -1140 O +ATOM 885 OD2 ASP A 110 35.697 16.217 3.608 1.00 34.04 O +ANISOU 885 OD2 ASP A 110 3699 4093 5142 938 -1167 -1223 O +ATOM 886 N TYR A 111 33.988 12.838 0.466 1.00 30.18 N +ANISOU 886 N TYR A 111 3507 3505 4455 1013 -922 -1136 N +ATOM 887 CA TYR A 111 34.019 11.380 0.442 1.00 32.01 C +ANISOU 887 CA TYR A 111 3831 3676 4653 1103 -955 -1145 C +ATOM 888 C TYR A 111 34.208 10.769 1.831 1.00 30.86 C +ANISOU 888 C TYR A 111 3731 3493 4502 1182 -1092 -1137 C +ATOM 889 O TYR A 111 33.571 9.763 2.163 1.00 35.02 O +ANISOU 889 O TYR A 111 4398 3949 4960 1210 -1136 -1100 O +ATOM 890 CB TYR A 111 35.107 10.879 -0.511 1.00 32.94 C +ANISOU 890 CB TYR A 111 3866 3810 4840 1180 -886 -1211 C +ATOM 891 CG TYR A 111 34.846 11.242 -1.952 1.00 31.62 C +ANISOU 891 CG TYR A 111 3697 3673 4644 1113 -747 -1213 C +ATOM 892 CD1 TYR A 111 33.794 10.667 -2.649 1.00 32.37 C +ANISOU 892 CD1 TYR A 111 3942 3723 4636 1072 -713 -1185 C +ATOM 893 CD2 TYR A 111 35.642 12.166 -2.614 1.00 32.06 C +ANISOU 893 CD2 TYR A 111 3605 3804 4774 1083 -653 -1238 C +ATOM 894 CE1 TYR A 111 33.542 11.001 -3.967 1.00 32.12 C +ANISOU 894 CE1 TYR A 111 3922 3722 4559 1012 -599 -1185 C +ATOM 895 CE2 TYR A 111 35.401 12.504 -3.933 1.00 34.28 C +ANISOU 895 CE2 TYR A 111 3899 4115 5011 1023 -523 -1230 C +ATOM 896 CZ TYR A 111 34.351 11.917 -4.606 1.00 31.16 C +ANISOU 896 CZ TYR A 111 3664 3677 4497 992 -501 -1205 C +ATOM 897 OH TYR A 111 34.095 12.241 -5.919 1.00 34.81 O +ANISOU 897 OH TYR A 111 4154 4173 4897 935 -385 -1196 O +ATOM 898 N ASP A 112 35.081 11.368 2.639 1.00 33.19 N +ANISOU 898 N ASP A 112 3913 3831 4866 1213 -1165 -1168 N +ATOM 899 CA ASP A 112 35.400 10.800 3.947 1.00 33.91 C +ANISOU 899 CA ASP A 112 4044 3896 4945 1298 -1307 -1163 C +ATOM 900 C ASP A 112 34.858 11.603 5.128 1.00 31.52 C +ANISOU 900 C ASP A 112 3784 3610 4582 1244 -1381 -1133 C +ATOM 901 O ASP A 112 35.075 11.230 6.282 1.00 33.62 O +ANISOU 901 O ASP A 112 4098 3860 4814 1308 -1503 -1123 O +ATOM 902 CB ASP A 112 36.907 10.584 4.097 1.00 38.64 C +ANISOU 902 CB ASP A 112 4494 4526 5664 1406 -1369 -1228 C +ATOM 903 CG ASP A 112 37.701 11.876 4.095 1.00 38.62 C +ANISOU 903 CG ASP A 112 4307 4606 5762 1353 -1363 -1275 C +ATOM 904 OD1 ASP A 112 37.100 12.966 4.129 1.00 46.68 O +ANISOU 904 OD1 ASP A 112 5333 5648 6754 1240 -1326 -1258 O +ATOM 905 OD2 ASP A 112 38.948 11.792 4.074 1.00 56.30 O +ANISOU 905 OD2 ASP A 112 6390 6883 8119 1426 -1398 -1328 O +ATOM 906 N THR A 113 34.134 12.688 4.853 1.00 29.98 N +ANISOU 906 N THR A 113 3584 3443 4366 1133 -1307 -1116 N +ATOM 907 CA THR A 113 33.599 13.522 5.926 1.00 28.39 C +ANISOU 907 CA THR A 113 3426 3254 4106 1087 -1360 -1099 C +ATOM 908 C THR A 113 32.144 13.937 5.704 1.00 27.41 C +ANISOU 908 C THR A 113 3399 3117 3899 996 -1275 -1036 C +ATOM 909 O THR A 113 31.283 13.637 6.536 1.00 29.74 O +ANISOU 909 O THR A 113 3816 3389 4097 997 -1305 -985 O +ATOM 910 CB THR A 113 34.451 14.787 6.132 1.00 31.13 C +ANISOU 910 CB THR A 113 3631 3654 4545 1052 -1388 -1163 C +ATOM 911 OG1 THR A 113 35.827 14.415 6.282 1.00 33.75 O +ANISOU 911 OG1 THR A 113 3844 4008 4972 1133 -1469 -1220 O +ATOM 912 CG2 THR A 113 34.003 15.539 7.378 1.00 34.40 C +ANISOU 912 CG2 THR A 113 4112 4071 4889 1026 -1462 -1163 C +ATOM 913 N TYR A 114 31.872 14.633 4.599 1.00 29.38 N +ANISOU 913 N TYR A 114 3591 3385 4188 921 -1167 -1034 N +ATOM 914 CA TYR A 114 30.549 15.224 4.369 1.00 27.34 C +ANISOU 914 CA TYR A 114 3396 3123 3870 837 -1095 -975 C +ATOM 915 C TYR A 114 30.056 14.947 2.954 1.00 25.13 C +ANISOU 915 C TYR A 114 3121 2838 3589 792 -997 -945 C +ATOM 916 O TYR A 114 30.844 14.706 2.034 1.00 27.04 O +ANISOU 916 O TYR A 114 3298 3091 3886 809 -959 -981 O +ATOM 917 CB TYR A 114 30.573 16.738 4.612 1.00 28.26 C +ANISOU 917 CB TYR A 114 3446 3265 4026 781 -1079 -998 C +ATOM 918 CG TYR A 114 31.243 17.520 3.503 1.00 26.51 C +ANISOU 918 CG TYR A 114 3103 3067 3904 734 -1007 -1027 C +ATOM 919 CD1 TYR A 114 30.523 17.964 2.405 1.00 24.70 C +ANISOU 919 CD1 TYR A 114 2877 2839 3668 666 -904 -980 C +ATOM 920 CD2 TYR A 114 32.597 17.810 3.552 1.00 29.81 C +ANISOU 920 CD2 TYR A 114 3398 3508 4422 754 -1043 -1095 C +ATOM 921 CE1 TYR A 114 31.133 18.671 1.387 1.00 27.97 C +ANISOU 921 CE1 TYR A 114 3193 3274 4160 621 -831 -994 C +ATOM 922 CE2 TYR A 114 33.214 18.515 2.536 1.00 30.31 C +ANISOU 922 CE2 TYR A 114 3346 3594 4577 703 -962 -1111 C +ATOM 923 CZ TYR A 114 32.480 18.942 1.456 1.00 31.64 C +ANISOU 923 CZ TYR A 114 3537 3761 4725 637 -852 -1058 C +ATOM 924 OH TYR A 114 33.104 19.646 0.447 1.00 34.13 O +ANISOU 924 OH TYR A 114 3749 4098 5120 584 -764 -1062 O +ATOM 925 N ALA A 115 28.740 14.991 2.780 1.00 23.41 N +ANISOU 925 N ALA A 115 2981 2609 3307 735 -956 -878 N +ATOM 926 CA ALA A 115 28.150 15.036 1.452 1.00 27.34 C +ANISOU 926 CA ALA A 115 3480 3111 3796 675 -874 -846 C +ATOM 927 C ALA A 115 26.922 15.922 1.467 1.00 22.58 C +ANISOU 927 C ALA A 115 2895 2521 3165 606 -835 -783 C +ATOM 928 O ALA A 115 26.177 15.944 2.443 1.00 24.76 O +ANISOU 928 O ALA A 115 3222 2788 3398 607 -862 -748 O +ATOM 929 CB ALA A 115 27.776 13.639 0.985 1.00 25.39 C +ANISOU 929 CB ALA A 115 3324 2824 3500 690 -883 -827 C +ATOM 930 N VAL A 116 26.706 16.629 0.363 1.00 23.91 N +ANISOU 930 N VAL A 116 3022 2710 3354 551 -767 -765 N +ATOM 931 CA VAL A 116 25.478 17.376 0.145 1.00 21.01 C +ANISOU 931 CA VAL A 116 2667 2351 2964 493 -731 -696 C +ATOM 932 C VAL A 116 24.754 16.834 -1.078 1.00 22.87 C +ANISOU 932 C VAL A 116 2941 2592 3158 447 -702 -650 C +ATOM 933 O VAL A 116 25.307 16.817 -2.175 1.00 22.37 O +ANISOU 933 O VAL A 116 2858 2541 3099 436 -665 -671 O +ATOM 934 CB VAL A 116 25.769 18.870 -0.084 1.00 22.57 C +ANISOU 934 CB VAL A 116 2790 2563 3224 465 -687 -703 C +ATOM 935 CG1 VAL A 116 24.477 19.638 -0.296 1.00 22.74 C +ANISOU 935 CG1 VAL A 116 2823 2586 3230 421 -654 -627 C +ATOM 936 CG2 VAL A 116 26.549 19.451 1.088 1.00 26.95 C +ANISOU 936 CG2 VAL A 116 3308 3107 3823 499 -729 -763 C +ATOM 937 N GLN A 117 23.515 16.401 -0.868 1.00 22.07 N +ANISOU 937 N GLN A 117 2893 2482 3011 418 -720 -588 N +ATOM 938 CA GLN A 117 22.686 15.829 -1.916 1.00 22.40 C +ANISOU 938 CA GLN A 117 2976 2527 3010 365 -718 -544 C +ATOM 939 C GLN A 117 21.533 16.778 -2.246 1.00 22.16 C +ANISOU 939 C GLN A 117 2912 2525 2983 314 -694 -467 C +ATOM 940 O GLN A 117 21.117 17.580 -1.406 1.00 21.91 O +ANISOU 940 O GLN A 117 2847 2500 2978 326 -681 -441 O +ATOM 941 CB GLN A 117 22.152 14.461 -1.466 1.00 23.35 C +ANISOU 941 CB GLN A 117 3174 2607 3089 361 -767 -527 C +ATOM 942 CG GLN A 117 21.155 13.835 -2.427 1.00 23.79 C +ANISOU 942 CG GLN A 117 3276 2658 3106 291 -784 -482 C +ATOM 943 CD GLN A 117 19.728 14.272 -2.170 1.00 23.68 C +ANISOU 943 CD GLN A 117 3232 2670 3095 235 -785 -392 C +ATOM 944 OE1 GLN A 117 19.431 14.922 -1.166 1.00 22.66 O +ANISOU 944 OE1 GLN A 117 3064 2556 2989 257 -764 -365 O +ATOM 945 NE2 GLN A 117 18.831 13.922 -3.088 1.00 25.46 N +ANISOU 945 NE2 GLN A 117 3474 2903 3296 165 -811 -349 N +ATOM 946 N TYR A 118 21.023 16.683 -3.471 1.00 21.12 N +ANISOU 946 N TYR A 118 2795 2411 2821 264 -692 -432 N +ATOM 947 CA TYR A 118 19.934 17.548 -3.911 1.00 20.59 C +ANISOU 947 CA TYR A 118 2691 2373 2760 223 -683 -352 C +ATOM 948 C TYR A 118 19.059 16.834 -4.917 1.00 21.66 C +ANISOU 948 C TYR A 118 2867 2520 2842 162 -725 -310 C +ATOM 949 O TYR A 118 19.559 16.088 -5.759 1.00 22.75 O +ANISOU 949 O TYR A 118 3063 2649 2930 150 -738 -353 O +ATOM 950 CB TYR A 118 20.503 18.821 -4.531 1.00 22.61 C +ANISOU 950 CB TYR A 118 2902 2644 3045 229 -633 -351 C +ATOM 951 CG TYR A 118 19.474 19.801 -5.064 1.00 20.73 C +ANISOU 951 CG TYR A 118 2631 2429 2819 200 -627 -262 C +ATOM 952 CD1 TYR A 118 18.822 20.683 -4.217 1.00 19.31 C +ANISOU 952 CD1 TYR A 118 2402 2242 2693 223 -613 -223 C +ATOM 953 CD2 TYR A 118 19.173 19.854 -6.417 1.00 22.04 C +ANISOU 953 CD2 TYR A 118 2819 2620 2936 159 -636 -220 C +ATOM 954 CE1 TYR A 118 17.903 21.596 -4.701 1.00 21.07 C +ANISOU 954 CE1 TYR A 118 2589 2479 2939 213 -608 -141 C +ATOM 955 CE2 TYR A 118 18.249 20.758 -6.911 1.00 23.51 C +ANISOU 955 CE2 TYR A 118 2973 2826 3135 142 -643 -131 C +ATOM 956 CZ TYR A 118 17.614 21.626 -6.047 1.00 22.31 C +ANISOU 956 CZ TYR A 118 2761 2661 3053 172 -629 -90 C +ATOM 957 OH TYR A 118 16.700 22.533 -6.541 1.00 22.17 O +ANISOU 957 OH TYR A 118 2708 2657 3059 170 -638 1 O +ATOM 958 N SER A 119 17.751 17.069 -4.824 1.00 20.84 N +ANISOU 958 N SER A 119 2729 2438 2750 125 -749 -229 N +ATOM 959 CA SER A 119 16.804 16.604 -5.823 1.00 21.95 C +ANISOU 959 CA SER A 119 2889 2599 2851 57 -805 -179 C +ATOM 960 C SER A 119 15.758 17.680 -6.074 1.00 21.26 C +ANISOU 960 C SER A 119 2725 2555 2798 43 -807 -87 C +ATOM 961 O SER A 119 15.078 18.113 -5.147 1.00 22.14 O +ANISOU 961 O SER A 119 2772 2674 2966 63 -787 -42 O +ATOM 962 CB SER A 119 16.114 15.329 -5.341 1.00 24.84 C +ANISOU 962 CB SER A 119 3288 2939 3209 13 -857 -169 C +ATOM 963 OG SER A 119 15.164 14.881 -6.288 1.00 26.16 O +ANISOU 963 OG SER A 119 3468 3125 3347 -66 -928 -125 O +ATOM 964 N CYS A 120 15.615 18.097 -7.329 1.00 24.87 N +ANISOU 964 N CYS A 120 3193 3040 3217 17 -831 -55 N +ATOM 965 CA CYS A 120 14.433 18.844 -7.735 1.00 23.53 C +ANISOU 965 CA CYS A 120 2956 2911 3072 -2 -865 45 C +ATOM 966 C CYS A 120 13.426 17.929 -8.415 1.00 24.09 C +ANISOU 966 C CYS A 120 3042 3008 3104 -81 -964 81 C +ATOM 967 O CYS A 120 13.704 17.373 -9.479 1.00 29.25 O +ANISOU 967 O CYS A 120 3778 3664 3672 -122 -1011 50 O +ATOM 968 CB CYS A 120 14.801 20.006 -8.658 1.00 24.84 C +ANISOU 968 CB CYS A 120 3125 3091 3223 19 -840 77 C +ATOM 969 SG CYS A 120 13.356 21.032 -9.032 1.00 26.17 S +ANISOU 969 SG CYS A 120 3204 3299 3439 20 -887 210 S +ATOM 970 N ARG A 121 12.264 17.772 -7.784 1.00 22.74 N +ANISOU 970 N ARG A 121 2790 2855 2996 -105 -993 144 N +ATOM 971 CA ARG A 121 11.206 16.910 -8.300 1.00 24.94 C +ANISOU 971 CA ARG A 121 3058 3156 3261 -194 -1096 185 C +ATOM 972 C ARG A 121 10.364 17.603 -9.365 1.00 28.58 C +ANISOU 972 C ARG A 121 3470 3676 3715 -216 -1171 269 C +ATOM 973 O ARG A 121 9.729 16.938 -10.192 1.00 30.37 O +ANISOU 973 O ARG A 121 3716 3924 3899 -296 -1281 286 O +ATOM 974 CB ARG A 121 10.302 16.444 -7.157 1.00 25.26 C +ANISOU 974 CB ARG A 121 3016 3199 3383 -218 -1086 227 C +ATOM 975 CG ARG A 121 10.944 15.389 -6.279 1.00 25.40 C +ANISOU 975 CG ARG A 121 3108 3156 3387 -224 -1052 158 C +ATOM 976 CD ARG A 121 9.988 14.876 -5.218 1.00 27.53 C +ANISOU 976 CD ARG A 121 3306 3429 3724 -260 -1037 216 C +ATOM 977 NE ARG A 121 10.450 13.607 -4.665 1.00 27.99 N +ANISOU 977 NE ARG A 121 3459 3420 3757 -293 -1039 164 N +ATOM 978 CZ ARG A 121 10.050 13.107 -3.501 1.00 24.94 C +ANISOU 978 CZ ARG A 121 3049 3017 3408 -305 -996 199 C +ATOM 979 NH1 ARG A 121 9.182 13.771 -2.751 1.00 27.95 N +ANISOU 979 NH1 ARG A 121 3312 3453 3854 -285 -935 277 N +ATOM 980 NH2 ARG A 121 10.529 11.946 -3.081 1.00 30.51 N +ANISOU 980 NH2 ARG A 121 3857 3649 4085 -332 -1006 158 N +ATOM 981 N LEU A 122 10.348 18.932 -9.334 1.00 24.43 N +ANISOU 981 N LEU A 122 2883 3167 3230 -144 -1122 321 N +ATOM 982 CA LEU A 122 9.497 19.697 -10.236 1.00 26.36 C +ANISOU 982 CA LEU A 122 3072 3463 3480 -147 -1194 417 C +ATOM 983 C LEU A 122 10.005 21.125 -10.362 1.00 28.36 C +ANISOU 983 C LEU A 122 3320 3702 3752 -61 -1122 448 C +ATOM 984 O LEU A 122 10.241 21.795 -9.355 1.00 25.32 O +ANISOU 984 O LEU A 122 2889 3287 3445 7 -1028 439 O +ATOM 985 CB LEU A 122 8.063 19.702 -9.719 1.00 29.16 C +ANISOU 985 CB LEU A 122 3280 3860 3938 -163 -1237 504 C +ATOM 986 CG LEU A 122 7.056 20.434 -10.599 1.00 33.19 C +ANISOU 986 CG LEU A 122 3709 4429 4471 -159 -1331 614 C +ATOM 987 CD1 LEU A 122 6.789 19.651 -11.874 1.00 39.13 C +ANISOU 987 CD1 LEU A 122 4531 5215 5123 -257 -1478 614 C +ATOM 988 CD2 LEU A 122 5.771 20.671 -9.827 1.00 38.74 C +ANISOU 988 CD2 LEU A 122 4236 5174 5309 -141 -1331 698 C +ATOM 989 N LEU A 123 10.172 21.582 -11.602 1.00 28.94 N +ANISOU 989 N LEU A 123 3453 3795 3749 -69 -1169 484 N +ATOM 990 CA LEU A 123 10.654 22.935 -11.866 1.00 27.46 C +ANISOU 990 CA LEU A 123 3274 3584 3576 0 -1107 527 C +ATOM 991 C LEU A 123 9.508 23.933 -11.785 1.00 27.38 C +ANISOU 991 C LEU A 123 3149 3592 3661 51 -1141 645 C +ATOM 992 O LEU A 123 8.346 23.589 -12.046 1.00 30.30 O +ANISOU 992 O LEU A 123 3445 4018 4051 21 -1245 709 O +ATOM 993 CB LEU A 123 11.334 23.010 -13.240 1.00 29.22 C +ANISOU 993 CB LEU A 123 3619 3819 3666 -29 -1129 529 C +ATOM 994 CG LEU A 123 12.722 22.363 -13.326 1.00 32.52 C +ANISOU 994 CG LEU A 123 4144 4208 4004 -48 -1054 412 C +ATOM 995 CD1 LEU A 123 13.223 22.370 -14.764 1.00 36.34 C +ANISOU 995 CD1 LEU A 123 4746 4718 4341 -77 -1072 422 C +ATOM 996 CD2 LEU A 123 13.711 23.070 -12.412 1.00 31.53 C +ANISOU 996 CD2 LEU A 123 3996 4025 3960 10 -925 368 C +ATOM 997 N ASN A 124 9.838 25.165 -11.415 1.00 26.20 N +ANISOU 997 N ASN A 124 2981 3393 3579 131 -1058 671 N +ATOM 998 CA ASN A 124 9.032 26.322 -11.766 1.00 26.51 C +ANISOU 998 CA ASN A 124 2956 3433 3683 193 -1091 790 C +ATOM 999 C ASN A 124 9.250 26.757 -13.215 1.00 25.21 C +ANISOU 999 C ASN A 124 2882 3281 3417 174 -1153 861 C +ATOM 1000 O ASN A 124 10.219 26.349 -13.856 1.00 26.62 O +ANISOU 1000 O ASN A 124 3178 3458 3479 123 -1133 807 O +ATOM 1001 CB ASN A 124 9.370 27.481 -10.834 1.00 29.24 C +ANISOU 1001 CB ASN A 124 3272 3700 4138 284 -976 782 C +ATOM 1002 CG ASN A 124 8.718 27.345 -9.475 1.00 30.74 C +ANISOU 1002 CG ASN A 124 3354 3892 4434 330 -929 754 C +ATOM 1003 OD1 ASN A 124 7.537 27.011 -9.367 1.00 29.22 O +ANISOU 1003 OD1 ASN A 124 3056 3759 4288 330 -988 811 O +ATOM 1004 ND2 ASN A 124 9.480 27.613 -8.431 1.00 27.24 N +ANISOU 1004 ND2 ASN A 124 2935 3387 4027 366 -822 667 N +ATOM 1005 N LEU A 125 8.335 27.581 -13.721 1.00 25.71 N +ANISOU 1005 N LEU A 125 2889 3358 3521 222 -1224 986 N +ATOM 1006 CA LEU A 125 8.382 28.031 -15.112 1.00 24.78 C +ANISOU 1006 CA LEU A 125 2860 3259 3298 209 -1299 1076 C +ATOM 1007 C LEU A 125 9.525 29.007 -15.364 1.00 24.84 C +ANISOU 1007 C LEU A 125 2969 3186 3283 237 -1189 1083 C +ATOM 1008 O LEU A 125 9.795 29.348 -16.507 1.00 27.72 O +ANISOU 1008 O LEU A 125 3433 3560 3539 219 -1221 1152 O +ATOM 1009 CB LEU A 125 7.053 28.670 -15.500 1.00 30.03 C +ANISOU 1009 CB LEU A 125 3426 3957 4026 265 -1415 1217 C +ATOM 1010 CG LEU A 125 5.881 27.696 -15.626 1.00 29.66 C +ANISOU 1010 CG LEU A 125 3279 4006 3982 213 -1557 1235 C +ATOM 1011 CD1 LEU A 125 4.578 28.467 -15.735 1.00 34.49 C +ANISOU 1011 CD1 LEU A 125 3752 4647 4707 292 -1651 1372 C +ATOM 1012 CD2 LEU A 125 6.056 26.759 -16.812 1.00 36.03 C +ANISOU 1012 CD2 LEU A 125 4205 4877 4609 110 -1672 1214 C +ATOM 1013 N ASP A 126 10.195 29.432 -14.289 1.00 26.55 N +ANISOU 1013 N ASP A 126 3164 3327 3599 274 -1061 1011 N +ATOM 1014 CA ASP A 126 11.361 30.309 -14.396 1.00 26.00 C +ANISOU 1014 CA ASP A 126 3177 3173 3531 283 -952 1003 C +ATOM 1015 C ASP A 126 12.680 29.583 -14.142 1.00 24.37 C +ANISOU 1015 C ASP A 126 3033 2962 3266 223 -862 870 C +ATOM 1016 O ASP A 126 13.742 30.212 -14.068 1.00 28.69 O +ANISOU 1016 O ASP A 126 3626 3443 3834 219 -762 844 O +ATOM 1017 CB ASP A 126 11.233 31.486 -13.430 1.00 25.13 C +ANISOU 1017 CB ASP A 126 3003 2963 3580 370 -881 1019 C +ATOM 1018 CG ASP A 126 11.340 31.067 -11.974 1.00 29.10 C +ANISOU 1018 CG ASP A 126 3436 3450 4169 389 -817 897 C +ATOM 1019 OD1 ASP A 126 11.297 29.851 -11.677 1.00 25.49 O +ANISOU 1019 OD1 ASP A 126 2961 3061 3663 341 -840 822 O +ATOM 1020 OD2 ASP A 126 11.466 31.967 -11.117 1.00 28.53 O +ANISOU 1020 OD2 ASP A 126 3339 3291 4211 453 -745 878 O +ATOM 1021 N GLY A 127 12.605 28.261 -14.010 1.00 25.76 N +ANISOU 1021 N GLY A 127 3205 3203 3379 174 -902 788 N +ATOM 1022 CA GLY A 127 13.799 27.425 -13.938 1.00 25.68 C +ANISOU 1022 CA GLY A 127 3259 3198 3301 124 -835 667 C +ATOM 1023 C GLY A 127 14.243 27.145 -12.515 1.00 23.82 C +ANISOU 1023 C GLY A 127 2966 2922 3161 145 -766 558 C +ATOM 1024 O GLY A 127 15.096 26.286 -12.281 1.00 24.56 O +ANISOU 1024 O GLY A 127 3094 3024 3215 115 -729 454 O +ATOM 1025 N THR A 128 13.664 27.865 -11.557 1.00 24.96 N +ANISOU 1025 N THR A 128 3029 3024 3430 206 -751 581 N +ATOM 1026 CA THR A 128 13.864 27.543 -10.145 1.00 25.34 C +ANISOU 1026 CA THR A 128 3029 3047 3553 231 -702 485 C +ATOM 1027 C THR A 128 13.072 26.291 -9.779 1.00 24.51 C +ANISOU 1027 C THR A 128 2885 3005 3423 205 -765 461 C +ATOM 1028 O THR A 128 12.213 25.847 -10.533 1.00 27.37 O +ANISOU 1028 O THR A 128 3237 3424 3738 174 -854 524 O +ATOM 1029 CB THR A 128 13.440 28.699 -9.218 1.00 26.44 C +ANISOU 1029 CB THR A 128 3106 3121 3819 309 -659 509 C +ATOM 1030 OG1 THR A 128 12.020 28.875 -9.282 1.00 26.02 O +ANISOU 1030 OG1 THR A 128 2978 3102 3807 349 -721 602 O +ATOM 1031 CG2 THR A 128 14.131 29.980 -9.614 1.00 28.63 C +ANISOU 1031 CG2 THR A 128 3427 3318 4135 326 -606 544 C +ATOM 1032 N CYS A 129 13.368 25.709 -8.624 1.00 21.89 N +ANISOU 1032 N CYS A 129 2536 2661 3121 213 -726 372 N +ATOM 1033 CA CYS A 129 12.696 24.469 -8.240 1.00 24.56 C +ANISOU 1033 CA CYS A 129 2847 3047 3437 178 -776 353 C +ATOM 1034 C CYS A 129 11.393 24.750 -7.494 1.00 21.82 C +ANISOU 1034 C CYS A 129 2393 2719 3177 219 -784 415 C +ATOM 1035 O CYS A 129 11.360 25.556 -6.571 1.00 26.96 O +ANISOU 1035 O CYS A 129 3007 3332 3905 289 -715 406 O +ATOM 1036 CB CYS A 129 13.606 23.589 -7.382 1.00 25.62 C +ANISOU 1036 CB CYS A 129 3023 3161 3552 168 -734 240 C +ATOM 1037 SG CYS A 129 12.975 21.899 -7.202 1.00 26.85 S +ANISOU 1037 SG CYS A 129 3183 3357 3662 103 -802 221 S +ATOM 1038 N ALA A 130 10.329 24.066 -7.903 1.00 24.66 N +ANISOU 1038 N ALA A 130 2704 3138 3526 175 -867 474 N +ATOM 1039 CA ALA A 130 9.026 24.178 -7.247 1.00 27.12 C +ANISOU 1039 CA ALA A 130 2892 3485 3927 204 -872 539 C +ATOM 1040 C ALA A 130 8.892 23.205 -6.088 1.00 26.46 C +ANISOU 1040 C ALA A 130 2789 3410 3856 182 -833 486 C +ATOM 1041 O ALA A 130 8.124 23.443 -5.161 1.00 28.50 O +ANISOU 1041 O ALA A 130 2957 3682 4189 228 -782 515 O +ATOM 1042 CB ALA A 130 7.911 23.935 -8.244 1.00 27.70 C +ANISOU 1042 CB ALA A 130 2903 3624 3998 158 -990 635 C +ATOM 1043 N ASP A 131 9.638 22.108 -6.153 1.00 25.08 N +ANISOU 1043 N ASP A 131 2703 3223 3604 118 -851 412 N +ATOM 1044 CA ASP A 131 9.553 21.055 -5.149 1.00 24.82 C +ANISOU 1044 CA ASP A 131 2672 3189 3570 88 -826 372 C +ATOM 1045 C ASP A 131 10.894 20.340 -5.043 1.00 24.51 C +ANISOU 1045 C ASP A 131 2754 3102 3455 70 -812 268 C +ATOM 1046 O ASP A 131 11.245 19.522 -5.893 1.00 26.45 O +ANISOU 1046 O ASP A 131 3071 3346 3634 8 -875 240 O +ATOM 1047 CB ASP A 131 8.452 20.063 -5.516 1.00 27.12 C +ANISOU 1047 CB ASP A 131 2908 3528 3868 -2 -912 431 C +ATOM 1048 CG ASP A 131 8.173 19.051 -4.412 1.00 31.18 C +ANISOU 1048 CG ASP A 131 3411 4037 4397 -37 -876 416 C +ATOM 1049 OD1 ASP A 131 8.541 19.298 -3.242 1.00 27.41 O +ANISOU 1049 OD1 ASP A 131 2944 3537 3933 27 -779 382 O +ATOM 1050 OD2 ASP A 131 7.566 18.003 -4.725 1.00 29.92 O +ANISOU 1050 OD2 ASP A 131 3241 3895 4234 -133 -949 442 O +ATOM 1051 N SER A 132 11.645 20.657 -3.995 1.00 23.98 N +ANISOU 1051 N SER A 132 2713 2998 3399 131 -733 206 N +ATOM 1052 CA SER A 132 12.997 20.143 -3.836 1.00 22.30 C +ANISOU 1052 CA SER A 132 2598 2744 3133 133 -720 109 C +ATOM 1053 C SER A 132 13.134 19.405 -2.514 1.00 22.54 C +ANISOU 1053 C SER A 132 2650 2755 3157 147 -687 70 C +ATOM 1054 O SER A 132 12.401 19.660 -1.558 1.00 22.07 O +ANISOU 1054 O SER A 132 2538 2712 3135 176 -642 106 O +ATOM 1055 CB SER A 132 14.021 21.280 -3.864 1.00 24.18 C +ANISOU 1055 CB SER A 132 2853 2948 3385 191 -669 64 C +ATOM 1056 OG SER A 132 13.774 22.193 -2.809 1.00 24.56 O +ANISOU 1056 OG SER A 132 2859 2983 3492 258 -608 67 O +ATOM 1057 N TYR A 133 14.112 18.515 -2.447 1.00 20.90 N +ANISOU 1057 N TYR A 133 2526 2516 2901 134 -704 -2 N +ATOM 1058 CA TYR A 133 14.666 18.116 -1.171 1.00 20.80 C +ANISOU 1058 CA TYR A 133 2553 2474 2875 174 -672 -53 C +ATOM 1059 C TYR A 133 16.184 17.994 -1.213 1.00 22.02 C +ANISOU 1059 C TYR A 133 2771 2592 3002 207 -676 -148 C +ATOM 1060 O TYR A 133 16.800 17.945 -2.276 1.00 23.02 O +ANISOU 1060 O TYR A 133 2919 2715 3113 189 -696 -176 O +ATOM 1061 CB TYR A 133 14.017 16.821 -0.653 1.00 23.22 C +ANISOU 1061 CB TYR A 133 2884 2776 3162 125 -695 -20 C +ATOM 1062 CG TYR A 133 14.251 15.562 -1.468 1.00 21.99 C +ANISOU 1062 CG TYR A 133 2797 2590 2967 60 -765 -40 C +ATOM 1063 CD1 TYR A 133 15.313 14.716 -1.178 1.00 21.84 C +ANISOU 1063 CD1 TYR A 133 2868 2520 2912 82 -780 -112 C +ATOM 1064 CD2 TYR A 133 13.379 15.186 -2.478 1.00 24.86 C +ANISOU 1064 CD2 TYR A 133 3139 2974 3335 -20 -822 10 C +ATOM 1065 CE1 TYR A 133 15.521 13.552 -1.891 1.00 24.02 C +ANISOU 1065 CE1 TYR A 133 3217 2754 3155 34 -838 -139 C +ATOM 1066 CE2 TYR A 133 13.575 14.019 -3.201 1.00 26.27 C +ANISOU 1066 CE2 TYR A 133 3396 3113 3472 -80 -889 -21 C +ATOM 1067 CZ TYR A 133 14.650 13.206 -2.906 1.00 25.24 C +ANISOU 1067 CZ TYR A 133 3362 2922 3306 -50 -891 -98 C +ATOM 1068 OH TYR A 133 14.867 12.029 -3.593 1.00 26.41 O +ANISOU 1068 OH TYR A 133 3600 3017 3416 -98 -952 -139 O +ATOM 1069 N SER A 134 16.781 17.967 -0.032 1.00 20.33 N +ANISOU 1069 N SER A 134 2583 2357 2783 259 -654 -196 N +ATOM 1070 CA SER A 134 18.230 17.932 0.092 1.00 20.58 C +ANISOU 1070 CA SER A 134 2653 2361 2807 299 -663 -285 C +ATOM 1071 C SER A 134 18.621 17.289 1.414 1.00 21.95 C +ANISOU 1071 C SER A 134 2877 2513 2950 340 -675 -319 C +ATOM 1072 O SER A 134 18.056 17.608 2.457 1.00 23.60 O +ANISOU 1072 O SER A 134 3083 2732 3150 365 -646 -294 O +ATOM 1073 CB SER A 134 18.800 19.348 0.021 1.00 19.28 C +ANISOU 1073 CB SER A 134 2444 2196 2688 332 -628 -316 C +ATOM 1074 OG SER A 134 20.194 19.359 0.308 1.00 22.16 O +ANISOU 1074 OG SER A 134 2823 2539 3060 366 -639 -402 O +ATOM 1075 N PHE A 135 19.579 16.372 1.357 1.00 21.21 N +ANISOU 1075 N PHE A 135 2834 2390 2835 354 -715 -372 N +ATOM 1076 CA PHE A 135 20.179 15.803 2.554 1.00 22.77 C +ANISOU 1076 CA PHE A 135 3085 2564 3003 406 -742 -408 C +ATOM 1077 C PHE A 135 21.614 16.305 2.711 1.00 23.39 C +ANISOU 1077 C PHE A 135 3144 2637 3109 462 -760 -497 C +ATOM 1078 O PHE A 135 22.374 16.395 1.740 1.00 23.05 O +ANISOU 1078 O PHE A 135 3068 2593 3098 456 -760 -537 O +ATOM 1079 CB PHE A 135 20.184 14.271 2.481 1.00 22.39 C +ANISOU 1079 CB PHE A 135 3111 2474 2921 391 -786 -395 C +ATOM 1080 CG PHE A 135 18.831 13.635 2.658 1.00 27.09 C +ANISOU 1080 CG PHE A 135 3731 3067 3496 330 -776 -305 C +ATOM 1081 CD1 PHE A 135 18.340 13.359 3.923 1.00 30.48 C +ANISOU 1081 CD1 PHE A 135 4197 3494 3888 343 -761 -259 C +ATOM 1082 CD2 PHE A 135 18.054 13.311 1.560 1.00 26.24 C +ANISOU 1082 CD2 PHE A 135 3606 2961 3401 254 -784 -265 C +ATOM 1083 CE1 PHE A 135 17.100 12.771 4.088 1.00 33.38 C +ANISOU 1083 CE1 PHE A 135 4573 3863 4248 277 -741 -169 C +ATOM 1084 CE2 PHE A 135 16.816 12.724 1.719 1.00 31.54 C +ANISOU 1084 CE2 PHE A 135 4282 3632 4070 185 -783 -181 C +ATOM 1085 CZ PHE A 135 16.340 12.450 2.984 1.00 30.72 C +ANISOU 1085 CZ PHE A 135 4202 3526 3944 195 -755 -130 C +ATOM 1086 N VAL A 136 21.985 16.623 3.943 1.00 22.38 N +ANISOU 1086 N VAL A 136 3032 2507 2964 512 -776 -528 N +ATOM 1087 CA VAL A 136 23.387 16.693 4.323 1.00 24.78 C +ANISOU 1087 CA VAL A 136 3327 2802 3288 565 -825 -613 C +ATOM 1088 C VAL A 136 23.775 15.443 5.098 1.00 23.97 C +ANISOU 1088 C VAL A 136 3300 2673 3135 612 -888 -617 C +ATOM 1089 O VAL A 136 23.150 15.115 6.111 1.00 24.66 O +ANISOU 1089 O VAL A 136 3455 2757 3159 624 -894 -574 O +ATOM 1090 CB VAL A 136 23.678 17.923 5.202 1.00 22.23 C +ANISOU 1090 CB VAL A 136 2979 2489 2977 592 -826 -658 C +ATOM 1091 CG1 VAL A 136 25.156 17.970 5.582 1.00 24.63 C +ANISOU 1091 CG1 VAL A 136 3258 2788 3314 637 -895 -746 C +ATOM 1092 CG2 VAL A 136 23.258 19.208 4.498 1.00 22.73 C +ANISOU 1092 CG2 VAL A 136 2978 2560 3096 552 -764 -646 C +ATOM 1093 N PHE A 137 24.794 14.748 4.602 1.00 21.89 N +ANISOU 1093 N PHE A 137 3027 2389 2901 641 -929 -663 N +ATOM 1094 CA PHE A 137 25.248 13.490 5.187 1.00 23.93 C +ANISOU 1094 CA PHE A 137 3359 2609 3125 696 -995 -665 C +ATOM 1095 C PHE A 137 26.584 13.686 5.891 1.00 26.80 C +ANISOU 1095 C PHE A 137 3690 2980 3514 773 -1067 -739 C +ATOM 1096 O PHE A 137 27.398 14.508 5.471 1.00 24.79 O +ANISOU 1096 O PHE A 137 3338 2752 3328 774 -1061 -801 O +ATOM 1097 CB PHE A 137 25.423 12.420 4.109 1.00 23.67 C +ANISOU 1097 CB PHE A 137 3346 2536 3111 690 -994 -667 C +ATOM 1098 CG PHE A 137 24.134 11.951 3.484 1.00 25.47 C +ANISOU 1098 CG PHE A 137 3622 2746 3309 612 -955 -596 C +ATOM 1099 CD1 PHE A 137 23.246 11.161 4.196 1.00 26.33 C +ANISOU 1099 CD1 PHE A 137 3818 2820 3366 590 -969 -523 C +ATOM 1100 CD2 PHE A 137 23.820 12.293 2.181 1.00 26.77 C +ANISOU 1100 CD2 PHE A 137 3743 2930 3499 554 -907 -597 C +ATOM 1101 CE1 PHE A 137 22.071 10.721 3.621 1.00 26.77 C +ANISOU 1101 CE1 PHE A 137 3901 2861 3410 506 -941 -457 C +ATOM 1102 CE2 PHE A 137 22.646 11.855 1.598 1.00 25.99 C +ANISOU 1102 CE2 PHE A 137 3681 2817 3374 478 -891 -535 C +ATOM 1103 CZ PHE A 137 21.769 11.070 2.319 1.00 28.24 C +ANISOU 1103 CZ PHE A 137 4038 3068 3624 450 -911 -467 C +ATOM 1104 N SER A 138 26.808 12.897 6.940 1.00 25.77 N +ANISOU 1104 N SER A 138 3639 2824 3329 833 -1140 -727 N +ATOM 1105 CA SER A 138 28.101 12.828 7.612 1.00 27.77 C +ANISOU 1105 CA SER A 138 3867 3082 3603 915 -1235 -791 C +ATOM 1106 C SER A 138 28.536 11.365 7.730 1.00 29.40 C +ANISOU 1106 C SER A 138 4143 3231 3796 985 -1300 -773 C +ATOM 1107 O SER A 138 27.708 10.478 7.943 1.00 31.34 O +ANISOU 1107 O SER A 138 4499 3430 3979 970 -1290 -698 O +ATOM 1108 CB SER A 138 28.000 13.463 9.000 1.00 28.10 C +ANISOU 1108 CB SER A 138 3953 3149 3573 936 -1283 -795 C +ATOM 1109 OG SER A 138 29.210 13.358 9.720 1.00 33.50 O +ANISOU 1109 OG SER A 138 4618 3840 4268 1014 -1399 -854 O +ATOM 1110 N ARG A 139 29.829 11.109 7.590 1.00 28.34 N +ANISOU 1110 N ARG A 139 3940 3096 3731 1060 -1363 -838 N +ATOM 1111 CA ARG A 139 30.373 9.783 7.874 1.00 32.47 C +ANISOU 1111 CA ARG A 139 4530 3559 4249 1151 -1441 -826 C +ATOM 1112 C ARG A 139 30.283 9.465 9.367 1.00 34.08 C +ANISOU 1112 C ARG A 139 4842 3751 4357 1202 -1537 -780 C +ATOM 1113 O ARG A 139 30.059 8.320 9.761 1.00 34.36 O +ANISOU 1113 O ARG A 139 4996 3718 4342 1243 -1575 -718 O +ATOM 1114 CB ARG A 139 31.834 9.694 7.420 1.00 31.82 C +ANISOU 1114 CB ARG A 139 4323 3491 4275 1233 -1486 -910 C +ATOM 1115 CG ARG A 139 32.027 9.753 5.913 1.00 34.18 C +ANISOU 1115 CG ARG A 139 4538 3796 4654 1202 -1384 -951 C +ATOM 1116 CD ARG A 139 31.403 8.548 5.228 1.00 33.66 C +ANISOU 1116 CD ARG A 139 4584 3649 4557 1201 -1344 -913 C +ATOM 1117 NE ARG A 139 31.905 8.385 3.869 1.00 30.31 N +ANISOU 1117 NE ARG A 139 4090 3226 4200 1210 -1269 -971 N +ATOM 1118 CZ ARG A 139 31.613 7.352 3.087 1.00 29.42 C +ANISOU 1118 CZ ARG A 139 4064 3042 4074 1220 -1235 -969 C +ATOM 1119 NH1 ARG A 139 30.800 6.399 3.523 1.00 35.88 N +ANISOU 1119 NH1 ARG A 139 5031 3773 4827 1211 -1274 -905 N +ATOM 1120 NH2 ARG A 139 32.115 7.280 1.864 1.00 30.78 N +ANISOU 1120 NH2 ARG A 139 4178 3225 4293 1235 -1159 -1031 N +ATOM 1121 N ASP A 140 30.469 10.491 10.190 1.00 36.33 N +ANISOU 1121 N ASP A 140 5095 4097 4613 1197 -1575 -811 N +ATOM 1122 CA ASP A 140 30.435 10.351 11.642 1.00 33.19 C +ANISOU 1122 CA ASP A 140 4805 3702 4103 1246 -1667 -778 C +ATOM 1123 C ASP A 140 29.038 10.694 12.136 1.00 33.18 C +ANISOU 1123 C ASP A 140 4905 3711 3991 1172 -1582 -707 C +ATOM 1124 O ASP A 140 28.553 11.790 11.884 1.00 32.79 O +ANISOU 1124 O ASP A 140 4798 3704 3954 1104 -1505 -734 O +ATOM 1125 CB ASP A 140 31.454 11.310 12.263 1.00 38.77 C +ANISOU 1125 CB ASP A 140 5424 4471 4837 1282 -1766 -867 C +ATOM 1126 CG ASP A 140 31.500 11.231 13.781 1.00 46.04 C +ANISOU 1126 CG ASP A 140 6466 5404 5624 1337 -1877 -845 C +ATOM 1127 OD1 ASP A 140 30.662 10.529 14.382 1.00 43.29 O +ANISOU 1127 OD1 ASP A 140 6271 5022 5156 1342 -1857 -752 O +ATOM 1128 OD2 ASP A 140 32.387 11.875 14.374 1.00 63.24 O +ANISOU 1128 OD2 ASP A 140 8586 7626 7815 1372 -1987 -920 O +ATOM 1129 N PRO A 141 28.380 9.761 12.840 1.00 34.44 N +ANISOU 1129 N PRO A 141 5213 3827 4046 1186 -1588 -611 N +ATOM 1130 CA PRO A 141 27.012 10.060 13.264 1.00 37.50 C +ANISOU 1130 CA PRO A 141 5678 4231 4338 1113 -1486 -538 C +ATOM 1131 C PRO A 141 26.928 11.166 14.314 1.00 33.94 C +ANISOU 1131 C PRO A 141 5249 3848 3797 1122 -1496 -574 C +ATOM 1132 O PRO A 141 25.833 11.633 14.628 1.00 38.63 O +ANISOU 1132 O PRO A 141 5885 4469 4324 1071 -1396 -531 O +ATOM 1133 CB PRO A 141 26.520 8.728 13.845 1.00 39.73 C +ANISOU 1133 CB PRO A 141 6113 4447 4534 1131 -1500 -424 C +ATOM 1134 CG PRO A 141 27.756 7.996 14.242 1.00 47.74 C +ANISOU 1134 CG PRO A 141 7159 5424 5557 1241 -1645 -446 C +ATOM 1135 CD PRO A 141 28.829 8.427 13.284 1.00 38.31 C +ANISOU 1135 CD PRO A 141 5803 4248 4505 1268 -1680 -559 C +ATOM 1136 N ASN A 142 28.066 11.588 14.852 1.00 35.00 N +ANISOU 1136 N ASN A 142 5354 4010 3934 1189 -1617 -657 N +ATOM 1137 CA ASN A 142 28.071 12.662 15.840 1.00 37.05 C +ANISOU 1137 CA ASN A 142 5645 4325 4106 1198 -1643 -712 C +ATOM 1138 C ASN A 142 28.192 14.044 15.203 1.00 37.94 C +ANISOU 1138 C ASN A 142 5624 4471 4319 1142 -1595 -807 C +ATOM 1139 O ASN A 142 28.184 15.055 15.900 1.00 48.28 O +ANISOU 1139 O ASN A 142 6954 5814 5575 1141 -1610 -868 O +ATOM 1140 CB ASN A 142 29.196 12.453 16.850 1.00 39.16 C +ANISOU 1140 CB ASN A 142 5960 4605 4313 1290 -1819 -754 C +ATOM 1141 CG ASN A 142 28.928 11.289 17.781 1.00 45.97 C +ANISOU 1141 CG ASN A 142 6996 5438 5033 1348 -1864 -648 C +ATOM 1142 OD1 ASN A 142 27.797 11.071 18.208 1.00 48.94 O +ANISOU 1142 OD1 ASN A 142 7487 5811 5297 1314 -1761 -558 O +ATOM 1143 ND2 ASN A 142 29.970 10.530 18.094 1.00 56.00 N +ANISOU 1143 ND2 ASN A 142 8281 6686 6312 1437 -2017 -649 N +ATOM 1144 N GLY A 143 28.305 14.083 13.881 1.00 33.57 N +ANISOU 1144 N GLY A 143 4947 3902 3907 1097 -1538 -819 N +ATOM 1145 CA GLY A 143 28.186 15.336 13.142 1.00 34.99 C +ANISOU 1145 CA GLY A 143 5014 4102 4178 1032 -1464 -879 C +ATOM 1146 C GLY A 143 29.472 15.723 12.433 1.00 30.98 C +ANISOU 1146 C GLY A 143 4360 3600 3812 1034 -1526 -966 C +ATOM 1147 O GLY A 143 30.491 15.033 12.539 1.00 34.61 O +ANISOU 1147 O GLY A 143 4791 4055 4304 1095 -1630 -989 O +ATOM 1148 N LEU A 144 29.422 16.842 11.717 1.00 30.63 N +ANISOU 1148 N LEU A 144 4218 3565 3856 970 -1458 -1010 N +ATOM 1149 CA LEU A 144 30.553 17.327 10.939 1.00 27.95 C +ANISOU 1149 CA LEU A 144 3727 3233 3660 952 -1486 -1082 C +ATOM 1150 C LEU A 144 31.506 18.145 11.795 1.00 31.38 C +ANISOU 1150 C LEU A 144 4124 3685 4114 966 -1605 -1178 C +ATOM 1151 O LEU A 144 31.081 18.824 12.722 1.00 34.77 O +ANISOU 1151 O LEU A 144 4637 4115 4458 962 -1625 -1203 O +ATOM 1152 CB LEU A 144 30.062 18.215 9.801 1.00 27.81 C +ANISOU 1152 CB LEU A 144 3633 3211 3724 869 -1361 -1075 C +ATOM 1153 CG LEU A 144 29.127 17.571 8.788 1.00 27.43 C +ANISOU 1153 CG LEU A 144 3604 3149 3667 839 -1252 -990 C +ATOM 1154 CD1 LEU A 144 28.673 18.623 7.793 1.00 26.98 C +ANISOU 1154 CD1 LEU A 144 3480 3092 3680 764 -1148 -983 C +ATOM 1155 CD2 LEU A 144 29.817 16.409 8.089 1.00 29.34 C +ANISOU 1155 CD2 LEU A 144 3810 3383 3954 876 -1274 -983 C +ATOM 1156 N PRO A 145 32.804 18.104 11.459 1.00 34.92 N +ANISOU 1156 N PRO A 145 4440 4147 4680 980 -1682 -1236 N +ATOM 1157 CA PRO A 145 33.764 19.065 11.985 1.00 32.77 C +ANISOU 1157 CA PRO A 145 4089 3891 4472 961 -1787 -1334 C +ATOM 1158 C PRO A 145 33.514 20.463 11.433 1.00 31.61 C +ANISOU 1158 C PRO A 145 3882 3725 4404 863 -1699 -1369 C +ATOM 1159 O PRO A 145 32.893 20.605 10.381 1.00 28.63 O +ANISOU 1159 O PRO A 145 3479 3333 4065 816 -1561 -1317 O +ATOM 1160 CB PRO A 145 35.108 18.527 11.491 1.00 37.17 C +ANISOU 1160 CB PRO A 145 4491 4472 5161 997 -1857 -1366 C +ATOM 1161 CG PRO A 145 34.785 17.741 10.269 1.00 38.14 C +ANISOU 1161 CG PRO A 145 4586 4584 5320 1001 -1731 -1298 C +ATOM 1162 CD PRO A 145 33.405 17.190 10.472 1.00 31.16 C +ANISOU 1162 CD PRO A 145 3873 3673 4294 1009 -1660 -1215 C +ATOM 1163 N PRO A 146 34.000 21.494 12.140 1.00 30.94 N +ANISOU 1163 N PRO A 146 3781 3633 4342 832 -1786 -1458 N +ATOM 1164 CA PRO A 146 33.693 22.875 11.778 1.00 30.36 C +ANISOU 1164 CA PRO A 146 3680 3519 4335 742 -1711 -1492 C +ATOM 1165 C PRO A 146 34.054 23.225 10.334 1.00 31.65 C +ANISOU 1165 C PRO A 146 3692 3676 4658 671 -1605 -1468 C +ATOM 1166 O PRO A 146 33.294 23.921 9.669 1.00 31.49 O +ANISOU 1166 O PRO A 146 3687 3622 4658 616 -1484 -1431 O +ATOM 1167 CB PRO A 146 34.537 23.691 12.758 1.00 34.39 C +ANISOU 1167 CB PRO A 146 4177 4021 4869 723 -1863 -1606 C +ATOM 1168 CG PRO A 146 34.697 22.801 13.944 1.00 42.35 C +ANISOU 1168 CG PRO A 146 5288 5065 5736 817 -1999 -1616 C +ATOM 1169 CD PRO A 146 34.753 21.404 13.402 1.00 36.93 C +ANISOU 1169 CD PRO A 146 4573 4411 5046 881 -1969 -1529 C +ATOM 1170 N GLU A 147 35.201 22.756 9.849 1.00 34.41 N +ANISOU 1170 N GLU A 147 3897 4060 5118 678 -1648 -1485 N +ATOM 1171 CA GLU A 147 35.631 23.121 8.501 1.00 34.70 C +ANISOU 1171 CA GLU A 147 3790 4098 5298 610 -1538 -1464 C +ATOM 1172 C GLU A 147 34.667 22.601 7.442 1.00 35.00 C +ANISOU 1172 C GLU A 147 3877 4133 5286 614 -1386 -1368 C +ATOM 1173 O GLU A 147 34.403 23.279 6.447 1.00 35.95 O +ANISOU 1173 O GLU A 147 3957 4235 5467 543 -1270 -1334 O +ATOM 1174 CB GLU A 147 37.038 22.606 8.198 1.00 44.47 C +ANISOU 1174 CB GLU A 147 4855 5383 6659 631 -1599 -1499 C +ATOM 1175 CG GLU A 147 37.718 23.384 7.079 1.00 77.99 C +ANISOU 1175 CG GLU A 147 8933 9629 11069 537 -1503 -1502 C +ATOM 1176 CD GLU A 147 38.778 22.580 6.351 1.00110.43 C +ANISOU 1176 CD GLU A 147 12881 13797 15280 577 -1482 -1500 C +ATOM 1177 OE1 GLU A 147 39.629 21.968 7.031 1.00125.01 O +ANISOU 1177 OE1 GLU A 147 14662 15680 17155 647 -1615 -1547 O +ATOM 1178 OE2 GLU A 147 38.767 22.565 5.099 1.00 69.29 O +ANISOU 1178 OE2 GLU A 147 7611 8597 10118 544 -1332 -1452 O +ATOM 1179 N ALA A 148 34.146 21.397 7.657 1.00 29.13 N +ANISOU 1179 N ALA A 148 3228 3406 4434 692 -1394 -1322 N +ATOM 1180 CA ALA A 148 33.182 20.810 6.738 1.00 27.35 C +ANISOU 1180 CA ALA A 148 3061 3176 4154 692 -1272 -1236 C +ATOM 1181 C ALA A 148 31.840 21.519 6.862 1.00 28.77 C +ANISOU 1181 C ALA A 148 3347 3325 4261 653 -1203 -1193 C +ATOM 1182 O ALA A 148 31.184 21.801 5.863 1.00 26.75 O +ANISOU 1182 O ALA A 148 3086 3059 4018 606 -1093 -1137 O +ATOM 1183 CB ALA A 148 33.015 19.327 7.014 1.00 28.70 C +ANISOU 1183 CB ALA A 148 3308 3358 4240 779 -1312 -1202 C +ATOM 1184 N GLN A 149 31.438 21.816 8.094 1.00 26.10 N +ANISOU 1184 N GLN A 149 3103 2973 3842 677 -1269 -1220 N +ATOM 1185 CA GLN A 149 30.194 22.542 8.321 1.00 27.24 C +ANISOU 1185 CA GLN A 149 3338 3089 3923 654 -1199 -1187 C +ATOM 1186 C GLN A 149 30.193 23.847 7.528 1.00 28.57 C +ANISOU 1186 C GLN A 149 3436 3222 4197 576 -1125 -1195 C +ATOM 1187 O GLN A 149 29.192 24.215 6.926 1.00 25.83 O +ANISOU 1187 O GLN A 149 3117 2857 3839 551 -1027 -1131 O +ATOM 1188 CB GLN A 149 29.979 22.816 9.810 1.00 30.41 C +ANISOU 1188 CB GLN A 149 3845 3482 4226 695 -1278 -1237 C +ATOM 1189 CG GLN A 149 29.179 24.082 10.114 1.00 39.06 C +ANISOU 1189 CG GLN A 149 4996 4536 5309 667 -1222 -1256 C +ATOM 1190 CD GLN A 149 27.743 24.053 9.615 1.00 51.72 C +ANISOU 1190 CD GLN A 149 6647 6136 6867 665 -1092 -1161 C +ATOM 1191 OE1 GLN A 149 27.223 25.061 9.119 1.00 46.10 O +ANISOU 1191 OE1 GLN A 149 5917 5387 6211 628 -1016 -1149 O +ATOM 1192 NE2 GLN A 149 27.085 22.913 9.763 1.00 36.93 N +ANISOU 1192 NE2 GLN A 149 4834 4298 4901 703 -1072 -1090 N +ATOM 1193 N LYS A 150 31.325 24.540 7.521 1.00 28.65 N +ANISOU 1193 N LYS A 150 3350 3218 4316 535 -1179 -1267 N +ATOM 1194 CA LYS A 150 31.402 25.832 6.863 1.00 31.33 C +ANISOU 1194 CA LYS A 150 3633 3509 4763 454 -1116 -1272 C +ATOM 1195 C LYS A 150 31.285 25.689 5.354 1.00 31.62 C +ANISOU 1195 C LYS A 150 3602 3559 4852 414 -999 -1190 C +ATOM 1196 O LYS A 150 30.657 26.513 4.694 1.00 30.99 O +ANISOU 1196 O LYS A 150 3535 3441 4801 368 -913 -1141 O +ATOM 1197 CB LYS A 150 32.694 26.545 7.253 1.00 36.13 C +ANISOU 1197 CB LYS A 150 4147 4097 5483 407 -1208 -1368 C +ATOM 1198 CG LYS A 150 32.692 26.978 8.709 1.00 49.54 C +ANISOU 1198 CG LYS A 150 5934 5768 7120 433 -1324 -1457 C +ATOM 1199 CD LYS A 150 33.988 27.657 9.121 1.00 91.51 C +ANISOU 1199 CD LYS A 150 11154 11065 12553 376 -1440 -1559 C +ATOM 1200 CE LYS A 150 33.900 28.139 10.558 1.00 85.70 C +ANISOU 1200 CE LYS A 150 10533 10296 11734 401 -1561 -1656 C +ATOM 1201 NZ LYS A 150 35.138 28.847 10.986 1.00 90.22 N +ANISOU 1201 NZ LYS A 150 11013 10844 12424 332 -1693 -1764 N +ATOM 1202 N ILE A 151 31.861 24.626 4.808 1.00 27.65 N +ANISOU 1202 N ILE A 151 3041 3110 4355 439 -997 -1175 N +ATOM 1203 CA ILE A 151 31.717 24.344 3.384 1.00 29.51 C +ANISOU 1203 CA ILE A 151 3236 3366 4610 412 -887 -1104 C +ATOM 1204 C ILE A 151 30.266 24.013 3.053 1.00 28.11 C +ANISOU 1204 C ILE A 151 3167 3186 4329 428 -825 -1021 C +ATOM 1205 O ILE A 151 29.714 24.517 2.070 1.00 27.79 O +ANISOU 1205 O ILE A 151 3126 3132 4300 383 -738 -957 O +ATOM 1206 CB ILE A 151 32.630 23.185 2.944 1.00 30.71 C +ANISOU 1206 CB ILE A 151 3317 3571 4780 453 -897 -1119 C +ATOM 1207 CG1 ILE A 151 34.097 23.608 3.038 1.00 36.88 C +ANISOU 1207 CG1 ILE A 151 3952 4366 5694 426 -940 -1189 C +ATOM 1208 CG2 ILE A 151 32.302 22.754 1.525 1.00 32.31 C +ANISOU 1208 CG2 ILE A 151 3518 3795 4963 437 -783 -1051 C +ATOM 1209 CD1 ILE A 151 35.068 22.449 2.950 1.00 41.76 C +ANISOU 1209 CD1 ILE A 151 4493 5037 6337 495 -976 -1221 C +ATOM 1210 N VAL A 152 29.644 23.178 3.880 1.00 25.43 N +ANISOU 1210 N VAL A 152 2917 2858 3889 489 -874 -1016 N +ATOM 1211 CA VAL A 152 28.277 22.743 3.632 1.00 23.49 C +ANISOU 1211 CA VAL A 152 2756 2615 3554 499 -823 -936 C +ATOM 1212 C VAL A 152 27.324 23.933 3.643 1.00 24.59 C +ANISOU 1212 C VAL A 152 2924 2718 3701 468 -771 -902 C +ATOM 1213 O VAL A 152 26.413 24.021 2.824 1.00 26.33 O +ANISOU 1213 O VAL A 152 3158 2941 3906 446 -705 -825 O +ATOM 1214 CB VAL A 152 27.830 21.689 4.662 1.00 23.55 C +ANISOU 1214 CB VAL A 152 2852 2636 3461 562 -882 -933 C +ATOM 1215 CG1 VAL A 152 26.318 21.505 4.619 1.00 24.86 C +ANISOU 1215 CG1 VAL A 152 3092 2801 3551 558 -828 -851 C +ATOM 1216 CG2 VAL A 152 28.552 20.375 4.394 1.00 24.67 C +ANISOU 1216 CG2 VAL A 152 2980 2800 3595 599 -920 -943 C +ATOM 1217 N ARG A 153 27.548 24.861 4.566 1.00 22.55 N +ANISOU 1217 N ARG A 153 2675 2423 3469 471 -809 -962 N +ATOM 1218 CA ARG A 153 26.697 26.039 4.671 1.00 23.81 C +ANISOU 1218 CA ARG A 153 2869 2534 3644 457 -761 -942 C +ATOM 1219 C ARG A 153 26.749 26.847 3.380 1.00 23.46 C +ANISOU 1219 C ARG A 153 2766 2462 3687 395 -689 -891 C +ATOM 1220 O ARG A 153 25.730 27.339 2.894 1.00 23.81 O +ANISOU 1220 O ARG A 153 2834 2486 3725 391 -628 -820 O +ATOM 1221 CB ARG A 153 27.142 26.901 5.844 1.00 26.68 C +ANISOU 1221 CB ARG A 153 3259 2851 4025 468 -822 -1038 C +ATOM 1222 CG ARG A 153 26.414 28.221 5.944 1.00 37.89 C +ANISOU 1222 CG ARG A 153 4716 4201 5479 460 -772 -1034 C +ATOM 1223 CD ARG A 153 25.000 28.005 6.444 1.00 37.88 C +ANISOU 1223 CD ARG A 153 4796 4215 5381 522 -725 -985 C +ATOM 1224 NE ARG A 153 24.210 29.214 6.342 1.00 49.53 N +ANISOU 1224 NE ARG A 153 6294 5624 6899 529 -662 -966 N +ATOM 1225 CZ ARG A 153 22.939 29.288 6.710 1.00 28.77 C +ANISOU 1225 CZ ARG A 153 3715 3002 4214 586 -604 -923 C +ATOM 1226 NH1 ARG A 153 22.338 28.211 7.195 1.00 43.79 N +ANISOU 1226 NH1 ARG A 153 5649 4976 6014 627 -599 -889 N +ATOM 1227 NH2 ARG A 153 22.284 30.430 6.593 1.00 44.07 N +ANISOU 1227 NH2 ARG A 153 5667 4872 6205 604 -548 -909 N +ATOM 1228 N GLN A 154 27.943 26.984 2.822 1.00 26.20 N +ANISOU 1228 N GLN A 154 3030 2809 4115 348 -695 -922 N +ATOM 1229 CA GLN A 154 28.102 27.649 1.542 1.00 25.48 C +ANISOU 1229 CA GLN A 154 2887 2699 4095 284 -618 -863 C +ATOM 1230 C GLN A 154 27.315 26.946 0.429 1.00 25.14 C +ANISOU 1230 C GLN A 154 2866 2702 3984 288 -557 -767 C +ATOM 1231 O GLN A 154 26.681 27.610 -0.402 1.00 28.89 O +ANISOU 1231 O GLN A 154 3352 3154 4471 259 -498 -689 O +ATOM 1232 CB GLN A 154 29.580 27.741 1.161 1.00 32.45 C +ANISOU 1232 CB GLN A 154 3666 3591 5072 233 -623 -910 C +ATOM 1233 CG GLN A 154 29.818 28.572 -0.088 1.00 50.90 C +ANISOU 1233 CG GLN A 154 5955 5901 7483 157 -532 -846 C +ATOM 1234 CD GLN A 154 31.253 28.516 -0.568 1.00106.17 C +ANISOU 1234 CD GLN A 154 12837 12929 14575 107 -513 -880 C +ATOM 1235 OE1 GLN A 154 31.518 28.220 -1.736 1.00 68.33 O +ANISOU 1235 OE1 GLN A 154 8007 8178 9777 82 -430 -825 O +ATOM 1236 NE2 GLN A 154 32.190 28.807 0.329 1.00143.26 N +ANISOU 1236 NE2 GLN A 154 17471 17608 19354 91 -590 -972 N +ATOM 1237 N ARG A 155 27.355 25.615 0.409 1.00 26.45 N +ANISOU 1237 N ARG A 155 3044 2928 4080 323 -581 -772 N +ATOM 1238 CA ARG A 155 26.644 24.842 -0.614 1.00 24.32 C +ANISOU 1238 CA ARG A 155 2803 2697 3740 321 -540 -696 C +ATOM 1239 C ARG A 155 25.138 24.971 -0.431 1.00 25.26 C +ANISOU 1239 C ARG A 155 2984 2808 3804 338 -534 -628 C +ATOM 1240 O ARG A 155 24.390 25.055 -1.404 1.00 24.15 O +ANISOU 1240 O ARG A 155 2856 2680 3641 315 -496 -549 O +ATOM 1241 CB ARG A 155 27.032 23.370 -0.543 1.00 26.74 C +ANISOU 1241 CB ARG A 155 3120 3048 3991 359 -575 -728 C +ATOM 1242 CG ARG A 155 28.518 23.115 -0.648 1.00 35.67 C +ANISOU 1242 CG ARG A 155 4174 4195 5183 362 -583 -798 C +ATOM 1243 CD ARG A 155 29.101 23.710 -1.912 1.00 36.78 C +ANISOU 1243 CD ARG A 155 4253 4345 5376 306 -499 -771 C +ATOM 1244 NE ARG A 155 30.501 23.337 -2.042 1.00 47.69 N +ANISOU 1244 NE ARG A 155 5545 5755 6820 316 -494 -835 N +ATOM 1245 CZ ARG A 155 31.358 23.911 -2.876 1.00 67.39 C +ANISOU 1245 CZ ARG A 155 7956 8262 9387 267 -418 -830 C +ATOM 1246 NH1 ARG A 155 30.957 24.893 -3.670 1.00115.37 N +ANISOU 1246 NH1 ARG A 155 14045 14317 15474 203 -346 -760 N +ATOM 1247 NH2 ARG A 155 32.616 23.499 -2.913 1.00 55.79 N +ANISOU 1247 NH2 ARG A 155 6387 6827 7982 285 -413 -890 N +ATOM 1248 N GLN A 156 24.702 24.981 0.824 1.00 23.15 N +ANISOU 1248 N GLN A 156 2753 2527 3515 381 -572 -660 N +ATOM 1249 CA GLN A 156 23.291 25.175 1.143 1.00 22.50 C +ANISOU 1249 CA GLN A 156 2713 2442 3395 404 -555 -600 C +ATOM 1250 C GLN A 156 22.789 26.497 0.589 1.00 23.08 C +ANISOU 1250 C GLN A 156 2770 2471 3527 385 -507 -549 C +ATOM 1251 O GLN A 156 21.690 26.570 0.028 1.00 22.62 O +ANISOU 1251 O GLN A 156 2716 2426 3452 387 -481 -463 O +ATOM 1252 CB GLN A 156 23.081 25.123 2.652 1.00 21.64 C +ANISOU 1252 CB GLN A 156 2648 2324 3251 456 -587 -653 C +ATOM 1253 CG GLN A 156 23.250 23.738 3.259 1.00 21.66 C +ANISOU 1253 CG GLN A 156 2686 2365 3177 484 -635 -673 C +ATOM 1254 CD GLN A 156 23.122 23.773 4.767 1.00 26.65 C +ANISOU 1254 CD GLN A 156 3375 2990 3759 536 -665 -721 C +ATOM 1255 OE1 GLN A 156 23.711 24.625 5.421 1.00 26.75 O +ANISOU 1255 OE1 GLN A 156 3392 2970 3802 548 -689 -794 O +ATOM 1256 NE2 GLN A 156 22.334 22.863 5.323 1.00 24.02 N +ANISOU 1256 NE2 GLN A 156 3094 2687 3345 561 -663 -680 N +ATOM 1257 N GLU A 157 23.598 27.540 0.738 1.00 22.71 N +ANISOU 1257 N GLU A 157 2703 2368 3559 367 -503 -598 N +ATOM 1258 CA GLU A 157 23.247 28.856 0.218 1.00 24.74 C +ANISOU 1258 CA GLU A 157 2954 2561 3884 348 -459 -549 C +ATOM 1259 C GLU A 157 23.195 28.857 -1.305 1.00 25.66 C +ANISOU 1259 C GLU A 157 3048 2698 4002 301 -419 -458 C +ATOM 1260 O GLU A 157 22.297 29.457 -1.900 1.00 24.88 O +ANISOU 1260 O GLU A 157 2960 2580 3912 305 -392 -371 O +ATOM 1261 CB GLU A 157 24.245 29.903 0.714 1.00 27.37 C +ANISOU 1261 CB GLU A 157 3275 2818 4308 322 -470 -628 C +ATOM 1262 CG GLU A 157 24.201 30.121 2.215 1.00 36.22 C +ANISOU 1262 CG GLU A 157 4439 3907 5416 372 -514 -722 C +ATOM 1263 CD GLU A 157 25.205 31.157 2.682 1.00 58.97 C +ANISOU 1263 CD GLU A 157 7311 6705 8389 334 -544 -810 C +ATOM 1264 OE1 GLU A 157 25.849 31.788 1.821 1.00 67.50 O +ANISOU 1264 OE1 GLU A 157 8344 7744 9557 265 -517 -785 O +ATOM 1265 OE2 GLU A 157 25.351 31.336 3.909 1.00129.78 O +ANISOU 1265 OE2 GLU A 157 16323 15648 17339 368 -594 -905 O +ATOM 1266 N GLU A 158 24.152 28.184 -1.933 1.00 24.59 N +ANISOU 1266 N GLU A 158 2884 2605 3854 262 -416 -477 N +ATOM 1267 CA GLU A 158 24.207 28.113 -3.388 1.00 26.77 C +ANISOU 1267 CA GLU A 158 3153 2910 4109 219 -372 -399 C +ATOM 1268 C GLU A 158 22.982 27.415 -3.974 1.00 25.64 C +ANISOU 1268 C GLU A 158 3047 2818 3878 236 -383 -320 C +ATOM 1269 O GLU A 158 22.583 27.709 -5.098 1.00 26.66 O +ANISOU 1269 O GLU A 158 3189 2956 3983 210 -358 -235 O +ATOM 1270 CB GLU A 158 25.495 27.415 -3.845 1.00 31.77 C +ANISOU 1270 CB GLU A 158 3747 3585 4739 189 -355 -450 C +ATOM 1271 CG GLU A 158 26.750 28.191 -3.488 1.00 43.58 C +ANISOU 1271 CG GLU A 158 5181 5037 6342 153 -342 -513 C +ATOM 1272 CD GLU A 158 28.026 27.464 -3.859 1.00 44.48 C +ANISOU 1272 CD GLU A 158 5232 5202 6466 136 -323 -566 C +ATOM 1273 OE1 GLU A 158 27.949 26.459 -4.596 1.00 59.90 O +ANISOU 1273 OE1 GLU A 158 7204 7217 8338 151 -303 -547 O +ATOM 1274 OE2 GLU A 158 29.110 27.903 -3.413 1.00 68.98 O +ANISOU 1274 OE2 GLU A 158 8263 8282 9663 109 -329 -630 O +ATOM 1275 N LEU A 159 22.385 26.502 -3.211 1.00 22.31 N +ANISOU 1275 N LEU A 159 2643 2428 3406 274 -426 -345 N +ATOM 1276 CA LEU A 159 21.183 25.792 -3.650 1.00 22.85 C +ANISOU 1276 CA LEU A 159 2735 2543 3405 279 -448 -275 C +ATOM 1277 C LEU A 159 19.912 26.598 -3.358 1.00 22.70 C +ANISOU 1277 C LEU A 159 2708 2502 3415 310 -445 -206 C +ATOM 1278 O LEU A 159 18.802 26.167 -3.677 1.00 23.20 O +ANISOU 1278 O LEU A 159 2769 2604 3441 312 -467 -138 O +ATOM 1279 CB LEU A 159 21.088 24.430 -2.966 1.00 23.61 C +ANISOU 1279 CB LEU A 159 2851 2675 3444 298 -489 -321 C +ATOM 1280 CG LEU A 159 22.180 23.423 -3.335 1.00 22.59 C +ANISOU 1280 CG LEU A 159 2733 2569 3282 284 -497 -382 C +ATOM 1281 CD1 LEU A 159 22.113 22.222 -2.401 1.00 24.13 C +ANISOU 1281 CD1 LEU A 159 2956 2774 3437 314 -542 -426 C +ATOM 1282 CD2 LEU A 159 22.073 22.983 -4.791 1.00 25.10 C +ANISOU 1282 CD2 LEU A 159 3074 2921 3542 245 -485 -336 C +ATOM 1283 N CYS A 160 20.084 27.753 -2.729 1.00 22.45 N +ANISOU 1283 N CYS A 160 2669 2405 3458 335 -421 -229 N +ATOM 1284 CA CYS A 160 18.972 28.594 -2.321 1.00 22.83 C +ANISOU 1284 CA CYS A 160 2709 2420 3545 384 -408 -180 C +ATOM 1285 C CYS A 160 18.088 27.903 -1.291 1.00 24.46 C +ANISOU 1285 C CYS A 160 2914 2666 3715 430 -419 -193 C +ATOM 1286 O CYS A 160 16.866 28.065 -1.311 1.00 24.89 O +ANISOU 1286 O CYS A 160 2942 2738 3777 463 -411 -122 O +ATOM 1287 CB CYS A 160 18.155 29.024 -3.539 1.00 22.05 C +ANISOU 1287 CB CYS A 160 2598 2330 3449 373 -407 -61 C +ATOM 1288 SG CYS A 160 19.180 29.844 -4.791 1.00 25.78 S +ANISOU 1288 SG CYS A 160 3088 2758 3949 314 -378 -26 S +ATOM 1289 N LEU A 161 18.716 27.161 -0.377 1.00 21.95 N +ANISOU 1289 N LEU A 161 2618 2361 3359 435 -435 -279 N +ATOM 1290 CA LEU A 161 17.984 26.356 0.593 1.00 22.32 C +ANISOU 1290 CA LEU A 161 2675 2449 3355 469 -439 -284 C +ATOM 1291 C LEU A 161 18.411 26.615 2.039 1.00 22.92 C +ANISOU 1291 C LEU A 161 2790 2496 3424 517 -433 -377 C +ATOM 1292 O LEU A 161 17.910 25.970 2.957 1.00 24.09 O +ANISOU 1292 O LEU A 161 2960 2676 3517 547 -428 -383 O +ATOM 1293 CB LEU A 161 18.161 24.878 0.288 1.00 21.28 C +ANISOU 1293 CB LEU A 161 2558 2372 3157 428 -478 -281 C +ATOM 1294 CG LEU A 161 17.485 24.327 -0.961 1.00 22.06 C +ANISOU 1294 CG LEU A 161 2635 2512 3235 381 -498 -196 C +ATOM 1295 CD1 LEU A 161 17.733 22.827 -1.046 1.00 23.61 C +ANISOU 1295 CD1 LEU A 161 2864 2740 3365 347 -538 -216 C +ATOM 1296 CD2 LEU A 161 15.999 24.636 -0.964 1.00 25.22 C +ANISOU 1296 CD2 LEU A 161 2991 2936 3656 399 -485 -106 C +ATOM 1297 N ALA A 162 19.337 27.547 2.244 1.00 24.00 N +ANISOU 1297 N ALA A 162 2939 2570 3611 518 -435 -446 N +ATOM 1298 CA ALA A 162 20.108 27.588 3.492 1.00 25.00 C +ANISOU 1298 CA ALA A 162 3110 2673 3716 545 -462 -555 C +ATOM 1299 C ALA A 162 19.229 27.855 4.723 1.00 28.27 C +ANISOU 1299 C ALA A 162 3567 3084 4090 617 -428 -573 C +ATOM 1300 O ALA A 162 19.603 27.508 5.846 1.00 28.22 O +ANISOU 1300 O ALA A 162 3614 3086 4021 646 -453 -645 O +ATOM 1301 CB ALA A 162 21.207 28.638 3.405 1.00 30.58 C +ANISOU 1301 CB ALA A 162 3812 3307 4501 519 -478 -624 C +ATOM 1302 N ARG A 163 18.067 28.462 4.510 1.00 26.59 N +ANISOU 1302 N ARG A 163 3331 2863 3908 652 -370 -505 N +ATOM 1303 CA ARG A 163 17.158 28.790 5.604 1.00 25.49 C +ANISOU 1303 CA ARG A 163 3223 2725 3738 731 -314 -518 C +ATOM 1304 C ARG A 163 16.150 27.683 5.914 1.00 25.44 C +ANISOU 1304 C ARG A 163 3198 2805 3661 742 -283 -448 C +ATOM 1305 O ARG A 163 15.334 27.831 6.827 1.00 27.17 O +ANISOU 1305 O ARG A 163 3435 3042 3846 807 -219 -447 O +ATOM 1306 CB ARG A 163 16.401 30.076 5.287 1.00 29.47 C +ANISOU 1306 CB ARG A 163 3701 3169 4327 779 -259 -483 C +ATOM 1307 CG ARG A 163 17.296 31.280 5.058 1.00 34.06 C +ANISOU 1307 CG ARG A 163 4310 3643 4987 764 -280 -547 C +ATOM 1308 CD ARG A 163 16.479 32.534 4.771 1.00 52.37 C +ANISOU 1308 CD ARG A 163 6617 5888 7394 824 -225 -504 C +ATOM 1309 NE ARG A 163 15.539 32.848 5.847 1.00 52.15 N +ANISOU 1309 NE ARG A 163 6617 5860 7339 926 -157 -533 N +ATOM 1310 CZ ARG A 163 14.216 32.755 5.744 1.00 61.10 C +ANISOU 1310 CZ ARG A 163 7690 7044 8483 987 -94 -443 C +ATOM 1311 NH1 ARG A 163 13.655 32.356 4.608 1.00 73.98 N +ANISOU 1311 NH1 ARG A 163 9233 8728 10149 951 -110 -319 N +ATOM 1312 NH2 ARG A 163 13.449 33.067 6.782 1.00 55.20 N +ANISOU 1312 NH2 ARG A 163 6967 6297 7708 1087 -16 -478 N +ATOM 1313 N GLN A 164 16.200 26.589 5.155 1.00 25.69 N +ANISOU 1313 N GLN A 164 3197 2888 3674 678 -323 -389 N +ATOM 1314 CA GLN A 164 15.061 25.677 5.035 1.00 22.61 C +ANISOU 1314 CA GLN A 164 2765 2568 3257 665 -297 -294 C +ATOM 1315 C GLN A 164 15.379 24.257 5.506 1.00 23.41 C +ANISOU 1315 C GLN A 164 2912 2710 3274 630 -332 -301 C +ATOM 1316 O GLN A 164 14.581 23.338 5.312 1.00 24.36 O +ANISOU 1316 O GLN A 164 3002 2877 3376 596 -325 -223 O +ATOM 1317 CB GLN A 164 14.577 25.636 3.592 1.00 22.44 C +ANISOU 1317 CB GLN A 164 2670 2564 3294 614 -320 -203 C +ATOM 1318 CG GLN A 164 14.067 26.974 3.090 1.00 27.11 C +ANISOU 1318 CG GLN A 164 3214 3116 3969 655 -288 -168 C +ATOM 1319 CD GLN A 164 13.593 26.886 1.658 1.00 28.37 C +ANISOU 1319 CD GLN A 164 3311 3300 4167 606 -325 -72 C +ATOM 1320 OE1 GLN A 164 12.613 26.204 1.360 1.00 31.47 O +ANISOU 1320 OE1 GLN A 164 3647 3755 4555 583 -333 8 O +ATOM 1321 NE2 GLN A 164 14.301 27.559 0.760 1.00 34.49 N +ANISOU 1321 NE2 GLN A 164 4099 4028 4979 583 -352 -76 N +ATOM 1322 N TYR A 165 16.542 24.083 6.125 1.00 24.53 N +ANISOU 1322 N TYR A 165 3124 2826 3371 639 -376 -391 N +ATOM 1323 CA TYR A 165 16.941 22.775 6.627 1.00 23.16 C +ANISOU 1323 CA TYR A 165 3005 2676 3118 621 -418 -398 C +ATOM 1324 C TYR A 165 16.489 22.592 8.065 1.00 25.49 C +ANISOU 1324 C TYR A 165 3364 2992 3327 674 -373 -407 C +ATOM 1325 O TYR A 165 16.331 23.557 8.818 1.00 26.45 O +ANISOU 1325 O TYR A 165 3512 3100 3438 734 -327 -454 O +ATOM 1326 CB TYR A 165 18.458 22.586 6.553 1.00 23.12 C +ANISOU 1326 CB TYR A 165 3033 2640 3110 611 -499 -485 C +ATOM 1327 CG TYR A 165 19.016 22.372 5.163 1.00 21.35 C +ANISOU 1327 CG TYR A 165 2759 2408 2945 555 -535 -473 C +ATOM 1328 CD1 TYR A 165 19.251 23.449 4.317 1.00 22.15 C +ANISOU 1328 CD1 TYR A 165 2811 2483 3124 539 -521 -480 C +ATOM 1329 CD2 TYR A 165 19.332 21.101 4.706 1.00 22.21 C +ANISOU 1329 CD2 TYR A 165 2882 2531 3026 521 -578 -455 C +ATOM 1330 CE1 TYR A 165 19.777 23.267 3.060 1.00 19.62 C +ANISOU 1330 CE1 TYR A 165 2455 2161 2839 490 -542 -466 C +ATOM 1331 CE2 TYR A 165 19.852 20.909 3.438 1.00 22.88 C +ANISOU 1331 CE2 TYR A 165 2933 2612 3150 478 -600 -453 C +ATOM 1332 CZ TYR A 165 20.070 22.000 2.619 1.00 22.02 C +ANISOU 1332 CZ TYR A 165 2774 2489 3105 462 -578 -457 C +ATOM 1333 OH TYR A 165 20.602 21.825 1.362 1.00 21.36 O +ANISOU 1333 OH TYR A 165 2666 2408 3044 422 -587 -452 O +ATOM 1334 N ARG A 166 16.305 21.337 8.446 1.00 24.17 N +ANISOU 1334 N ARG A 166 3237 2855 3093 652 -384 -362 N +ATOM 1335 CA ARG A 166 16.131 20.976 9.840 1.00 26.52 C +ANISOU 1335 CA ARG A 166 3621 3172 3284 697 -352 -368 C +ATOM 1336 C ARG A 166 17.061 19.837 10.198 1.00 26.26 C +ANISOU 1336 C ARG A 166 3667 3126 3184 686 -438 -388 C +ATOM 1337 O ARG A 166 17.390 19.001 9.354 1.00 25.72 O +ANISOU 1337 O ARG A 166 3578 3044 3151 634 -493 -362 O +ATOM 1338 CB ARG A 166 14.684 20.583 10.112 1.00 31.54 C +ANISOU 1338 CB ARG A 166 4224 3856 3903 687 -254 -262 C +ATOM 1339 CG ARG A 166 13.705 21.728 9.928 1.00 39.15 C +ANISOU 1339 CG ARG A 166 5105 4837 4934 722 -163 -241 C +ATOM 1340 CD ARG A 166 12.318 21.362 10.434 1.00 52.12 C +ANISOU 1340 CD ARG A 166 6706 6540 6557 724 -52 -141 C +ATOM 1341 NE ARG A 166 11.453 22.531 10.567 1.00 72.14 N +ANISOU 1341 NE ARG A 166 9174 9092 9144 792 47 -138 N +ATOM 1342 CZ ARG A 166 10.667 22.995 9.598 1.00 65.44 C +ANISOU 1342 CZ ARG A 166 8199 8255 8410 778 64 -77 C +ATOM 1343 NH1 ARG A 166 10.637 22.391 8.417 1.00 64.00 N +ANISOU 1343 NH1 ARG A 166 7952 8075 8291 691 -14 -19 N +ATOM 1344 NH2 ARG A 166 9.913 24.065 9.810 1.00 71.88 N +ANISOU 1344 NH2 ARG A 166 8959 9078 9274 859 156 -76 N +ATOM 1345 N LEU A 167 17.488 19.816 11.454 1.00 24.66 N +ANISOU 1345 N LEU A 167 3564 2926 2879 742 -452 -436 N +ATOM 1346 CA LEU A 167 18.390 18.787 11.924 1.00 24.24 C +ANISOU 1346 CA LEU A 167 3593 2858 2757 748 -542 -452 C +ATOM 1347 C LEU A 167 17.658 17.461 12.060 1.00 26.89 C +ANISOU 1347 C LEU A 167 3965 3207 3046 711 -513 -340 C +ATOM 1348 O LEU A 167 16.462 17.416 12.365 1.00 28.88 O +ANISOU 1348 O LEU A 167 4205 3493 3275 697 -411 -260 O +ATOM 1349 CB LEU A 167 19.002 19.183 13.266 1.00 27.44 C +ANISOU 1349 CB LEU A 167 4105 3268 3054 820 -577 -531 C +ATOM 1350 CG LEU A 167 19.745 20.519 13.285 1.00 30.31 C +ANISOU 1350 CG LEU A 167 4448 3608 3463 850 -615 -652 C +ATOM 1351 CD1 LEU A 167 20.340 20.763 14.659 1.00 32.99 C +ANISOU 1351 CD1 LEU A 167 4907 3951 3678 914 -670 -734 C +ATOM 1352 CD2 LEU A 167 20.826 20.551 12.216 1.00 29.59 C +ANISOU 1352 CD2 LEU A 167 4274 3483 3486 812 -704 -698 C +ATOM 1353 N ILE A 168 18.390 16.388 11.829 1.00 27.18 N +ANISOU 1353 N ILE A 168 4039 3210 3078 694 -601 -333 N +ATOM 1354 CA ILE A 168 17.875 15.035 11.962 1.00 27.31 C +ANISOU 1354 CA ILE A 168 4108 3213 3056 654 -593 -233 C +ATOM 1355 C ILE A 168 18.466 14.364 13.193 1.00 32.06 C +ANISOU 1355 C ILE A 168 4845 3802 3535 709 -646 -232 C +ATOM 1356 O ILE A 168 19.685 14.242 13.317 1.00 35.12 O +ANISOU 1356 O ILE A 168 5267 4163 3913 756 -754 -305 O +ATOM 1357 CB ILE A 168 18.260 14.206 10.731 1.00 27.31 C +ANISOU 1357 CB ILE A 168 4068 3166 3141 601 -659 -225 C +ATOM 1358 CG1 ILE A 168 17.598 14.780 9.482 1.00 28.84 C +ANISOU 1358 CG1 ILE A 168 4142 3377 3437 541 -615 -212 C +ATOM 1359 CG2 ILE A 168 17.885 12.747 10.925 1.00 31.47 C +ANISOU 1359 CG2 ILE A 168 4671 3654 3631 560 -670 -133 C +ATOM 1360 CD1 ILE A 168 18.233 14.306 8.198 1.00 36.01 C +ANISOU 1360 CD1 ILE A 168 5017 4247 4417 506 -682 -242 C +ATOM 1361 N VAL A 169 17.605 13.921 14.099 1.00 34.72 N +ANISOU 1361 N VAL A 169 5255 4160 3777 704 -569 -143 N +ATOM 1362 CA VAL A 169 18.065 13.244 15.306 1.00 40.77 C +ANISOU 1362 CA VAL A 169 6168 4915 4406 756 -614 -122 C +ATOM 1363 C VAL A 169 18.315 11.763 15.043 1.00 45.70 C +ANISOU 1363 C VAL A 169 6849 5472 5042 722 -681 -48 C +ATOM 1364 O VAL A 169 17.648 11.144 14.206 1.00 42.36 O +ANISOU 1364 O VAL A 169 6373 5021 4701 640 -647 20 O +ATOM 1365 CB VAL A 169 17.058 13.401 16.461 1.00 47.30 C +ANISOU 1365 CB VAL A 169 7066 5796 5108 770 -489 -51 C +ATOM 1366 CG1 VAL A 169 15.720 12.781 16.092 1.00 50.42 C +ANISOU 1366 CG1 VAL A 169 7406 6200 5552 679 -373 82 C +ATOM 1367 CG2 VAL A 169 17.613 12.780 17.734 1.00 66.82 C +ANISOU 1367 CG2 VAL A 169 9710 8262 7417 831 -544 -30 C +ATOM 1368 N HIS A 170 19.290 11.212 15.760 1.00 44.57 N +ANISOU 1368 N HIS A 170 6818 5298 4818 789 -786 -67 N +ATOM 1369 CA HIS A 170 19.550 9.779 15.759 1.00 45.36 C +ANISOU 1369 CA HIS A 170 7005 5320 4909 778 -850 9 C +ATOM 1370 C HIS A 170 19.463 9.234 17.180 1.00 58.12 C +ANISOU 1370 C HIS A 170 8786 6939 6359 822 -849 89 C +ATOM 1371 O HIS A 170 20.328 9.510 18.012 1.00 55.19 O +ANISOU 1371 O HIS A 170 8491 6587 5892 912 -935 32 O +ATOM 1372 CB HIS A 170 20.936 9.497 15.173 1.00 49.74 C +ANISOU 1372 CB HIS A 170 7538 5825 5537 832 -994 -81 C +ATOM 1373 CG HIS A 170 21.080 9.921 13.744 1.00 54.66 C +ANISOU 1373 CG HIS A 170 8016 6444 6308 789 -990 -150 C +ATOM 1374 ND1 HIS A 170 20.825 9.072 12.689 1.00 40.92 N +ANISOU 1374 ND1 HIS A 170 6249 4642 4657 727 -988 -114 N +ATOM 1375 CD2 HIS A 170 21.443 11.104 13.196 1.00 57.08 C +ANISOU 1375 CD2 HIS A 170 8209 6796 6681 797 -986 -250 C +ATOM 1376 CE1 HIS A 170 21.023 9.713 11.551 1.00 38.49 C +ANISOU 1376 CE1 HIS A 170 5821 4353 4452 702 -981 -188 C +ATOM 1377 NE2 HIS A 170 21.400 10.948 11.831 1.00 43.38 N +ANISOU 1377 NE2 HIS A 170 6383 5035 5064 742 -977 -265 N +ATOM 1378 N ASN A 171 18.412 8.463 17.452 1.00 49.23 N +ANISOU 1378 N ASN A 171 7714 5795 5196 753 -753 226 N +ATOM 1379 CA ASN A 171 18.116 8.010 18.811 1.00 56.45 C +ANISOU 1379 CA ASN A 171 8789 6722 5939 782 -714 324 C +ATOM 1380 C ASN A 171 17.631 6.561 18.852 1.00 58.65 C +ANISOU 1380 C ASN A 171 9155 6912 6217 713 -698 475 C +ATOM 1381 O ASN A 171 16.971 6.144 19.805 1.00 79.36 O +ANISOU 1381 O ASN A 171 11887 9547 8719 694 -612 596 O +ATOM 1382 CB ASN A 171 17.074 8.926 19.464 1.00 50.48 C +ANISOU 1382 CB ASN A 171 8013 6066 5100 770 -552 346 C +ATOM 1383 CG ASN A 171 15.798 9.043 18.648 1.00 62.34 C +ANISOU 1383 CG ASN A 171 9372 7589 6725 662 -415 405 C +ATOM 1384 OD1 ASN A 171 15.374 8.092 17.989 1.00 56.15 O +ANISOU 1384 OD1 ASN A 171 8561 6740 6032 571 -414 490 O +ATOM 1385 ND2 ASN A 171 15.174 10.214 18.695 1.00 57.78 N +ANISOU 1385 ND2 ASN A 171 8704 7097 6154 672 -307 360 N +ATOM 1386 N GLY A 172 17.963 5.798 17.816 1.00 57.51 N +ANISOU 1386 N GLY A 172 8971 6674 6208 673 -776 468 N +ATOM 1387 CA GLY A 172 17.855 4.343 17.857 1.00 61.52 C +ANISOU 1387 CA GLY A 172 9590 7063 6721 629 -809 586 C +ATOM 1388 C GLY A 172 16.450 3.825 17.607 1.00 62.80 C +ANISOU 1388 C GLY A 172 9723 7207 6933 484 -677 716 C +ATOM 1389 O GLY A 172 16.138 2.680 17.941 1.00 63.02 O +ANISOU 1389 O GLY A 172 9864 7142 6938 432 -671 843 O +ATOM 1390 N TYR A 173 15.594 4.657 17.021 1.00 72.65 N +ANISOU 1390 N TYR A 173 10812 8535 8255 417 -575 689 N +ATOM 1391 CA TYR A 173 14.210 4.265 16.785 1.00 55.37 C +ANISOU 1391 CA TYR A 173 8564 6348 6128 275 -452 810 C +ATOM 1392 C TYR A 173 14.148 3.044 15.879 1.00 65.02 C +ANISOU 1392 C TYR A 173 9802 7433 7468 179 -525 851 C +ATOM 1393 O TYR A 173 13.209 2.250 15.952 1.00 75.84 O +ANISOU 1393 O TYR A 173 11192 8756 8869 58 -458 982 O +ATOM 1394 CB TYR A 173 13.411 5.405 16.155 1.00 66.57 C +ANISOU 1394 CB TYR A 173 9791 7874 7628 235 -359 760 C +ATOM 1395 CG TYR A 173 12.048 4.968 15.661 1.00 79.66 C +ANISOU 1395 CG TYR A 173 11350 9531 9388 82 -264 871 C +ATOM 1396 CD1 TYR A 173 10.949 4.965 16.511 1.00 85.37 C +ANISOU 1396 CD1 TYR A 173 12063 10317 10056 29 -107 998 C +ATOM 1397 CD2 TYR A 173 11.863 4.547 14.350 1.00112.93 C +ANISOU 1397 CD2 TYR A 173 15477 13681 13749 -11 -332 848 C +ATOM 1398 CE1 TYR A 173 9.703 4.562 16.067 1.00 66.57 C +ANISOU 1398 CE1 TYR A 173 9569 7939 7785 -118 -24 1104 C +ATOM 1399 CE2 TYR A 173 10.622 4.141 13.897 1.00 92.14 C +ANISOU 1399 CE2 TYR A 173 12747 11047 11216 -160 -266 947 C +ATOM 1400 CZ TYR A 173 9.546 4.151 14.760 1.00113.56 C +ANISOU 1400 CZ TYR A 173 15432 13825 13890 -216 -114 1077 C +ATOM 1401 OH TYR A 173 8.307 3.748 14.316 1.00112.60 O +ANISOU 1401 OH TYR A 173 15191 13708 13883 -371 -50 1178 O +ATOM 1402 N CYS A 174 15.152 2.900 15.022 1.00 59.58 N +ANISOU 1402 N CYS A 174 9108 6680 6849 230 -657 737 N +ATOM 1403 CA CYS A 174 15.246 1.741 14.147 1.00 76.63 C +ANISOU 1403 CA CYS A 174 11307 8697 9111 161 -737 751 C +ATOM 1404 C CYS A 174 16.203 0.702 14.730 1.00 62.26 C +ANISOU 1404 C CYS A 174 9671 6753 7232 244 -839 780 C +ATOM 1405 O CYS A 174 16.812 0.922 15.778 1.00 85.24 O +ANISOU 1405 O CYS A 174 12668 9699 10020 354 -859 788 O +ATOM 1406 CB CYS A 174 15.702 2.173 12.751 1.00 60.22 C +ANISOU 1406 CB CYS A 174 9112 6623 7147 168 -805 609 C +ATOM 1407 SG CYS A 174 14.436 3.062 11.807 1.00 76.08 S +ANISOU 1407 SG CYS A 174 10918 8737 9251 46 -712 603 S +ATOM 1408 N ASP A 175 16.326 -0.431 14.049 1.00 87.94 N +ANISOU 1408 N ASP A 175 12987 9855 10570 194 -911 794 N +TER 1409 ASP A 175 +HETATM 1410 C1 RTL A 201 18.100 8.875 -0.393 1.00 32.01 C +ANISOU 1410 C1 RTL A 201 4614 3466 4084 116 -959 -301 C +HETATM 1411 C2 RTL A 201 19.458 8.256 -0.711 1.00 30.98 C +ANISOU 1411 C2 RTL A 201 4552 3277 3942 197 -981 -398 C +HETATM 1412 C3 RTL A 201 19.530 6.841 -0.163 1.00 39.88 C +ANISOU 1412 C3 RTL A 201 5794 4296 5063 201 -1028 -390 C +HETATM 1413 C4 RTL A 201 18.513 5.960 -0.866 1.00 37.16 C +ANISOU 1413 C4 RTL A 201 5509 3894 4717 86 -1070 -357 C +HETATM 1414 C5 RTL A 201 17.140 6.598 -0.867 1.00 35.76 C +ANISOU 1414 C5 RTL A 201 5244 3789 4553 -16 -1053 -265 C +HETATM 1415 C6 RTL A 201 16.955 7.917 -0.668 1.00 37.04 C +ANISOU 1415 C6 RTL A 201 5294 4055 4724 5 -1000 -240 C +HETATM 1416 C7 RTL A 201 15.592 8.476 -0.545 1.00 36.44 C +ANISOU 1416 C7 RTL A 201 5127 4045 4674 -77 -979 -145 C +HETATM 1417 C8 RTL A 201 14.601 7.680 -0.176 1.00 36.28 C +ANISOU 1417 C8 RTL A 201 5124 3987 4672 -166 -998 -68 C +HETATM 1418 C9 RTL A 201 13.268 8.252 0.099 1.00 35.75 C +ANISOU 1418 C9 RTL A 201 4944 3996 4645 -236 -963 32 C +HETATM 1419 C10 RTL A 201 12.366 7.493 0.739 1.00 43.89 C +ANISOU 1419 C10 RTL A 201 5980 4997 5701 -318 -959 119 C +HETATM 1420 C11 RTL A 201 11.034 7.969 1.115 1.00 33.55 C +ANISOU 1420 C11 RTL A 201 4543 3764 4440 -382 -911 225 C +HETATM 1421 C12 RTL A 201 10.253 7.107 1.764 1.00 40.63 C +ANISOU 1421 C12 RTL A 201 5450 4623 5363 -469 -897 312 C +HETATM 1422 C13 RTL A 201 8.882 7.414 2.210 1.00 44.77 C +ANISOU 1422 C13 RTL A 201 5839 5225 5948 -541 -837 428 C +HETATM 1423 C14 RTL A 201 8.200 6.437 2.826 1.00 43.41 C +ANISOU 1423 C14 RTL A 201 5686 5005 5803 -638 -819 517 C +HETATM 1424 C15 RTL A 201 6.785 6.643 3.309 1.00 50.42 C +ANISOU 1424 C15 RTL A 201 6420 5973 6762 -720 -744 643 C +HETATM 1425 O1 RTL A 201 5.903 5.813 2.539 1.00 50.48 O +ANISOU 1425 O1 RTL A 201 6386 5945 6851 -885 -830 689 O +HETATM 1426 C16 RTL A 201 17.914 10.181 -1.161 1.00 30.94 C +ANISOU 1426 C16 RTL A 201 4380 3418 3958 107 -924 -304 C +HETATM 1427 C17 RTL A 201 18.034 9.154 1.105 1.00 31.90 C +ANISOU 1427 C17 RTL A 201 4585 3466 4067 160 -927 -254 C +HETATM 1428 C18 RTL A 201 15.970 5.695 -1.169 1.00 38.31 C +ANISOU 1428 C18 RTL A 201 5607 4058 4892 -146 -1102 -206 C +HETATM 1429 C19 RTL A 201 12.961 9.675 -0.270 1.00 41.93 C +ANISOU 1429 C19 RTL A 201 5604 4883 5445 -207 -926 42 C +HETATM 1430 C20 RTL A 201 8.254 8.756 1.975 1.00 39.72 C +ANISOU 1430 C20 RTL A 201 5039 4707 5346 -506 -791 452 C +HETATM 1431 CL CL A 202 19.622 30.526 7.966 1.00 29.45 CL +ANISOU 1431 CL CL A 202 3907 3058 4224 770 -409 -852 CL +HETATM 1432 O HOH A 301 29.994 1.494 7.414 1.00 37.58 O +ANISOU 1432 O HOH A 301 5883 3533 4863 1434 -1629 -599 O +HETATM 1433 O HOH A 302 23.092 29.716 -6.769 1.00 30.47 O +ANISOU 1433 O HOH A 302 3676 3361 4541 135 -264 -106 O +HETATM 1434 O HOH A 303 18.261 26.095 7.506 1.00 29.04 O +ANISOU 1434 O HOH A 303 3792 3286 3957 718 -407 -608 O +HETATM 1435 O HOH A 304 30.095 16.569 -12.314 1.00 34.71 O +ANISOU 1435 O HOH A 304 4461 4371 4356 409 7 -825 O +HETATM 1436 O HOH A 305 24.675 3.986 -11.217 1.00 41.69 O +ANISOU 1436 O HOH A 305 6561 4408 4871 453 -853 -1234 O +HETATM 1437 O HOH A 306 35.870 25.331 5.729 1.00 48.34 O +ANISOU 1437 O HOH A 306 5297 5767 7302 375 -1243 -1403 O +HETATM 1438 O HOH A 307 11.865 28.008 -5.768 1.00 29.88 O +ANISOU 1438 O HOH A 307 3371 3572 4408 426 -594 402 O +HETATM 1439 O HOH A 308 14.647 28.399 -2.688 1.00 33.77 O +ANISOU 1439 O HOH A 308 3985 3918 4929 480 -433 83 O +HETATM 1440 O HOH A 309 7.245 15.831 -3.259 1.00 30.05 O +ANISOU 1440 O HOH A 309 3298 3868 4252 -247 -922 431 O +HETATM 1441 O HOH A 310 10.203 12.779 -8.906 1.00 39.05 O +ANISOU 1441 O HOH A 310 5026 4841 4968 -471 -1338 99 O +HETATM 1442 O HOH A 311 16.437 25.145 -14.277 1.00 27.25 O +ANISOU 1442 O HOH A 311 3613 3434 3309 28 -710 400 O +HETATM 1443 O HOH A 312 29.702 8.875 -11.679 1.00 39.35 O +ANISOU 1443 O HOH A 312 5589 4598 4763 740 -300 -1241 O +HETATM 1444 O HOH A 313 15.666 26.796 -6.990 1.00 22.51 O +ANISOU 1444 O HOH A 313 2651 2610 3293 270 -561 204 O +HETATM 1445 O HOH A 314 25.943 10.008 -13.725 1.00 35.25 O +ANISOU 1445 O HOH A 314 5306 4151 3935 395 -453 -1040 O +HETATM 1446 O HOH A 315 30.074 6.112 8.227 1.00 35.73 O +ANISOU 1446 O HOH A 315 5258 3728 4591 1285 -1544 -694 O +HETATM 1447 O HOH A 316 30.094 29.035 5.500 1.00 31.58 O +ANISOU 1447 O HOH A 316 3682 3365 4952 305 -911 -1201 O +HETATM 1448 O HOH A 317 10.890 24.963 3.041 1.00 42.64 O +ANISOU 1448 O HOH A 317 5003 5273 5926 610 -245 66 O +HETATM 1449 O HOH A 318 22.724 15.065 -16.245 1.00 39.69 O +ANISOU 1449 O HOH A 318 5783 5009 4290 75 -495 -565 O +HETATM 1450 O HOH A 319 10.802 34.584 -11.367 1.00 30.84 O +ANISOU 1450 O HOH A 319 3632 3406 4679 604 -725 1057 O +HETATM 1451 O HOH A 320 25.314 18.907 -15.730 1.00 37.74 O +ANISOU 1451 O HOH A 320 5206 4835 4298 117 -141 -417 O +HETATM 1452 O HOH A 321 14.858 25.895 8.667 1.00 32.03 O +ANISOU 1452 O HOH A 321 4136 3770 4264 826 -185 -440 O +HETATM 1453 O HOH A 322 31.011 21.473 13.345 1.00 37.30 O +ANISOU 1453 O HOH A 322 4947 4409 4815 873 -1622 -1347 O +HETATM 1454 O HOH A 323 23.980 -0.461 -0.300 1.00 36.00 O +ANISOU 1454 O HOH A 323 5994 3054 4632 638 -1290 -698 O +HETATM 1455 O HOH A 324 9.209 10.584 -5.990 1.00 37.43 O +ANISOU 1455 O HOH A 324 4778 4516 4925 -577 -1280 160 O +HETATM 1456 O HOH A 325 9.267 21.547 -1.800 1.00 31.99 O +ANISOU 1456 O HOH A 325 3513 4074 4566 230 -604 329 O +HETATM 1457 O HOH A 326 16.693 24.919 -5.130 1.00 22.83 O +ANISOU 1457 O HOH A 326 2714 2663 3299 267 -548 16 O +HETATM 1458 O HOH A 327 22.765 22.246 -12.709 1.00 25.86 O +ANISOU 1458 O HOH A 327 3445 3215 3167 66 -329 -152 O +HETATM 1459 O HOH A 328 23.986 28.804 -9.055 1.00 34.97 O +ANISOU 1459 O HOH A 328 4280 4039 4967 62 -187 -45 O +HETATM 1460 O HOH A 329 11.215 32.138 -8.346 1.00 32.32 O +ANISOU 1460 O HOH A 329 3708 3702 4869 560 -624 713 O +HETATM 1461 O HOH A 330 25.414 24.074 -6.379 1.00 33.16 O +ANISOU 1461 O HOH A 330 4006 3940 4652 191 -332 -416 O +HETATM 1462 O HOH A 331 13.315 14.642 -9.908 1.00 34.05 O +ANISOU 1462 O HOH A 331 4529 4217 4193 -251 -1149 -39 O +HETATM 1463 O HOH A 332 17.250 4.446 -11.890 1.00 47.04 O +ANISOU 1463 O HOH A 332 7243 5152 5478 -297 -1368 -816 O +HETATM 1464 O HOH A 333 14.118 31.027 2.178 1.00 36.69 O +ANISOU 1464 O HOH A 333 4422 4097 5420 776 -228 -166 O +HETATM 1465 O HOH A 334 17.380 11.793 -4.881 1.00 27.41 O +ANISOU 1465 O HOH A 334 3852 3098 3463 6 -936 -323 O +HETATM 1466 O HOH A 335 13.942 24.821 -3.867 1.00 21.54 O +ANISOU 1466 O HOH A 335 2438 2550 3198 323 -568 128 O +HETATM 1467 O HOH A 336 21.876 16.790 13.381 1.00 39.24 O +ANISOU 1467 O HOH A 336 5697 4702 4512 850 -887 -584 O +HETATM 1468 O HOH A 337 25.808 21.385 -13.230 1.00 35.99 O +ANISOU 1468 O HOH A 337 4692 4533 4448 109 -119 -331 O +HETATM 1469 O HOH A 338 32.732 16.253 -13.668 1.00 41.26 O +ANISOU 1469 O HOH A 338 5169 5298 5209 511 292 -943 O +HETATM 1470 O HOH A 339 16.283 34.019 8.365 1.00 33.41 O +ANISOU 1470 O HOH A 339 4443 3362 4888 1032 -137 -801 O +HETATM 1471 O HOH A 340 17.568 17.741 -9.420 1.00 31.33 O +ANISOU 1471 O HOH A 340 4157 3858 3887 13 -795 -164 O +HETATM 1472 O HOH A 341 10.297 24.564 -0.582 1.00 42.95 O +ANISOU 1472 O HOH A 341 4932 5359 6028 453 -442 237 O +HETATM 1473 O HOH A 342 24.392 33.551 -8.225 1.00 48.22 O +ANISOU 1473 O HOH A 342 5937 5362 7024 -4 -104 72 O +HETATM 1474 O HOH A 343 25.946 26.508 -7.913 1.00 35.80 O +ANISOU 1474 O HOH A 343 4306 4228 5067 96 -198 -289 O +HETATM 1475 O HOH A 344 7.108 19.703 3.698 1.00 53.88 O +ANISOU 1475 O HOH A 344 6215 6942 7316 290 -243 397 O +HETATM 1476 O HOH A 345 8.490 9.797 -8.748 1.00 43.68 O +ANISOU 1476 O HOH A 345 5667 5314 5615 -750 -1540 112 O +HETATM 1477 O HOH A 346 23.560 11.371 -1.723 1.00 33.55 O +ANISOU 1477 O HOH A 346 4635 3771 4340 445 -849 -640 O +HETATM 1478 O HOH A 347 31.191 3.042 5.785 1.00 35.75 O +ANISOU 1478 O HOH A 347 5355 3471 4756 1448 -1530 -785 O +HETATM 1479 O HOH A 348 14.719 32.580 -12.609 1.00 42.00 O +ANISOU 1479 O HOH A 348 5280 4901 5777 303 -589 831 O +HETATM 1480 O HOH A 349 19.466 14.020 -12.827 1.00 36.75 O +ANISOU 1480 O HOH A 349 5254 4506 4205 -27 -833 -449 O +HETATM 1481 O HOH A 350 26.739 18.231 11.661 1.00 28.42 O +ANISOU 1481 O HOH A 350 4024 3286 3488 873 -1217 -925 O +HETATM 1482 O HOH A 351 20.745 18.914 -15.373 1.00 35.20 O +ANISOU 1482 O HOH A 351 4957 4492 3926 -7 -556 -201 O +HETATM 1483 O HOH A 352 29.087 21.538 -12.046 1.00 36.18 O +ANISOU 1483 O HOH A 352 4468 4554 4723 171 56 -501 O +HETATM 1484 O HOH A 353 23.505 3.461 -15.308 1.00 43.12 O +ANISOU 1484 O HOH A 353 7115 4630 4641 290 -886 -1402 O +HETATM 1485 O HOH A 354 37.528 21.248 11.176 1.00 48.36 O +ANISOU 1485 O HOH A 354 5526 5915 6935 823 -1977 -1577 O +HETATM 1486 O HOH A 355 16.662 32.691 -9.953 1.00 31.60 O +ANISOU 1486 O HOH A 355 3912 3458 4636 300 -427 544 O +HETATM 1487 O HOH A 356 13.998 -5.003 -2.771 1.00 49.67 O +ANISOU 1487 O HOH A 356 8123 4250 6500 -765 -1657 -271 O +HETATM 1488 O HOH A 357 16.613 29.438 1.901 1.00 22.06 O +ANISOU 1488 O HOH A 357 2639 2280 3464 621 -331 -285 O +HETATM 1489 O HOH A 358 37.451 15.534 -2.673 1.00 36.60 O +ANISOU 1489 O HOH A 358 3756 4543 5608 915 -547 -1248 O +HETATM 1490 O HOH A 359 19.597 30.400 0.798 1.00 24.77 O +ANISOU 1490 O HOH A 359 3008 2507 3896 493 -381 -391 O +HETATM 1491 O HOH A 360 30.566 -0.978 -2.636 1.00 39.19 O +ANISOU 1491 O HOH A 360 6184 3484 5223 1392 -1138 -1232 O +HETATM 1492 O HOH A 361 38.106 8.917 0.283 1.00 42.90 O +ANISOU 1492 O HOH A 361 4932 5048 6320 1536 -1021 -1345 O +HETATM 1493 O HOH A 362 8.041 27.452 -5.517 1.00 38.19 O +ANISOU 1493 O HOH A 362 4133 4792 5586 482 -685 618 O +HETATM 1494 O HOH A 363 12.535 26.168 -1.912 1.00 31.34 O +ANISOU 1494 O HOH A 363 3585 3766 4557 461 -469 152 O +HETATM 1495 O HOH A 364 36.995 26.011 10.437 1.00 46.83 O +ANISOU 1495 O HOH A 364 5265 5548 6982 454 -1804 -1704 O +HETATM 1496 O HOH A 365 4.483 17.556 4.451 1.00 60.99 O +ANISOU 1496 O HOH A 365 6911 7962 8300 96 -165 630 O +HETATM 1497 O HOH A 366 11.777 28.349 6.067 1.00 48.69 O +ANISOU 1497 O HOH A 366 5941 5861 6699 899 -50 -195 O +HETATM 1498 O HOH A 367 34.430 6.688 5.992 1.00 48.88 O +ANISOU 1498 O HOH A 367 6422 5510 6640 1543 -1561 -1013 O +HETATM 1499 O HOH A 368 29.041 28.254 8.538 1.00 42.67 O +ANISOU 1499 O HOH A 368 5332 4798 6083 473 -1059 -1315 O +HETATM 1500 O HOH A 369 16.673 22.495 -14.960 1.00 34.93 O +ANISOU 1500 O HOH A 369 4708 4477 4086 -42 -787 242 O +HETATM 1501 O HOH A 370 19.419 21.292 -15.108 1.00 30.83 O +ANISOU 1501 O HOH A 370 4282 3941 3489 -24 -594 22 O +HETATM 1502 O HOH A 371 29.434 28.515 10.400 1.00 52.14 O +ANISOU 1502 O HOH A 371 6639 5983 7190 521 -1201 -1453 O +HETATM 1503 O HOH A 372 24.375 18.144 13.021 1.00 34.88 O +ANISOU 1503 O HOH A 372 5031 4127 4093 884 -1071 -803 O +HETATM 1504 O HOH A 373 7.562 13.910 -7.943 1.00 41.77 O +ANISOU 1504 O HOH A 373 5033 5317 5522 -513 -1352 331 O +HETATM 1505 O HOH A 374 14.480 28.824 -5.383 1.00 26.37 O +ANISOU 1505 O HOH A 374 3054 3001 3962 408 -500 245 O +HETATM 1506 O HOH A 375 24.455 21.027 12.771 1.00 28.08 O +ANISOU 1506 O HOH A 375 4071 3245 3352 850 -1015 -951 O +HETATM 1507 O HOH A 376 20.551 32.406 2.800 1.00 38.66 O +ANISOU 1507 O HOH A 376 4851 4084 5755 543 -384 -590 O +HETATM 1508 O HOH A 377 14.293 31.422 -5.612 1.00 37.75 O +ANISOU 1508 O HOH A 377 4501 4292 5552 497 -447 331 O +CONECT 34 1288 +CONECT 563 1407 +CONECT 969 1037 +CONECT 1037 969 +CONECT 1288 34 +CONECT 1407 563 +CONECT 1410 1411 1415 1426 1427 +CONECT 1411 1410 1412 +CONECT 1412 1411 1413 +CONECT 1413 1412 1414 +CONECT 1414 1413 1415 1428 +CONECT 1415 1410 1414 1416 +CONECT 1416 1415 1417 +CONECT 1417 1416 1418 +CONECT 1418 1417 1419 1429 +CONECT 1419 1418 1420 +CONECT 1420 1419 1421 +CONECT 1421 1420 1422 +CONECT 1422 1421 1423 1430 +CONECT 1423 1422 1424 +CONECT 1424 1423 1425 +CONECT 1425 1424 +CONECT 1426 1410 +CONECT 1427 1410 +CONECT 1428 1414 +CONECT 1429 1418 +CONECT 1430 1422 +MASTER 342 0 2 3 10 0 2 6 1507 1 27 14 +END diff --git a/pyaptamer/datasets/data/pfoa.pdb b/pyaptamer/datasets/data/pfoa.pdb deleted file mode 100644 index 3deccec7..00000000 --- a/pyaptamer/datasets/data/pfoa.pdb +++ /dev/null @@ -1,53 +0,0 @@ -HETATM 1 F1 UNL 1 -1.054 1.948 -0.201 1.00 0.00 F -HETATM 2 F2 UNL 1 0.543 1.258 -1.503 1.00 0.00 F -HETATM 3 F3 UNL 1 1.222 1.649 1.078 1.00 0.00 F -HETATM 4 F4 UNL 1 -0.333 0.293 1.758 1.00 0.00 F -HETATM 5 F5 UNL 1 -1.821 0.167 -2.165 1.00 0.00 F -HETATM 6 F6 UNL 1 -0.453 -1.320 -1.355 1.00 0.00 F -HETATM 7 F7 UNL 1 2.067 -0.762 1.916 1.00 0.00 F -HETATM 8 F8 UNL 1 0.806 -1.794 0.487 1.00 0.00 F -HETATM 9 F9 UNL 1 -2.983 -1.715 -0.682 1.00 0.00 F -HETATM 10 F10 UNL 1 -1.693 -1.305 1.021 1.00 0.00 F -HETATM 11 F11 UNL 1 2.105 -0.612 -1.601 1.00 0.00 F -HETATM 12 F12 UNL 1 3.342 -1.755 -0.237 1.00 0.00 F -HETATM 13 F13 UNL 1 -3.968 0.842 -0.596 1.00 0.00 F -HETATM 14 F14 UNL 1 -2.683 1.301 1.109 1.00 0.00 F -HETATM 15 F15 UNL 1 -4.173 -0.274 1.267 1.00 0.00 F -HETATM 16 O1 UNL 1 4.570 0.329 0.674 1.00 0.00 O -HETATM 17 O2 UNL 1 3.367 1.677 -0.704 1.00 0.00 O -HETATM 18 C1 UNL 1 -0.291 0.860 -0.511 1.00 0.00 C -HETATM 19 C2 UNL 1 0.531 0.526 0.727 1.00 0.00 C -HETATM 20 C3 UNL 1 -1.214 -0.239 -1.021 1.00 0.00 C -HETATM 21 C4 UNL 1 1.506 -0.643 0.678 1.00 0.00 C -HETATM 22 C5 UNL 1 -2.285 -0.725 -0.056 1.00 0.00 C -HETATM 23 C6 UNL 1 2.630 -0.597 -0.348 1.00 0.00 C -HETATM 24 C7 UNL 1 -3.279 0.300 0.430 1.00 0.00 C -HETATM 25 C8 UNL 1 3.539 0.591 -0.167 1.00 0.00 C -HETATM 26 H1 UNL 1 5.153 1.108 0.793 1.00 0.00 H -CONECT 1 18 -CONECT 2 18 -CONECT 3 19 -CONECT 4 19 -CONECT 5 20 -CONECT 6 20 -CONECT 7 21 -CONECT 8 21 -CONECT 9 22 -CONECT 10 22 -CONECT 11 23 -CONECT 12 23 -CONECT 13 24 -CONECT 14 24 -CONECT 15 24 -CONECT 16 25 26 -CONECT 17 25 -CONECT 18 1 2 19 20 -CONECT 19 3 4 18 21 -CONECT 20 5 6 18 22 -CONECT 21 7 8 19 23 -CONECT 22 9 10 20 24 -CONECT 23 11 12 21 25 -CONECT 24 13 14 15 22 -CONECT 25 16 17 23 -CONECT 26 16 -END diff --git a/pyaptamer/datasets/tests/test_loaders.py b/pyaptamer/datasets/tests/test_loaders.py index 056d9ebf..e9441156 100644 --- a/pyaptamer/datasets/tests/test_loaders.py +++ b/pyaptamer/datasets/tests/test_loaders.py @@ -5,26 +5,27 @@ from Bio.PDB.Structure import Structure from pyaptamer.datasets import ( - load_1gnh_structure, load_csv_dataset, load_hf_dataset, - load_pfoa_structure, + structure_loader, ) +# Replace old specific loaders with generic calls LOADERS = [ - load_pfoa_structure, - load_1gnh_structure, + lambda: structure_loader("5nu7"), + lambda: structure_loader("1gnh"), ] @pytest.mark.parametrize("loader", LOADERS) -def test_loader_returns_structure(loader): +def test_structure_loader_returns_structure(loader): """ - Each loader should run without error and return a Biopython Structure. + Each generic structure loader should run without error + and return a Biopython Structure. """ struct = loader() assert isinstance(struct, Structure), ( - f"{loader.__name__}() did not return a Bio.PDB.Structure.Structure" + f"{loader} did not return a Bio.PDB.Structure.Structure" ) @@ -41,12 +42,12 @@ def test_load_csv_dataset_file_not_found(): def test_hf_dataset_loader_already_downloaded(): - """Test loading a hugging face file when alwaready downloaded locally.""" + """Test loading a Hugging Face file when already downloaded locally.""" result = load_hf_dataset("dummy_data") assert isinstance(result, pd.DataFrame) def test_hf_dataset_loader_file_not_found(): - """Test FileNotFoundError raised when the file does not exist on hugging face.""" + """Test FileNotFoundError raised when file does not exist on HF.""" with pytest.raises(FileNotFoundError, match="Dataset dummy_nonexistent not found"): load_hf_dataset("dummy_nonexistent") diff --git a/pyaptamer/datasets/tests/test_loaders_mol.py b/pyaptamer/datasets/tests/test_loaders_mol.py index e27d5bcf..a67b1da3 100644 --- a/pyaptamer/datasets/tests/test_loaders_mol.py +++ b/pyaptamer/datasets/tests/test_loaders_mol.py @@ -1,15 +1,15 @@ """Tests for molecule data loading module, toy data.""" from pyaptamer.data.loader import MoleculeLoader -from pyaptamer.datasets import load_1gnh, load_pfoa +from pyaptamer.datasets import mol_loader def test_loaders_mol(): """Placeholder test for molecule data loading module.""" - pfoa = load_pfoa() - assert isinstance(pfoa, MoleculeLoader) + nu7 = mol_loader("5nu7") + assert isinstance(nu7, MoleculeLoader) - gnh = load_1gnh() + gnh = mol_loader("1gnh") assert isinstance(gnh, MoleculeLoader) gnh_seq = gnh.to_df_seq().iloc[0, 0] diff --git a/pyaptamer/trafos/encode/_greedy.py b/pyaptamer/trafos/encode/_greedy.py index f7525f78..3b8f449c 100644 --- a/pyaptamer/trafos/encode/_greedy.py +++ b/pyaptamer/trafos/encode/_greedy.py @@ -40,9 +40,9 @@ class GreedyEncoder(BaseTransform): Examples -------- >>> from pyaptamer.trafos.encode import GreedyEncoder - >>> from pyaptamer.datasets import load_1gnh + >>> from pyaptamer.datasets import mol_loader >>> - >>> data = load_1gnh() + >>> data = mol_loader("1gnh") >>> words = {"QT": 1, "QTA": 2, "S": 3, "G": 4} >>> >>> encoder = GreedyEncoder(words=words, max_len=5, word_max_len=2) diff --git a/pyaptamer/utils/tests/test_struct_to_aaseq.py b/pyaptamer/utils/tests/test_struct_to_aaseq.py index e1fd0b42..08b2e184 100644 --- a/pyaptamer/utils/tests/test_struct_to_aaseq.py +++ b/pyaptamer/utils/tests/test_struct_to_aaseq.py @@ -2,7 +2,7 @@ import pandas as pd -from pyaptamer.datasets import load_1gnh_structure +from pyaptamer.datasets import structure_loader from pyaptamer.utils._struct_to_aaseq import struct_to_aaseq @@ -18,7 +18,7 @@ def test_struct_to_aaseq(): - Each 'sequence' value is a non-empty string. - Each 'chain' value is a non-empty string. """ - structure = load_1gnh_structure() + structure = structure_loader("1gnh") # Request DataFrame explicitly (columns should be exactly ['chain','sequence']) df = struct_to_aaseq(structure, return_type="pd.df") From 5fd90248136efa9e55332c6cdcd342ed22594bc0 Mon Sep 17 00:00:00 2001 From: Satvik Mishra <112589278+satvshr@users.noreply.github.com> Date: Sat, 29 Nov 2025 02:52:53 +0530 Subject: [PATCH 2/2] Made only necessary changes --- examples/aptanet_tutorial.ipynb | 6 +-- pyaptamer/datasets/__init__.py | 14 +++++- pyaptamer/datasets/_loaders/_1brq.py | 43 +++++++++++++++++++ pyaptamer/datasets/_loaders/_1gnh.py | 43 +++++++++++++++++++ pyaptamer/datasets/_loaders/_5nu7.py | 43 +++++++++++++++++++ pyaptamer/datasets/_loaders/__init__.py | 22 ++++++++-- pyaptamer/datasets/_loaders/_mol_loader.py | 26 ----------- .../datasets/_loaders/_structure_loader.py | 35 --------------- pyaptamer/datasets/tests/test_loaders.py | 21 ++++----- pyaptamer/datasets/tests/test_loaders_mol.py | 23 +++++----- pyaptamer/trafos/encode/_greedy.py | 4 +- pyaptamer/utils/tests/test_struct_to_aaseq.py | 4 +- 12 files changed, 190 insertions(+), 94 deletions(-) create mode 100644 pyaptamer/datasets/_loaders/_1brq.py create mode 100644 pyaptamer/datasets/_loaders/_1gnh.py create mode 100644 pyaptamer/datasets/_loaders/_5nu7.py delete mode 100644 pyaptamer/datasets/_loaders/_mol_loader.py delete mode 100644 pyaptamer/datasets/_loaders/_structure_loader.py diff --git a/examples/aptanet_tutorial.ipynb b/examples/aptanet_tutorial.ipynb index 8f7546a7..db054368 100644 --- a/examples/aptanet_tutorial.ipynb +++ b/examples/aptanet_tutorial.ipynb @@ -19,7 +19,7 @@ "\n", "- **pairs_to_features**: helper that converts `(aptamer_sequence, protein_sequence)` pairs into feature vectors using k-mer + PSeAAC.\n", "- **SkorchAptaNet**: a PyTorch MLP wrapped in Skorch for binary classification.\n", - "- **structure_loader**: helper to load the PFOA molecule structure from PDB file." + "- **load_1gnh_structure**: helper to load the GNH molecule structure from PDB file." ] }, { @@ -48,7 +48,7 @@ "# Data imports\n", "import torch\n", "\n", - "from pyaptamer.datasets import structure_loader\n", + "from pyaptamer.datasets import load_1gnh_structure\n", "from pyaptamer.utils import struct_to_aaseq" ] }, @@ -67,7 +67,7 @@ " \"GCUAGGACGAUCGCACGUGACCGUCAGUAGCGUAGGAGA\",\n", "]\n", "\n", - "gnh = structure_loader(\"1gnh\")\n", + "gnh = load_1gnh_structure()\n", "protein_sequence = struct_to_aaseq(gnh)\n", "\n", "# Build all combinations (aptamer, protein)\n", diff --git a/pyaptamer/datasets/__init__.py b/pyaptamer/datasets/__init__.py index f78d2063..55bf7a45 100644 --- a/pyaptamer/datasets/__init__.py +++ b/pyaptamer/datasets/__init__.py @@ -1,13 +1,17 @@ """Contains datasets along with their loaders.""" from pyaptamer.datasets._loaders import ( + load_1brq, + load_1brq_structure, + load_1gnh, + load_1gnh_structure, + load_5nu7, + load_5nu7_structure, load_aptacom_full, load_aptacom_xy, load_csv_dataset, load_from_rcsb, load_hf_dataset, - mol_loader, - structure_loader, ) __all__ = [ @@ -18,4 +22,10 @@ "load_from_rcsb", "mol_loader", "structure_loader", + "load_1brq", + "load_1brq_structure", + "load_5nu7", + "load_5nu7_structure", + "load_1gnh", + "load_1gnh_structure", ] diff --git a/pyaptamer/datasets/_loaders/_1brq.py b/pyaptamer/datasets/_loaders/_1brq.py new file mode 100644 index 00000000..d4fb55fd --- /dev/null +++ b/pyaptamer/datasets/_loaders/_1brq.py @@ -0,0 +1,43 @@ +__author__ = "satvshr" +__all__ = ["load_1brq", "load_1brq_structure"] + +import os + + +def load_1brq(): + """Load the 1brq molecule as a MoleculeLoader. + + Returns + ------- + loader : MoleculeLoader + A MoleculeLoader object representing the 1brq molecule. + """ + from pyaptamer.data.loader import MoleculeLoader + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "1brq.pdb") + + return MoleculeLoader(pdb_path) + + +def load_1brq_structure(pdb_path=None): + """ + Load the 1brq molecule from a PDB file using Biopython. + + Parameters + ---------- + pdb_path : str, optional + Path to the PDB file. If not provided, the function uses the default path + located in the '../data/1brq.pdb' relative to the current file. + + Returns + ------- + structure : Bio.PDB.Structure.Structure + A Biopython Structure object representing the 1BRQ molecule. + """ + from Bio.PDB import PDBParser + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "1brq.pdb") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure("1brq", pdb_path) + return structure diff --git a/pyaptamer/datasets/_loaders/_1gnh.py b/pyaptamer/datasets/_loaders/_1gnh.py new file mode 100644 index 00000000..6189ff7b --- /dev/null +++ b/pyaptamer/datasets/_loaders/_1gnh.py @@ -0,0 +1,43 @@ +__author__ = ["satvshr", "fkiraly"] +__all__ = ["load_1gnh", "load_1gnh_structure"] + +import os + + +def load_1gnh(): + """Load the 1GNH molecule as a MoleculeLoader. + + Returns + ------- + loader : MoleculeLoader + A MoleculeLoader object representing the 1GNH molecule. + """ + from pyaptamer.data.loader import MoleculeLoader + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "1gnh.pdb") + + return MoleculeLoader(pdb_path) + + +def load_1gnh_structure(pdb_path=None): + """ + Load the 1gnh molecule from a PDB file using Biopython. + + Parameters + ---------- + pdb_path : str, optional + Path to the PDB file. If not provided, the function uses the default path + located in the '../data/1gnh.pdb' relative to the current file. + + Returns + ------- + structure : Bio.PDB.Structure.Structure + A Biopython Structure object representing the 1GNH molecule. + """ + from Bio.PDB import PDBParser + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "1gnh.pdb") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure("1gnh", pdb_path) + return structure diff --git a/pyaptamer/datasets/_loaders/_5nu7.py b/pyaptamer/datasets/_loaders/_5nu7.py new file mode 100644 index 00000000..c6926a48 --- /dev/null +++ b/pyaptamer/datasets/_loaders/_5nu7.py @@ -0,0 +1,43 @@ +__author__ = "satvshr" +__all__ = ["load_5nu7", "load_5nu7_structure"] + +import os + + +def load_5nu7(): + """Load the 5nu7 molecule as a MoleculeLoader. + + Returns + ------- + loader : MoleculeLoader + A MoleculeLoader object representing the 5nu7 molecule. + """ + from pyaptamer.data.loader import MoleculeLoader + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "5nu7.pdb") + + return MoleculeLoader(pdb_path) + + +def load_5nu7_structure(pdb_path=None): + """ + Load the 5nu7 molecule from a PDB file using Biopython. + + Parameters + ---------- + pdb_path : str, optional + Path to the PDB file. If not provided, the function uses the default path + located in the '../data/5nu7.pdb' relative to the current file. + + Returns + ------- + structure : Bio.PDB.Structure.Structure + A Biopython Structure object representing the 5NU7 molecule. + """ + from Bio.PDB import PDBParser + + pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", "5nu7.pdb") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure("5nu7", pdb_path) + return structure diff --git a/pyaptamer/datasets/_loaders/__init__.py b/pyaptamer/datasets/_loaders/__init__.py index 07deba59..15854527 100644 --- a/pyaptamer/datasets/_loaders/__init__.py +++ b/pyaptamer/datasets/_loaders/__init__.py @@ -1,14 +1,24 @@ """Loaders for different data structures.""" +from pyaptamer.datasets._loaders._1brq import ( + load_1brq, + load_1brq_structure, +) +from pyaptamer.datasets._loaders._1gnh import ( + load_1gnh, + load_1gnh_structure, +) +from pyaptamer.datasets._loaders._5nu7 import ( + load_5nu7, + load_5nu7_structure, +) from pyaptamer.datasets._loaders._aptacom_loader import ( load_aptacom_full, load_aptacom_xy, ) from pyaptamer.datasets._loaders._csv_loader import load_csv_dataset from pyaptamer.datasets._loaders._hf_loader import load_hf_dataset -from pyaptamer.datasets._loaders._mol_loader import mol_loader from pyaptamer.datasets._loaders._online_databank import load_from_rcsb -from pyaptamer.datasets._loaders._structure_loader import structure_loader __all__ = [ "load_aptacom_full", @@ -16,6 +26,10 @@ "load_csv_dataset", "load_from_rcsb", "load_hf_dataset", - "mol_loader", - "structure_loader", + "load_1gnh", + "load_1gnh_structure", + "load_1brq", + "load_1brq_structure", + "load_5nu7", + "load_5nu7_structure", ] diff --git a/pyaptamer/datasets/_loaders/_mol_loader.py b/pyaptamer/datasets/_loaders/_mol_loader.py deleted file mode 100644 index 23d7b8c7..00000000 --- a/pyaptamer/datasets/_loaders/_mol_loader.py +++ /dev/null @@ -1,26 +0,0 @@ -__author__ = "satvshr" -__all__ = ["mol_loader"] -import os - - -def mol_loader(pdb_name): - """Create a MoleculeLoader for a packaged PDB file. - - This convenience factory constructs a MoleculeLoader pointing to a PDB file - packaged with the distribution under pyaptamer/datasets/data/{pdb_name}.pdb. - - Parameters - ---------- - pdb_name : str - Basename of the packaged PDB file (without the ".pdb" extension). - - Returns - ------- - loader : MoleculeLoader - A MoleculeLoader object for the requested packaged PDB file. - """ - from pyaptamer.data.loader import MoleculeLoader - - pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", f"{pdb_name}.pdb") - - return MoleculeLoader(pdb_path) diff --git a/pyaptamer/datasets/_loaders/_structure_loader.py b/pyaptamer/datasets/_loaders/_structure_loader.py deleted file mode 100644 index 42f8177f..00000000 --- a/pyaptamer/datasets/_loaders/_structure_loader.py +++ /dev/null @@ -1,35 +0,0 @@ -import os - -from Bio.PDB import PDBParser - - -def structure_loader(pdb_name): - """ - Load a packaged PDB file from pyaptamer/datasets/data as a Biopython Structure. - - This loader only loads PDB files bundled with the package. It looks for - the file "/pyaptamer/datasets/data/{pdb_name}.pdb" and parses it - with Bio.PDB.PDBParser. - - Parameters - ---------- - pdb_name : str, optional - Basename of the packaged PDB file (without the ".pdb" extension). - - Returns - ------- - Bio.PDB.Structure.Structure - Parsed Biopython Structure object. - - Raises - ------ - FileNotFoundError - If the requested packaged PDB file does not exist. - """ - pdb_path = os.path.join(os.path.dirname(__file__), "..", "data", f"{pdb_name}.pdb") - if not os.path.exists(pdb_path): - raise FileNotFoundError(f"Packaged PDB not found: {pdb_path}") - - parser = PDBParser(QUIET=True) - structure = parser.get_structure(pdb_name, pdb_path) - return structure diff --git a/pyaptamer/datasets/tests/test_loaders.py b/pyaptamer/datasets/tests/test_loaders.py index e9441156..3d511043 100644 --- a/pyaptamer/datasets/tests/test_loaders.py +++ b/pyaptamer/datasets/tests/test_loaders.py @@ -5,27 +5,28 @@ from Bio.PDB.Structure import Structure from pyaptamer.datasets import ( + load_1brq_structure, + load_1gnh_structure, + load_5nu7_structure, load_csv_dataset, load_hf_dataset, - structure_loader, ) -# Replace old specific loaders with generic calls LOADERS = [ - lambda: structure_loader("5nu7"), - lambda: structure_loader("1gnh"), + load_1gnh_structure, + load_1brq_structure, + load_5nu7_structure, ] @pytest.mark.parametrize("loader", LOADERS) -def test_structure_loader_returns_structure(loader): +def test_loader_returns_structure(loader): """ - Each generic structure loader should run without error - and return a Biopython Structure. + Each loader should run without error and return a Biopython Structure. """ struct = loader() assert isinstance(struct, Structure), ( - f"{loader} did not return a Bio.PDB.Structure.Structure" + f"{loader.__name__}() did not return a Bio.PDB.Structure.Structure" ) @@ -42,12 +43,12 @@ def test_load_csv_dataset_file_not_found(): def test_hf_dataset_loader_already_downloaded(): - """Test loading a Hugging Face file when already downloaded locally.""" + """Test loading a hugging face file when alwaready downloaded locally.""" result = load_hf_dataset("dummy_data") assert isinstance(result, pd.DataFrame) def test_hf_dataset_loader_file_not_found(): - """Test FileNotFoundError raised when file does not exist on HF.""" + """Test FileNotFoundError raised when the file does not exist on hugging face.""" with pytest.raises(FileNotFoundError, match="Dataset dummy_nonexistent not found"): load_hf_dataset("dummy_nonexistent") diff --git a/pyaptamer/datasets/tests/test_loaders_mol.py b/pyaptamer/datasets/tests/test_loaders_mol.py index a67b1da3..80431fc5 100644 --- a/pyaptamer/datasets/tests/test_loaders_mol.py +++ b/pyaptamer/datasets/tests/test_loaders_mol.py @@ -1,16 +1,19 @@ """Tests for molecule data loading module, toy data.""" -from pyaptamer.data.loader import MoleculeLoader -from pyaptamer.datasets import mol_loader +import pytest +from pyaptamer.data.loader import MoleculeLoader +from pyaptamer.datasets import load_1brq, load_1gnh, load_5nu7 -def test_loaders_mol(): - """Placeholder test for molecule data loading module.""" - nu7 = mol_loader("5nu7") - assert isinstance(nu7, MoleculeLoader) +LOADERS = [ + load_1gnh, + load_5nu7, + load_1brq, +] - gnh = mol_loader("1gnh") - assert isinstance(gnh, MoleculeLoader) - gnh_seq = gnh.to_df_seq().iloc[0, 0] - assert gnh_seq.startswith("QTDMSRK") +@pytest.mark.parametrize("loader", LOADERS) +def test_loader_returns_molecule_loader(loader): + """Each loader should return a MoleculeLoader instance.""" + mol = loader() + assert isinstance(mol, MoleculeLoader) diff --git a/pyaptamer/trafos/encode/_greedy.py b/pyaptamer/trafos/encode/_greedy.py index 3b8f449c..f7525f78 100644 --- a/pyaptamer/trafos/encode/_greedy.py +++ b/pyaptamer/trafos/encode/_greedy.py @@ -40,9 +40,9 @@ class GreedyEncoder(BaseTransform): Examples -------- >>> from pyaptamer.trafos.encode import GreedyEncoder - >>> from pyaptamer.datasets import mol_loader + >>> from pyaptamer.datasets import load_1gnh >>> - >>> data = mol_loader("1gnh") + >>> data = load_1gnh() >>> words = {"QT": 1, "QTA": 2, "S": 3, "G": 4} >>> >>> encoder = GreedyEncoder(words=words, max_len=5, word_max_len=2) diff --git a/pyaptamer/utils/tests/test_struct_to_aaseq.py b/pyaptamer/utils/tests/test_struct_to_aaseq.py index 08b2e184..e1fd0b42 100644 --- a/pyaptamer/utils/tests/test_struct_to_aaseq.py +++ b/pyaptamer/utils/tests/test_struct_to_aaseq.py @@ -2,7 +2,7 @@ import pandas as pd -from pyaptamer.datasets import structure_loader +from pyaptamer.datasets import load_1gnh_structure from pyaptamer.utils._struct_to_aaseq import struct_to_aaseq @@ -18,7 +18,7 @@ def test_struct_to_aaseq(): - Each 'sequence' value is a non-empty string. - Each 'chain' value is a non-empty string. """ - structure = structure_loader("1gnh") + structure = load_1gnh_structure() # Request DataFrame explicitly (columns should be exactly ['chain','sequence']) df = struct_to_aaseq(structure, return_type="pd.df")