From 1fd2c0b6b077aac124ce3118d5845aee6a59f16a Mon Sep 17 00:00:00 2001 From: Simon Bartels <39526733+SimonBartels@users.noreply.github.com> Date: Thu, 7 Nov 2024 16:40:28 +0100 Subject: [PATCH] provides a running blackbox for Rosetta (#222) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Simon Bartels Co-authored-by: Miguel González Duque Co-authored-by: Richard Michael Co-authored-by: Richard Michael --- .../python-tox-testing-rosetta-env.yml | 39 + CITATION.cff | 2 +- pyproject.toml | 9 +- setup.cfg | 2 +- src/poli/__init__.py | 2 +- src/poli/objective_repository/__init__.py | 3 + .../rosetta_energy/1ggx.pdb | 8368 +++++++++++++++++ .../rosetta_energy/README.md | 11 + .../rosetta_energy/__init__.py | 0 .../rosetta_energy/environment.yml | 12 + .../rosetta_energy/information.py | 15 + .../rosetta_energy/isolated_function.py | 241 + .../rosetta_energy/register.py | 329 + .../tests/registry/proteins/test_rosetta.py | 266 + tox.ini | 17 +- 15 files changed, 9310 insertions(+), 6 deletions(-) create mode 100644 .github/workflows/python-tox-testing-rosetta-env.yml create mode 100644 src/poli/objective_repository/rosetta_energy/1ggx.pdb create mode 100644 src/poli/objective_repository/rosetta_energy/README.md create mode 100644 src/poli/objective_repository/rosetta_energy/__init__.py create mode 100644 src/poli/objective_repository/rosetta_energy/environment.yml create mode 100644 src/poli/objective_repository/rosetta_energy/information.py create mode 100644 src/poli/objective_repository/rosetta_energy/isolated_function.py create mode 100644 src/poli/objective_repository/rosetta_energy/register.py create mode 100644 src/poli/tests/registry/proteins/test_rosetta.py diff --git a/.github/workflows/python-tox-testing-rosetta-env.yml b/.github/workflows/python-tox-testing-rosetta-env.yml new file mode 100644 index 00000000..a764b09d --- /dev/null +++ b/.github/workflows/python-tox-testing-rosetta-env.yml @@ -0,0 +1,39 @@ +name: poli rosetta (conda, py3.9) + +on: + push: + branches: + - dev + - master + pull_request: + types: [opened, synchronize, reopened, ready_for_review, closed] + branches: + - dev + - master + schedule: + - cron: '0 0 * * 0' + +jobs: + build-linux: + runs-on: ubuntu-latest + timeout-minutes: 8 + if: github.event.pull_request.draft == false + strategy: + max-parallel: 5 + + steps: + - uses: actions/checkout@v3 + - name: Set up Python 3.9 + uses: actions/setup-python@v3 + with: + python-version: '3.10' + - name: Add conda to system path + run: | + # $CONDA is an environment variable pointing to the root of the miniconda directory + echo $CONDA/bin >> $GITHUB_PATH + - name: Install dependencies + run: | + python -m pip install tox + - name: Test rosetta-related black boxes with tox and pytest + run: | + tox -c tox.ini -e poli-rosetta_energy-py310 diff --git a/CITATION.cff b/CITATION.cff index cbc5346a..b2451596 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -8,6 +8,6 @@ authors: - family-names: "Michael" given-names: "Richard" title: "poli: a libary of discrete sequence objectives" -version: 1.0.1 +version: 1.1.0 date-released: 2024-01-23 url: "https://github.com/MachineLearningLifeScience/poli" \ No newline at end of file diff --git a/pyproject.toml b/pyproject.toml index 31f8133c..f6bafe75 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "poli-core" -version = "1.0.1" +version = "1.1.0" description = "poli, a library of discrete objective functions" readme = "README.md" authors = [{name="Miguel González-Duque", email="miguelgondu@gmail.com"}, {name="Simon Bartels", email="bartels@di.ku.dk"}] @@ -57,6 +57,10 @@ dockstring = [ rmf = [ "scipy", ] +rosetta_energy = [ + "biopython", + "pyrosetta", +] dev = ["black", "tox", "pytest", "bump-my-version"] docs = ["sphinx", "furo"] @@ -72,6 +76,7 @@ markers = [ "poli__protein: marks tests that run in the poli__protein environment", "poli__rasp: marks tests that run in the poli__rasp environment", "poli__rmf: marks tests that run in poli__rmf environment", + "poli__rosetta_energy: marks tests that run in poli__rosetta_energy", "poli__ehrlich_holo: marks tests that run in poli__ehrlich_holo environment", "unmarked: All other tests, which usually run in the base environment", ] @@ -83,7 +88,7 @@ profile = "black" exclude = ["src/poli/core/util/proteins/rasp/inner_rasp", "src/poli/objective_repository/gfp_cbas"] [tool.bumpversion] -current_version = "1.0.1" +current_version = "1.1.0" parse = """(?x) (?P0|[1-9]\\d*)\\. (?P0|[1-9]\\d*)\\. diff --git a/setup.cfg b/setup.cfg index e9e31dc6..fb3f2636 100644 --- a/setup.cfg +++ b/setup.cfg @@ -1,6 +1,6 @@ [metadata] name = poli-core -version = "1.0.1" +version = "1.1.0" author = Miguel González-Duque author_email = miguel.gonzalez-duque@bio.ku.dk description = A library of discrete objective functions diff --git a/src/poli/__init__.py b/src/poli/__init__.py index 09f400ed..b5d3b86f 100644 --- a/src/poli/__init__.py +++ b/src/poli/__init__.py @@ -1,6 +1,6 @@ """poli, a library for discrete black-box objective functions.""" -__version__ = "1.0.1" +__version__ = "1.1.0" from .core.util.isolation.instancing import instance_function_as_isolated_process # from .core import get_problems diff --git a/src/poli/objective_repository/__init__.py b/src/poli/objective_repository/__init__.py index 29258781..19a13b33 100644 --- a/src/poli/objective_repository/__init__.py +++ b/src/poli/objective_repository/__init__.py @@ -76,6 +76,7 @@ ) from .rfp_rasp.register import RFPRaspBlackBox, RFPRaspProblemFactory from .rmf_landscape.register import RMFBlackBox, RMFProblemFactory +from .rosetta_energy.register import RosettaEnergyBlackBox, RosettaEnergyProblemFactory from .sa_tdc.register import SABlackBox, SAProblemFactory from .scaffold_hop.register import ScaffoldHopBlackBox, ScaffoldHopProblemFactory from .sitagliptin_mpo.register import ( @@ -142,6 +143,7 @@ "rfp_foldx_stability": RFPFoldXStabilityProblemFactory, "rfp_foldx_stability_and_sasa": RFPFoldXStabilityAndSASAProblemFactory, "rmf_landscape": RMFProblemFactory, + "rosetta_energy": RosettaEnergyProblemFactory, "sa_tdc": SAProblemFactory, "super_mario_bros": SuperMarioBrosProblemFactory, "white_noise": WhiteNoiseProblemFactory, @@ -190,6 +192,7 @@ "rfp_foldx_stability": RFPFoldXStabilityBlackBox, "rfp_foldx_stability_and_sasa": FoldXStabilityAndSASABlackBox, "rmf_landscape": RMFBlackBox, + "rosetta_energy": RosettaEnergyBlackBox, "sa_tdc": SABlackBox, "super_mario_bros": SuperMarioBrosBlackBox, "white_noise": WhiteNoiseBlackBox, diff --git a/src/poli/objective_repository/rosetta_energy/1ggx.pdb b/src/poli/objective_repository/rosetta_energy/1ggx.pdb new file mode 100644 index 00000000..72756c42 --- /dev/null +++ b/src/poli/objective_repository/rosetta_energy/1ggx.pdb @@ -0,0 +1,8368 @@ +HEADER LUMINESCENT PROTEIN 05-OCT-00 1GGX +TITLE RED FLUORESCENT PROTEIN (FP583 OR DSRED(CLONTECH)) FROM DISCOSOMA SP. +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROTEIN (FLUORESCENT PROTEIN FP583); +COMPND 3 CHAIN: A, B, C, D; +COMPND 4 SYNONYM: RFP; +COMPND 5 ENGINEERED: YES; +COMPND 6 OTHER_DETAILS: RESIDUE CRQ 68 IS MADE FROM RESIDUES GLN 66, TYR 67 +COMPND 7 AND GLY 68. +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: DISCOSOMA SP.; +SOURCE 3 ORGANISM_TAXID: 86600; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 6 EXPRESSION_SYSTEM_STRAIN: JM109 (DE3); +SOURCE 7 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; +SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PLASMID; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRSETB; +SOURCE 10 EXPRESSION_SYSTEM_GENE: DSRED +KEYWDS FLUORESCENT PROTEIN, CHROMOPHORE, GFP, RFP, FP583, LUMINESCENT +KEYWDS 2 PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR M.A.WALL,M.A.SOCOLICH,R.RANGANATHAN +REVDAT 5 15-NOV-23 1GGX 1 SEQADV LINK ATOM +REVDAT 4 12-MAY-09 1GGX 1 REMARK SEQADV +REVDAT 3 24-FEB-09 1GGX 1 VERSN +REVDAT 2 01-APR-03 1GGX 1 JRNL +REVDAT 1 06-DEC-00 1GGX 0 +JRNL AUTH M.A.WALL,M.SOCOLICH,R.RANGANATHAN +JRNL TITL THE STRUCTURAL BASIS FOR RED FLUORESCENCE IN THE TETRAMERIC +JRNL TITL 2 GFP HOMOLOG DSRED. +JRNL REF NAT.STRUCT.BIOL. V. 7 1133 2000 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11101896 +JRNL DOI 10.1038/81992 +REMARK 2 +REMARK 2 RESOLUTION. 1.90 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.40 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.9 +REMARK 3 NUMBER OF REFLECTIONS : 62456 +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 SET) : 0.192 +REMARK 3 FREE R VALUE : 0.212 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.100 +REMARK 3 FREE R VALUE TEST SET COUNT : 3800 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.003 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 6 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 79.00 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 8621 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2560 +REMARK 3 BIN FREE R VALUE : 0.3050 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 2.30 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 200 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.022 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 7132 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 579 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 13.50 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.90 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -1.95000 +REMARK 3 B22 (A**2) : 4.19000 +REMARK 3 B33 (A**2) : -2.24000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : -0.55000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.21 +REMARK 3 ESD FROM SIGMAA (A) : 0.18 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.25 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.22 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.007 +REMARK 3 BOND ANGLES (DEGREES) : 1.900 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.10 +REMARK 3 IMPROPER ANGLES (DEGREES) : 1.010 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 1.200 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.700 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 1.990 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.880 ; 2.500 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : FLAT MODEL +REMARK 3 KSOL : 0.35 +REMARK 3 BSOL : 45.43 +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 : PROTEIN_REP.PARAM +REMARK 3 PARAMETER FILE 2 : CRO_RFP_FQYG.PARAM +REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM +REMARK 3 PARAMETER FILE 4 : NULL +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP +REMARK 3 TOPOLOGY FILE 2 : CRO_RFP_FQYG.TOP +REMARK 3 TOPOLOGY FILE 3 : WATER.TOP +REMARK 3 TOPOLOGY FILE 4 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1GGX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-OCT-00. +REMARK 100 THE DEPOSITION ID IS D_1000001502. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 8.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NI FILTER +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 62456 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 +REMARK 200 RESOLUTION RANGE LOW (A) : 28.400 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 97.9 +REMARK 200 DATA REDUNDANCY : 3.600 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.08600 +REMARK 200 FOR THE DATA SET : 14.5000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.02 +REMARK 200 COMPLETENESS FOR SHELL (%) : 79.0 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.70 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : 0.40100 +REMARK 200 FOR SHELL : 2.500 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER +REMARK 200 SOFTWARE USED: CNS +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: DATA FOR SEMET CRYSTALS WERE COLLECTED AT THE F" PEAK +REMARK 200 ONLY. +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 38.17 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 8.5 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +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 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 64.81050 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +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: TETRAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 9420 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 31590 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -29.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +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 MET A 1 +REMARK 465 ARG A 2 +REMARK 465 SER A 3 +REMARK 465 SER A 4 +REMARK 465 LYS A 5 +REMARK 465 ASN A 6 +REMARK 465 MET B 1 +REMARK 465 ARG B 2 +REMARK 465 SER B 3 +REMARK 465 SER B 4 +REMARK 465 LYS B 5 +REMARK 465 ASN B 6 +REMARK 465 MET C 1 +REMARK 465 ARG C 2 +REMARK 465 SER C 3 +REMARK 465 SER C 4 +REMARK 465 LYS C 5 +REMARK 465 ASN C 6 +REMARK 465 MET D 1 +REMARK 465 ARG D 2 +REMARK 465 SER D 3 +REMARK 465 SER D 4 +REMARK 465 LYS D 5 +REMARK 465 ASN D 6 +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 HIS A 222 N PHE A 224 2.15 +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 SER A 69 N - CA - C ANGL. DEV. = 34.5 DEGREES +REMARK 500 SER B 69 N - CA - C ANGL. DEV. = 31.5 DEGREES +REMARK 500 SER C 69 N - CA - C ANGL. DEV. = 26.2 DEGREES +REMARK 500 SER D 69 N - CA - C ANGL. DEV. = 32.0 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 LYS A 70 3.38 -64.32 +REMARK 500 ARG A 153 141.29 -174.16 +REMARK 500 HIS A 204 142.42 -174.16 +REMARK 500 LEU A 223 13.23 -52.62 +REMARK 500 LYS B 70 0.86 -62.11 +REMARK 500 ARG B 153 137.86 -171.63 +REMARK 500 PRO B 186 92.43 -62.40 +REMARK 500 HIS B 204 148.53 -174.16 +REMARK 500 LEU B 223 -5.44 -55.84 +REMARK 500 PHE B 224 78.90 55.70 +REMARK 500 LYS C 70 -6.95 -59.92 +REMARK 500 PRO C 186 81.88 -62.67 +REMARK 500 HIS C 204 145.83 -170.10 +REMARK 500 LEU C 223 7.15 -51.94 +REMARK 500 PHE C 224 41.78 39.35 +REMARK 500 HIS D 204 144.50 -178.97 +REMARK 500 LEU D 223 7.53 -53.31 +REMARK 500 PHE D 224 53.18 39.33 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 999 +REMARK 999 SEQUENCE +REMARK 999 RESIDUES GLN 66, TYR 67, GLY 68 ARE MODIFIED TO MAKE +REMARK 999 THE CHROMOPHORE CRQ 68. +REMARK 999 THE N OF CRQ 66 SHARES A DOUBLE BOND WITH CA1 OF +REMARK 999 CRQ 68 WHICH IS SP2 HYBRIDIZED (PLANAR). THEREFORE, +REMARK 999 WHILE THE PEPTIDE BOND BETWEEN PHE 65 AND CRQ 68 MOST +REMARK 999 CLOSELY RESEMBLES A CIS PEPTIDE-BOND, THIS IS NOT A +REMARK 999 STANDARD PEPTIDE BOND. THERE ARE 6 RESONANCE FORMS +REMARK 999 OF CRQ. +DBREF 1GGX A 1 225 UNP Q9U6Y8 RFP_DISSP 1 225 +DBREF 1GGX B 1 225 UNP Q9U6Y8 RFP_DISSP 1 225 +DBREF 1GGX C 1 225 UNP Q9U6Y8 RFP_DISSP 1 225 +DBREF 1GGX D 1 225 UNP Q9U6Y8 RFP_DISSP 1 225 +SEQADV 1GGX CRQ A 68 UNP Q9U6Y8 GLN 66 CHROMOPHORE +SEQADV 1GGX CRQ A 68 UNP Q9U6Y8 TYR 67 CHROMOPHORE +SEQADV 1GGX CRQ A 68 UNP Q9U6Y8 GLY 68 CHROMOPHORE +SEQADV 1GGX CRQ B 68 UNP Q9U6Y8 GLN 66 CHROMOPHORE +SEQADV 1GGX CRQ B 68 UNP Q9U6Y8 TYR 67 CHROMOPHORE +SEQADV 1GGX CRQ B 68 UNP Q9U6Y8 GLY 68 CHROMOPHORE +SEQADV 1GGX CRQ C 68 UNP Q9U6Y8 GLN 66 CHROMOPHORE +SEQADV 1GGX CRQ C 68 UNP Q9U6Y8 TYR 67 CHROMOPHORE +SEQADV 1GGX CRQ C 68 UNP Q9U6Y8 GLY 68 CHROMOPHORE +SEQADV 1GGX CRQ D 68 UNP Q9U6Y8 GLN 66 CHROMOPHORE +SEQADV 1GGX CRQ D 68 UNP Q9U6Y8 TYR 67 CHROMOPHORE +SEQADV 1GGX CRQ D 68 UNP Q9U6Y8 GLY 68 CHROMOPHORE +SEQRES 1 A 223 MET ARG SER SER LYS ASN VAL ILE LYS GLU PHE MET ARG +SEQRES 2 A 223 PHE LYS VAL ARG MET GLU GLY THR VAL ASN GLY HIS GLU +SEQRES 3 A 223 PHE GLU ILE GLU GLY GLU GLY GLU GLY ARG PRO TYR GLU +SEQRES 4 A 223 GLY HIS ASN THR VAL LYS LEU LYS VAL THR LYS GLY GLY +SEQRES 5 A 223 PRO LEU PRO PHE ALA TRP ASP ILE LEU SER PRO GLN PHE +SEQRES 6 A 223 CRQ SER LYS VAL TYR VAL LYS HIS PRO ALA ASP ILE PRO +SEQRES 7 A 223 ASP TYR LYS LYS LEU SER PHE PRO GLU GLY PHE LYS TRP +SEQRES 8 A 223 GLU ARG VAL MET ASN PHE GLU ASP GLY GLY VAL VAL THR +SEQRES 9 A 223 VAL THR GLN ASP SER SER LEU GLN ASP GLY CYS PHE ILE +SEQRES 10 A 223 TYR LYS VAL LYS PHE ILE GLY VAL ASN PHE PRO SER ASP +SEQRES 11 A 223 GLY PRO VAL MET GLN LYS LYS THR MET GLY TRP GLU ALA +SEQRES 12 A 223 SER THR GLU ARG LEU TYR PRO ARG ASP GLY VAL LEU LYS +SEQRES 13 A 223 GLY GLU ILE HIS LYS ALA LEU LYS LEU LYS ASP GLY GLY +SEQRES 14 A 223 HIS TYR LEU VAL GLU PHE LYS SER ILE TYR MET ALA LYS +SEQRES 15 A 223 LYS PRO VAL GLN LEU PRO GLY TYR TYR TYR VAL ASP SER +SEQRES 16 A 223 LYS LEU ASP ILE THR SER HIS ASN GLU ASP TYR THR ILE +SEQRES 17 A 223 VAL GLU GLN TYR GLU ARG THR GLU GLY ARG HIS HIS LEU +SEQRES 18 A 223 PHE LEU +SEQRES 1 B 223 MET ARG SER SER LYS ASN VAL ILE LYS GLU PHE MET ARG +SEQRES 2 B 223 PHE LYS VAL ARG MET GLU GLY THR VAL ASN GLY HIS GLU +SEQRES 3 B 223 PHE GLU ILE GLU GLY GLU GLY GLU GLY ARG PRO TYR GLU +SEQRES 4 B 223 GLY HIS ASN THR VAL LYS LEU LYS VAL THR LYS GLY GLY +SEQRES 5 B 223 PRO LEU PRO PHE ALA TRP ASP ILE LEU SER PRO GLN PHE +SEQRES 6 B 223 CRQ SER LYS VAL TYR VAL LYS HIS PRO ALA ASP ILE PRO +SEQRES 7 B 223 ASP TYR LYS LYS LEU SER PHE PRO GLU GLY PHE LYS TRP +SEQRES 8 B 223 GLU ARG VAL MET ASN PHE GLU ASP GLY GLY VAL VAL THR +SEQRES 9 B 223 VAL THR GLN ASP SER SER LEU GLN ASP GLY CYS PHE ILE +SEQRES 10 B 223 TYR LYS VAL LYS PHE ILE GLY VAL ASN PHE PRO SER ASP +SEQRES 11 B 223 GLY PRO VAL MET GLN LYS LYS THR MET GLY TRP GLU ALA +SEQRES 12 B 223 SER THR GLU ARG LEU TYR PRO ARG ASP GLY VAL LEU LYS +SEQRES 13 B 223 GLY GLU ILE HIS LYS ALA LEU LYS LEU LYS ASP GLY GLY +SEQRES 14 B 223 HIS TYR LEU VAL GLU PHE LYS SER ILE TYR MET ALA LYS +SEQRES 15 B 223 LYS PRO VAL GLN LEU PRO GLY TYR TYR TYR VAL ASP SER +SEQRES 16 B 223 LYS LEU ASP ILE THR SER HIS ASN GLU ASP TYR THR ILE +SEQRES 17 B 223 VAL GLU GLN TYR GLU ARG THR GLU GLY ARG HIS HIS LEU +SEQRES 18 B 223 PHE LEU +SEQRES 1 C 223 MET ARG SER SER LYS ASN VAL ILE LYS GLU PHE MET ARG +SEQRES 2 C 223 PHE LYS VAL ARG MET GLU GLY THR VAL ASN GLY HIS GLU +SEQRES 3 C 223 PHE GLU ILE GLU GLY GLU GLY GLU GLY ARG PRO TYR GLU +SEQRES 4 C 223 GLY HIS ASN THR VAL LYS LEU LYS VAL THR LYS GLY GLY +SEQRES 5 C 223 PRO LEU PRO PHE ALA TRP ASP ILE LEU SER PRO GLN PHE +SEQRES 6 C 223 CRQ SER LYS VAL TYR VAL LYS HIS PRO ALA ASP ILE PRO +SEQRES 7 C 223 ASP TYR LYS LYS LEU SER PHE PRO GLU GLY PHE LYS TRP +SEQRES 8 C 223 GLU ARG VAL MET ASN PHE GLU ASP GLY GLY VAL VAL THR +SEQRES 9 C 223 VAL THR GLN ASP SER SER LEU GLN ASP GLY CYS PHE ILE +SEQRES 10 C 223 TYR LYS VAL LYS PHE ILE GLY VAL ASN PHE PRO SER ASP +SEQRES 11 C 223 GLY PRO VAL MET GLN LYS LYS THR MET GLY TRP GLU ALA +SEQRES 12 C 223 SER THR GLU ARG LEU TYR PRO ARG ASP GLY VAL LEU LYS +SEQRES 13 C 223 GLY GLU ILE HIS LYS ALA LEU LYS LEU LYS ASP GLY GLY +SEQRES 14 C 223 HIS TYR LEU VAL GLU PHE LYS SER ILE TYR MET ALA LYS +SEQRES 15 C 223 LYS PRO VAL GLN LEU PRO GLY TYR TYR TYR VAL ASP SER +SEQRES 16 C 223 LYS LEU ASP ILE THR SER HIS ASN GLU ASP TYR THR ILE +SEQRES 17 C 223 VAL GLU GLN TYR GLU ARG THR GLU GLY ARG HIS HIS LEU +SEQRES 18 C 223 PHE LEU +SEQRES 1 D 223 MET ARG SER SER LYS ASN VAL ILE LYS GLU PHE MET ARG +SEQRES 2 D 223 PHE LYS VAL ARG MET GLU GLY THR VAL ASN GLY HIS GLU +SEQRES 3 D 223 PHE GLU ILE GLU GLY GLU GLY GLU GLY ARG PRO TYR GLU +SEQRES 4 D 223 GLY HIS ASN THR VAL LYS LEU LYS VAL THR LYS GLY GLY +SEQRES 5 D 223 PRO LEU PRO PHE ALA TRP ASP ILE LEU SER PRO GLN PHE +SEQRES 6 D 223 CRQ SER LYS VAL TYR VAL LYS HIS PRO ALA ASP ILE PRO +SEQRES 7 D 223 ASP TYR LYS LYS LEU SER PHE PRO GLU GLY PHE LYS TRP +SEQRES 8 D 223 GLU ARG VAL MET ASN PHE GLU ASP GLY GLY VAL VAL THR +SEQRES 9 D 223 VAL THR GLN ASP SER SER LEU GLN ASP GLY CYS PHE ILE +SEQRES 10 D 223 TYR LYS VAL LYS PHE ILE GLY VAL ASN PHE PRO SER ASP +SEQRES 11 D 223 GLY PRO VAL MET GLN LYS LYS THR MET GLY TRP GLU ALA +SEQRES 12 D 223 SER THR GLU ARG LEU TYR PRO ARG ASP GLY VAL LEU LYS +SEQRES 13 D 223 GLY GLU ILE HIS LYS ALA LEU LYS LEU LYS ASP GLY GLY +SEQRES 14 D 223 HIS TYR LEU VAL GLU PHE LYS SER ILE TYR MET ALA LYS +SEQRES 15 D 223 LYS PRO VAL GLN LEU PRO GLY TYR TYR TYR VAL ASP SER +SEQRES 16 D 223 LYS LEU ASP ILE THR SER HIS ASN GLU ASP TYR THR ILE +SEQRES 17 D 223 VAL GLU GLN TYR GLU ARG THR GLU GLY ARG HIS HIS LEU +SEQRES 18 D 223 PHE LEU +MODRES 1GGX CRQ A 68 GLN +MODRES 1GGX CRQ A 68 TYR +MODRES 1GGX CRQ A 68 GLY +MODRES 1GGX CRQ B 68 GLN +MODRES 1GGX CRQ B 68 TYR +MODRES 1GGX CRQ B 68 GLY +MODRES 1GGX CRQ C 68 GLN +MODRES 1GGX CRQ C 68 TYR +MODRES 1GGX CRQ C 68 GLY +MODRES 1GGX CRQ D 68 GLN +MODRES 1GGX CRQ D 68 TYR +MODRES 1GGX CRQ D 68 GLY +HET CRQ A 68 24 +HET CRQ B 68 24 +HET CRQ C 68 24 +HET CRQ D 68 24 +HETNAM CRQ [2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY- +HETNAM 2 CRQ BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC +HETNAM 3 CRQ ACID +HETSYN CRQ CHROMOPHORE (GLN-TYR-GLY) +FORMUL 1 CRQ 4(C16 H16 N4 O5) +FORMUL 5 HOH *579(H2 O) +HELIX 1 1 TRP A 58 SER A 62 5 5 +HELIX 2 2 LYS A 70 TYR A 72 5 3 +HELIX 3 3 TYR A 82 LEU A 85 1 4 +HELIX 4 4 TRP B 58 SER B 62 5 5 +HELIX 5 5 LYS B 70 TYR B 72 5 3 +HELIX 6 6 TYR B 82 LEU B 85 1 4 +HELIX 7 7 TRP C 58 SER C 62 5 5 +HELIX 8 8 LYS C 70 TYR C 72 5 3 +HELIX 9 9 TYR C 82 LEU C 85 1 4 +HELIX 10 10 TRP D 58 SER D 62 5 5 +HELIX 11 11 LYS D 70 TYR D 72 5 3 +HELIX 12 12 TYR D 82 LEU D 85 1 4 +SHEET 1 A12 HIS A 25 GLY A 35 0 +SHEET 2 A12 MET A 12 VAL A 22 -1 N VAL A 22 O HIS A 25 +SHEET 3 A12 CYS A 117 VAL A 127 1 N PHE A 118 O ARG A 13 +SHEET 4 A12 VAL A 104 GLN A 114 -1 N GLN A 114 O CYS A 117 +SHEET 5 A12 PHE A 91 PHE A 99 -1 N MET A 97 O VAL A 105 +SHEET 6 A12 HIS A 172 ALA A 183 -1 N MET A 182 O LYS A 92 +SHEET 7 A12 VAL A 156 LYS A 166 -1 N LEU A 165 O TYR A 173 +SHEET 8 A12 SER A 146 ARG A 153 -1 N ARG A 153 O VAL A 156 +SHEET 9 A12 TYR A 193 HIS A 204 -1 N SER A 197 O SER A 146 +SHEET 10 A12 ILE A 210 ARG A 220 -1 N ARG A 220 O TYR A 194 +SHEET 11 A12 HIS A 41 LYS A 50 -1 N LEU A 46 O VAL A 211 +SHEET 12 A12 GLU A 28 ARG A 36 -1 N ARG A 36 O HIS A 41 +SHEET 1 B12 HIS B 25 GLY B 35 0 +SHEET 2 B12 MET B 12 VAL B 22 -1 N VAL B 22 O HIS B 25 +SHEET 3 B12 CYS B 117 VAL B 127 1 N PHE B 118 O ARG B 13 +SHEET 4 B12 VAL B 104 GLN B 114 -1 N GLN B 114 O CYS B 117 +SHEET 5 B12 PHE B 91 PHE B 99 -1 N MET B 97 O VAL B 105 +SHEET 6 B12 HIS B 172 ALA B 183 -1 N MET B 182 O LYS B 92 +SHEET 7 B12 VAL B 156 LYS B 166 -1 N LEU B 165 O TYR B 173 +SHEET 8 B12 SER B 146 ARG B 153 -1 N ARG B 153 O VAL B 156 +SHEET 9 B12 TYR B 193 HIS B 204 -1 N SER B 197 O SER B 146 +SHEET 10 B12 ILE B 210 ARG B 220 -1 N ARG B 220 O TYR B 194 +SHEET 11 B12 HIS B 41 LYS B 50 -1 N LEU B 46 O VAL B 211 +SHEET 12 B12 GLU B 28 ARG B 36 -1 N ARG B 36 O HIS B 41 +SHEET 1 C12 HIS C 25 GLY C 35 0 +SHEET 2 C12 MET C 12 VAL C 22 -1 N VAL C 22 O HIS C 25 +SHEET 3 C12 CYS C 117 VAL C 127 1 N PHE C 118 O ARG C 13 +SHEET 4 C12 VAL C 104 GLN C 114 -1 N GLN C 114 O CYS C 117 +SHEET 5 C12 PHE C 91 PHE C 99 -1 N MET C 97 O VAL C 105 +SHEET 6 C12 HIS C 172 ALA C 183 -1 N MET C 182 O LYS C 92 +SHEET 7 C12 VAL C 156 LYS C 166 -1 N LEU C 165 O TYR C 173 +SHEET 8 C12 SER C 146 ARG C 153 -1 N ARG C 153 O VAL C 156 +SHEET 9 C12 TYR C 193 HIS C 204 -1 N SER C 197 O SER C 146 +SHEET 10 C12 ILE C 210 ARG C 220 -1 N ARG C 220 O TYR C 194 +SHEET 11 C12 HIS C 41 LYS C 50 -1 N LEU C 46 O VAL C 211 +SHEET 12 C12 GLU C 28 ARG C 36 -1 N ARG C 36 O HIS C 41 +SHEET 1 D12 HIS D 25 GLY D 35 0 +SHEET 2 D12 MET D 12 VAL D 22 -1 N VAL D 22 O HIS D 25 +SHEET 3 D12 CYS D 117 VAL D 127 1 N PHE D 118 O LYS D 15 +SHEET 4 D12 VAL D 104 GLN D 114 -1 N GLN D 114 O CYS D 117 +SHEET 5 D12 PHE D 91 PHE D 99 -1 N MET D 97 O VAL D 105 +SHEET 6 D12 HIS D 172 ALA D 183 -1 N MET D 182 O LYS D 92 +SHEET 7 D12 VAL D 156 LYS D 166 -1 N LEU D 165 O TYR D 173 +SHEET 8 D12 SER D 146 ARG D 153 -1 N ARG D 153 O VAL D 156 +SHEET 9 D12 TYR D 193 HIS D 204 -1 N SER D 197 O SER D 146 +SHEET 10 D12 ILE D 210 ARG D 220 -1 N ARG D 220 O TYR D 194 +SHEET 11 D12 HIS D 41 LYS D 50 -1 N LEU D 46 O VAL D 211 +SHEET 12 D12 GLU D 28 ARG D 36 -1 N ARG D 36 O HIS D 41 +LINK C PHE A 65 N1 CRQ A 68 1555 1555 1.39 +LINK C3 CRQ A 68 N SER A 69 1555 1555 1.34 +LINK C PHE B 65 N1 CRQ B 68 1555 1555 1.38 +LINK C3 CRQ B 68 N SER B 69 1555 1555 1.34 +LINK C PHE C 65 N1 CRQ C 68 1555 1555 1.39 +LINK C3 CRQ C 68 N SER C 69 1555 1555 1.35 +LINK C PHE D 65 N1 CRQ D 68 1555 1555 1.37 +LINK C3 CRQ D 68 N SER D 69 1555 1555 1.34 +CISPEP 1 GLY A 52 PRO A 53 0 -0.19 +CISPEP 2 PHE A 87 PRO A 88 0 0.59 +CISPEP 3 GLY B 52 PRO B 53 0 -0.10 +CISPEP 4 PHE B 87 PRO B 88 0 0.30 +CISPEP 5 GLY C 52 PRO C 53 0 0.10 +CISPEP 6 PHE C 87 PRO C 88 0 1.26 +CISPEP 7 GLY D 52 PRO D 53 0 -0.17 +CISPEP 8 PHE D 87 PRO D 88 0 -0.02 +CRYST1 56.206 129.621 57.441 90.00 99.15 90.00 P 1 21 1 8 +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 0.017792 0.000000 0.002866 0.00000 +SCALE2 0.000000 0.007715 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.017633 0.00000 +ATOM 1 N VAL A 7 40.369 86.010 14.709 1.00 29.62 N +ATOM 2 CA VAL A 7 39.041 86.427 14.168 1.00 29.47 C +ATOM 3 C VAL A 7 37.895 85.888 15.030 1.00 28.61 C +ATOM 4 O VAL A 7 36.877 86.556 15.224 1.00 27.13 O +ATOM 5 CB VAL A 7 38.862 85.930 12.710 1.00 31.73 C +ATOM 6 CG1 VAL A 7 37.488 86.301 12.190 1.00 29.70 C +ATOM 7 CG2 VAL A 7 39.941 86.532 11.826 1.00 32.36 C +ATOM 8 N ILE A 8 38.063 84.675 15.544 1.00 27.12 N +ATOM 9 CA ILE A 8 37.042 84.067 16.384 1.00 26.50 C +ATOM 10 C ILE A 8 37.455 84.136 17.853 1.00 26.07 C +ATOM 11 O ILE A 8 38.309 83.375 18.304 1.00 25.59 O +ATOM 12 CB ILE A 8 36.800 82.601 15.978 1.00 26.70 C +ATOM 13 CG1 ILE A 8 36.214 82.557 14.561 1.00 26.58 C +ATOM 14 CG2 ILE A 8 35.863 81.929 16.972 1.00 25.67 C +ATOM 15 CD1 ILE A 8 35.978 81.165 14.034 1.00 28.68 C +ATOM 16 N LYS A 9 36.841 85.065 18.583 1.00 26.86 N +ATOM 17 CA LYS A 9 37.123 85.269 20.003 1.00 27.01 C +ATOM 18 C LYS A 9 36.512 84.147 20.837 1.00 26.33 C +ATOM 19 O LYS A 9 35.665 83.394 20.354 1.00 25.13 O +ATOM 20 CB LYS A 9 36.543 86.611 20.469 1.00 29.33 C +ATOM 21 CG LYS A 9 37.122 87.845 19.785 1.00 32.87 C +ATOM 22 CD LYS A 9 38.525 88.161 20.287 1.00 36.21 C +ATOM 23 CE LYS A 9 39.030 89.483 19.720 1.00 38.61 C +ATOM 24 NZ LYS A 9 40.386 89.835 20.244 1.00 40.02 N +ATOM 25 N GLU A 10 36.938 84.041 22.091 1.00 25.36 N +ATOM 26 CA GLU A 10 36.412 83.007 22.975 1.00 24.37 C +ATOM 27 C GLU A 10 34.946 83.261 23.269 1.00 22.82 C +ATOM 28 O GLU A 10 34.211 82.348 23.637 1.00 22.28 O +ATOM 29 CB GLU A 10 37.227 82.948 24.265 1.00 26.07 C +ATOM 30 CG GLU A 10 38.664 82.538 24.008 1.00 28.20 C +ATOM 31 CD GLU A 10 39.379 82.086 25.253 1.00 29.21 C +ATOM 32 OE1 GLU A 10 38.873 81.159 25.919 1.00 28.30 O +ATOM 33 OE2 GLU A 10 40.448 82.651 25.560 1.00 30.85 O +ATOM 34 N PHE A 11 34.530 84.515 23.117 1.00 23.26 N +ATOM 35 CA PHE A 11 33.135 84.891 23.304 1.00 22.44 C +ATOM 36 C PHE A 11 32.711 85.612 22.033 1.00 22.81 C +ATOM 37 O PHE A 11 33.334 86.598 21.632 1.00 20.98 O +ATOM 38 CB PHE A 11 32.943 85.828 24.497 1.00 22.12 C +ATOM 39 CG PHE A 11 31.526 86.321 24.650 1.00 23.06 C +ATOM 40 CD1 PHE A 11 30.501 85.438 24.981 1.00 23.85 C +ATOM 41 CD2 PHE A 11 31.211 87.658 24.428 1.00 22.90 C +ATOM 42 CE1 PHE A 11 29.179 85.879 25.089 1.00 24.87 C +ATOM 43 CE2 PHE A 11 29.888 88.113 24.533 1.00 26.05 C +ATOM 44 CZ PHE A 11 28.872 87.219 24.863 1.00 24.11 C +ATOM 45 N MET A 12 31.655 85.111 21.401 1.00 22.05 N +ATOM 46 CA MET A 12 31.146 85.699 20.168 1.00 22.20 C +ATOM 47 C MET A 12 29.627 85.762 20.210 1.00 22.22 C +ATOM 48 O MET A 12 28.973 84.856 20.728 1.00 20.20 O +ATOM 49 CB MET A 12 31.583 84.863 18.959 1.00 22.89 C +ATOM 50 CG MET A 12 33.080 84.857 18.681 1.00 24.65 C +ATOM 51 SD MET A 12 33.698 86.471 18.143 1.00 27.02 S +ATOM 52 CE MET A 12 33.312 86.402 16.396 1.00 23.93 C +ATOM 53 N ARG A 13 29.075 86.841 19.663 1.00 21.53 N +ATOM 54 CA ARG A 13 27.633 87.027 19.613 1.00 22.29 C +ATOM 55 C ARG A 13 27.206 86.866 18.161 1.00 20.91 C +ATOM 56 O ARG A 13 28.046 86.885 17.260 1.00 18.75 O +ATOM 57 CB ARG A 13 27.270 88.432 20.107 1.00 24.81 C +ATOM 58 CG ARG A 13 27.843 88.759 21.482 1.00 29.42 C +ATOM 59 CD ARG A 13 27.867 90.257 21.755 1.00 36.14 C +ATOM 60 NE ARG A 13 26.585 90.773 22.225 1.00 40.79 N +ATOM 61 CZ ARG A 13 26.063 90.512 23.420 1.00 43.61 C +ATOM 62 NH1 ARG A 13 26.712 89.736 24.280 1.00 44.77 N +ATOM 63 NH2 ARG A 13 24.888 91.028 23.759 1.00 46.21 N +ATOM 64 N PHE A 14 25.907 86.693 17.932 1.00 19.17 N +ATOM 65 CA PHE A 14 25.408 86.568 16.570 1.00 18.51 C +ATOM 66 C PHE A 14 23.975 87.062 16.404 1.00 17.48 C +ATOM 67 O PHE A 14 23.191 87.087 17.352 1.00 17.59 O +ATOM 68 CB PHE A 14 25.545 85.116 16.068 1.00 17.00 C +ATOM 69 CG PHE A 14 24.592 84.128 16.704 1.00 15.87 C +ATOM 70 CD1 PHE A 14 23.291 83.985 16.231 1.00 16.36 C +ATOM 71 CD2 PHE A 14 25.026 83.283 17.727 1.00 18.38 C +ATOM 72 CE1 PHE A 14 22.434 83.012 16.757 1.00 15.00 C +ATOM 73 CE2 PHE A 14 24.178 82.305 18.260 1.00 17.82 C +ATOM 74 CZ PHE A 14 22.881 82.170 17.772 1.00 15.21 C +ATOM 75 N LYS A 15 23.658 87.484 15.188 1.00 16.90 N +ATOM 76 CA LYS A 15 22.327 87.964 14.849 1.00 17.01 C +ATOM 77 C LYS A 15 21.820 87.021 13.776 1.00 15.24 C +ATOM 78 O LYS A 15 22.580 86.609 12.906 1.00 15.90 O +ATOM 79 CB LYS A 15 22.391 89.385 14.294 1.00 19.82 C +ATOM 80 CG LYS A 15 22.860 90.422 15.295 1.00 23.70 C +ATOM 81 CD LYS A 15 22.807 91.806 14.678 1.00 27.92 C +ATOM 82 CE LYS A 15 23.218 92.877 15.668 1.00 30.60 C +ATOM 83 NZ LYS A 15 23.175 94.226 15.034 1.00 31.56 N +ATOM 84 N VAL A 16 20.543 86.674 13.836 1.00 14.14 N +ATOM 85 CA VAL A 16 19.987 85.755 12.852 1.00 15.63 C +ATOM 86 C VAL A 16 18.604 86.184 12.401 1.00 15.15 C +ATOM 87 O VAL A 16 17.826 86.735 13.177 1.00 14.55 O +ATOM 88 CB VAL A 16 19.919 84.311 13.426 1.00 16.10 C +ATOM 89 CG1 VAL A 16 19.078 84.290 14.687 1.00 14.48 C +ATOM 90 CG2 VAL A 16 19.355 83.345 12.379 1.00 16.27 C +ATOM 91 N ARG A 17 18.313 85.937 11.131 1.00 14.39 N +ATOM 92 CA ARG A 17 17.019 86.268 10.559 1.00 16.90 C +ATOM 93 C ARG A 17 16.606 85.112 9.657 1.00 14.95 C +ATOM 94 O ARG A 17 17.402 84.643 8.845 1.00 16.66 O +ATOM 95 CB ARG A 17 17.106 87.551 9.722 1.00 17.79 C +ATOM 96 CG ARG A 17 15.764 87.973 9.154 1.00 23.76 C +ATOM 97 CD ARG A 17 15.893 89.024 8.069 1.00 27.18 C +ATOM 98 NE ARG A 17 14.589 89.315 7.481 1.00 33.05 N +ATOM 99 CZ ARG A 17 14.406 90.002 6.359 1.00 37.15 C +ATOM 100 NH1 ARG A 17 15.450 90.477 5.689 1.00 38.42 N +ATOM 101 NH2 ARG A 17 13.177 90.217 5.907 1.00 38.76 N +ATOM 102 N MET A 18 15.373 84.645 9.814 1.00 14.18 N +ATOM 103 CA MET A 18 14.866 83.558 8.988 1.00 15.26 C +ATOM 104 C MET A 18 13.597 83.955 8.253 1.00 15.15 C +ATOM 105 O MET A 18 12.701 84.576 8.823 1.00 15.98 O +ATOM 106 CB MET A 18 14.550 82.311 9.823 1.00 15.01 C +ATOM 107 CG MET A 18 13.851 81.206 9.013 1.00 15.76 C +ATOM 108 SD MET A 18 13.148 79.853 9.999 1.00 18.44 S +ATOM 109 CE MET A 18 14.675 78.988 10.485 1.00 17.84 C +ATOM 110 N GLU A 19 13.539 83.591 6.979 1.00 14.09 N +ATOM 111 CA GLU A 19 12.371 83.830 6.152 1.00 16.39 C +ATOM 112 C GLU A 19 11.934 82.417 5.786 1.00 16.01 C +ATOM 113 O GLU A 19 12.700 81.669 5.178 1.00 14.23 O +ATOM 114 CB GLU A 19 12.748 84.617 4.891 1.00 18.89 C +ATOM 115 CG GLU A 19 12.991 86.101 5.134 1.00 23.42 C +ATOM 116 CD GLU A 19 13.460 86.831 3.880 1.00 27.50 C +ATOM 117 OE1 GLU A 19 12.836 86.657 2.815 1.00 28.55 O +ATOM 118 OE2 GLU A 19 14.450 87.584 3.961 1.00 30.70 O +ATOM 119 N GLY A 20 10.722 82.036 6.170 1.00 15.76 N +ATOM 120 CA GLY A 20 10.282 80.691 5.857 1.00 16.03 C +ATOM 121 C GLY A 20 8.814 80.495 5.562 1.00 15.99 C +ATOM 122 O GLY A 20 8.008 81.417 5.671 1.00 15.49 O +ATOM 123 N THR A 21 8.479 79.271 5.164 1.00 16.48 N +ATOM 124 CA THR A 21 7.108 78.892 4.859 1.00 16.12 C +ATOM 125 C THR A 21 6.946 77.423 5.225 1.00 16.23 C +ATOM 126 O THR A 21 7.863 76.621 5.044 1.00 14.89 O +ATOM 127 CB THR A 21 6.777 79.037 3.352 1.00 18.46 C +ATOM 128 OG1 THR A 21 7.616 78.153 2.600 1.00 21.73 O +ATOM 129 CG2 THR A 21 7.000 80.461 2.873 1.00 17.98 C +ATOM 130 N VAL A 22 5.782 77.083 5.758 1.00 15.47 N +ATOM 131 CA VAL A 22 5.469 75.712 6.125 1.00 14.58 C +ATOM 132 C VAL A 22 4.030 75.482 5.690 1.00 14.31 C +ATOM 133 O VAL A 22 3.124 76.192 6.125 1.00 14.82 O +ATOM 134 CB VAL A 22 5.611 75.481 7.648 1.00 15.88 C +ATOM 135 CG1 VAL A 22 5.057 74.115 8.025 1.00 13.88 C +ATOM 136 CG2 VAL A 22 7.086 75.567 8.047 1.00 13.30 C +ATOM 137 N ASN A 23 3.827 74.511 4.806 1.00 12.27 N +ATOM 138 CA ASN A 23 2.492 74.206 4.311 1.00 13.86 C +ATOM 139 C ASN A 23 1.734 75.451 3.858 1.00 15.28 C +ATOM 140 O ASN A 23 0.552 75.612 4.170 1.00 17.41 O +ATOM 141 CB ASN A 23 1.690 73.472 5.392 1.00 12.76 C +ATOM 142 CG ASN A 23 1.980 71.985 5.423 1.00 15.61 C +ATOM 143 OD1 ASN A 23 3.013 71.530 4.927 1.00 16.69 O +ATOM 144 ND2 ASN A 23 1.070 71.217 6.013 1.00 13.63 N +ATOM 145 N GLY A 24 2.417 76.335 3.136 1.00 15.15 N +ATOM 146 CA GLY A 24 1.772 77.537 2.632 1.00 15.96 C +ATOM 147 C GLY A 24 1.685 78.719 3.585 1.00 17.45 C +ATOM 148 O GLY A 24 1.185 79.781 3.206 1.00 19.43 O +ATOM 149 N HIS A 25 2.165 78.549 4.812 1.00 16.84 N +ATOM 150 CA HIS A 25 2.128 79.627 5.800 1.00 18.19 C +ATOM 151 C HIS A 25 3.474 80.337 5.866 1.00 18.78 C +ATOM 152 O HIS A 25 4.493 79.719 6.168 1.00 19.38 O +ATOM 153 CB HIS A 25 1.788 79.071 7.182 1.00 19.36 C +ATOM 154 CG HIS A 25 1.620 80.125 8.231 1.00 20.59 C +ATOM 155 ND1 HIS A 25 0.435 80.801 8.424 1.00 20.75 N +ATOM 156 CD2 HIS A 25 2.492 80.631 9.135 1.00 20.35 C +ATOM 157 CE1 HIS A 25 0.583 81.676 9.403 1.00 20.49 C +ATOM 158 NE2 HIS A 25 1.823 81.593 9.850 1.00 21.05 N +ATOM 159 N GLU A 26 3.474 81.639 5.600 1.00 18.75 N +ATOM 160 CA GLU A 26 4.705 82.417 5.628 1.00 19.16 C +ATOM 161 C GLU A 26 4.955 83.058 6.980 1.00 17.82 C +ATOM 162 O GLU A 26 4.020 83.477 7.668 1.00 16.35 O +ATOM 163 CB GLU A 26 4.661 83.495 4.547 1.00 23.48 C +ATOM 164 CG GLU A 26 4.798 82.935 3.151 1.00 28.38 C +ATOM 165 CD GLU A 26 4.352 83.910 2.091 1.00 34.45 C +ATOM 166 OE1 GLU A 26 4.828 85.069 2.114 1.00 34.74 O +ATOM 167 OE2 GLU A 26 3.526 83.510 1.238 1.00 36.45 O +ATOM 168 N PHE A 27 6.226 83.141 7.353 1.00 16.94 N +ATOM 169 CA PHE A 27 6.598 83.729 8.628 1.00 16.92 C +ATOM 170 C PHE A 27 8.030 84.248 8.591 1.00 17.13 C +ATOM 171 O PHE A 27 8.819 83.868 7.720 1.00 16.90 O +ATOM 172 CB PHE A 27 6.440 82.685 9.743 1.00 17.68 C +ATOM 173 CG PHE A 27 7.313 81.474 9.568 1.00 17.63 C +ATOM 174 CD1 PHE A 27 8.610 81.453 10.074 1.00 17.45 C +ATOM 175 CD2 PHE A 27 6.851 80.366 8.860 1.00 18.31 C +ATOM 176 CE1 PHE A 27 9.438 80.344 9.876 1.00 18.06 C +ATOM 177 CE2 PHE A 27 7.668 79.255 8.656 1.00 16.94 C +ATOM 178 CZ PHE A 27 8.963 79.243 9.164 1.00 16.57 C +ATOM 179 N GLU A 28 8.346 85.133 9.531 1.00 17.26 N +ATOM 180 CA GLU A 28 9.679 85.709 9.660 1.00 18.09 C +ATOM 181 C GLU A 28 10.072 85.691 11.124 1.00 16.35 C +ATOM 182 O GLU A 28 9.245 85.931 12.000 1.00 16.47 O +ATOM 183 CB GLU A 28 9.713 87.151 9.152 1.00 21.65 C +ATOM 184 CG GLU A 28 9.772 87.275 7.642 1.00 27.81 C +ATOM 185 CD GLU A 28 10.006 88.703 7.195 1.00 31.89 C +ATOM 186 OE1 GLU A 28 10.940 89.345 7.723 1.00 31.30 O +ATOM 187 OE2 GLU A 28 9.261 89.180 6.314 1.00 36.05 O +ATOM 188 N ILE A 29 11.343 85.415 11.381 1.00 16.88 N +ATOM 189 CA ILE A 29 11.857 85.353 12.738 1.00 16.41 C +ATOM 190 C ILE A 29 13.215 86.033 12.788 1.00 16.05 C +ATOM 191 O ILE A 29 14.017 85.884 11.872 1.00 16.43 O +ATOM 192 CB ILE A 29 12.021 83.881 13.188 1.00 16.11 C +ATOM 193 CG1 ILE A 29 10.661 83.180 13.152 1.00 17.42 C +ATOM 194 CG2 ILE A 29 12.639 83.816 14.586 1.00 16.63 C +ATOM 195 CD1 ILE A 29 10.704 81.696 13.467 1.00 14.27 C +ATOM 196 N GLU A 30 13.457 86.802 13.844 1.00 15.64 N +ATOM 197 CA GLU A 30 14.739 87.472 14.027 1.00 16.50 C +ATOM 198 C GLU A 30 15.229 87.125 15.426 1.00 16.39 C +ATOM 199 O GLU A 30 14.427 86.926 16.336 1.00 16.46 O +ATOM 200 CB GLU A 30 14.587 88.989 13.888 1.00 19.76 C +ATOM 201 CG GLU A 30 13.977 89.417 12.568 1.00 21.47 C +ATOM 202 CD GLU A 30 14.129 90.901 12.313 1.00 25.32 C +ATOM 203 OE1 GLU A 30 13.922 91.696 13.255 1.00 24.66 O +ATOM 204 OE2 GLU A 30 14.445 91.269 11.165 1.00 26.79 O +ATOM 205 N GLY A 31 16.542 87.043 15.604 1.00 17.49 N +ATOM 206 CA GLY A 31 17.054 86.710 16.917 1.00 17.47 C +ATOM 207 C GLY A 31 18.476 87.159 17.174 1.00 18.43 C +ATOM 208 O GLY A 31 19.164 87.661 16.286 1.00 17.56 O +ATOM 209 N GLU A 32 18.909 86.983 18.415 1.00 19.28 N +ATOM 210 CA GLU A 32 20.258 87.341 18.822 1.00 20.99 C +ATOM 211 C GLU A 32 20.770 86.229 19.715 1.00 20.63 C +ATOM 212 O GLU A 32 20.053 85.743 20.592 1.00 21.85 O +ATOM 213 CB GLU A 32 20.258 88.674 19.580 1.00 25.00 C +ATOM 214 CG GLU A 32 20.456 89.890 18.687 1.00 31.36 C +ATOM 215 CD GLU A 32 20.191 91.198 19.411 1.00 35.98 C +ATOM 216 OE1 GLU A 32 20.644 91.343 20.568 1.00 36.90 O +ATOM 217 OE2 GLU A 32 19.535 92.084 18.818 1.00 37.28 O +ATOM 218 N GLY A 33 22.006 85.814 19.481 1.00 19.25 N +ATOM 219 CA GLY A 33 22.576 84.755 20.282 1.00 18.87 C +ATOM 220 C GLY A 33 23.962 85.120 20.748 1.00 18.30 C +ATOM 221 O GLY A 33 24.433 86.235 20.531 1.00 17.64 O +ATOM 222 N GLU A 34 24.614 84.170 21.401 1.00 18.28 N +ATOM 223 CA GLU A 34 25.959 84.369 21.910 1.00 19.31 C +ATOM 224 C GLU A 34 26.453 83.033 22.425 1.00 19.17 C +ATOM 225 O GLU A 34 25.657 82.152 22.745 1.00 19.05 O +ATOM 226 CB GLU A 34 25.958 85.402 23.041 1.00 19.62 C +ATOM 227 CG GLU A 34 24.999 85.094 24.175 1.00 21.53 C +ATOM 228 CD GLU A 34 25.110 86.093 25.315 1.00 25.20 C +ATOM 229 OE1 GLU A 34 24.575 87.212 25.179 1.00 28.17 O +ATOM 230 OE2 GLU A 34 25.739 85.764 26.342 1.00 27.54 O +ATOM 231 N GLY A 35 27.766 82.876 22.494 1.00 19.67 N +ATOM 232 CA GLY A 35 28.306 81.622 22.970 1.00 20.27 C +ATOM 233 C GLY A 35 29.810 81.628 23.036 1.00 19.50 C +ATOM 234 O GLY A 35 30.447 82.658 22.829 1.00 18.48 O +ATOM 235 N ARG A 36 30.365 80.456 23.321 1.00 18.73 N +ATOM 236 CA ARG A 36 31.802 80.252 23.451 1.00 19.41 C +ATOM 237 C ARG A 36 32.201 79.232 22.387 1.00 19.77 C +ATOM 238 O ARG A 36 32.154 78.023 22.623 1.00 19.46 O +ATOM 239 CB ARG A 36 32.105 79.705 24.846 1.00 20.84 C +ATOM 240 CG ARG A 36 31.534 80.548 25.986 1.00 25.07 C +ATOM 241 CD ARG A 36 32.465 81.689 26.358 1.00 27.75 C +ATOM 242 NE ARG A 36 33.717 81.185 26.915 1.00 32.58 N +ATOM 243 CZ ARG A 36 33.801 80.485 28.042 1.00 34.48 C +ATOM 244 NH1 ARG A 36 32.703 80.208 28.739 1.00 34.31 N +ATOM 245 NH2 ARG A 36 34.979 80.047 28.465 1.00 36.24 N +ATOM 246 N PRO A 37 32.608 79.712 21.201 1.00 19.76 N +ATOM 247 CA PRO A 37 33.011 78.861 20.075 1.00 19.53 C +ATOM 248 C PRO A 37 34.008 77.731 20.322 1.00 19.16 C +ATOM 249 O PRO A 37 33.934 76.695 19.661 1.00 17.67 O +ATOM 250 CB PRO A 37 33.512 79.868 19.033 1.00 20.26 C +ATOM 251 CG PRO A 37 33.888 81.084 19.854 1.00 21.24 C +ATOM 252 CD PRO A 37 32.787 81.137 20.870 1.00 19.41 C +ATOM 253 N TYR A 38 34.934 77.911 21.258 1.00 18.53 N +ATOM 254 CA TYR A 38 35.915 76.861 21.517 1.00 18.63 C +ATOM 255 C TYR A 38 35.476 75.913 22.620 1.00 19.25 C +ATOM 256 O TYR A 38 36.143 74.910 22.886 1.00 19.75 O +ATOM 257 CB TYR A 38 37.274 77.472 21.870 1.00 19.69 C +ATOM 258 CG TYR A 38 37.796 78.395 20.798 1.00 21.21 C +ATOM 259 CD1 TYR A 38 37.464 79.750 20.794 1.00 21.09 C +ATOM 260 CD2 TYR A 38 38.570 77.904 19.748 1.00 22.10 C +ATOM 261 CE1 TYR A 38 37.887 80.593 19.771 1.00 21.61 C +ATOM 262 CE2 TYR A 38 38.995 78.738 18.715 1.00 22.02 C +ATOM 263 CZ TYR A 38 38.648 80.080 18.735 1.00 22.98 C +ATOM 264 OH TYR A 38 39.054 80.911 17.718 1.00 23.95 O +ATOM 265 N GLU A 39 34.346 76.220 23.251 1.00 19.42 N +ATOM 266 CA GLU A 39 33.839 75.383 24.330 1.00 21.46 C +ATOM 267 C GLU A 39 32.583 74.590 23.960 1.00 19.98 C +ATOM 268 O GLU A 39 32.154 73.720 24.714 1.00 18.04 O +ATOM 269 CB GLU A 39 33.573 76.243 25.571 1.00 24.82 C +ATOM 270 CG GLU A 39 34.828 76.874 26.166 1.00 29.96 C +ATOM 271 CD GLU A 39 35.851 75.836 26.602 1.00 34.07 C +ATOM 272 OE1 GLU A 39 36.384 75.112 25.731 1.00 38.21 O +ATOM 273 OE2 GLU A 39 36.119 75.738 27.818 1.00 36.17 O +ATOM 274 N GLY A 40 31.996 74.893 22.806 1.00 19.49 N +ATOM 275 CA GLY A 40 30.811 74.171 22.366 1.00 18.90 C +ATOM 276 C GLY A 40 29.486 74.577 22.987 1.00 18.87 C +ATOM 277 O GLY A 40 28.572 73.755 23.080 1.00 17.70 O +ATOM 278 N HIS A 41 29.370 75.835 23.408 1.00 17.52 N +ATOM 279 CA HIS A 41 28.131 76.330 24.010 1.00 19.13 C +ATOM 280 C HIS A 41 27.664 77.598 23.314 1.00 18.44 C +ATOM 281 O HIS A 41 28.474 78.453 22.973 1.00 17.19 O +ATOM 282 CB HIS A 41 28.322 76.683 25.490 1.00 22.20 C +ATOM 283 CG HIS A 41 28.744 75.534 26.346 1.00 27.45 C +ATOM 284 ND1 HIS A 41 27.951 74.427 26.553 1.00 29.08 N +ATOM 285 CD2 HIS A 41 29.878 75.324 27.055 1.00 29.64 C +ATOM 286 CE1 HIS A 41 28.578 73.582 27.352 1.00 30.20 C +ATOM 287 NE2 HIS A 41 29.750 74.103 27.671 1.00 31.03 N +ATOM 288 N ASN A 42 26.355 77.721 23.121 1.00 16.94 N +ATOM 289 CA ASN A 42 25.798 78.918 22.513 1.00 17.26 C +ATOM 290 C ASN A 42 24.290 78.965 22.752 1.00 17.17 C +ATOM 291 O ASN A 42 23.620 77.927 22.793 1.00 16.74 O +ATOM 292 CB ASN A 42 26.158 78.979 21.017 1.00 18.11 C +ATOM 293 CG ASN A 42 25.243 78.139 20.140 1.00 21.07 C +ATOM 294 OD1 ASN A 42 24.235 78.630 19.634 1.00 22.88 O +ATOM 295 ND2 ASN A 42 25.593 76.873 19.953 1.00 17.54 N +ATOM 296 N THR A 43 23.766 80.167 22.975 1.00 15.69 N +ATOM 297 CA THR A 43 22.336 80.333 23.209 1.00 17.15 C +ATOM 298 C THR A 43 21.796 81.397 22.268 1.00 17.35 C +ATOM 299 O THR A 43 22.555 82.194 21.718 1.00 17.06 O +ATOM 300 CB THR A 43 22.022 80.760 24.667 1.00 18.64 C +ATOM 301 OG1 THR A 43 22.584 82.050 24.923 1.00 18.85 O +ATOM 302 CG2 THR A 43 22.591 79.758 25.655 1.00 21.05 C +ATOM 303 N VAL A 44 20.482 81.407 22.083 1.00 17.19 N +ATOM 304 CA VAL A 44 19.857 82.371 21.190 1.00 16.96 C +ATOM 305 C VAL A 44 18.417 82.630 21.621 1.00 17.87 C +ATOM 306 O VAL A 44 17.742 81.735 22.130 1.00 17.39 O +ATOM 307 CB VAL A 44 19.891 81.851 19.728 1.00 18.01 C +ATOM 308 CG1 VAL A 44 19.172 80.509 19.632 1.00 17.60 C +ATOM 309 CG2 VAL A 44 19.257 82.860 18.793 1.00 18.43 C +ATOM 310 N LYS A 45 17.970 83.869 21.439 1.00 16.61 N +ATOM 311 CA LYS A 45 16.613 84.280 21.783 1.00 18.66 C +ATOM 312 C LYS A 45 15.939 84.691 20.477 1.00 17.36 C +ATOM 313 O LYS A 45 16.471 85.521 19.742 1.00 15.69 O +ATOM 314 CB LYS A 45 16.654 85.468 22.752 1.00 21.02 C +ATOM 315 CG LYS A 45 15.286 85.953 23.217 1.00 25.88 C +ATOM 316 CD LYS A 45 15.423 87.086 24.228 1.00 28.79 C +ATOM 317 CE LYS A 45 14.064 87.525 24.768 1.00 31.39 C +ATOM 318 NZ LYS A 45 14.179 88.715 25.667 1.00 31.85 N +ATOM 319 N LEU A 46 14.772 84.118 20.194 1.00 18.07 N +ATOM 320 CA LEU A 46 14.056 84.403 18.953 1.00 16.74 C +ATOM 321 C LEU A 46 12.702 85.077 19.115 1.00 17.95 C +ATOM 322 O LEU A 46 12.015 84.908 20.124 1.00 16.14 O +ATOM 323 CB LEU A 46 13.838 83.111 18.151 1.00 17.77 C +ATOM 324 CG LEU A 46 15.017 82.248 17.689 1.00 16.65 C +ATOM 325 CD1 LEU A 46 16.044 83.112 16.976 1.00 14.89 C +ATOM 326 CD2 LEU A 46 15.642 81.548 18.881 1.00 14.67 C +ATOM 327 N LYS A 47 12.317 85.828 18.089 1.00 17.33 N +ATOM 328 CA LYS A 47 11.038 86.511 18.077 1.00 18.50 C +ATOM 329 C LYS A 47 10.379 86.338 16.711 1.00 18.48 C +ATOM 330 O LYS A 47 10.988 86.634 15.681 1.00 18.05 O +ATOM 331 CB LYS A 47 11.233 88.000 18.377 1.00 19.73 C +ATOM 332 CG LYS A 47 9.954 88.811 18.302 1.00 25.26 C +ATOM 333 CD LYS A 47 10.200 90.271 18.661 1.00 28.73 C +ATOM 334 CE LYS A 47 9.136 91.163 18.037 1.00 32.20 C +ATOM 335 NZ LYS A 47 9.251 92.587 18.472 1.00 33.05 N +ATOM 336 N VAL A 48 9.148 85.832 16.699 1.00 17.43 N +ATOM 337 CA VAL A 48 8.423 85.666 15.445 1.00 17.27 C +ATOM 338 C VAL A 48 7.989 87.076 15.067 1.00 19.16 C +ATOM 339 O VAL A 48 7.033 87.607 15.632 1.00 18.06 O +ATOM 340 CB VAL A 48 7.172 84.790 15.616 1.00 16.02 C +ATOM 341 CG1 VAL A 48 6.344 84.814 14.344 1.00 15.99 C +ATOM 342 CG2 VAL A 48 7.579 83.367 15.946 1.00 15.51 C +ATOM 343 N THR A 49 8.703 87.680 14.124 1.00 18.75 N +ATOM 344 CA THR A 49 8.408 89.047 13.706 1.00 20.33 C +ATOM 345 C THR A 49 7.293 89.184 12.677 1.00 20.16 C +ATOM 346 O THR A 49 6.748 90.274 12.495 1.00 19.86 O +ATOM 347 CB THR A 49 9.670 89.738 13.173 1.00 20.04 C +ATOM 348 OG1 THR A 49 10.267 88.927 12.155 1.00 23.19 O +ATOM 349 CG2 THR A 49 10.667 89.954 14.307 1.00 21.11 C +ATOM 350 N LYS A 50 6.964 88.089 12.001 1.00 18.39 N +ATOM 351 CA LYS A 50 5.886 88.089 11.013 1.00 19.03 C +ATOM 352 C LYS A 50 5.318 86.681 10.879 1.00 19.01 C +ATOM 353 O LYS A 50 6.062 85.697 10.889 1.00 16.51 O +ATOM 354 CB LYS A 50 6.378 88.572 9.636 1.00 20.41 C +ATOM 355 CG LYS A 50 6.926 90.000 9.621 1.00 23.64 C +ATOM 356 CD LYS A 50 7.039 90.583 8.213 1.00 24.68 C +ATOM 357 CE LYS A 50 5.667 90.870 7.608 1.00 28.67 C +ATOM 358 NZ LYS A 50 5.732 91.766 6.403 1.00 29.59 N +ATOM 359 N GLY A 51 3.997 86.594 10.768 1.00 18.48 N +ATOM 360 CA GLY A 51 3.352 85.304 10.611 1.00 18.91 C +ATOM 361 C GLY A 51 2.991 84.598 11.903 1.00 19.35 C +ATOM 362 O GLY A 51 2.493 83.476 11.872 1.00 18.97 O +ATOM 363 N GLY A 52 3.230 85.248 13.035 1.00 19.16 N +ATOM 364 CA GLY A 52 2.917 84.634 14.312 1.00 19.92 C +ATOM 365 C GLY A 52 1.484 84.868 14.754 1.00 21.40 C +ATOM 366 O GLY A 52 0.863 85.852 14.346 1.00 21.29 O +ATOM 367 N PRO A 53 0.926 83.971 15.586 1.00 19.97 N +ATOM 368 CA PRO A 53 1.613 82.776 16.092 1.00 19.66 C +ATOM 369 C PRO A 53 1.684 81.688 15.022 1.00 18.07 C +ATOM 370 O PRO A 53 0.775 81.553 14.201 1.00 17.40 O +ATOM 371 CB PRO A 53 0.755 82.368 17.286 1.00 20.26 C +ATOM 372 CG PRO A 53 -0.624 82.773 16.847 1.00 20.57 C +ATOM 373 CD PRO A 53 -0.386 84.138 16.237 1.00 20.80 C +ATOM 374 N LEU A 54 2.761 80.914 15.039 1.00 16.53 N +ATOM 375 CA LEU A 54 2.956 79.850 14.058 1.00 16.37 C +ATOM 376 C LEU A 54 1.959 78.703 14.227 1.00 16.89 C +ATOM 377 O LEU A 54 1.709 78.235 15.339 1.00 16.59 O +ATOM 378 CB LEU A 54 4.382 79.307 14.159 1.00 17.30 C +ATOM 379 CG LEU A 54 5.517 80.331 14.087 1.00 18.22 C +ATOM 380 CD1 LEU A 54 6.840 79.613 14.294 1.00 16.82 C +ATOM 381 CD2 LEU A 54 5.507 81.051 12.747 1.00 17.06 C +ATOM 382 N PRO A 55 1.382 78.229 13.113 1.00 16.99 N +ATOM 383 CA PRO A 55 0.412 77.133 13.147 1.00 18.15 C +ATOM 384 C PRO A 55 1.079 75.760 13.166 1.00 18.91 C +ATOM 385 O PRO A 55 0.447 74.760 12.830 1.00 20.21 O +ATOM 386 CB PRO A 55 -0.392 77.361 11.875 1.00 18.96 C +ATOM 387 CG PRO A 55 0.671 77.807 10.918 1.00 19.09 C +ATOM 388 CD PRO A 55 1.486 78.794 11.755 1.00 16.93 C +ATOM 389 N PHE A 56 2.351 75.716 13.554 1.00 17.80 N +ATOM 390 CA PHE A 56 3.083 74.454 13.602 1.00 17.87 C +ATOM 391 C PHE A 56 4.101 74.421 14.732 1.00 16.33 C +ATOM 392 O PHE A 56 4.442 75.458 15.303 1.00 14.23 O +ATOM 393 CB PHE A 56 3.780 74.200 12.259 1.00 18.89 C +ATOM 394 CG PHE A 56 4.752 75.274 11.869 1.00 18.35 C +ATOM 395 CD1 PHE A 56 6.047 75.283 12.381 1.00 17.59 C +ATOM 396 CD2 PHE A 56 4.367 76.292 11.004 1.00 17.68 C +ATOM 397 CE1 PHE A 56 6.944 76.293 12.038 1.00 16.81 C +ATOM 398 CE2 PHE A 56 5.258 77.307 10.655 1.00 18.66 C +ATOM 399 CZ PHE A 56 6.549 77.304 11.175 1.00 17.08 C +ATOM 400 N ALA A 57 4.585 73.219 15.035 1.00 15.14 N +ATOM 401 CA ALA A 57 5.553 73.000 16.104 1.00 14.48 C +ATOM 402 C ALA A 57 6.837 73.802 15.940 1.00 13.08 C +ATOM 403 O ALA A 57 7.499 73.740 14.908 1.00 11.93 O +ATOM 404 CB ALA A 57 5.885 71.508 16.207 1.00 14.72 C +ATOM 405 N TRP A 58 7.192 74.549 16.976 1.00 13.33 N +ATOM 406 CA TRP A 58 8.404 75.351 16.946 1.00 12.53 C +ATOM 407 C TRP A 58 9.655 74.495 16.755 1.00 13.06 C +ATOM 408 O TRP A 58 10.619 74.927 16.123 1.00 11.23 O +ATOM 409 CB TRP A 58 8.538 76.152 18.246 1.00 11.35 C +ATOM 410 CG TRP A 58 9.830 76.894 18.353 1.00 13.84 C +ATOM 411 CD1 TRP A 58 11.002 76.438 18.889 1.00 14.04 C +ATOM 412 CD2 TRP A 58 10.103 78.208 17.851 1.00 14.03 C +ATOM 413 NE1 TRP A 58 11.990 77.388 18.747 1.00 15.97 N +ATOM 414 CE2 TRP A 58 11.464 78.484 18.114 1.00 15.19 C +ATOM 415 CE3 TRP A 58 9.329 79.180 17.203 1.00 15.03 C +ATOM 416 CZ2 TRP A 58 12.070 79.693 17.751 1.00 15.79 C +ATOM 417 CZ3 TRP A 58 9.930 80.382 16.842 1.00 15.54 C +ATOM 418 CH2 TRP A 58 11.290 80.626 17.119 1.00 15.11 C +ATOM 419 N ASP A 59 9.629 73.282 17.302 1.00 13.99 N +ATOM 420 CA ASP A 59 10.779 72.377 17.240 1.00 14.40 C +ATOM 421 C ASP A 59 11.439 72.165 15.875 1.00 14.56 C +ATOM 422 O ASP A 59 12.657 71.998 15.805 1.00 13.96 O +ATOM 423 CB ASP A 59 10.413 71.003 17.816 1.00 15.18 C +ATOM 424 CG ASP A 59 10.167 71.035 19.318 1.00 18.28 C +ATOM 425 OD1 ASP A 59 10.843 71.813 20.024 1.00 17.50 O +ATOM 426 OD2 ASP A 59 9.310 70.257 19.795 1.00 16.92 O +ATOM 427 N ILE A 60 10.661 72.169 14.795 1.00 14.03 N +ATOM 428 CA ILE A 60 11.257 71.935 13.482 1.00 14.53 C +ATOM 429 C ILE A 60 12.139 73.095 13.045 1.00 13.93 C +ATOM 430 O ILE A 60 12.931 72.958 12.114 1.00 13.84 O +ATOM 431 CB ILE A 60 10.186 71.663 12.379 1.00 14.35 C +ATOM 432 CG1 ILE A 60 9.401 72.934 12.058 1.00 15.55 C +ATOM 433 CG2 ILE A 60 9.230 70.562 12.839 1.00 13.78 C +ATOM 434 CD1 ILE A 60 8.468 72.774 10.868 1.00 19.36 C +ATOM 435 N LEU A 61 12.009 74.224 13.737 1.00 12.95 N +ATOM 436 CA LEU A 61 12.784 75.422 13.433 1.00 13.86 C +ATOM 437 C LEU A 61 14.015 75.597 14.323 1.00 13.94 C +ATOM 438 O LEU A 61 15.013 76.171 13.900 1.00 14.10 O +ATOM 439 CB LEU A 61 11.905 76.676 13.577 1.00 13.43 C +ATOM 440 CG LEU A 61 10.642 76.860 12.724 1.00 15.15 C +ATOM 441 CD1 LEU A 61 9.979 78.184 13.108 1.00 16.26 C +ATOM 442 CD2 LEU A 61 10.982 76.859 11.237 1.00 14.96 C +ATOM 443 N SER A 62 13.952 75.107 15.556 1.00 13.51 N +ATOM 444 CA SER A 62 15.069 75.282 16.472 1.00 14.32 C +ATOM 445 C SER A 62 16.455 74.910 15.939 1.00 14.32 C +ATOM 446 O SER A 62 17.423 75.610 16.217 1.00 13.00 O +ATOM 447 CB SER A 62 14.793 74.561 17.803 1.00 13.87 C +ATOM 448 OG SER A 62 14.674 73.160 17.647 1.00 17.08 O +ATOM 449 N PRO A 63 16.577 73.822 15.155 1.00 13.62 N +ATOM 450 CA PRO A 63 17.923 73.498 14.668 1.00 14.83 C +ATOM 451 C PRO A 63 18.430 74.335 13.489 1.00 14.79 C +ATOM 452 O PRO A 63 19.551 74.138 13.038 1.00 14.43 O +ATOM 453 CB PRO A 63 17.823 72.007 14.298 1.00 13.93 C +ATOM 454 CG PRO A 63 16.572 71.528 15.025 1.00 12.62 C +ATOM 455 CD PRO A 63 15.654 72.707 14.889 1.00 12.67 C +ATOM 456 N GLN A 64 17.622 75.251 12.969 1.00 15.95 N +ATOM 457 CA GLN A 64 18.086 76.058 11.843 1.00 16.93 C +ATOM 458 C GLN A 64 18.636 77.339 12.417 1.00 18.10 C +ATOM 459 O GLN A 64 19.261 78.144 11.724 1.00 16.27 O +ATOM 460 CB GLN A 64 16.940 76.406 10.893 1.00 16.53 C +ATOM 461 CG GLN A 64 15.909 75.307 10.684 1.00 15.98 C +ATOM 462 CD GLN A 64 16.517 73.923 10.552 1.00 18.20 C +ATOM 463 OE1 GLN A 64 17.599 73.750 9.979 1.00 15.23 O +ATOM 464 NE2 GLN A 64 15.810 72.920 11.072 1.00 14.20 N +ATOM 465 N PHE A 65 18.396 77.520 13.704 1.00 19.61 N +ATOM 466 CA PHE A 65 18.836 78.727 14.360 1.00 20.75 C +ATOM 467 C PHE A 65 20.210 78.660 14.936 1.00 20.24 C +ATOM 468 O PHE A 65 20.841 79.689 15.158 1.00 23.01 O +ATOM 469 CB PHE A 65 17.818 79.083 15.441 1.00 20.13 C +ATOM 470 CG PHE A 65 16.545 79.655 14.895 1.00 19.11 C +ATOM 471 CD1 PHE A 65 15.319 79.100 15.230 1.00 18.85 C +ATOM 472 CD2 PHE A 65 16.575 80.725 14.003 1.00 19.42 C +ATOM 473 CE1 PHE A 65 14.138 79.597 14.684 1.00 18.04 C +ATOM 474 CE2 PHE A 65 15.396 81.231 13.450 1.00 17.92 C +ATOM 475 CZ PHE A 65 14.178 80.663 13.792 1.00 17.95 C +HETATM 476 N1 CRQ A 68 21.111 77.663 15.282 1.00 22.49 N +HETATM 477 CA1 CRQ A 68 21.193 76.485 15.794 1.00 18.82 C +HETATM 478 CB1 CRQ A 68 20.846 76.240 17.262 1.00 18.74 C +HETATM 479 CG1 CRQ A 68 21.261 77.373 18.211 1.00 17.41 C +HETATM 480 C1 CRQ A 68 21.644 75.387 14.985 1.00 18.03 C +HETATM 481 N2 CRQ A 68 21.523 74.122 15.417 1.00 16.95 N +HETATM 482 N3 CRQ A 68 22.242 75.441 13.699 1.00 18.53 N +HETATM 483 C2 CRQ A 68 22.514 74.104 13.302 1.00 17.50 C +HETATM 484 O2 CRQ A 68 23.040 73.749 12.225 1.00 17.41 O +HETATM 485 CA2 CRQ A 68 22.026 73.298 14.444 1.00 18.92 C +HETATM 486 CA3 CRQ A 68 22.527 76.672 12.846 1.00 20.31 C +HETATM 487 CB2 CRQ A 68 22.108 71.878 14.459 1.00 16.48 C +HETATM 488 CG2 CRQ A 68 21.689 70.912 15.405 1.00 16.48 C +HETATM 489 CD1 CRQ A 68 20.976 71.188 16.667 1.00 18.22 C +HETATM 490 CD2 CRQ A 68 21.976 69.503 15.113 1.00 17.58 C +HETATM 491 CE1 CRQ A 68 20.602 70.159 17.540 1.00 17.26 C +HETATM 492 CE2 CRQ A 68 21.607 68.480 15.978 1.00 17.64 C +HETATM 493 CZ CRQ A 68 20.902 68.743 17.243 1.00 17.66 C +HETATM 494 OH CRQ A 68 20.578 67.814 18.019 1.00 15.60 O +HETATM 495 OE1 CRQ A 68 19.921 76.763 20.062 1.00 17.97 O +HETATM 496 C3 CRQ A 68 23.220 77.995 13.318 1.00 24.20 C +HETATM 497 O3 CRQ A 68 23.850 78.508 12.398 1.00 23.78 O +HETATM 498 CD3 CRQ A 68 20.985 77.267 19.704 1.00 17.29 C +HETATM 499 NE1 CRQ A 68 21.893 77.751 20.588 1.00 17.53 N +ATOM 500 N SER A 69 23.801 77.606 14.462 1.00 25.73 N +ATOM 501 CA SER A 69 25.253 77.547 14.775 1.00 24.29 C +ATOM 502 C SER A 69 26.527 76.669 14.758 1.00 24.14 C +ATOM 503 O SER A 69 27.294 76.855 15.692 1.00 20.91 O +ATOM 504 CB SER A 69 25.347 78.179 16.172 1.00 25.63 C +ATOM 505 OG SER A 69 25.487 79.582 16.049 1.00 25.37 O +ATOM 506 N LYS A 70 26.860 75.829 13.810 1.00 23.16 N +ATOM 507 CA LYS A 70 28.113 75.054 14.031 1.00 23.23 C +ATOM 508 C LYS A 70 29.517 75.694 14.123 1.00 21.46 C +ATOM 509 O LYS A 70 30.502 74.955 14.195 1.00 21.04 O +ATOM 510 CB LYS A 70 28.227 73.903 13.040 1.00 24.36 C +ATOM 511 CG LYS A 70 26.913 73.307 12.599 1.00 27.26 C +ATOM 512 CD LYS A 70 25.964 72.930 13.723 1.00 29.60 C +ATOM 513 CE LYS A 70 26.376 71.669 14.460 1.00 32.15 C +ATOM 514 NZ LYS A 70 25.298 71.245 15.406 1.00 33.13 N +ATOM 515 N VAL A 71 29.650 77.019 14.070 1.00 19.69 N +ATOM 516 CA VAL A 71 30.979 77.626 14.191 1.00 16.86 C +ATOM 517 C VAL A 71 31.293 77.542 15.680 1.00 16.45 C +ATOM 518 O VAL A 71 32.440 77.668 16.101 1.00 17.35 O +ATOM 519 CB VAL A 71 30.987 79.114 13.768 1.00 16.86 C +ATOM 520 CG1 VAL A 71 30.184 79.944 14.762 1.00 13.90 C +ATOM 521 CG2 VAL A 71 32.419 79.621 13.690 1.00 13.26 C +ATOM 522 N TYR A 72 30.249 77.311 16.475 1.00 16.17 N +ATOM 523 CA TYR A 72 30.396 77.192 17.922 1.00 17.70 C +ATOM 524 C TYR A 72 30.656 75.766 18.393 1.00 17.81 C +ATOM 525 O TYR A 72 30.598 75.493 19.592 1.00 19.31 O +ATOM 526 CB TYR A 72 29.150 77.704 18.642 1.00 18.49 C +ATOM 527 CG TYR A 72 28.960 79.199 18.585 1.00 20.01 C +ATOM 528 CD1 TYR A 72 28.359 79.806 17.483 1.00 18.84 C +ATOM 529 CD2 TYR A 72 29.361 80.009 19.647 1.00 20.49 C +ATOM 530 CE1 TYR A 72 28.157 81.183 17.445 1.00 20.29 C +ATOM 531 CE2 TYR A 72 29.168 81.383 19.616 1.00 21.75 C +ATOM 532 CZ TYR A 72 28.565 81.963 18.516 1.00 20.13 C +ATOM 533 OH TYR A 72 28.361 83.320 18.497 1.00 20.06 O +ATOM 534 N VAL A 73 30.928 74.855 17.464 1.00 17.59 N +ATOM 535 CA VAL A 73 31.190 73.466 17.842 1.00 16.28 C +ATOM 536 C VAL A 73 32.627 73.271 18.316 1.00 16.76 C +ATOM 537 O VAL A 73 33.574 73.571 17.593 1.00 14.33 O +ATOM 538 CB VAL A 73 30.943 72.491 16.671 1.00 16.39 C +ATOM 539 CG1 VAL A 73 31.285 71.064 17.104 1.00 16.71 C +ATOM 540 CG2 VAL A 73 29.494 72.563 16.221 1.00 15.34 C +ATOM 541 N LYS A 74 32.783 72.762 19.532 1.00 16.07 N +ATOM 542 CA LYS A 74 34.114 72.521 20.086 1.00 18.52 C +ATOM 543 C LYS A 74 34.786 71.385 19.316 1.00 19.15 C +ATOM 544 O LYS A 74 34.195 70.324 19.125 1.00 18.06 O +ATOM 545 CB LYS A 74 34.003 72.148 21.565 1.00 18.04 C +ATOM 546 CG LYS A 74 35.327 71.858 22.262 1.00 16.27 C +ATOM 547 CD LYS A 74 35.077 71.501 23.716 1.00 19.83 C +ATOM 548 CE LYS A 74 36.368 71.208 24.454 1.00 22.84 C +ATOM 549 NZ LYS A 74 36.094 70.770 25.851 1.00 24.31 N +ATOM 550 N HIS A 75 36.018 71.613 18.871 1.00 19.90 N +ATOM 551 CA HIS A 75 36.754 70.597 18.126 1.00 20.10 C +ATOM 552 C HIS A 75 38.092 70.262 18.760 1.00 21.20 C +ATOM 553 O HIS A 75 38.778 71.142 19.279 1.00 20.60 O +ATOM 554 CB HIS A 75 37.025 71.056 16.690 1.00 20.31 C +ATOM 555 CG HIS A 75 35.842 70.946 15.779 1.00 20.33 C +ATOM 556 ND1 HIS A 75 34.760 71.794 15.857 1.00 18.92 N +ATOM 557 CD2 HIS A 75 35.576 70.086 14.768 1.00 19.96 C +ATOM 558 CE1 HIS A 75 33.877 71.463 14.930 1.00 20.38 C +ATOM 559 NE2 HIS A 75 34.348 70.430 14.256 1.00 20.09 N +ATOM 560 N PRO A 76 38.472 68.976 18.746 1.00 22.56 N +ATOM 561 CA PRO A 76 39.758 68.579 19.321 1.00 22.88 C +ATOM 562 C PRO A 76 40.823 69.225 18.435 1.00 22.51 C +ATOM 563 O PRO A 76 40.526 69.643 17.314 1.00 20.74 O +ATOM 564 CB PRO A 76 39.744 67.057 19.182 1.00 23.89 C +ATOM 565 CG PRO A 76 38.290 66.725 19.274 1.00 24.82 C +ATOM 566 CD PRO A 76 37.662 67.793 18.409 1.00 23.48 C +ATOM 567 N ALA A 77 42.056 69.307 18.918 1.00 23.10 N +ATOM 568 CA ALA A 77 43.118 69.923 18.135 1.00 22.89 C +ATOM 569 C ALA A 77 43.466 69.153 16.861 1.00 21.84 C +ATOM 570 O ALA A 77 43.872 69.754 15.869 1.00 22.46 O +ATOM 571 CB ALA A 77 44.366 70.097 18.996 1.00 24.72 C +ATOM 572 N ASP A 78 43.291 67.834 16.874 1.00 21.24 N +ATOM 573 CA ASP A 78 43.627 67.021 15.704 1.00 20.76 C +ATOM 574 C ASP A 78 42.543 66.912 14.628 1.00 20.12 C +ATOM 575 O ASP A 78 42.742 66.248 13.612 1.00 19.53 O +ATOM 576 CB ASP A 78 44.053 65.610 16.133 1.00 21.14 C +ATOM 577 CG ASP A 78 42.958 64.862 16.871 1.00 23.49 C +ATOM 578 OD1 ASP A 78 42.154 65.509 17.575 1.00 24.79 O +ATOM 579 OD2 ASP A 78 42.910 63.618 16.757 1.00 26.17 O +ATOM 580 N ILE A 79 41.399 67.551 14.845 1.00 19.26 N +ATOM 581 CA ILE A 79 40.326 67.523 13.853 1.00 18.33 C +ATOM 582 C ILE A 79 40.141 68.945 13.323 1.00 18.42 C +ATOM 583 O ILE A 79 39.680 69.829 14.048 1.00 18.72 O +ATOM 584 CB ILE A 79 38.980 67.042 14.458 1.00 16.69 C +ATOM 585 CG1 ILE A 79 39.112 65.601 14.962 1.00 17.96 C +ATOM 586 CG2 ILE A 79 37.877 67.119 13.397 1.00 16.62 C +ATOM 587 CD1 ILE A 79 37.857 65.062 15.640 1.00 14.36 C +ATOM 588 N PRO A 80 40.515 69.188 12.056 1.00 19.47 N +ATOM 589 CA PRO A 80 40.362 70.533 11.492 1.00 20.75 C +ATOM 590 C PRO A 80 38.963 71.110 11.654 1.00 20.96 C +ATOM 591 O PRO A 80 37.958 70.470 11.321 1.00 20.72 O +ATOM 592 CB PRO A 80 40.775 70.358 10.025 1.00 21.70 C +ATOM 593 CG PRO A 80 40.677 68.884 9.781 1.00 23.41 C +ATOM 594 CD PRO A 80 41.115 68.270 11.076 1.00 20.25 C +ATOM 595 N ASP A 81 38.913 72.322 12.192 1.00 19.95 N +ATOM 596 CA ASP A 81 37.656 73.009 12.420 1.00 19.59 C +ATOM 597 C ASP A 81 37.320 73.806 11.166 1.00 19.34 C +ATOM 598 O ASP A 81 37.523 75.020 11.107 1.00 16.54 O +ATOM 599 CB ASP A 81 37.774 73.945 13.625 1.00 18.96 C +ATOM 600 CG ASP A 81 36.431 74.241 14.261 1.00 18.54 C +ATOM 601 OD1 ASP A 81 35.479 74.568 13.514 1.00 16.11 O +ATOM 602 OD2 ASP A 81 36.329 74.145 15.505 1.00 16.07 O +ATOM 603 N TYR A 82 36.818 73.089 10.165 1.00 17.36 N +ATOM 604 CA TYR A 82 36.430 73.647 8.878 1.00 17.22 C +ATOM 605 C TYR A 82 35.650 74.965 8.974 1.00 16.70 C +ATOM 606 O TYR A 82 35.988 75.946 8.313 1.00 16.44 O +ATOM 607 CB TYR A 82 35.593 72.603 8.131 1.00 17.68 C +ATOM 608 CG TYR A 82 35.192 72.987 6.726 1.00 19.94 C +ATOM 609 CD1 TYR A 82 36.134 73.039 5.699 1.00 20.27 C +ATOM 610 CD2 TYR A 82 33.860 73.266 6.416 1.00 20.13 C +ATOM 611 CE1 TYR A 82 35.757 73.355 4.390 1.00 19.62 C +ATOM 612 CE2 TYR A 82 33.472 73.582 5.114 1.00 18.76 C +ATOM 613 CZ TYR A 82 34.423 73.622 4.107 1.00 20.61 C +ATOM 614 OH TYR A 82 34.034 73.917 2.819 1.00 18.50 O +ATOM 615 N LYS A 83 34.607 74.990 9.795 1.00 15.84 N +ATOM 616 CA LYS A 83 33.795 76.196 9.922 1.00 15.98 C +ATOM 617 C LYS A 83 34.520 77.392 10.534 1.00 16.39 C +ATOM 618 O LYS A 83 34.408 78.510 10.024 1.00 14.55 O +ATOM 619 CB LYS A 83 32.510 75.869 10.684 1.00 16.57 C +ATOM 620 CG LYS A 83 31.611 74.957 9.859 1.00 17.82 C +ATOM 621 CD LYS A 83 30.344 74.543 10.580 1.00 18.22 C +ATOM 622 CE LYS A 83 30.322 73.044 10.788 1.00 21.13 C +ATOM 623 NZ LYS A 83 31.266 72.659 11.867 1.00 21.82 N +ATOM 624 N LYS A 84 35.269 77.176 11.609 1.00 16.18 N +ATOM 625 CA LYS A 84 36.001 78.285 12.212 1.00 15.63 C +ATOM 626 C LYS A 84 37.018 78.815 11.197 1.00 16.99 C +ATOM 627 O LYS A 84 37.143 80.027 10.999 1.00 13.74 O +ATOM 628 CB LYS A 84 36.717 77.839 13.492 1.00 15.94 C +ATOM 629 CG LYS A 84 35.797 77.629 14.685 1.00 16.70 C +ATOM 630 CD LYS A 84 36.591 77.472 15.980 1.00 15.87 C +ATOM 631 CE LYS A 84 35.658 77.296 17.178 1.00 14.53 C +ATOM 632 NZ LYS A 84 34.786 76.092 17.040 1.00 12.99 N +ATOM 633 N LEU A 85 37.724 77.895 10.542 1.00 15.39 N +ATOM 634 CA LEU A 85 38.731 78.248 9.545 1.00 17.74 C +ATOM 635 C LEU A 85 38.195 79.092 8.389 1.00 17.11 C +ATOM 636 O LEU A 85 38.938 79.867 7.790 1.00 18.52 O +ATOM 637 CB LEU A 85 39.366 76.978 8.967 1.00 16.84 C +ATOM 638 CG LEU A 85 40.180 76.077 9.899 1.00 19.87 C +ATOM 639 CD1 LEU A 85 40.438 74.750 9.206 1.00 18.23 C +ATOM 640 CD2 LEU A 85 41.497 76.758 10.272 1.00 20.25 C +ATOM 641 N SER A 86 36.909 78.949 8.078 1.00 18.41 N +ATOM 642 CA SER A 86 36.301 79.681 6.966 1.00 18.67 C +ATOM 643 C SER A 86 36.219 81.192 7.154 1.00 19.77 C +ATOM 644 O SER A 86 36.109 81.936 6.177 1.00 18.30 O +ATOM 645 CB SER A 86 34.894 79.143 6.681 1.00 19.47 C +ATOM 646 OG SER A 86 33.982 79.522 7.701 1.00 18.05 O +ATOM 647 N PHE A 87 36.263 81.646 8.400 1.00 18.42 N +ATOM 648 CA PHE A 87 36.181 83.073 8.678 1.00 19.66 C +ATOM 649 C PHE A 87 37.524 83.772 8.504 1.00 21.28 C +ATOM 650 O PHE A 87 38.572 83.129 8.536 1.00 21.56 O +ATOM 651 CB PHE A 87 35.629 83.296 10.086 1.00 17.68 C +ATOM 652 CG PHE A 87 34.189 82.902 10.226 1.00 18.02 C +ATOM 653 CD1 PHE A 87 33.837 81.586 10.512 1.00 18.51 C +ATOM 654 CD2 PHE A 87 33.180 83.835 9.998 1.00 16.83 C +ATOM 655 CE1 PHE A 87 32.496 81.197 10.568 1.00 18.74 C +ATOM 656 CE2 PHE A 87 31.839 83.461 10.048 1.00 19.30 C +ATOM 657 CZ PHE A 87 31.494 82.138 10.334 1.00 19.32 C +ATOM 658 N PRO A 88 37.515 85.107 8.332 1.00 21.88 N +ATOM 659 CA PRO A 88 36.379 86.040 8.294 1.00 21.89 C +ATOM 660 C PRO A 88 35.317 85.878 7.196 1.00 23.13 C +ATOM 661 O PRO A 88 34.157 86.247 7.405 1.00 23.09 O +ATOM 662 CB PRO A 88 37.065 87.404 8.226 1.00 22.07 C +ATOM 663 CG PRO A 88 38.284 87.108 7.417 1.00 21.09 C +ATOM 664 CD PRO A 88 38.775 85.818 8.049 1.00 21.37 C +ATOM 665 N GLU A 89 35.696 85.342 6.037 1.00 23.06 N +ATOM 666 CA GLU A 89 34.735 85.172 4.944 1.00 23.66 C +ATOM 667 C GLU A 89 33.476 84.450 5.413 1.00 21.95 C +ATOM 668 O GLU A 89 32.359 84.927 5.206 1.00 22.99 O +ATOM 669 CB GLU A 89 35.356 84.391 3.782 1.00 25.47 C +ATOM 670 CG GLU A 89 36.481 85.099 3.047 1.00 29.39 C +ATOM 671 CD GLU A 89 37.706 85.313 3.913 1.00 32.09 C +ATOM 672 OE1 GLU A 89 37.973 84.463 4.792 1.00 33.30 O +ATOM 673 OE2 GLU A 89 38.410 86.323 3.703 1.00 34.73 O +ATOM 674 N GLY A 90 33.659 83.292 6.037 1.00 19.50 N +ATOM 675 CA GLY A 90 32.519 82.541 6.525 1.00 17.66 C +ATOM 676 C GLY A 90 32.141 81.362 5.648 1.00 17.04 C +ATOM 677 O GLY A 90 32.912 80.925 4.788 1.00 14.80 O +ATOM 678 N PHE A 91 30.937 80.845 5.861 1.00 15.51 N +ATOM 679 CA PHE A 91 30.476 79.702 5.093 1.00 15.49 C +ATOM 680 C PHE A 91 28.966 79.715 4.939 1.00 13.86 C +ATOM 681 O PHE A 91 28.272 80.517 5.557 1.00 14.50 O +ATOM 682 CB PHE A 91 30.914 78.409 5.791 1.00 14.19 C +ATOM 683 CG PHE A 91 30.222 78.162 7.107 1.00 15.30 C +ATOM 684 CD1 PHE A 91 30.615 78.848 8.257 1.00 16.09 C +ATOM 685 CD2 PHE A 91 29.161 77.259 7.195 1.00 14.11 C +ATOM 686 CE1 PHE A 91 29.957 78.639 9.478 1.00 14.58 C +ATOM 687 CE2 PHE A 91 28.497 77.042 8.410 1.00 12.55 C +ATOM 688 CZ PHE A 91 28.896 77.734 9.550 1.00 15.11 C +ATOM 689 N LYS A 92 28.469 78.834 4.084 1.00 14.88 N +ATOM 690 CA LYS A 92 27.041 78.696 3.865 1.00 13.55 C +ATOM 691 C LYS A 92 26.728 77.258 4.227 1.00 14.51 C +ATOM 692 O LYS A 92 27.603 76.393 4.156 1.00 12.52 O +ATOM 693 CB LYS A 92 26.676 78.889 2.387 1.00 16.58 C +ATOM 694 CG LYS A 92 26.864 80.281 1.810 1.00 16.26 C +ATOM 695 CD LYS A 92 26.289 80.341 0.387 1.00 18.28 C +ATOM 696 CE LYS A 92 26.324 81.757 -0.179 1.00 19.68 C +ATOM 697 NZ LYS A 92 25.524 82.707 0.644 1.00 23.83 N +ATOM 698 N TRP A 93 25.505 76.996 4.664 1.00 13.57 N +ATOM 699 CA TRP A 93 25.134 75.616 4.909 1.00 12.44 C +ATOM 700 C TRP A 93 23.732 75.427 4.363 1.00 13.56 C +ATOM 701 O TRP A 93 22.926 76.367 4.333 1.00 11.36 O +ATOM 702 CB TRP A 93 25.244 75.205 6.401 1.00 12.84 C +ATOM 703 CG TRP A 93 24.360 75.905 7.403 1.00 12.67 C +ATOM 704 CD1 TRP A 93 24.706 76.956 8.209 1.00 14.65 C +ATOM 705 CD2 TRP A 93 22.998 75.581 7.733 1.00 13.00 C +ATOM 706 NE1 TRP A 93 23.649 77.304 9.018 1.00 12.68 N +ATOM 707 CE2 TRP A 93 22.588 76.480 8.746 1.00 13.26 C +ATOM 708 CE3 TRP A 93 22.086 74.623 7.269 1.00 11.37 C +ATOM 709 CZ2 TRP A 93 21.301 76.448 9.304 1.00 14.09 C +ATOM 710 CZ3 TRP A 93 20.808 74.590 7.820 1.00 10.63 C +ATOM 711 CH2 TRP A 93 20.426 75.500 8.829 1.00 12.95 C +ATOM 712 N GLU A 94 23.468 74.229 3.859 1.00 14.03 N +ATOM 713 CA GLU A 94 22.157 73.909 3.318 1.00 15.10 C +ATOM 714 C GLU A 94 21.755 72.597 3.965 1.00 14.31 C +ATOM 715 O GLU A 94 22.601 71.882 4.505 1.00 13.99 O +ATOM 716 CB GLU A 94 22.204 73.819 1.784 1.00 15.51 C +ATOM 717 CG GLU A 94 22.560 75.175 1.142 1.00 17.80 C +ATOM 718 CD GLU A 94 22.355 75.222 -0.363 1.00 20.75 C +ATOM 719 OE1 GLU A 94 22.779 74.272 -1.051 1.00 17.30 O +ATOM 720 OE2 GLU A 94 21.779 76.223 -0.861 1.00 19.82 O +ATOM 721 N ARG A 95 20.474 72.270 3.922 1.00 14.73 N +ATOM 722 CA ARG A 95 20.034 71.063 4.596 1.00 13.16 C +ATOM 723 C ARG A 95 18.697 70.526 4.118 1.00 13.97 C +ATOM 724 O ARG A 95 17.850 71.267 3.612 1.00 13.41 O +ATOM 725 CB ARG A 95 19.974 71.360 6.104 1.00 12.21 C +ATOM 726 CG ARG A 95 19.165 70.383 6.964 1.00 12.90 C +ATOM 727 CD ARG A 95 19.141 70.875 8.414 1.00 10.08 C +ATOM 728 NE ARG A 95 20.480 70.865 8.998 1.00 10.36 N +ATOM 729 CZ ARG A 95 20.848 71.584 10.055 1.00 12.73 C +ATOM 730 NH1 ARG A 95 19.979 72.385 10.658 1.00 13.01 N +ATOM 731 NH2 ARG A 95 22.090 71.502 10.513 1.00 11.72 N +ATOM 732 N VAL A 96 18.535 69.217 4.286 1.00 12.76 N +ATOM 733 CA VAL A 96 17.313 68.513 3.940 1.00 11.95 C +ATOM 734 C VAL A 96 16.868 67.804 5.211 1.00 12.67 C +ATOM 735 O VAL A 96 17.679 67.164 5.881 1.00 12.60 O +ATOM 736 CB VAL A 96 17.553 67.411 2.865 1.00 12.19 C +ATOM 737 CG1 VAL A 96 16.267 66.650 2.607 1.00 13.01 C +ATOM 738 CG2 VAL A 96 18.067 68.027 1.580 1.00 13.14 C +ATOM 739 N MET A 97 15.593 67.930 5.559 1.00 13.66 N +ATOM 740 CA MET A 97 15.063 67.234 6.722 1.00 12.99 C +ATOM 741 C MET A 97 13.941 66.360 6.185 1.00 13.01 C +ATOM 742 O MET A 97 12.951 66.870 5.655 1.00 12.50 O +ATOM 743 CB MET A 97 14.509 68.208 7.775 1.00 12.46 C +ATOM 744 CG MET A 97 15.570 68.933 8.615 1.00 12.98 C +ATOM 745 SD MET A 97 14.850 69.759 10.072 1.00 15.97 S +ATOM 746 CE MET A 97 13.929 71.062 9.283 1.00 14.68 C +ATOM 747 N ASN A 98 14.111 65.045 6.273 1.00 13.17 N +ATOM 748 CA ASN A 98 13.075 64.138 5.796 1.00 13.97 C +ATOM 749 C ASN A 98 12.359 63.572 7.012 1.00 13.01 C +ATOM 750 O ASN A 98 12.942 62.812 7.782 1.00 11.52 O +ATOM 751 CB ASN A 98 13.668 62.986 4.970 1.00 13.50 C +ATOM 752 CG ASN A 98 14.318 63.457 3.671 1.00 15.56 C +ATOM 753 OD1 ASN A 98 13.710 64.181 2.872 1.00 14.20 O +ATOM 754 ND2 ASN A 98 15.557 63.035 3.451 1.00 16.32 N +ATOM 755 N PHE A 99 11.098 63.953 7.189 1.00 12.54 N +ATOM 756 CA PHE A 99 10.313 63.473 8.322 1.00 11.85 C +ATOM 757 C PHE A 99 9.653 62.151 7.946 1.00 11.19 C +ATOM 758 O PHE A 99 9.268 61.950 6.798 1.00 12.57 O +ATOM 759 CB PHE A 99 9.261 64.517 8.716 1.00 11.70 C +ATOM 760 CG PHE A 99 9.850 65.820 9.200 1.00 12.04 C +ATOM 761 CD1 PHE A 99 10.400 66.731 8.304 1.00 12.53 C +ATOM 762 CD2 PHE A 99 9.858 66.131 10.555 1.00 12.05 C +ATOM 763 CE1 PHE A 99 10.954 67.945 8.754 1.00 13.41 C +ATOM 764 CE2 PHE A 99 10.407 67.335 11.014 1.00 13.93 C +ATOM 765 CZ PHE A 99 10.957 68.244 10.106 1.00 13.10 C +ATOM 766 N GLU A 100 9.521 61.250 8.911 1.00 13.06 N +ATOM 767 CA GLU A 100 8.945 59.939 8.637 1.00 11.15 C +ATOM 768 C GLU A 100 7.521 59.927 8.105 1.00 12.70 C +ATOM 769 O GLU A 100 7.086 58.922 7.537 1.00 11.14 O +ATOM 770 CB GLU A 100 9.033 59.041 9.874 1.00 11.59 C +ATOM 771 CG GLU A 100 8.332 59.566 11.115 1.00 11.45 C +ATOM 772 CD GLU A 100 8.236 58.506 12.201 1.00 14.47 C +ATOM 773 OE1 GLU A 100 8.016 57.324 11.860 1.00 14.77 O +ATOM 774 OE2 GLU A 100 8.367 58.851 13.392 1.00 15.30 O +ATOM 775 N ASP A 101 6.782 61.020 8.280 1.00 9.15 N +ATOM 776 CA ASP A 101 5.418 61.033 7.771 1.00 12.61 C +ATOM 777 C ASP A 101 5.264 61.804 6.461 1.00 10.95 C +ATOM 778 O ASP A 101 4.173 62.229 6.110 1.00 11.37 O +ATOM 779 CB ASP A 101 4.434 61.553 8.833 1.00 13.37 C +ATOM 780 CG ASP A 101 4.700 62.982 9.236 1.00 14.53 C +ATOM 781 OD1 ASP A 101 5.756 63.530 8.850 1.00 13.70 O +ATOM 782 OD2 ASP A 101 3.845 63.554 9.952 1.00 14.78 O +ATOM 783 N GLY A 102 6.364 61.964 5.732 1.00 12.67 N +ATOM 784 CA GLY A 102 6.298 62.647 4.450 1.00 13.42 C +ATOM 785 C GLY A 102 6.750 64.093 4.397 1.00 14.72 C +ATOM 786 O GLY A 102 7.070 64.600 3.318 1.00 13.89 O +ATOM 787 N GLY A 103 6.767 64.769 5.542 1.00 13.80 N +ATOM 788 CA GLY A 103 7.195 66.158 5.557 1.00 11.87 C +ATOM 789 C GLY A 103 8.628 66.316 5.088 1.00 11.89 C +ATOM 790 O GLY A 103 9.501 65.535 5.465 1.00 13.17 O +ATOM 791 N VAL A 104 8.873 67.320 4.250 1.00 8.86 N +ATOM 792 CA VAL A 104 10.212 67.582 3.745 1.00 10.35 C +ATOM 793 C VAL A 104 10.488 69.070 3.803 1.00 11.81 C +ATOM 794 O VAL A 104 9.621 69.885 3.481 1.00 10.83 O +ATOM 795 CB VAL A 104 10.380 67.124 2.282 1.00 11.94 C +ATOM 796 CG1 VAL A 104 11.809 67.371 1.823 1.00 11.53 C +ATOM 797 CG2 VAL A 104 10.029 65.658 2.156 1.00 11.41 C +ATOM 798 N VAL A 105 11.700 69.411 4.221 1.00 11.57 N +ATOM 799 CA VAL A 105 12.136 70.795 4.327 1.00 11.56 C +ATOM 800 C VAL A 105 13.537 70.959 3.759 1.00 12.82 C +ATOM 801 O VAL A 105 14.394 70.095 3.953 1.00 13.51 O +ATOM 802 CB VAL A 105 12.233 71.257 5.805 1.00 12.40 C +ATOM 803 CG1 VAL A 105 12.832 72.673 5.870 1.00 11.48 C +ATOM 804 CG2 VAL A 105 10.878 71.215 6.466 1.00 10.07 C +ATOM 805 N THR A 106 13.764 72.047 3.031 1.00 10.52 N +ATOM 806 CA THR A 106 15.103 72.339 2.559 1.00 11.31 C +ATOM 807 C THR A 106 15.426 73.690 3.178 1.00 12.34 C +ATOM 808 O THR A 106 14.545 74.544 3.327 1.00 11.72 O +ATOM 809 CB THR A 106 15.223 72.412 1.019 1.00 12.54 C +ATOM 810 OG1 THR A 106 14.284 73.355 0.496 1.00 14.21 O +ATOM 811 CG2 THR A 106 14.989 71.041 0.413 1.00 13.77 C +ATOM 812 N VAL A 107 16.680 73.863 3.568 1.00 11.08 N +ATOM 813 CA VAL A 107 17.128 75.098 4.196 1.00 12.97 C +ATOM 814 C VAL A 107 18.414 75.540 3.527 1.00 11.34 C +ATOM 815 O VAL A 107 19.235 74.712 3.147 1.00 10.62 O +ATOM 816 CB VAL A 107 17.450 74.889 5.701 1.00 13.16 C +ATOM 817 CG1 VAL A 107 17.744 76.228 6.369 1.00 10.83 C +ATOM 818 CG2 VAL A 107 16.298 74.194 6.397 1.00 14.72 C +ATOM 819 N THR A 108 18.580 76.847 3.367 1.00 12.29 N +ATOM 820 CA THR A 108 19.804 77.374 2.791 1.00 13.15 C +ATOM 821 C THR A 108 20.172 78.541 3.699 1.00 14.17 C +ATOM 822 O THR A 108 19.330 79.381 4.016 1.00 13.94 O +ATOM 823 CB THR A 108 19.609 77.817 1.328 1.00 12.42 C +ATOM 824 OG1 THR A 108 20.876 78.203 0.784 1.00 13.57 O +ATOM 825 CG2 THR A 108 18.628 78.977 1.231 1.00 13.92 C +ATOM 826 N GLN A 109 21.421 78.571 4.148 1.00 14.23 N +ATOM 827 CA GLN A 109 21.849 79.607 5.075 1.00 15.39 C +ATOM 828 C GLN A 109 23.210 80.204 4.761 1.00 15.92 C +ATOM 829 O GLN A 109 24.078 79.539 4.194 1.00 12.85 O +ATOM 830 CB GLN A 109 21.863 79.028 6.497 1.00 14.18 C +ATOM 831 CG GLN A 109 22.000 80.065 7.605 1.00 16.53 C +ATOM 832 CD GLN A 109 23.418 80.222 8.121 1.00 15.74 C +ATOM 833 OE1 GLN A 109 24.390 80.080 7.378 1.00 14.99 O +ATOM 834 NE2 GLN A 109 23.539 80.545 9.403 1.00 17.10 N +ATOM 835 N ASP A 110 23.384 81.469 5.136 1.00 14.89 N +ATOM 836 CA ASP A 110 24.653 82.152 4.935 1.00 14.93 C +ATOM 837 C ASP A 110 25.149 82.666 6.275 1.00 14.54 C +ATOM 838 O ASP A 110 24.408 83.314 7.019 1.00 14.40 O +ATOM 839 CB ASP A 110 24.510 83.322 3.958 1.00 15.43 C +ATOM 840 CG ASP A 110 25.830 84.038 3.719 1.00 17.44 C +ATOM 841 OD1 ASP A 110 26.289 84.758 4.623 1.00 20.02 O +ATOM 842 OD2 ASP A 110 26.419 83.868 2.632 1.00 20.97 O +ATOM 843 N SER A 111 26.407 82.369 6.576 1.00 14.48 N +ATOM 844 CA SER A 111 27.016 82.794 7.823 1.00 15.86 C +ATOM 845 C SER A 111 28.197 83.689 7.495 1.00 16.05 C +ATOM 846 O SER A 111 29.117 83.292 6.772 1.00 16.03 O +ATOM 847 CB SER A 111 27.487 81.578 8.634 1.00 15.58 C +ATOM 848 OG SER A 111 26.405 80.709 8.940 1.00 15.26 O +ATOM 849 N SER A 112 28.159 84.908 8.014 1.00 17.13 N +ATOM 850 CA SER A 112 29.232 85.859 7.774 1.00 17.58 C +ATOM 851 C SER A 112 29.637 86.507 9.092 1.00 19.10 C +ATOM 852 O SER A 112 29.048 86.220 10.137 1.00 17.22 O +ATOM 853 CB SER A 112 28.774 86.923 6.772 1.00 18.83 C +ATOM 854 OG SER A 112 27.629 87.620 7.236 1.00 22.43 O +ATOM 855 N LEU A 113 30.651 87.366 9.044 1.00 19.83 N +ATOM 856 CA LEU A 113 31.129 88.052 10.242 1.00 22.08 C +ATOM 857 C LEU A 113 31.271 89.546 9.975 1.00 22.08 C +ATOM 858 O LEU A 113 32.034 89.958 9.102 1.00 21.93 O +ATOM 859 CB LEU A 113 32.480 87.476 10.681 1.00 22.89 C +ATOM 860 CG LEU A 113 33.111 88.074 11.945 1.00 24.81 C +ATOM 861 CD1 LEU A 113 32.277 87.725 13.167 1.00 24.16 C +ATOM 862 CD2 LEU A 113 34.517 87.533 12.107 1.00 26.05 C +ATOM 863 N GLN A 114 30.535 90.357 10.727 1.00 24.03 N +ATOM 864 CA GLN A 114 30.590 91.800 10.550 1.00 25.94 C +ATOM 865 C GLN A 114 30.902 92.488 11.869 1.00 26.52 C +ATOM 866 O GLN A 114 30.117 92.428 12.818 1.00 26.10 O +ATOM 867 CB GLN A 114 29.258 92.326 9.998 1.00 27.51 C +ATOM 868 CG GLN A 114 29.296 93.793 9.569 1.00 30.77 C +ATOM 869 CD GLN A 114 27.922 94.349 9.214 1.00 33.01 C +ATOM 870 OE1 GLN A 114 27.216 93.806 8.359 1.00 33.49 O +ATOM 871 NE2 GLN A 114 27.539 95.442 9.870 1.00 33.83 N +ATOM 872 N ASP A 115 32.065 93.128 11.924 1.00 27.38 N +ATOM 873 CA ASP A 115 32.495 93.846 13.115 1.00 27.95 C +ATOM 874 C ASP A 115 32.434 92.999 14.379 1.00 26.17 C +ATOM 875 O ASP A 115 31.839 93.407 15.375 1.00 23.34 O +ATOM 876 CB ASP A 115 31.641 95.102 13.289 1.00 31.90 C +ATOM 877 CG ASP A 115 31.739 96.037 12.098 1.00 36.07 C +ATOM 878 OD1 ASP A 115 32.827 96.614 11.883 1.00 37.16 O +ATOM 879 OD2 ASP A 115 30.732 96.186 11.371 1.00 39.29 O +ATOM 880 N GLY A 116 33.045 91.820 14.327 1.00 23.94 N +ATOM 881 CA GLY A 116 33.075 90.940 15.485 1.00 24.32 C +ATOM 882 C GLY A 116 31.784 90.226 15.855 1.00 23.99 C +ATOM 883 O GLY A 116 31.718 89.559 16.888 1.00 24.06 O +ATOM 884 N CYS A 117 30.761 90.349 15.016 1.00 22.42 N +ATOM 885 CA CYS A 117 29.479 89.708 15.281 1.00 21.51 C +ATOM 886 C CYS A 117 29.061 88.828 14.103 1.00 21.25 C +ATOM 887 O CYS A 117 29.040 89.287 12.959 1.00 20.09 O +ATOM 888 CB CYS A 117 28.415 90.783 15.530 1.00 23.63 C +ATOM 889 SG CYS A 117 26.753 90.165 15.867 1.00 28.42 S +ATOM 890 N PHE A 118 28.741 87.565 14.380 1.00 19.35 N +ATOM 891 CA PHE A 118 28.307 86.646 13.330 1.00 17.60 C +ATOM 892 C PHE A 118 26.928 87.066 12.829 1.00 16.52 C +ATOM 893 O PHE A 118 26.083 87.505 13.610 1.00 15.82 O +ATOM 894 CB PHE A 118 28.225 85.207 13.861 1.00 17.61 C +ATOM 895 CG PHE A 118 29.563 84.569 14.127 1.00 14.95 C +ATOM 896 CD1 PHE A 118 30.506 84.447 13.113 1.00 15.12 C +ATOM 897 CD2 PHE A 118 29.874 84.075 15.393 1.00 14.21 C +ATOM 898 CE1 PHE A 118 31.743 83.841 13.350 1.00 14.19 C +ATOM 899 CE2 PHE A 118 31.106 83.467 15.643 1.00 15.31 C +ATOM 900 CZ PHE A 118 32.042 83.350 14.617 1.00 13.44 C +ATOM 901 N ILE A 119 26.706 86.928 11.527 1.00 16.16 N +ATOM 902 CA ILE A 119 25.427 87.278 10.919 1.00 15.82 C +ATOM 903 C ILE A 119 24.867 86.052 10.204 1.00 15.92 C +ATOM 904 O ILE A 119 25.515 85.494 9.323 1.00 17.72 O +ATOM 905 CB ILE A 119 25.590 88.424 9.899 1.00 16.24 C +ATOM 906 CG1 ILE A 119 26.115 89.679 10.604 1.00 16.30 C +ATOM 907 CG2 ILE A 119 24.264 88.704 9.210 1.00 15.96 C +ATOM 908 CD1 ILE A 119 25.133 90.327 11.561 1.00 18.87 C +ATOM 909 N TYR A 120 23.662 85.638 10.585 1.00 16.21 N +ATOM 910 CA TYR A 120 23.034 84.468 9.977 1.00 16.35 C +ATOM 911 C TYR A 120 21.781 84.851 9.192 1.00 15.44 C +ATOM 912 O TYR A 120 20.922 85.563 9.702 1.00 16.52 O +ATOM 913 CB TYR A 120 22.627 83.454 11.055 1.00 14.63 C +ATOM 914 CG TYR A 120 23.743 82.921 11.931 1.00 15.96 C +ATOM 915 CD1 TYR A 120 25.083 83.022 11.553 1.00 15.07 C +ATOM 916 CD2 TYR A 120 23.445 82.277 13.134 1.00 15.16 C +ATOM 917 CE1 TYR A 120 26.099 82.491 12.357 1.00 14.15 C +ATOM 918 CE2 TYR A 120 24.447 81.746 13.938 1.00 15.77 C +ATOM 919 CZ TYR A 120 25.766 81.854 13.547 1.00 15.38 C +ATOM 920 OH TYR A 120 26.734 81.311 14.355 1.00 17.66 O +ATOM 921 N LYS A 121 21.682 84.365 7.957 1.00 15.06 N +ATOM 922 CA LYS A 121 20.524 84.621 7.102 1.00 14.95 C +ATOM 923 C LYS A 121 20.026 83.253 6.663 1.00 14.85 C +ATOM 924 O LYS A 121 20.766 82.495 6.039 1.00 15.96 O +ATOM 925 CB LYS A 121 20.931 85.456 5.882 1.00 16.51 C +ATOM 926 CG LYS A 121 21.554 86.792 6.259 1.00 20.43 C +ATOM 927 CD LYS A 121 22.147 87.511 5.059 1.00 22.27 C +ATOM 928 CE LYS A 121 23.019 88.677 5.505 1.00 24.78 C +ATOM 929 NZ LYS A 121 23.591 89.417 4.342 1.00 26.33 N +ATOM 930 N VAL A 122 18.778 82.937 6.993 1.00 14.74 N +ATOM 931 CA VAL A 122 18.213 81.635 6.656 1.00 14.70 C +ATOM 932 C VAL A 122 16.932 81.699 5.832 1.00 15.39 C +ATOM 933 O VAL A 122 16.072 82.541 6.074 1.00 15.47 O +ATOM 934 CB VAL A 122 17.874 80.834 7.936 1.00 15.97 C +ATOM 935 CG1 VAL A 122 17.751 79.359 7.608 1.00 16.19 C +ATOM 936 CG2 VAL A 122 18.917 81.080 9.008 1.00 14.20 C +ATOM 937 N LYS A 123 16.822 80.798 4.857 1.00 14.12 N +ATOM 938 CA LYS A 123 15.630 80.671 4.022 1.00 14.66 C +ATOM 939 C LYS A 123 15.171 79.237 4.275 1.00 13.26 C +ATOM 940 O LYS A 123 15.954 78.291 4.152 1.00 12.30 O +ATOM 941 CB LYS A 123 15.948 80.890 2.540 1.00 16.67 C +ATOM 942 CG LYS A 123 16.112 82.355 2.161 1.00 22.36 C +ATOM 943 CD LYS A 123 15.996 82.547 0.658 1.00 21.85 C +ATOM 944 CE LYS A 123 15.923 84.016 0.282 1.00 25.36 C +ATOM 945 NZ LYS A 123 17.222 84.720 0.453 1.00 26.80 N +ATOM 946 N PHE A 124 13.898 79.082 4.620 1.00 11.11 N +ATOM 947 CA PHE A 124 13.344 77.783 4.991 1.00 12.37 C +ATOM 948 C PHE A 124 12.050 77.456 4.239 1.00 12.78 C +ATOM 949 O PHE A 124 11.150 78.293 4.152 1.00 13.99 O +ATOM 950 CB PHE A 124 13.104 77.839 6.511 1.00 10.80 C +ATOM 951 CG PHE A 124 12.573 76.575 7.128 1.00 12.75 C +ATOM 952 CD1 PHE A 124 11.225 76.240 7.021 1.00 11.65 C +ATOM 953 CD2 PHE A 124 13.403 75.776 7.911 1.00 11.59 C +ATOM 954 CE1 PHE A 124 10.702 75.130 7.697 1.00 12.06 C +ATOM 955 CE2 PHE A 124 12.894 74.665 8.593 1.00 11.69 C +ATOM 956 CZ PHE A 124 11.537 74.344 8.485 1.00 12.84 C +ATOM 957 N ILE A 125 11.963 76.250 3.681 1.00 11.80 N +ATOM 958 CA ILE A 125 10.752 75.835 2.979 1.00 12.55 C +ATOM 959 C ILE A 125 10.327 74.424 3.371 1.00 14.24 C +ATOM 960 O ILE A 125 10.969 73.438 2.994 1.00 13.79 O +ATOM 961 CB ILE A 125 10.913 75.901 1.439 1.00 13.52 C +ATOM 962 CG1 ILE A 125 11.083 77.357 0.999 1.00 11.88 C +ATOM 963 CG2 ILE A 125 9.679 75.311 0.759 1.00 11.02 C +ATOM 964 CD1 ILE A 125 11.138 77.540 -0.516 1.00 17.31 C +ATOM 965 N GLY A 126 9.241 74.340 4.135 1.00 11.70 N +ATOM 966 CA GLY A 126 8.733 73.056 4.577 1.00 13.74 C +ATOM 967 C GLY A 126 7.430 72.717 3.887 1.00 14.42 C +ATOM 968 O GLY A 126 6.531 73.553 3.799 1.00 14.49 O +ATOM 969 N VAL A 127 7.317 71.487 3.402 1.00 13.93 N +ATOM 970 CA VAL A 127 6.115 71.072 2.694 1.00 12.91 C +ATOM 971 C VAL A 127 5.713 69.635 3.005 1.00 14.00 C +ATOM 972 O VAL A 127 6.482 68.872 3.594 1.00 12.57 O +ATOM 973 CB VAL A 127 6.313 71.191 1.164 1.00 13.19 C +ATOM 974 CG1 VAL A 127 6.769 72.600 0.804 1.00 12.77 C +ATOM 975 CG2 VAL A 127 7.332 70.172 0.683 1.00 12.08 C +ATOM 976 N ASN A 128 4.494 69.290 2.600 1.00 13.94 N +ATOM 977 CA ASN A 128 3.930 67.954 2.760 1.00 15.47 C +ATOM 978 C ASN A 128 3.746 67.464 4.196 1.00 16.63 C +ATOM 979 O ASN A 128 3.875 66.267 4.469 1.00 16.46 O +ATOM 980 CB ASN A 128 4.765 66.944 1.961 1.00 15.87 C +ATOM 981 CG ASN A 128 3.917 65.856 1.310 1.00 16.54 C +ATOM 982 OD1 ASN A 128 2.689 65.939 1.272 1.00 15.86 O +ATOM 983 ND2 ASN A 128 4.578 64.837 0.779 1.00 16.63 N +ATOM 984 N PHE A 129 3.452 68.381 5.112 1.00 15.35 N +ATOM 985 CA PHE A 129 3.207 67.991 6.497 1.00 16.87 C +ATOM 986 C PHE A 129 1.720 67.683 6.640 1.00 16.43 C +ATOM 987 O PHE A 129 0.873 68.519 6.309 1.00 15.55 O +ATOM 988 CB PHE A 129 3.586 69.115 7.467 1.00 15.41 C +ATOM 989 CG PHE A 129 5.066 69.295 7.640 1.00 15.95 C +ATOM 990 CD1 PHE A 129 5.775 68.503 8.545 1.00 16.09 C +ATOM 991 CD2 PHE A 129 5.760 70.231 6.884 1.00 15.43 C +ATOM 992 CE1 PHE A 129 7.154 68.642 8.687 1.00 12.23 C +ATOM 993 CE2 PHE A 129 7.135 70.377 7.021 1.00 17.13 C +ATOM 994 CZ PHE A 129 7.835 69.578 7.926 1.00 14.35 C +ATOM 995 N PRO A 130 1.379 66.471 7.115 1.00 17.23 N +ATOM 996 CA PRO A 130 -0.027 66.088 7.290 1.00 17.43 C +ATOM 997 C PRO A 130 -0.705 67.072 8.238 1.00 19.13 C +ATOM 998 O PRO A 130 -0.116 67.477 9.240 1.00 18.18 O +ATOM 999 CB PRO A 130 0.072 64.687 7.887 1.00 18.56 C +ATOM 1000 CG PRO A 130 1.338 64.155 7.265 1.00 17.77 C +ATOM 1001 CD PRO A 130 2.273 65.337 7.403 1.00 17.27 C +ATOM 1002 N SER A 131 -1.938 67.462 7.930 1.00 19.83 N +ATOM 1003 CA SER A 131 -2.638 68.417 8.781 1.00 21.51 C +ATOM 1004 C SER A 131 -2.925 67.836 10.161 1.00 21.04 C +ATOM 1005 O SER A 131 -3.111 68.578 11.121 1.00 22.02 O +ATOM 1006 CB SER A 131 -3.949 68.865 8.124 1.00 22.53 C +ATOM 1007 OG SER A 131 -4.870 67.793 8.069 1.00 23.82 O +ATOM 1008 N ASP A 132 -2.955 66.509 10.260 1.00 21.66 N +ATOM 1009 CA ASP A 132 -3.218 65.854 11.538 1.00 22.19 C +ATOM 1010 C ASP A 132 -1.947 65.300 12.165 1.00 21.50 C +ATOM 1011 O ASP A 132 -2.000 64.590 13.172 1.00 19.98 O +ATOM 1012 CB ASP A 132 -4.236 64.718 11.366 1.00 25.67 C +ATOM 1013 CG ASP A 132 -3.920 63.819 10.184 1.00 29.47 C +ATOM 1014 OD1 ASP A 132 -2.733 63.715 9.811 1.00 30.35 O +ATOM 1015 OD2 ASP A 132 -4.863 63.208 9.634 1.00 31.83 O +ATOM 1016 N GLY A 133 -0.806 65.630 11.567 1.00 19.32 N +ATOM 1017 CA GLY A 133 0.467 65.154 12.074 1.00 18.68 C +ATOM 1018 C GLY A 133 0.980 65.917 13.281 1.00 19.17 C +ATOM 1019 O GLY A 133 0.406 66.938 13.664 1.00 18.21 O +ATOM 1020 N PRO A 134 2.073 65.438 13.902 1.00 18.57 N +ATOM 1021 CA PRO A 134 2.714 66.030 15.080 1.00 17.91 C +ATOM 1022 C PRO A 134 3.110 67.492 14.893 1.00 16.38 C +ATOM 1023 O PRO A 134 2.972 68.306 15.803 1.00 17.34 O +ATOM 1024 CB PRO A 134 3.943 65.144 15.285 1.00 19.93 C +ATOM 1025 CG PRO A 134 3.509 63.827 14.746 1.00 21.77 C +ATOM 1026 CD PRO A 134 2.773 64.206 13.494 1.00 18.80 C +ATOM 1027 N VAL A 135 3.606 67.815 13.708 1.00 14.32 N +ATOM 1028 CA VAL A 135 4.049 69.170 13.406 1.00 13.65 C +ATOM 1029 C VAL A 135 2.908 70.183 13.323 1.00 15.13 C +ATOM 1030 O VAL A 135 2.942 71.215 13.994 1.00 14.58 O +ATOM 1031 CB VAL A 135 4.867 69.187 12.095 1.00 12.89 C +ATOM 1032 CG1 VAL A 135 5.217 70.616 11.711 1.00 14.47 C +ATOM 1033 CG2 VAL A 135 6.154 68.386 12.288 1.00 12.23 C +ATOM 1034 N MET A 136 1.900 69.893 12.508 1.00 15.73 N +ATOM 1035 CA MET A 136 0.769 70.804 12.370 1.00 16.84 C +ATOM 1036 C MET A 136 -0.129 70.805 13.607 1.00 16.30 C +ATOM 1037 O MET A 136 -0.844 71.776 13.851 1.00 17.15 O +ATOM 1038 CB MET A 136 -0.051 70.454 11.124 1.00 15.42 C +ATOM 1039 CG MET A 136 0.705 70.621 9.805 1.00 17.35 C +ATOM 1040 SD MET A 136 1.632 72.176 9.681 1.00 18.57 S +ATOM 1041 CE MET A 136 0.332 73.371 9.616 1.00 19.52 C +ATOM 1042 N GLN A 137 -0.091 69.727 14.389 1.00 17.26 N +ATOM 1043 CA GLN A 137 -0.902 69.645 15.604 1.00 18.13 C +ATOM 1044 C GLN A 137 -0.120 70.021 16.865 1.00 17.68 C +ATOM 1045 O GLN A 137 -0.638 69.899 17.978 1.00 18.57 O +ATOM 1046 CB GLN A 137 -1.486 68.240 15.782 1.00 19.88 C +ATOM 1047 CG GLN A 137 -2.516 67.841 14.733 1.00 23.11 C +ATOM 1048 CD GLN A 137 -3.671 68.819 14.648 1.00 26.50 C +ATOM 1049 OE1 GLN A 137 -4.314 69.126 15.651 1.00 28.86 O +ATOM 1050 NE2 GLN A 137 -3.941 69.315 13.446 1.00 27.13 N +ATOM 1051 N LYS A 138 1.119 70.473 16.689 1.00 15.92 N +ATOM 1052 CA LYS A 138 1.976 70.877 17.806 1.00 16.85 C +ATOM 1053 C LYS A 138 1.991 69.863 18.950 1.00 18.12 C +ATOM 1054 O LYS A 138 1.688 70.202 20.097 1.00 18.36 O +ATOM 1055 CB LYS A 138 1.531 72.232 18.359 1.00 16.43 C +ATOM 1056 CG LYS A 138 1.496 73.348 17.338 1.00 19.82 C +ATOM 1057 CD LYS A 138 0.995 74.641 17.967 1.00 21.24 C +ATOM 1058 CE LYS A 138 0.732 75.692 16.907 1.00 24.56 C +ATOM 1059 NZ LYS A 138 -0.050 76.851 17.441 1.00 26.37 N +ATOM 1060 N LYS A 139 2.353 68.624 18.640 1.00 16.46 N +ATOM 1061 CA LYS A 139 2.399 67.577 19.653 1.00 17.85 C +ATOM 1062 C LYS A 139 3.827 67.176 20.011 1.00 16.41 C +ATOM 1063 O LYS A 139 4.041 66.155 20.661 1.00 17.22 O +ATOM 1064 CB LYS A 139 1.643 66.342 19.160 1.00 19.55 C +ATOM 1065 CG LYS A 139 0.146 66.537 18.991 1.00 23.54 C +ATOM 1066 CD LYS A 139 -0.526 66.814 20.322 1.00 27.36 C +ATOM 1067 CE LYS A 139 -2.034 66.621 20.224 1.00 31.01 C +ATOM 1068 NZ LYS A 139 -2.717 66.921 21.509 1.00 33.66 N +ATOM 1069 N THR A 140 4.806 67.968 19.589 1.00 18.01 N +ATOM 1070 CA THR A 140 6.196 67.642 19.881 1.00 16.27 C +ATOM 1071 C THR A 140 6.656 68.261 21.193 1.00 17.20 C +ATOM 1072 O THR A 140 6.106 69.265 21.645 1.00 16.34 O +ATOM 1073 CB THR A 140 7.133 68.098 18.741 1.00 15.19 C +ATOM 1074 OG1 THR A 140 7.097 69.523 18.621 1.00 17.32 O +ATOM 1075 CG2 THR A 140 6.700 67.465 17.427 1.00 14.60 C +ATOM 1076 N MET A 141 7.664 67.649 21.804 1.00 17.15 N +ATOM 1077 CA MET A 141 8.191 68.129 23.071 1.00 18.94 C +ATOM 1078 C MET A 141 9.710 68.194 23.090 1.00 17.06 C +ATOM 1079 O MET A 141 10.339 67.700 24.024 1.00 17.41 O +ATOM 1080 CB MET A 141 7.728 67.223 24.212 1.00 24.00 C +ATOM 1081 CG MET A 141 6.261 67.321 24.562 1.00 30.98 C +ATOM 1082 SD MET A 141 5.881 66.191 25.918 1.00 40.49 S +ATOM 1083 CE MET A 141 6.806 66.969 27.261 1.00 39.09 C +ATOM 1084 N GLY A 142 10.302 68.787 22.059 1.00 14.14 N +ATOM 1085 CA GLY A 142 11.748 68.907 22.023 1.00 12.47 C +ATOM 1086 C GLY A 142 12.475 67.733 21.394 1.00 13.52 C +ATOM 1087 O GLY A 142 11.911 66.652 21.213 1.00 13.37 O +ATOM 1088 N TRP A 143 13.743 67.958 21.069 1.00 12.72 N +ATOM 1089 CA TRP A 143 14.586 66.947 20.447 1.00 11.04 C +ATOM 1090 C TRP A 143 15.371 66.134 21.472 1.00 10.86 C +ATOM 1091 O TRP A 143 15.643 66.602 22.577 1.00 11.29 O +ATOM 1092 CB TRP A 143 15.621 67.597 19.520 1.00 10.82 C +ATOM 1093 CG TRP A 143 15.077 68.414 18.406 1.00 11.46 C +ATOM 1094 CD1 TRP A 143 14.853 69.760 18.406 1.00 12.55 C +ATOM 1095 CD2 TRP A 143 14.684 67.939 17.114 1.00 12.39 C +ATOM 1096 NE1 TRP A 143 14.346 70.155 17.189 1.00 13.59 N +ATOM 1097 CE2 TRP A 143 14.230 69.057 16.378 1.00 14.15 C +ATOM 1098 CE3 TRP A 143 14.667 66.675 16.506 1.00 12.40 C +ATOM 1099 CZ2 TRP A 143 13.767 68.950 15.066 1.00 10.90 C +ATOM 1100 CZ3 TRP A 143 14.206 66.569 15.201 1.00 12.11 C +ATOM 1101 CH2 TRP A 143 13.761 67.700 14.495 1.00 12.78 C +ATOM 1102 N GLU A 144 15.730 64.917 21.086 1.00 11.26 N +ATOM 1103 CA GLU A 144 16.567 64.061 21.911 1.00 12.27 C +ATOM 1104 C GLU A 144 17.965 64.550 21.554 1.00 13.17 C +ATOM 1105 O GLU A 144 18.144 65.181 20.508 1.00 13.50 O +ATOM 1106 CB GLU A 144 16.436 62.596 21.482 1.00 13.77 C +ATOM 1107 CG GLU A 144 15.112 61.944 21.844 1.00 15.50 C +ATOM 1108 CD GLU A 144 15.042 61.581 23.313 1.00 16.99 C +ATOM 1109 OE1 GLU A 144 15.996 61.908 24.047 1.00 18.55 O +ATOM 1110 OE2 GLU A 144 14.039 60.971 23.735 1.00 15.49 O +ATOM 1111 N ALA A 145 18.951 64.286 22.406 1.00 13.52 N +ATOM 1112 CA ALA A 145 20.315 64.694 22.085 1.00 13.65 C +ATOM 1113 C ALA A 145 20.661 63.885 20.837 1.00 13.94 C +ATOM 1114 O ALA A 145 20.113 62.801 20.635 1.00 14.61 O +ATOM 1115 CB ALA A 145 21.257 64.353 23.224 1.00 13.96 C +ATOM 1116 N SER A 146 21.563 64.392 20.003 1.00 13.52 N +ATOM 1117 CA SER A 146 21.897 63.688 18.769 1.00 13.00 C +ATOM 1118 C SER A 146 23.383 63.500 18.480 1.00 11.57 C +ATOM 1119 O SER A 146 24.251 64.028 19.178 1.00 13.38 O +ATOM 1120 CB SER A 146 21.265 64.417 17.584 1.00 12.72 C +ATOM 1121 OG SER A 146 21.875 65.680 17.407 1.00 13.65 O +ATOM 1122 N THR A 147 23.652 62.749 17.418 1.00 12.08 N +ATOM 1123 CA THR A 147 25.010 62.459 16.982 1.00 10.74 C +ATOM 1124 C THR A 147 25.081 62.435 15.459 1.00 11.58 C +ATOM 1125 O THR A 147 24.535 61.544 14.811 1.00 9.15 O +ATOM 1126 CB THR A 147 25.490 61.107 17.552 1.00 11.50 C +ATOM 1127 OG1 THR A 147 25.507 61.181 18.983 1.00 10.19 O +ATOM 1128 CG2 THR A 147 26.893 60.784 17.061 1.00 13.87 C +ATOM 1129 N GLU A 148 25.752 63.437 14.900 1.00 12.42 N +ATOM 1130 CA GLU A 148 25.914 63.583 13.456 1.00 13.62 C +ATOM 1131 C GLU A 148 27.189 62.908 12.939 1.00 15.17 C +ATOM 1132 O GLU A 148 28.254 63.015 13.554 1.00 16.56 O +ATOM 1133 CB GLU A 148 25.930 65.080 13.109 1.00 14.96 C +ATOM 1134 CG GLU A 148 26.326 65.430 11.678 1.00 15.88 C +ATOM 1135 CD GLU A 148 26.376 66.937 11.446 1.00 17.78 C +ATOM 1136 OE1 GLU A 148 26.933 67.653 12.310 1.00 19.68 O +ATOM 1137 OE2 GLU A 148 25.868 67.406 10.403 1.00 14.80 O +ATOM 1138 N ARG A 149 27.065 62.211 11.809 1.00 12.69 N +ATOM 1139 CA ARG A 149 28.185 61.514 11.165 1.00 12.79 C +ATOM 1140 C ARG A 149 28.653 62.397 10.012 1.00 10.28 C +ATOM 1141 O ARG A 149 27.915 62.590 9.051 1.00 10.84 O +ATOM 1142 CB ARG A 149 27.701 60.148 10.633 1.00 13.32 C +ATOM 1143 CG ARG A 149 28.748 59.273 9.910 1.00 13.47 C +ATOM 1144 CD ARG A 149 29.112 59.792 8.511 1.00 13.60 C +ATOM 1145 NE ARG A 149 27.973 59.877 7.589 1.00 15.33 N +ATOM 1146 CZ ARG A 149 27.503 58.872 6.851 1.00 15.82 C +ATOM 1147 NH1 ARG A 149 28.064 57.672 6.908 1.00 14.66 N +ATOM 1148 NH2 ARG A 149 26.466 59.069 6.043 1.00 13.66 N +ATOM 1149 N LEU A 150 29.870 62.935 10.103 1.00 10.75 N +ATOM 1150 CA LEU A 150 30.396 63.818 9.058 1.00 12.44 C +ATOM 1151 C LEU A 150 31.527 63.218 8.233 1.00 12.17 C +ATOM 1152 O LEU A 150 32.177 62.257 8.646 1.00 11.33 O +ATOM 1153 CB LEU A 150 30.881 65.139 9.662 1.00 12.60 C +ATOM 1154 CG LEU A 150 29.865 65.989 10.429 1.00 14.85 C +ATOM 1155 CD1 LEU A 150 29.811 65.528 11.882 1.00 15.12 C +ATOM 1156 CD2 LEU A 150 30.274 67.451 10.367 1.00 14.97 C +ATOM 1157 N TYR A 151 31.772 63.814 7.067 1.00 12.20 N +ATOM 1158 CA TYR A 151 32.813 63.336 6.162 1.00 13.45 C +ATOM 1159 C TYR A 151 33.024 64.347 5.037 1.00 13.33 C +ATOM 1160 O TYR A 151 32.131 65.135 4.722 1.00 13.17 O +ATOM 1161 CB TYR A 151 32.392 61.990 5.559 1.00 14.78 C +ATOM 1162 CG TYR A 151 31.077 62.072 4.809 1.00 15.07 C +ATOM 1163 CD1 TYR A 151 29.866 61.901 5.478 1.00 15.57 C +ATOM 1164 CD2 TYR A 151 31.037 62.422 3.456 1.00 16.08 C +ATOM 1165 CE1 TYR A 151 28.650 62.089 4.826 1.00 16.29 C +ATOM 1166 CE2 TYR A 151 29.822 62.609 2.793 1.00 13.40 C +ATOM 1167 CZ TYR A 151 28.635 62.448 3.489 1.00 15.71 C +ATOM 1168 OH TYR A 151 27.428 62.692 2.872 1.00 15.55 O +ATOM 1169 N PRO A 152 34.217 64.347 4.426 1.00 12.66 N +ATOM 1170 CA PRO A 152 34.486 65.285 3.333 1.00 13.55 C +ATOM 1171 C PRO A 152 33.969 64.724 2.018 1.00 15.14 C +ATOM 1172 O PRO A 152 33.941 63.511 1.822 1.00 12.78 O +ATOM 1173 CB PRO A 152 36.005 65.382 3.339 1.00 12.15 C +ATOM 1174 CG PRO A 152 36.400 63.972 3.692 1.00 14.10 C +ATOM 1175 CD PRO A 152 35.452 63.652 4.832 1.00 11.46 C +ATOM 1176 N ARG A 153 33.558 65.609 1.118 1.00 15.55 N +ATOM 1177 CA ARG A 153 33.075 65.189 -0.192 1.00 17.46 C +ATOM 1178 C ARG A 153 32.804 66.389 -1.076 1.00 17.83 C +ATOM 1179 O ARG A 153 32.313 67.414 -0.608 1.00 18.77 O +ATOM 1180 CB ARG A 153 31.791 64.351 -0.087 1.00 16.59 C +ATOM 1181 CG ARG A 153 31.168 64.096 -1.461 1.00 19.46 C +ATOM 1182 CD ARG A 153 29.977 63.166 -1.429 1.00 20.33 C +ATOM 1183 NE ARG A 153 30.343 61.783 -1.140 1.00 18.76 N +ATOM 1184 CZ ARG A 153 29.515 60.756 -1.306 1.00 19.19 C +ATOM 1185 NH1 ARG A 153 28.288 60.972 -1.761 1.00 17.43 N +ATOM 1186 NH2 ARG A 153 29.903 59.519 -1.014 1.00 16.29 N +ATOM 1187 N ASP A 154 33.137 66.253 -2.355 1.00 19.84 N +ATOM 1188 CA ASP A 154 32.912 67.319 -3.316 1.00 20.71 C +ATOM 1189 C ASP A 154 33.620 68.600 -2.887 1.00 20.96 C +ATOM 1190 O ASP A 154 33.163 69.697 -3.202 1.00 19.99 O +ATOM 1191 CB ASP A 154 31.412 67.589 -3.440 1.00 24.85 C +ATOM 1192 CG ASP A 154 30.947 67.658 -4.875 1.00 27.98 C +ATOM 1193 OD1 ASP A 154 31.780 67.933 -5.761 1.00 29.88 O +ATOM 1194 OD2 ASP A 154 29.741 67.448 -5.114 1.00 31.62 O +ATOM 1195 N GLY A 155 34.726 68.457 -2.161 1.00 18.82 N +ATOM 1196 CA GLY A 155 35.473 69.618 -1.707 1.00 19.15 C +ATOM 1197 C GLY A 155 34.841 70.357 -0.539 1.00 17.43 C +ATOM 1198 O GLY A 155 35.312 71.426 -0.145 1.00 18.54 O +ATOM 1199 N VAL A 156 33.769 69.805 0.017 1.00 16.23 N +ATOM 1200 CA VAL A 156 33.108 70.442 1.149 1.00 15.14 C +ATOM 1201 C VAL A 156 32.859 69.448 2.276 1.00 13.49 C +ATOM 1202 O VAL A 156 33.298 68.303 2.210 1.00 11.76 O +ATOM 1203 CB VAL A 156 31.775 71.101 0.725 1.00 14.71 C +ATOM 1204 CG1 VAL A 156 32.058 72.236 -0.247 1.00 16.76 C +ATOM 1205 CG2 VAL A 156 30.862 70.081 0.079 1.00 13.66 C +ATOM 1206 N LEU A 157 32.165 69.899 3.314 1.00 14.23 N +ATOM 1207 CA LEU A 157 31.877 69.058 4.467 1.00 12.90 C +ATOM 1208 C LEU A 157 30.408 68.676 4.498 1.00 13.81 C +ATOM 1209 O LEU A 157 29.541 69.521 4.283 1.00 13.98 O +ATOM 1210 CB LEU A 157 32.252 69.803 5.753 1.00 12.70 C +ATOM 1211 CG LEU A 157 32.022 69.047 7.065 1.00 13.89 C +ATOM 1212 CD1 LEU A 157 32.824 67.748 7.064 1.00 12.42 C +ATOM 1213 CD2 LEU A 157 32.422 69.940 8.238 1.00 12.91 C +ATOM 1214 N LYS A 158 30.129 67.396 4.750 1.00 13.31 N +ATOM 1215 CA LYS A 158 28.752 66.912 4.810 1.00 15.35 C +ATOM 1216 C LYS A 158 28.516 66.065 6.066 1.00 14.87 C +ATOM 1217 O LYS A 158 29.458 65.509 6.632 1.00 15.91 O +ATOM 1218 CB LYS A 158 28.427 66.098 3.546 1.00 15.20 C +ATOM 1219 CG LYS A 158 28.697 66.867 2.252 1.00 18.02 C +ATOM 1220 CD LYS A 158 28.260 66.100 1.003 1.00 19.67 C +ATOM 1221 CE LYS A 158 26.740 66.049 0.867 1.00 21.91 C +ATOM 1222 NZ LYS A 158 26.308 65.305 -0.356 1.00 22.12 N +ATOM 1223 N GLY A 159 27.259 65.982 6.497 1.00 13.62 N +ATOM 1224 CA GLY A 159 26.923 65.204 7.678 1.00 13.66 C +ATOM 1225 C GLY A 159 25.455 64.816 7.707 1.00 14.14 C +ATOM 1226 O GLY A 159 24.598 65.566 7.239 1.00 12.94 O +ATOM 1227 N GLU A 160 25.163 63.637 8.250 1.00 12.78 N +ATOM 1228 CA GLU A 160 23.791 63.162 8.349 1.00 13.53 C +ATOM 1229 C GLU A 160 23.474 62.839 9.802 1.00 13.74 C +ATOM 1230 O GLU A 160 24.360 62.476 10.577 1.00 12.71 O +ATOM 1231 CB GLU A 160 23.577 61.906 7.500 1.00 14.28 C +ATOM 1232 CG GLU A 160 23.692 62.107 5.991 1.00 16.93 C +ATOM 1233 CD GLU A 160 25.124 62.258 5.526 1.00 18.11 C +ATOM 1234 OE1 GLU A 160 26.022 61.648 6.145 1.00 20.56 O +ATOM 1235 OE2 GLU A 160 25.353 62.972 4.532 1.00 18.66 O +ATOM 1236 N ILE A 161 22.205 62.965 10.168 1.00 12.65 N +ATOM 1237 CA ILE A 161 21.801 62.693 11.534 1.00 12.79 C +ATOM 1238 C ILE A 161 20.445 62.013 11.591 1.00 12.15 C +ATOM 1239 O ILE A 161 19.538 62.341 10.825 1.00 10.79 O +ATOM 1240 CB ILE A 161 21.673 63.998 12.365 1.00 13.05 C +ATOM 1241 CG1 ILE A 161 22.724 65.019 11.937 1.00 14.27 C +ATOM 1242 CG2 ILE A 161 21.862 63.689 13.845 1.00 13.46 C +ATOM 1243 CD1 ILE A 161 22.609 66.364 12.694 1.00 13.95 C +ATOM 1244 N HIS A 162 20.321 61.051 12.495 1.00 11.36 N +ATOM 1245 CA HIS A 162 19.050 60.391 12.718 1.00 11.96 C +ATOM 1246 C HIS A 162 18.578 61.044 14.007 1.00 13.02 C +ATOM 1247 O HIS A 162 19.055 60.726 15.097 1.00 13.10 O +ATOM 1248 CB HIS A 162 19.240 58.881 12.882 1.00 12.71 C +ATOM 1249 CG HIS A 162 19.255 58.142 11.581 1.00 12.96 C +ATOM 1250 ND1 HIS A 162 20.296 57.322 11.196 1.00 14.63 N +ATOM 1251 CD2 HIS A 162 18.361 58.116 10.564 1.00 10.13 C +ATOM 1252 CE1 HIS A 162 20.042 56.826 9.998 1.00 12.08 C +ATOM 1253 NE2 HIS A 162 18.874 57.293 9.592 1.00 11.60 N +ATOM 1254 N LYS A 163 17.658 61.992 13.870 1.00 12.71 N +ATOM 1255 CA LYS A 163 17.145 62.725 15.021 1.00 13.48 C +ATOM 1256 C LYS A 163 15.714 62.346 15.380 1.00 13.55 C +ATOM 1257 O LYS A 163 15.027 61.657 14.623 1.00 13.84 O +ATOM 1258 CB LYS A 163 17.247 64.232 14.756 1.00 12.37 C +ATOM 1259 CG LYS A 163 18.684 64.756 14.766 1.00 14.20 C +ATOM 1260 CD LYS A 163 18.759 66.250 14.446 1.00 14.42 C +ATOM 1261 CE LYS A 163 17.884 67.080 15.382 1.00 16.33 C +ATOM 1262 NZ LYS A 163 18.215 66.886 16.835 1.00 17.41 N +ATOM 1263 N ALA A 164 15.261 62.802 16.541 1.00 11.26 N +ATOM 1264 CA ALA A 164 13.918 62.472 16.975 1.00 11.33 C +ATOM 1265 C ALA A 164 13.292 63.501 17.899 1.00 11.93 C +ATOM 1266 O ALA A 164 13.944 64.043 18.794 1.00 12.04 O +ATOM 1267 CB ALA A 164 13.923 61.104 17.665 1.00 12.69 C +ATOM 1268 N LEU A 165 12.010 63.759 17.668 1.00 10.38 N +ATOM 1269 CA LEU A 165 11.254 64.681 18.493 1.00 13.00 C +ATOM 1270 C LEU A 165 10.408 63.831 19.436 1.00 13.43 C +ATOM 1271 O LEU A 165 9.792 62.851 19.013 1.00 13.42 O +ATOM 1272 CB LEU A 165 10.345 65.561 17.627 1.00 11.47 C +ATOM 1273 CG LEU A 165 11.011 66.781 16.986 1.00 10.08 C +ATOM 1274 CD1 LEU A 165 10.072 67.438 15.994 1.00 11.66 C +ATOM 1275 CD2 LEU A 165 11.398 67.758 18.080 1.00 10.43 C +ATOM 1276 N LYS A 166 10.408 64.189 20.714 1.00 15.52 N +ATOM 1277 CA LYS A 166 9.615 63.473 21.701 1.00 16.58 C +ATOM 1278 C LYS A 166 8.174 63.926 21.514 1.00 17.33 C +ATOM 1279 O LYS A 166 7.922 65.104 21.262 1.00 16.59 O +ATOM 1280 CB LYS A 166 10.111 63.805 23.113 1.00 18.18 C +ATOM 1281 CG LYS A 166 11.468 63.188 23.437 1.00 19.67 C +ATOM 1282 CD LYS A 166 12.039 63.682 24.759 1.00 20.63 C +ATOM 1283 CE LYS A 166 12.499 65.128 24.648 1.00 23.40 C +ATOM 1284 NZ LYS A 166 13.250 65.593 25.852 1.00 24.56 N +ATOM 1285 N LEU A 167 7.233 62.991 21.619 1.00 17.79 N +ATOM 1286 CA LEU A 167 5.817 63.303 21.443 1.00 20.52 C +ATOM 1287 C LEU A 167 5.082 63.431 22.774 1.00 23.30 C +ATOM 1288 O LEU A 167 5.290 62.633 23.688 1.00 23.19 O +ATOM 1289 CB LEU A 167 5.152 62.221 20.586 1.00 20.14 C +ATOM 1290 CG LEU A 167 5.673 62.102 19.147 1.00 20.55 C +ATOM 1291 CD1 LEU A 167 5.135 60.828 18.503 1.00 21.21 C +ATOM 1292 CD2 LEU A 167 5.257 63.340 18.344 1.00 18.76 C +ATOM 1293 N LYS A 168 4.225 64.442 22.878 1.00 25.09 N +ATOM 1294 CA LYS A 168 3.457 64.674 24.098 1.00 28.89 C +ATOM 1295 C LYS A 168 2.672 63.431 24.507 1.00 29.49 C +ATOM 1296 O LYS A 168 2.475 63.172 25.696 1.00 30.15 O +ATOM 1297 CB LYS A 168 2.481 65.841 23.906 1.00 30.26 C +ATOM 1298 CG LYS A 168 3.145 67.201 23.745 1.00 33.23 C +ATOM 1299 CD LYS A 168 2.119 68.306 23.552 1.00 35.58 C +ATOM 1300 CE LYS A 168 2.793 69.658 23.347 1.00 37.25 C +ATOM 1301 NZ LYS A 168 3.617 70.041 24.527 1.00 39.05 N +ATOM 1302 N ASP A 169 2.225 62.664 23.520 1.00 30.33 N +ATOM 1303 CA ASP A 169 1.455 61.461 23.796 1.00 31.70 C +ATOM 1304 C ASP A 169 2.307 60.198 23.850 1.00 31.43 C +ATOM 1305 O ASP A 169 1.781 59.085 23.807 1.00 31.80 O +ATOM 1306 CB ASP A 169 0.338 61.302 22.759 1.00 35.39 C +ATOM 1307 CG ASP A 169 -0.713 62.396 22.866 1.00 37.19 C +ATOM 1308 OD1 ASP A 169 -1.269 62.577 23.969 1.00 38.85 O +ATOM 1309 OD2 ASP A 169 -0.986 63.071 21.849 1.00 40.20 O +ATOM 1310 N GLY A 170 3.620 60.376 23.962 1.00 29.95 N +ATOM 1311 CA GLY A 170 4.515 59.237 24.039 1.00 28.42 C +ATOM 1312 C GLY A 170 5.098 58.809 22.706 1.00 26.99 C +ATOM 1313 O GLY A 170 4.461 58.955 21.660 1.00 27.55 O +ATOM 1314 N GLY A 171 6.315 58.272 22.749 1.00 24.17 N +ATOM 1315 CA GLY A 171 6.974 57.822 21.538 1.00 22.80 C +ATOM 1316 C GLY A 171 7.790 58.922 20.891 1.00 20.63 C +ATOM 1317 O GLY A 171 7.922 60.015 21.444 1.00 20.78 O +ATOM 1318 N HIS A 172 8.346 58.636 19.718 1.00 20.23 N +ATOM 1319 CA HIS A 172 9.147 59.619 19.003 1.00 17.60 C +ATOM 1320 C HIS A 172 8.648 59.877 17.590 1.00 16.55 C +ATOM 1321 O HIS A 172 7.939 59.063 17.001 1.00 16.32 O +ATOM 1322 CB HIS A 172 10.609 59.175 18.918 1.00 17.70 C +ATOM 1323 CG HIS A 172 11.305 59.115 20.239 1.00 17.64 C +ATOM 1324 ND1 HIS A 172 11.254 58.009 21.060 1.00 18.26 N +ATOM 1325 CD2 HIS A 172 12.057 60.034 20.890 1.00 18.69 C +ATOM 1326 CE1 HIS A 172 11.946 58.250 22.160 1.00 19.81 C +ATOM 1327 NE2 HIS A 172 12.444 59.472 22.082 1.00 16.88 N +ATOM 1328 N TYR A 173 9.031 61.031 17.061 1.00 16.50 N +ATOM 1329 CA TYR A 173 8.683 61.435 15.705 1.00 15.78 C +ATOM 1330 C TYR A 173 10.056 61.569 15.058 1.00 15.25 C +ATOM 1331 O TYR A 173 10.827 62.469 15.395 1.00 15.00 O +ATOM 1332 CB TYR A 173 7.931 62.769 15.736 1.00 15.47 C +ATOM 1333 CG TYR A 173 7.630 63.368 14.383 1.00 15.61 C +ATOM 1334 CD1 TYR A 173 7.115 62.588 13.345 1.00 14.53 C +ATOM 1335 CD2 TYR A 173 7.816 64.730 14.153 1.00 14.54 C +ATOM 1336 CE1 TYR A 173 6.790 63.159 12.108 1.00 15.92 C +ATOM 1337 CE2 TYR A 173 7.494 65.306 12.929 1.00 14.52 C +ATOM 1338 CZ TYR A 173 6.981 64.519 11.913 1.00 14.81 C +ATOM 1339 OH TYR A 173 6.645 65.103 10.713 1.00 16.44 O +ATOM 1340 N LEU A 174 10.356 60.660 14.135 1.00 13.86 N +ATOM 1341 CA LEU A 174 11.663 60.611 13.488 1.00 13.12 C +ATOM 1342 C LEU A 174 11.890 61.552 12.315 1.00 13.34 C +ATOM 1343 O LEU A 174 10.992 61.798 11.507 1.00 13.10 O +ATOM 1344 CB LEU A 174 11.937 59.171 13.066 1.00 11.60 C +ATOM 1345 CG LEU A 174 11.607 58.183 14.187 1.00 11.80 C +ATOM 1346 CD1 LEU A 174 11.827 56.762 13.696 1.00 11.41 C +ATOM 1347 CD2 LEU A 174 12.469 58.490 15.416 1.00 13.10 C +ATOM 1348 N VAL A 175 13.116 62.061 12.230 1.00 15.14 N +ATOM 1349 CA VAL A 175 13.509 62.994 11.186 1.00 13.70 C +ATOM 1350 C VAL A 175 14.966 62.748 10.808 1.00 13.63 C +ATOM 1351 O VAL A 175 15.824 62.715 11.683 1.00 14.09 O +ATOM 1352 CB VAL A 175 13.424 64.462 11.679 1.00 15.43 C +ATOM 1353 CG1 VAL A 175 13.505 65.402 10.488 1.00 14.53 C +ATOM 1354 CG2 VAL A 175 12.159 64.688 12.487 1.00 15.58 C +ATOM 1355 N GLU A 176 15.249 62.582 9.519 1.00 13.60 N +ATOM 1356 CA GLU A 176 16.630 62.389 9.079 1.00 13.48 C +ATOM 1357 C GLU A 176 17.168 63.725 8.570 1.00 13.79 C +ATOM 1358 O GLU A 176 16.514 64.400 7.775 1.00 12.42 O +ATOM 1359 CB GLU A 176 16.734 61.353 7.954 1.00 14.14 C +ATOM 1360 CG GLU A 176 18.160 61.239 7.419 1.00 17.15 C +ATOM 1361 CD GLU A 176 18.263 60.531 6.083 1.00 18.50 C +ATOM 1362 OE1 GLU A 176 17.443 60.818 5.186 1.00 19.48 O +ATOM 1363 OE2 GLU A 176 19.180 59.699 5.922 1.00 19.05 O +ATOM 1364 N PHE A 177 18.351 64.100 9.047 1.00 11.85 N +ATOM 1365 CA PHE A 177 19.007 65.349 8.663 1.00 11.54 C +ATOM 1366 C PHE A 177 20.154 65.089 7.682 1.00 12.47 C +ATOM 1367 O PHE A 177 20.954 64.175 7.877 1.00 12.21 O +ATOM 1368 CB PHE A 177 19.617 66.048 9.895 1.00 9.86 C +ATOM 1369 CG PHE A 177 18.652 66.897 10.692 1.00 9.06 C +ATOM 1370 CD1 PHE A 177 17.377 66.443 11.011 1.00 12.02 C +ATOM 1371 CD2 PHE A 177 19.062 68.134 11.187 1.00 10.66 C +ATOM 1372 CE1 PHE A 177 16.528 67.206 11.814 1.00 13.78 C +ATOM 1373 CE2 PHE A 177 18.222 68.906 11.991 1.00 10.24 C +ATOM 1374 CZ PHE A 177 16.955 68.441 12.306 1.00 12.74 C +ATOM 1375 N LYS A 178 20.231 65.910 6.640 1.00 14.22 N +ATOM 1376 CA LYS A 178 21.305 65.831 5.660 1.00 14.30 C +ATOM 1377 C LYS A 178 21.789 67.263 5.438 1.00 14.43 C +ATOM 1378 O LYS A 178 21.065 68.102 4.892 1.00 13.97 O +ATOM 1379 CB LYS A 178 20.809 65.206 4.355 1.00 16.74 C +ATOM 1380 CG LYS A 178 20.590 63.698 4.458 1.00 18.49 C +ATOM 1381 CD LYS A 178 20.460 63.057 3.087 1.00 22.07 C +ATOM 1382 CE LYS A 178 20.509 61.544 3.191 1.00 23.41 C +ATOM 1383 NZ LYS A 178 20.789 60.915 1.873 1.00 25.92 N +ATOM 1384 N SER A 179 23.010 67.547 5.881 1.00 15.30 N +ATOM 1385 CA SER A 179 23.557 68.889 5.759 1.00 14.55 C +ATOM 1386 C SER A 179 24.814 68.966 4.906 1.00 15.26 C +ATOM 1387 O SER A 179 25.554 67.989 4.767 1.00 13.85 O +ATOM 1388 CB SER A 179 23.870 69.457 7.148 1.00 14.42 C +ATOM 1389 OG SER A 179 22.757 69.350 8.019 1.00 15.75 O +ATOM 1390 N ILE A 180 25.031 70.150 4.342 1.00 13.87 N +ATOM 1391 CA ILE A 180 26.191 70.442 3.517 1.00 15.43 C +ATOM 1392 C ILE A 180 26.774 71.747 4.049 1.00 15.91 C +ATOM 1393 O ILE A 180 26.081 72.764 4.098 1.00 15.42 O +ATOM 1394 CB ILE A 180 25.816 70.668 2.038 1.00 15.69 C +ATOM 1395 CG1 ILE A 180 24.980 69.497 1.519 1.00 15.04 C +ATOM 1396 CG2 ILE A 180 27.076 70.828 1.207 1.00 13.72 C +ATOM 1397 CD1 ILE A 180 23.502 69.641 1.806 1.00 13.79 C +ATOM 1398 N TYR A 181 28.037 71.716 4.456 1.00 15.84 N +ATOM 1399 CA TYR A 181 28.692 72.909 4.982 1.00 16.70 C +ATOM 1400 C TYR A 181 29.709 73.353 3.937 1.00 16.60 C +ATOM 1401 O TYR A 181 30.615 72.600 3.588 1.00 16.51 O +ATOM 1402 CB TYR A 181 29.365 72.584 6.319 1.00 16.06 C +ATOM 1403 CG TYR A 181 28.429 71.928 7.318 1.00 16.07 C +ATOM 1404 CD1 TYR A 181 27.568 72.694 8.104 1.00 17.33 C +ATOM 1405 CD2 TYR A 181 28.386 70.537 7.460 1.00 17.81 C +ATOM 1406 CE1 TYR A 181 26.685 72.094 9.009 1.00 18.42 C +ATOM 1407 CE2 TYR A 181 27.506 69.926 8.366 1.00 16.96 C +ATOM 1408 CZ TYR A 181 26.661 70.712 9.133 1.00 18.05 C +ATOM 1409 OH TYR A 181 25.791 70.121 10.028 1.00 19.15 O +ATOM 1410 N MET A 182 29.554 74.577 3.439 1.00 17.37 N +ATOM 1411 CA MET A 182 30.423 75.084 2.384 1.00 17.77 C +ATOM 1412 C MET A 182 31.170 76.373 2.702 1.00 17.88 C +ATOM 1413 O MET A 182 30.574 77.449 2.746 1.00 16.33 O +ATOM 1414 CB MET A 182 29.588 75.290 1.119 1.00 20.85 C +ATOM 1415 CG MET A 182 28.731 74.090 0.738 1.00 20.33 C +ATOM 1416 SD MET A 182 27.451 74.511 -0.468 1.00 27.21 S +ATOM 1417 CE MET A 182 26.100 74.932 0.615 1.00 27.14 C +ATOM 1418 N ALA A 183 32.481 76.266 2.904 1.00 18.13 N +ATOM 1419 CA ALA A 183 33.294 77.443 3.198 1.00 19.77 C +ATOM 1420 C ALA A 183 33.305 78.358 1.973 1.00 20.27 C +ATOM 1421 O ALA A 183 33.335 77.884 0.836 1.00 17.26 O +ATOM 1422 CB ALA A 183 34.713 77.028 3.550 1.00 18.68 C +ATOM 1423 N LYS A 184 33.274 79.666 2.207 1.00 21.22 N +ATOM 1424 CA LYS A 184 33.285 80.633 1.115 1.00 23.29 C +ATOM 1425 C LYS A 184 34.672 80.716 0.488 1.00 25.11 C +ATOM 1426 O LYS A 184 34.839 81.220 -0.621 1.00 25.15 O +ATOM 1427 CB LYS A 184 32.841 82.003 1.623 1.00 24.61 C +ATOM 1428 CG LYS A 184 31.381 82.034 2.022 1.00 24.24 C +ATOM 1429 CD LYS A 184 31.026 83.316 2.739 1.00 25.37 C +ATOM 1430 CE LYS A 184 29.594 83.277 3.224 1.00 23.53 C +ATOM 1431 NZ LYS A 184 29.296 84.414 4.127 1.00 23.74 N +ATOM 1432 N LYS A 185 35.664 80.215 1.214 1.00 26.58 N +ATOM 1433 CA LYS A 185 37.037 80.181 0.731 1.00 29.18 C +ATOM 1434 C LYS A 185 37.520 78.780 1.069 1.00 28.68 C +ATOM 1435 O LYS A 185 37.170 78.239 2.115 1.00 30.06 O +ATOM 1436 CB LYS A 185 37.903 81.215 1.456 1.00 30.50 C +ATOM 1437 CG LYS A 185 38.061 80.952 2.944 1.00 32.98 C +ATOM 1438 CD LYS A 185 39.023 81.929 3.589 1.00 35.14 C +ATOM 1439 CE LYS A 185 39.203 81.616 5.065 1.00 34.08 C +ATOM 1440 NZ LYS A 185 40.157 82.554 5.712 1.00 36.21 N +ATOM 1441 N PRO A 186 38.307 78.160 0.182 1.00 27.78 N +ATOM 1442 CA PRO A 186 38.781 76.810 0.497 1.00 26.80 C +ATOM 1443 C PRO A 186 39.679 76.765 1.732 1.00 25.81 C +ATOM 1444 O PRO A 186 40.611 77.560 1.860 1.00 25.00 O +ATOM 1445 CB PRO A 186 39.511 76.391 -0.783 1.00 27.64 C +ATOM 1446 CG PRO A 186 39.964 77.704 -1.369 1.00 27.98 C +ATOM 1447 CD PRO A 186 38.762 78.586 -1.153 1.00 27.76 C +ATOM 1448 N VAL A 187 39.367 75.845 2.646 1.00 24.84 N +ATOM 1449 CA VAL A 187 40.137 75.648 3.874 1.00 23.79 C +ATOM 1450 C VAL A 187 40.244 74.149 4.149 1.00 23.24 C +ATOM 1451 O VAL A 187 39.597 73.340 3.477 1.00 22.00 O +ATOM 1452 CB VAL A 187 39.489 76.347 5.101 1.00 25.17 C +ATOM 1453 CG1 VAL A 187 39.479 77.856 4.894 1.00 26.58 C +ATOM 1454 CG2 VAL A 187 38.081 75.820 5.325 1.00 24.65 C +ATOM 1455 N GLN A 188 41.057 73.782 5.136 1.00 22.12 N +ATOM 1456 CA GLN A 188 41.275 72.378 5.468 1.00 21.22 C +ATOM 1457 C GLN A 188 40.021 71.650 5.948 1.00 20.66 C +ATOM 1458 O GLN A 188 39.329 72.106 6.857 1.00 20.20 O +ATOM 1459 CB GLN A 188 42.375 72.250 6.529 1.00 20.72 C +ATOM 1460 CG GLN A 188 42.851 70.815 6.751 1.00 24.70 C +ATOM 1461 CD GLN A 188 43.884 70.687 7.867 1.00 28.69 C +ATOM 1462 OE1 GLN A 188 44.518 69.639 8.021 1.00 29.04 O +ATOM 1463 NE2 GLN A 188 44.049 71.748 8.658 1.00 26.91 N +ATOM 1464 N LEU A 189 39.746 70.508 5.329 1.00 20.19 N +ATOM 1465 CA LEU A 189 38.592 69.692 5.684 1.00 19.83 C +ATOM 1466 C LEU A 189 39.025 68.572 6.631 1.00 19.10 C +ATOM 1467 O LEU A 189 40.172 68.124 6.591 1.00 18.91 O +ATOM 1468 CB LEU A 189 37.977 69.082 4.418 1.00 19.09 C +ATOM 1469 CG LEU A 189 37.137 69.982 3.511 1.00 18.14 C +ATOM 1470 CD1 LEU A 189 37.053 69.390 2.107 1.00 17.41 C +ATOM 1471 CD2 LEU A 189 35.746 70.124 4.111 1.00 18.92 C +ATOM 1472 N PRO A 190 38.119 68.123 7.516 1.00 17.50 N +ATOM 1473 CA PRO A 190 38.448 67.045 8.452 1.00 16.96 C +ATOM 1474 C PRO A 190 38.203 65.715 7.754 1.00 16.80 C +ATOM 1475 O PRO A 190 37.901 65.689 6.565 1.00 16.78 O +ATOM 1476 CB PRO A 190 37.466 67.276 9.588 1.00 18.62 C +ATOM 1477 CG PRO A 190 36.232 67.721 8.845 1.00 17.05 C +ATOM 1478 CD PRO A 190 36.797 68.703 7.829 1.00 16.95 C +ATOM 1479 N GLY A 191 38.341 64.618 8.489 1.00 16.11 N +ATOM 1480 CA GLY A 191 38.088 63.314 7.911 1.00 17.63 C +ATOM 1481 C GLY A 191 36.717 62.854 8.372 1.00 17.49 C +ATOM 1482 O GLY A 191 35.825 63.677 8.597 1.00 17.39 O +ATOM 1483 N TYR A 192 36.550 61.542 8.514 1.00 17.04 N +ATOM 1484 CA TYR A 192 35.296 60.944 8.966 1.00 17.70 C +ATOM 1485 C TYR A 192 35.215 61.143 10.486 1.00 17.77 C +ATOM 1486 O TYR A 192 36.049 60.618 11.222 1.00 18.53 O +ATOM 1487 CB TYR A 192 35.308 59.441 8.660 1.00 16.77 C +ATOM 1488 CG TYR A 192 33.952 58.775 8.631 1.00 15.85 C +ATOM 1489 CD1 TYR A 192 33.169 58.791 7.472 1.00 15.74 C +ATOM 1490 CD2 TYR A 192 33.466 58.085 9.746 1.00 14.82 C +ATOM 1491 CE1 TYR A 192 31.937 58.127 7.425 1.00 13.89 C +ATOM 1492 CE2 TYR A 192 32.236 57.423 9.707 1.00 14.14 C +ATOM 1493 CZ TYR A 192 31.481 57.447 8.546 1.00 13.61 C +ATOM 1494 OH TYR A 192 30.279 56.782 8.503 1.00 15.06 O +ATOM 1495 N TYR A 193 34.224 61.889 10.966 1.00 15.21 N +ATOM 1496 CA TYR A 193 34.124 62.101 12.406 1.00 13.12 C +ATOM 1497 C TYR A 193 32.692 62.361 12.874 1.00 14.01 C +ATOM 1498 O TYR A 193 31.748 62.308 12.074 1.00 12.94 O +ATOM 1499 CB TYR A 193 35.070 63.239 12.833 1.00 13.62 C +ATOM 1500 CG TYR A 193 34.558 64.657 12.645 1.00 14.06 C +ATOM 1501 CD1 TYR A 193 34.416 65.222 11.373 1.00 12.21 C +ATOM 1502 CD2 TYR A 193 34.274 65.456 13.755 1.00 13.07 C +ATOM 1503 CE1 TYR A 193 34.006 66.565 11.218 1.00 12.44 C +ATOM 1504 CE2 TYR A 193 33.870 66.778 13.614 1.00 13.46 C +ATOM 1505 CZ TYR A 193 33.738 67.332 12.350 1.00 14.79 C +ATOM 1506 OH TYR A 193 33.349 68.654 12.248 1.00 11.52 O +ATOM 1507 N TYR A 194 32.525 62.639 14.164 1.00 13.11 N +ATOM 1508 CA TYR A 194 31.190 62.862 14.704 1.00 12.28 C +ATOM 1509 C TYR A 194 30.995 64.120 15.535 1.00 14.21 C +ATOM 1510 O TYR A 194 31.932 64.649 16.132 1.00 13.36 O +ATOM 1511 CB TYR A 194 30.766 61.661 15.551 1.00 12.91 C +ATOM 1512 CG TYR A 194 30.631 60.373 14.782 1.00 12.82 C +ATOM 1513 CD1 TYR A 194 31.754 59.627 14.421 1.00 10.81 C +ATOM 1514 CD2 TYR A 194 29.375 59.897 14.414 1.00 12.79 C +ATOM 1515 CE1 TYR A 194 31.626 58.434 13.712 1.00 12.64 C +ATOM 1516 CE2 TYR A 194 29.235 58.708 13.708 1.00 14.15 C +ATOM 1517 CZ TYR A 194 30.362 57.981 13.360 1.00 12.48 C +ATOM 1518 OH TYR A 194 30.211 56.808 12.663 1.00 13.56 O +ATOM 1519 N VAL A 195 29.748 64.578 15.586 1.00 13.17 N +ATOM 1520 CA VAL A 195 29.397 65.764 16.363 1.00 13.16 C +ATOM 1521 C VAL A 195 28.165 65.491 17.213 1.00 14.08 C +ATOM 1522 O VAL A 195 27.085 65.211 16.685 1.00 14.86 O +ATOM 1523 CB VAL A 195 29.120 66.978 15.441 1.00 11.86 C +ATOM 1524 CG1 VAL A 195 28.435 68.098 16.227 1.00 10.18 C +ATOM 1525 CG2 VAL A 195 30.438 67.484 14.851 1.00 9.87 C +ATOM 1526 N ASP A 196 28.341 65.544 18.530 1.00 14.70 N +ATOM 1527 CA ASP A 196 27.242 65.325 19.468 1.00 14.40 C +ATOM 1528 C ASP A 196 26.625 66.677 19.782 1.00 14.93 C +ATOM 1529 O ASP A 196 27.341 67.661 19.965 1.00 14.70 O +ATOM 1530 CB ASP A 196 27.731 64.714 20.786 1.00 14.91 C +ATOM 1531 CG ASP A 196 28.254 63.304 20.631 1.00 15.15 C +ATOM 1532 OD1 ASP A 196 27.622 62.498 19.915 1.00 15.24 O +ATOM 1533 OD2 ASP A 196 29.296 62.993 21.251 1.00 14.23 O +ATOM 1534 N SER A 197 25.299 66.723 19.844 1.00 15.15 N +ATOM 1535 CA SER A 197 24.604 67.965 20.150 1.00 14.97 C +ATOM 1536 C SER A 197 23.375 67.700 21.002 1.00 14.55 C +ATOM 1537 O SER A 197 22.783 66.619 20.939 1.00 13.68 O +ATOM 1538 CB SER A 197 24.162 68.665 18.860 1.00 15.73 C +ATOM 1539 OG SER A 197 25.236 68.817 17.951 1.00 20.29 O +ATOM 1540 N LYS A 198 23.011 68.691 21.809 1.00 13.24 N +ATOM 1541 CA LYS A 198 21.823 68.619 22.644 1.00 12.33 C +ATOM 1542 C LYS A 198 21.254 70.026 22.707 1.00 13.29 C +ATOM 1543 O LYS A 198 21.850 70.935 23.289 1.00 13.16 O +ATOM 1544 CB LYS A 198 22.135 68.109 24.049 1.00 11.04 C +ATOM 1545 CG LYS A 198 20.899 68.056 24.945 1.00 13.54 C +ATOM 1546 CD LYS A 198 21.125 67.217 26.185 1.00 17.25 C +ATOM 1547 CE LYS A 198 19.954 67.339 27.155 1.00 19.46 C +ATOM 1548 NZ LYS A 198 18.611 67.303 26.492 1.00 20.82 N +ATOM 1549 N LEU A 199 20.096 70.202 22.090 1.00 13.31 N +ATOM 1550 CA LEU A 199 19.451 71.506 22.040 1.00 14.16 C +ATOM 1551 C LEU A 199 18.229 71.521 22.942 1.00 15.51 C +ATOM 1552 O LEU A 199 17.366 70.648 22.838 1.00 16.89 O +ATOM 1553 CB LEU A 199 19.062 71.804 20.590 1.00 12.03 C +ATOM 1554 CG LEU A 199 18.615 73.198 20.148 1.00 13.03 C +ATOM 1555 CD1 LEU A 199 18.723 73.283 18.633 1.00 13.45 C +ATOM 1556 CD2 LEU A 199 17.201 73.485 20.615 1.00 12.59 C +ATOM 1557 N ASP A 200 18.169 72.501 23.839 1.00 15.51 N +ATOM 1558 CA ASP A 200 17.040 72.623 24.759 1.00 15.50 C +ATOM 1559 C ASP A 200 16.331 73.961 24.578 1.00 15.74 C +ATOM 1560 O ASP A 200 16.978 74.987 24.341 1.00 12.71 O +ATOM 1561 CB ASP A 200 17.499 72.553 26.224 1.00 17.37 C +ATOM 1562 CG ASP A 200 18.443 71.393 26.508 1.00 18.95 C +ATOM 1563 OD1 ASP A 200 18.120 70.235 26.167 1.00 20.09 O +ATOM 1564 OD2 ASP A 200 19.514 71.651 27.097 1.00 18.14 O +ATOM 1565 N ILE A 201 15.005 73.941 24.694 1.00 14.95 N +ATOM 1566 CA ILE A 201 14.202 75.155 24.620 1.00 16.99 C +ATOM 1567 C ILE A 201 14.184 75.620 26.077 1.00 17.43 C +ATOM 1568 O ILE A 201 13.551 74.988 26.925 1.00 18.35 O +ATOM 1569 CB ILE A 201 12.746 74.861 24.168 1.00 15.24 C +ATOM 1570 CG1 ILE A 201 12.737 74.277 22.749 1.00 16.09 C +ATOM 1571 CG2 ILE A 201 11.912 76.131 24.246 1.00 18.18 C +ATOM 1572 CD1 ILE A 201 13.362 75.174 21.700 1.00 16.44 C +ATOM 1573 N THR A 202 14.879 76.716 26.370 1.00 17.34 N +ATOM 1574 CA THR A 202 14.970 77.205 27.742 1.00 16.52 C +ATOM 1575 C THR A 202 13.814 78.069 28.227 1.00 17.16 C +ATOM 1576 O THR A 202 13.588 78.182 29.430 1.00 14.80 O +ATOM 1577 CB THR A 202 16.283 77.974 27.962 1.00 18.06 C +ATOM 1578 OG1 THR A 202 16.409 79.009 26.980 1.00 18.91 O +ATOM 1579 CG2 THR A 202 17.469 77.033 27.851 1.00 16.33 C +ATOM 1580 N SER A 203 13.087 78.680 27.302 1.00 15.15 N +ATOM 1581 CA SER A 203 11.958 79.518 27.678 1.00 16.77 C +ATOM 1582 C SER A 203 11.094 79.771 26.457 1.00 15.57 C +ATOM 1583 O SER A 203 11.552 79.632 25.326 1.00 14.78 O +ATOM 1584 CB SER A 203 12.444 80.849 28.261 1.00 17.86 C +ATOM 1585 OG SER A 203 13.046 81.654 27.267 1.00 21.50 O +ATOM 1586 N HIS A 204 9.840 80.138 26.690 1.00 16.58 N +ATOM 1587 CA HIS A 204 8.911 80.393 25.601 1.00 17.06 C +ATOM 1588 C HIS A 204 7.604 80.931 26.156 1.00 17.24 C +ATOM 1589 O HIS A 204 7.169 80.508 27.228 1.00 16.97 O +ATOM 1590 CB HIS A 204 8.631 79.087 24.843 1.00 16.94 C +ATOM 1591 CG HIS A 204 7.934 78.046 25.669 1.00 15.13 C +ATOM 1592 ND1 HIS A 204 6.572 78.056 25.888 1.00 13.67 N +ATOM 1593 CD2 HIS A 204 8.417 76.987 26.364 1.00 15.01 C +ATOM 1594 CE1 HIS A 204 6.248 77.053 26.684 1.00 13.05 C +ATOM 1595 NE2 HIS A 204 7.348 76.389 26.988 1.00 13.05 N +ATOM 1596 N ASN A 205 6.985 81.875 25.453 1.00 16.36 N +ATOM 1597 CA ASN A 205 5.697 82.369 25.917 1.00 17.80 C +ATOM 1598 C ASN A 205 4.648 81.349 25.489 1.00 19.84 C +ATOM 1599 O ASN A 205 4.980 80.323 24.893 1.00 19.85 O +ATOM 1600 CB ASN A 205 5.364 83.759 25.355 1.00 16.34 C +ATOM 1601 CG ASN A 205 5.661 83.897 23.875 1.00 15.65 C +ATOM 1602 OD1 ASN A 205 5.823 82.910 23.156 1.00 15.19 O +ATOM 1603 ND2 ASN A 205 5.719 85.143 23.408 1.00 17.63 N +ATOM 1604 N GLU A 206 3.385 81.631 25.780 1.00 20.70 N +ATOM 1605 CA GLU A 206 2.305 80.708 25.466 1.00 23.70 C +ATOM 1606 C GLU A 206 2.158 80.312 23.994 1.00 22.87 C +ATOM 1607 O GLU A 206 1.890 79.146 23.695 1.00 21.20 O +ATOM 1608 CB GLU A 206 0.980 81.282 25.985 1.00 28.70 C +ATOM 1609 CG GLU A 206 -0.123 80.253 26.229 1.00 35.34 C +ATOM 1610 CD GLU A 206 -0.628 79.604 24.956 1.00 39.22 C +ATOM 1611 OE1 GLU A 206 -1.021 80.342 24.026 1.00 42.73 O +ATOM 1612 OE2 GLU A 206 -0.639 78.355 24.887 1.00 41.96 O +ATOM 1613 N ASP A 207 2.337 81.257 23.074 1.00 20.81 N +ATOM 1614 CA ASP A 207 2.171 80.939 21.657 1.00 20.34 C +ATOM 1615 C ASP A 207 3.458 80.761 20.858 1.00 19.06 C +ATOM 1616 O ASP A 207 3.424 80.685 19.628 1.00 18.59 O +ATOM 1617 CB ASP A 207 1.286 81.995 20.981 1.00 20.70 C +ATOM 1618 CG ASP A 207 1.902 83.387 20.999 1.00 21.44 C +ATOM 1619 OD1 ASP A 207 3.046 83.542 21.469 1.00 20.92 O +ATOM 1620 OD2 ASP A 207 1.234 84.333 20.533 1.00 22.52 O +ATOM 1621 N TYR A 208 4.583 80.672 21.556 1.00 17.14 N +ATOM 1622 CA TYR A 208 5.885 80.499 20.917 1.00 18.13 C +ATOM 1623 C TYR A 208 6.274 81.592 19.924 1.00 18.89 C +ATOM 1624 O TYR A 208 6.780 81.301 18.838 1.00 20.43 O +ATOM 1625 CB TYR A 208 5.971 79.136 20.219 1.00 16.77 C +ATOM 1626 CG TYR A 208 6.132 77.984 21.183 1.00 17.90 C +ATOM 1627 CD1 TYR A 208 5.042 77.492 21.899 1.00 17.98 C +ATOM 1628 CD2 TYR A 208 7.387 77.423 21.422 1.00 16.13 C +ATOM 1629 CE1 TYR A 208 5.198 76.469 22.836 1.00 17.59 C +ATOM 1630 CE2 TYR A 208 7.554 76.402 22.354 1.00 18.33 C +ATOM 1631 CZ TYR A 208 6.455 75.932 23.057 1.00 18.43 C +ATOM 1632 OH TYR A 208 6.614 74.930 23.991 1.00 21.68 O +ATOM 1633 N THR A 209 6.032 82.845 20.291 1.00 17.67 N +ATOM 1634 CA THR A 209 6.408 83.969 19.442 1.00 17.20 C +ATOM 1635 C THR A 209 7.702 84.569 19.997 1.00 16.99 C +ATOM 1636 O THR A 209 8.359 85.382 19.350 1.00 17.70 O +ATOM 1637 CB THR A 209 5.303 85.035 19.395 1.00 17.46 C +ATOM 1638 OG1 THR A 209 4.780 85.246 20.714 1.00 17.76 O +ATOM 1639 CG2 THR A 209 4.184 84.589 18.460 1.00 16.78 C +ATOM 1640 N ILE A 210 8.056 84.150 21.209 1.00 17.15 N +ATOM 1641 CA ILE A 210 9.291 84.578 21.870 1.00 16.77 C +ATOM 1642 C ILE A 210 9.855 83.312 22.509 1.00 17.03 C +ATOM 1643 O ILE A 210 9.270 82.765 23.441 1.00 14.95 O +ATOM 1644 CB ILE A 210 9.032 85.637 22.958 1.00 18.71 C +ATOM 1645 CG1 ILE A 210 8.505 86.925 22.313 1.00 20.53 C +ATOM 1646 CG2 ILE A 210 10.313 85.919 23.725 1.00 17.78 C +ATOM 1647 CD1 ILE A 210 8.269 88.052 23.299 1.00 22.90 C +ATOM 1648 N VAL A 211 10.989 82.848 21.996 1.00 16.69 N +ATOM 1649 CA VAL A 211 11.595 81.613 22.479 1.00 16.33 C +ATOM 1650 C VAL A 211 13.103 81.742 22.673 1.00 16.51 C +ATOM 1651 O VAL A 211 13.771 82.460 21.934 1.00 15.36 O +ATOM 1652 CB VAL A 211 11.334 80.465 21.464 1.00 17.29 C +ATOM 1653 CG1 VAL A 211 11.817 79.137 22.025 1.00 17.75 C +ATOM 1654 CG2 VAL A 211 9.853 80.409 21.102 1.00 16.67 C +ATOM 1655 N GLU A 212 13.634 81.046 23.674 1.00 16.76 N +ATOM 1656 CA GLU A 212 15.071 81.062 23.930 1.00 16.80 C +ATOM 1657 C GLU A 212 15.573 79.630 23.827 1.00 15.72 C +ATOM 1658 O GLU A 212 14.871 78.696 24.216 1.00 13.98 O +ATOM 1659 CB GLU A 212 15.381 81.634 25.318 1.00 19.41 C +ATOM 1660 CG GLU A 212 14.906 83.068 25.507 1.00 25.33 C +ATOM 1661 CD GLU A 212 15.505 83.738 26.734 1.00 27.99 C +ATOM 1662 OE1 GLU A 212 15.541 83.107 27.812 1.00 31.73 O +ATOM 1663 OE2 GLU A 212 15.929 84.906 26.623 1.00 30.14 O +ATOM 1664 N GLN A 213 16.781 79.454 23.297 1.00 15.84 N +ATOM 1665 CA GLN A 213 17.336 78.116 23.131 1.00 15.61 C +ATOM 1666 C GLN A 213 18.769 78.018 23.626 1.00 16.10 C +ATOM 1667 O GLN A 213 19.487 79.015 23.706 1.00 14.70 O +ATOM 1668 CB GLN A 213 17.306 77.710 21.653 1.00 15.57 C +ATOM 1669 CG GLN A 213 15.958 77.881 20.968 1.00 14.80 C +ATOM 1670 CD GLN A 213 16.001 77.504 19.497 1.00 12.87 C +ATOM 1671 OE1 GLN A 213 14.983 77.530 18.808 1.00 15.54 O +ATOM 1672 NE2 GLN A 213 17.186 77.151 19.010 1.00 12.67 N +ATOM 1673 N TYR A 214 19.175 76.801 23.962 1.00 14.30 N +ATOM 1674 CA TYR A 214 20.531 76.537 24.418 1.00 14.48 C +ATOM 1675 C TYR A 214 21.009 75.271 23.731 1.00 13.85 C +ATOM 1676 O TYR A 214 20.280 74.282 23.673 1.00 12.99 O +ATOM 1677 CB TYR A 214 20.576 76.311 25.926 1.00 17.30 C +ATOM 1678 CG TYR A 214 21.884 75.700 26.381 1.00 21.34 C +ATOM 1679 CD1 TYR A 214 23.038 76.473 26.493 1.00 22.45 C +ATOM 1680 CD2 TYR A 214 21.975 74.338 26.665 1.00 22.63 C +ATOM 1681 CE1 TYR A 214 24.252 75.907 26.878 1.00 24.48 C +ATOM 1682 CE2 TYR A 214 23.182 73.762 27.048 1.00 24.30 C +ATOM 1683 CZ TYR A 214 24.316 74.551 27.154 1.00 24.25 C +ATOM 1684 OH TYR A 214 25.511 73.986 27.535 1.00 26.16 O +ATOM 1685 N GLU A 215 22.232 75.299 23.221 1.00 13.09 N +ATOM 1686 CA GLU A 215 22.792 74.130 22.559 1.00 14.21 C +ATOM 1687 C GLU A 215 24.237 73.847 22.947 1.00 14.43 C +ATOM 1688 O GLU A 215 25.073 74.755 22.991 1.00 14.35 O +ATOM 1689 CB GLU A 215 22.728 74.287 21.036 1.00 13.69 C +ATOM 1690 CG GLU A 215 23.530 73.216 20.275 1.00 15.82 C +ATOM 1691 CD GLU A 215 23.775 73.583 18.812 1.00 19.50 C +ATOM 1692 OE1 GLU A 215 24.081 74.765 18.540 1.00 18.51 O +ATOM 1693 OE2 GLU A 215 23.679 72.689 17.940 1.00 19.44 O +ATOM 1694 N ARG A 216 24.523 72.583 23.242 1.00 14.21 N +ATOM 1695 CA ARG A 216 25.884 72.171 23.543 1.00 14.02 C +ATOM 1696 C ARG A 216 26.229 71.252 22.383 1.00 15.49 C +ATOM 1697 O ARG A 216 25.471 70.331 22.069 1.00 13.98 O +ATOM 1698 CB ARG A 216 25.981 71.384 24.854 1.00 16.18 C +ATOM 1699 CG ARG A 216 27.392 70.847 25.083 1.00 18.21 C +ATOM 1700 CD ARG A 216 27.556 70.089 26.393 1.00 22.40 C +ATOM 1701 NE ARG A 216 28.832 69.379 26.423 1.00 23.75 N +ATOM 1702 CZ ARG A 216 29.129 68.395 27.268 1.00 23.10 C +ATOM 1703 NH1 ARG A 216 28.239 67.990 28.165 1.00 22.54 N +ATOM 1704 NH2 ARG A 216 30.320 67.812 27.211 1.00 23.09 N +ATOM 1705 N THR A 217 27.358 71.496 21.734 1.00 14.67 N +ATOM 1706 CA THR A 217 27.739 70.659 20.606 1.00 15.44 C +ATOM 1707 C THR A 217 29.253 70.568 20.509 1.00 15.44 C +ATOM 1708 O THR A 217 29.955 71.580 20.540 1.00 15.92 O +ATOM 1709 CB THR A 217 27.120 71.208 19.294 1.00 14.86 C +ATOM 1710 OG1 THR A 217 27.594 70.449 18.171 1.00 17.12 O +ATOM 1711 CG2 THR A 217 27.464 72.667 19.117 1.00 15.13 C +ATOM 1712 N GLU A 218 29.748 69.337 20.425 1.00 16.87 N +ATOM 1713 CA GLU A 218 31.179 69.076 20.351 1.00 15.77 C +ATOM 1714 C GLU A 218 31.483 67.983 19.334 1.00 15.75 C +ATOM 1715 O GLU A 218 30.729 67.019 19.200 1.00 14.16 O +ATOM 1716 CB GLU A 218 31.710 68.630 21.723 1.00 18.16 C +ATOM 1717 CG GLU A 218 31.688 69.698 22.808 1.00 25.20 C +ATOM 1718 CD GLU A 218 32.063 69.144 24.177 1.00 27.88 C +ATOM 1719 OE1 GLU A 218 33.075 68.417 24.267 1.00 28.48 O +ATOM 1720 OE2 GLU A 218 31.350 69.438 25.162 1.00 29.23 O +ATOM 1721 N GLY A 219 32.596 68.139 18.626 1.00 15.62 N +ATOM 1722 CA GLY A 219 32.995 67.147 17.645 1.00 15.71 C +ATOM 1723 C GLY A 219 33.989 66.189 18.267 1.00 16.18 C +ATOM 1724 O GLY A 219 34.662 66.533 19.242 1.00 15.46 O +ATOM 1725 N ARG A 220 34.099 64.992 17.704 1.00 16.07 N +ATOM 1726 CA ARG A 220 35.015 63.987 18.231 1.00 16.39 C +ATOM 1727 C ARG A 220 35.165 62.840 17.246 1.00 16.63 C +ATOM 1728 O ARG A 220 34.377 62.702 16.312 1.00 16.55 O +ATOM 1729 CB ARG A 220 34.459 63.410 19.527 1.00 18.03 C +ATOM 1730 CG ARG A 220 33.122 62.692 19.317 1.00 17.64 C +ATOM 1731 CD ARG A 220 32.625 62.006 20.577 1.00 15.71 C +ATOM 1732 NE ARG A 220 31.256 61.520 20.408 1.00 16.35 N +ATOM 1733 CZ ARG A 220 30.909 60.498 19.630 1.00 17.34 C +ATOM 1734 NH1 ARG A 220 31.833 59.834 18.947 1.00 16.09 N +ATOM 1735 NH2 ARG A 220 29.632 60.160 19.512 1.00 15.78 N +ATOM 1736 N HIS A 221 36.178 62.014 17.468 1.00 16.73 N +ATOM 1737 CA HIS A 221 36.399 60.843 16.634 1.00 16.94 C +ATOM 1738 C HIS A 221 35.452 59.797 17.204 1.00 16.95 C +ATOM 1739 O HIS A 221 34.974 59.939 18.336 1.00 15.74 O +ATOM 1740 CB HIS A 221 37.828 60.314 16.792 1.00 18.04 C +ATOM 1741 CG HIS A 221 38.890 61.230 16.270 1.00 18.73 C +ATOM 1742 ND1 HIS A 221 39.067 61.477 14.925 1.00 19.91 N +ATOM 1743 CD2 HIS A 221 39.871 61.908 16.909 1.00 19.49 C +ATOM 1744 CE1 HIS A 221 40.114 62.265 14.760 1.00 19.97 C +ATOM 1745 NE2 HIS A 221 40.620 62.540 15.948 1.00 18.93 N +ATOM 1746 N HIS A 222 35.174 58.757 16.427 1.00 17.67 N +ATOM 1747 CA HIS A 222 34.325 57.673 16.900 1.00 18.16 C +ATOM 1748 C HIS A 222 35.039 57.180 18.154 1.00 19.91 C +ATOM 1749 O HIS A 222 36.275 57.186 18.197 1.00 18.46 O +ATOM 1750 CB HIS A 222 34.277 56.562 15.847 1.00 17.93 C +ATOM 1751 CG HIS A 222 33.431 55.387 16.232 1.00 19.03 C +ATOM 1752 ND1 HIS A 222 33.834 54.447 17.157 1.00 17.85 N +ATOM 1753 CD2 HIS A 222 32.212 54.986 15.796 1.00 18.06 C +ATOM 1754 CE1 HIS A 222 32.903 53.517 17.270 1.00 18.28 C +ATOM 1755 NE2 HIS A 222 31.909 53.820 16.455 1.00 17.87 N +ATOM 1756 N LEU A 223 34.294 56.759 19.172 1.00 22.19 N +ATOM 1757 CA LEU A 223 34.930 56.284 20.397 1.00 25.07 C +ATOM 1758 C LEU A 223 35.966 55.208 20.076 1.00 29.20 C +ATOM 1759 O LEU A 223 36.461 54.518 20.961 1.00 28.07 O +ATOM 1760 CB LEU A 223 33.881 55.768 21.391 1.00 23.20 C +ATOM 1761 CG LEU A 223 32.885 56.831 21.879 1.00 24.03 C +ATOM 1762 CD1 LEU A 223 32.024 56.272 23.005 1.00 21.60 C +ATOM 1763 CD2 LEU A 223 33.642 58.063 22.356 1.00 22.51 C +ATOM 1764 N PHE A 224 36.286 55.114 18.785 1.00 34.18 N +ATOM 1765 CA PHE A 224 37.272 54.205 18.218 1.00 36.73 C +ATOM 1766 C PHE A 224 37.258 52.808 18.774 1.00 38.07 C +ATOM 1767 O PHE A 224 38.316 52.200 18.952 1.00 36.91 O +ATOM 1768 CB PHE A 224 38.677 54.798 18.356 1.00 37.98 C +ATOM 1769 CG PHE A 224 39.145 55.549 17.139 1.00 38.84 C +ATOM 1770 CD1 PHE A 224 38.399 55.535 15.962 1.00 39.53 C +ATOM 1771 CD2 PHE A 224 40.340 56.260 17.166 1.00 40.77 C +ATOM 1772 CE1 PHE A 224 38.835 56.216 14.831 1.00 40.40 C +ATOM 1773 CE2 PHE A 224 40.788 56.947 16.041 1.00 40.94 C +ATOM 1774 CZ PHE A 224 40.034 56.925 14.870 1.00 41.36 C +ATOM 1775 N LEU A 225 36.057 52.294 19.023 1.00 39.27 N +ATOM 1776 CA LEU A 225 35.904 50.950 19.557 1.00 42.64 C +ATOM 1777 C LEU A 225 36.671 49.951 18.695 1.00 44.59 C +ATOM 1778 O LEU A 225 37.730 49.460 19.151 1.00 45.60 O +ATOM 1779 CB LEU A 225 34.425 50.551 19.603 1.00 40.40 C +ATOM 1780 CG LEU A 225 33.470 51.351 20.488 1.00 40.14 C +ATOM 1781 CD1 LEU A 225 32.274 50.470 20.805 1.00 38.03 C +ATOM 1782 CD2 LEU A 225 34.147 51.773 21.775 1.00 40.08 C +ATOM 1783 OXT LEU A 225 36.202 49.685 17.569 1.00 46.90 O +TER 1784 LEU A 225 +ATOM 1785 N VAL B 7 22.045 30.394 30.668 1.00 33.19 N +ATOM 1786 CA VAL B 7 21.737 30.516 29.216 1.00 32.61 C +ATOM 1787 C VAL B 7 22.888 31.191 28.467 1.00 31.21 C +ATOM 1788 O VAL B 7 23.606 30.541 27.711 1.00 31.49 O +ATOM 1789 CB VAL B 7 20.436 31.325 28.995 1.00 33.50 C +ATOM 1790 CG1 VAL B 7 20.180 31.511 27.510 1.00 33.94 C +ATOM 1791 CG2 VAL B 7 19.262 30.602 29.644 1.00 34.45 C +ATOM 1792 N ILE B 8 23.065 32.489 28.685 1.00 30.69 N +ATOM 1793 CA ILE B 8 24.133 33.237 28.027 1.00 29.82 C +ATOM 1794 C ILE B 8 25.383 33.295 28.903 1.00 28.92 C +ATOM 1795 O ILE B 8 25.476 34.106 29.827 1.00 28.01 O +ATOM 1796 CB ILE B 8 23.668 34.668 27.691 1.00 30.36 C +ATOM 1797 CG1 ILE B 8 22.474 34.599 26.732 1.00 29.70 C +ATOM 1798 CG2 ILE B 8 24.815 35.466 27.077 1.00 29.87 C +ATOM 1799 CD1 ILE B 8 21.854 35.939 26.416 1.00 30.32 C +ATOM 1800 N LYS B 9 26.343 32.428 28.598 1.00 28.82 N +ATOM 1801 CA LYS B 9 27.588 32.347 29.351 1.00 27.80 C +ATOM 1802 C LYS B 9 28.589 33.429 28.951 1.00 27.52 C +ATOM 1803 O LYS B 9 28.449 34.069 27.905 1.00 25.24 O +ATOM 1804 CB LYS B 9 28.218 30.966 29.151 1.00 29.88 C +ATOM 1805 CG LYS B 9 27.240 29.804 29.299 1.00 31.21 C +ATOM 1806 CD LYS B 9 26.558 29.804 30.658 1.00 33.81 C +ATOM 1807 CE LYS B 9 25.543 28.672 30.762 1.00 34.74 C +ATOM 1808 NZ LYS B 9 24.804 28.695 32.058 1.00 35.95 N +ATOM 1809 N GLU B 10 29.601 33.625 29.794 1.00 26.38 N +ATOM 1810 CA GLU B 10 30.637 34.622 29.544 1.00 26.30 C +ATOM 1811 C GLU B 10 31.287 34.404 28.180 1.00 24.50 C +ATOM 1812 O GLU B 10 31.749 35.352 27.547 1.00 23.75 O +ATOM 1813 CB GLU B 10 31.681 34.581 30.668 1.00 29.55 C +ATOM 1814 CG GLU B 10 31.178 35.209 31.970 1.00 35.59 C +ATOM 1815 CD GLU B 10 32.047 34.888 33.176 1.00 38.41 C +ATOM 1816 OE1 GLU B 10 33.280 35.090 33.107 1.00 41.71 O +ATOM 1817 OE2 GLU B 10 31.489 34.440 34.201 1.00 39.77 O +ATOM 1818 N PHE B 11 31.316 33.149 27.738 1.00 22.81 N +ATOM 1819 CA PHE B 11 31.865 32.790 26.434 1.00 22.53 C +ATOM 1820 C PHE B 11 30.797 31.993 25.700 1.00 22.92 C +ATOM 1821 O PHE B 11 30.287 31.004 26.225 1.00 21.26 O +ATOM 1822 CB PHE B 11 33.116 31.920 26.571 1.00 22.64 C +ATOM 1823 CG PHE B 11 33.671 31.457 25.252 1.00 22.83 C +ATOM 1824 CD1 PHE B 11 34.337 32.345 24.412 1.00 23.34 C +ATOM 1825 CD2 PHE B 11 33.494 30.140 24.831 1.00 23.65 C +ATOM 1826 CE1 PHE B 11 34.820 31.930 23.168 1.00 22.33 C +ATOM 1827 CE2 PHE B 11 33.971 29.712 23.592 1.00 22.79 C +ATOM 1828 CZ PHE B 11 34.635 30.610 22.758 1.00 22.84 C +ATOM 1829 N MET B 12 30.470 32.415 24.483 1.00 22.83 N +ATOM 1830 CA MET B 12 29.445 31.743 23.690 1.00 22.97 C +ATOM 1831 C MET B 12 29.843 31.634 22.227 1.00 23.20 C +ATOM 1832 O MET B 12 30.421 32.561 21.661 1.00 21.76 O +ATOM 1833 CB MET B 12 28.124 32.513 23.776 1.00 22.83 C +ATOM 1834 CG MET B 12 27.447 32.479 25.131 1.00 25.15 C +ATOM 1835 SD MET B 12 26.853 30.832 25.537 1.00 25.84 S +ATOM 1836 CE MET B 12 25.230 30.852 24.742 1.00 26.40 C +ATOM 1837 N ARG B 13 29.520 30.502 21.612 1.00 22.21 N +ATOM 1838 CA ARG B 13 29.822 30.302 20.203 1.00 22.59 C +ATOM 1839 C ARG B 13 28.521 30.355 19.419 1.00 21.65 C +ATOM 1840 O ARG B 13 27.436 30.312 20.004 1.00 18.37 O +ATOM 1841 CB ARG B 13 30.482 28.941 19.976 1.00 26.80 C +ATOM 1842 CG ARG B 13 31.779 28.742 20.728 1.00 29.38 C +ATOM 1843 CD ARG B 13 32.603 27.633 20.097 1.00 34.38 C +ATOM 1844 NE ARG B 13 31.861 26.380 19.992 1.00 39.56 N +ATOM 1845 CZ ARG B 13 32.349 25.265 19.453 1.00 42.16 C +ATOM 1846 NH1 ARG B 13 33.585 25.245 18.967 1.00 43.64 N +ATOM 1847 NH2 ARG B 13 31.602 24.169 19.401 1.00 42.49 N +ATOM 1848 N PHE B 14 28.628 30.462 18.099 1.00 19.70 N +ATOM 1849 CA PHE B 14 27.440 30.480 17.260 1.00 20.23 C +ATOM 1850 C PHE B 14 27.710 29.932 15.864 1.00 20.48 C +ATOM 1851 O PHE B 14 28.852 29.894 15.402 1.00 19.98 O +ATOM 1852 CB PHE B 14 26.834 31.899 17.201 1.00 19.37 C +ATOM 1853 CG PHE B 14 27.656 32.912 16.438 1.00 19.93 C +ATOM 1854 CD1 PHE B 14 27.550 33.019 15.055 1.00 20.02 C +ATOM 1855 CD2 PHE B 14 28.487 33.803 17.111 1.00 20.89 C +ATOM 1856 CE1 PHE B 14 28.254 34.005 14.351 1.00 19.78 C +ATOM 1857 CE2 PHE B 14 29.196 34.790 16.416 1.00 20.77 C +ATOM 1858 CZ PHE B 14 29.075 34.888 15.032 1.00 18.17 C +ATOM 1859 N LYS B 15 26.647 29.471 15.214 1.00 19.84 N +ATOM 1860 CA LYS B 15 26.735 28.931 13.870 1.00 19.26 C +ATOM 1861 C LYS B 15 25.772 29.762 13.045 1.00 18.04 C +ATOM 1862 O LYS B 15 24.710 30.146 13.533 1.00 15.90 O +ATOM 1863 CB LYS B 15 26.312 27.457 13.856 1.00 22.09 C +ATOM 1864 CG LYS B 15 27.133 26.585 14.791 1.00 27.99 C +ATOM 1865 CD LYS B 15 26.726 25.117 14.717 1.00 32.50 C +ATOM 1866 CE LYS B 15 27.602 24.264 15.633 1.00 34.32 C +ATOM 1867 NZ LYS B 15 27.221 22.820 15.609 1.00 36.59 N +ATOM 1868 N VAL B 16 26.141 30.050 11.804 1.00 16.93 N +ATOM 1869 CA VAL B 16 25.284 30.859 10.956 1.00 16.91 C +ATOM 1870 C VAL B 16 25.215 30.352 9.531 1.00 17.25 C +ATOM 1871 O VAL B 16 26.180 29.795 8.999 1.00 16.33 O +ATOM 1872 CB VAL B 16 25.770 32.333 10.930 1.00 18.26 C +ATOM 1873 CG1 VAL B 16 27.212 32.397 10.442 1.00 16.01 C +ATOM 1874 CG2 VAL B 16 24.868 33.169 10.032 1.00 16.13 C +ATOM 1875 N ARG B 17 24.057 30.545 8.916 1.00 17.49 N +ATOM 1876 CA ARG B 17 23.857 30.147 7.537 1.00 18.28 C +ATOM 1877 C ARG B 17 23.055 31.231 6.831 1.00 18.43 C +ATOM 1878 O ARG B 17 22.026 31.681 7.336 1.00 18.06 O +ATOM 1879 CB ARG B 17 23.113 28.817 7.463 1.00 21.34 C +ATOM 1880 CG ARG B 17 22.774 28.396 6.045 1.00 27.76 C +ATOM 1881 CD ARG B 17 22.555 26.894 5.951 1.00 31.91 C +ATOM 1882 NE ARG B 17 22.199 26.487 4.595 1.00 35.99 N +ATOM 1883 CZ ARG B 17 21.011 26.704 4.042 1.00 38.73 C +ATOM 1884 NH1 ARG B 17 20.061 27.322 4.734 1.00 40.33 N +ATOM 1885 NH2 ARG B 17 20.775 26.313 2.795 1.00 42.08 N +ATOM 1886 N MET B 18 23.538 31.657 5.672 1.00 17.65 N +ATOM 1887 CA MET B 18 22.847 32.680 4.901 1.00 16.78 C +ATOM 1888 C MET B 18 22.500 32.204 3.508 1.00 14.48 C +ATOM 1889 O MET B 18 23.316 31.588 2.827 1.00 17.73 O +ATOM 1890 CB MET B 18 23.696 33.953 4.762 1.00 14.38 C +ATOM 1891 CG MET B 18 23.094 34.965 3.769 1.00 14.29 C +ATOM 1892 SD MET B 18 24.176 36.358 3.324 1.00 15.44 S +ATOM 1893 CE MET B 18 23.954 37.414 4.754 1.00 18.36 C +ATOM 1894 N GLU B 19 21.272 32.495 3.100 1.00 15.20 N +ATOM 1895 CA GLU B 19 20.791 32.178 1.768 1.00 15.85 C +ATOM 1896 C GLU B 19 20.549 33.561 1.195 1.00 14.57 C +ATOM 1897 O GLU B 19 19.723 34.315 1.721 1.00 15.05 O +ATOM 1898 CB GLU B 19 19.470 31.409 1.827 1.00 18.38 C +ATOM 1899 CG GLU B 19 19.625 29.910 2.008 1.00 23.93 C +ATOM 1900 CD GLU B 19 18.307 29.222 2.320 1.00 26.61 C +ATOM 1901 OE1 GLU B 19 17.261 29.653 1.784 1.00 26.38 O +ATOM 1902 OE2 GLU B 19 18.319 28.240 3.090 1.00 28.56 O +ATOM 1903 N GLY B 20 21.264 33.911 0.133 1.00 14.58 N +ATOM 1904 CA GLY B 20 21.074 35.235 -0.430 1.00 13.44 C +ATOM 1905 C GLY B 20 21.052 35.332 -1.937 1.00 14.66 C +ATOM 1906 O GLY B 20 21.317 34.361 -2.649 1.00 13.10 O +ATOM 1907 N THR B 21 20.711 36.527 -2.411 1.00 14.97 N +ATOM 1908 CA THR B 21 20.654 36.839 -3.832 1.00 15.24 C +ATOM 1909 C THR B 21 20.998 38.325 -3.983 1.00 13.54 C +ATOM 1910 O THR B 21 20.566 39.166 -3.190 1.00 12.01 O +ATOM 1911 CB THR B 21 19.246 36.593 -4.417 1.00 17.05 C +ATOM 1912 OG1 THR B 21 18.832 35.245 -4.148 1.00 20.15 O +ATOM 1913 CG2 THR B 21 19.258 36.810 -5.917 1.00 18.89 C +ATOM 1914 N VAL B 22 21.815 38.636 -4.977 1.00 14.01 N +ATOM 1915 CA VAL B 22 22.207 40.011 -5.250 1.00 13.24 C +ATOM 1916 C VAL B 22 22.215 40.170 -6.762 1.00 14.17 C +ATOM 1917 O VAL B 22 22.899 39.418 -7.465 1.00 14.04 O +ATOM 1918 CB VAL B 22 23.620 40.320 -4.704 1.00 13.75 C +ATOM 1919 CG1 VAL B 22 24.147 41.621 -5.317 1.00 11.82 C +ATOM 1920 CG2 VAL B 22 23.574 40.438 -3.186 1.00 12.08 C +ATOM 1921 N ASN B 23 21.444 41.131 -7.261 1.00 14.43 N +ATOM 1922 CA ASN B 23 21.370 41.376 -8.694 1.00 14.89 C +ATOM 1923 C ASN B 23 21.225 40.082 -9.493 1.00 15.34 C +ATOM 1924 O ASN B 23 21.927 39.865 -10.484 1.00 13.05 O +ATOM 1925 CB ASN B 23 22.609 42.158 -9.158 1.00 17.38 C +ATOM 1926 CG ASN B 23 22.445 43.666 -8.997 1.00 18.75 C +ATOM 1927 OD1 ASN B 23 21.612 44.135 -8.215 1.00 18.20 O +ATOM 1928 ND2 ASN B 23 23.248 44.432 -9.734 1.00 17.59 N +ATOM 1929 N GLY B 24 20.322 39.216 -9.038 1.00 15.21 N +ATOM 1930 CA GLY B 24 20.062 37.968 -9.735 1.00 17.90 C +ATOM 1931 C GLY B 24 21.017 36.815 -9.489 1.00 19.10 C +ATOM 1932 O GLY B 24 20.819 35.727 -10.031 1.00 20.22 O +ATOM 1933 N HIS B 25 22.047 37.043 -8.683 1.00 17.53 N +ATOM 1934 CA HIS B 25 23.024 36.003 -8.383 1.00 17.17 C +ATOM 1935 C HIS B 25 22.715 35.344 -7.048 1.00 17.34 C +ATOM 1936 O HIS B 25 22.735 36.008 -6.008 1.00 17.01 O +ATOM 1937 CB HIS B 25 24.432 36.603 -8.329 1.00 16.78 C +ATOM 1938 CG HIS B 25 25.515 35.583 -8.170 1.00 17.77 C +ATOM 1939 ND1 HIS B 25 25.953 34.795 -9.214 1.00 18.44 N +ATOM 1940 CD2 HIS B 25 26.224 35.197 -7.083 1.00 17.36 C +ATOM 1941 CE1 HIS B 25 26.885 33.966 -8.775 1.00 19.58 C +ATOM 1942 NE2 HIS B 25 27.068 34.189 -7.485 1.00 17.44 N +ATOM 1943 N GLU B 26 22.434 34.043 -7.078 1.00 16.37 N +ATOM 1944 CA GLU B 26 22.134 33.291 -5.863 1.00 17.53 C +ATOM 1945 C GLU B 26 23.401 32.739 -5.233 1.00 17.36 C +ATOM 1946 O GLU B 26 24.351 32.380 -5.935 1.00 15.93 O +ATOM 1947 CB GLU B 26 21.176 32.133 -6.160 1.00 21.01 C +ATOM 1948 CG GLU B 26 19.744 32.557 -6.429 1.00 25.60 C +ATOM 1949 CD GLU B 26 18.776 31.393 -6.349 1.00 29.95 C +ATOM 1950 OE1 GLU B 26 19.242 30.233 -6.314 1.00 30.66 O +ATOM 1951 OE2 GLU B 26 17.549 31.637 -6.318 1.00 31.81 O +ATOM 1952 N PHE B 27 23.403 32.663 -3.905 1.00 16.46 N +ATOM 1953 CA PHE B 27 24.551 32.164 -3.165 1.00 17.02 C +ATOM 1954 C PHE B 27 24.146 31.695 -1.769 1.00 16.62 C +ATOM 1955 O PHE B 27 23.046 31.987 -1.296 1.00 18.19 O +ATOM 1956 CB PHE B 27 25.632 33.259 -3.074 1.00 16.52 C +ATOM 1957 CG PHE B 27 25.182 34.514 -2.358 1.00 16.29 C +ATOM 1958 CD1 PHE B 27 25.322 34.633 -0.977 1.00 15.34 C +ATOM 1959 CD2 PHE B 27 24.612 35.571 -3.068 1.00 14.88 C +ATOM 1960 CE1 PHE B 27 24.902 35.782 -0.308 1.00 14.07 C +ATOM 1961 CE2 PHE B 27 24.188 36.726 -2.409 1.00 14.19 C +ATOM 1962 CZ PHE B 27 24.333 36.831 -1.024 1.00 12.58 C +ATOM 1963 N GLU B 28 25.032 30.942 -1.126 1.00 18.11 N +ATOM 1964 CA GLU B 28 24.797 30.439 0.219 1.00 17.32 C +ATOM 1965 C GLU B 28 26.097 30.502 1.004 1.00 17.07 C +ATOM 1966 O GLU B 28 27.172 30.265 0.460 1.00 16.62 O +ATOM 1967 CB GLU B 28 24.279 29.002 0.178 1.00 22.59 C +ATOM 1968 CG GLU B 28 22.864 28.883 -0.362 1.00 27.74 C +ATOM 1969 CD GLU B 28 22.406 27.442 -0.478 1.00 31.95 C +ATOM 1970 OE1 GLU B 28 22.562 26.688 0.508 1.00 33.93 O +ATOM 1971 OE2 GLU B 28 21.885 27.069 -1.551 1.00 35.47 O +ATOM 1972 N ILE B 29 25.993 30.833 2.284 1.00 16.36 N +ATOM 1973 CA ILE B 29 27.172 30.954 3.129 1.00 17.42 C +ATOM 1974 C ILE B 29 26.941 30.329 4.498 1.00 18.34 C +ATOM 1975 O ILE B 29 25.858 30.434 5.077 1.00 17.31 O +ATOM 1976 CB ILE B 29 27.555 32.444 3.319 1.00 15.76 C +ATOM 1977 CG1 ILE B 29 27.896 33.068 1.959 1.00 15.56 C +ATOM 1978 CG2 ILE B 29 28.724 32.568 4.299 1.00 15.71 C +ATOM 1979 CD1 ILE B 29 27.809 34.591 1.930 1.00 14.97 C +ATOM 1980 N GLU B 30 27.967 29.659 5.005 1.00 18.46 N +ATOM 1981 CA GLU B 30 27.879 29.055 6.321 1.00 19.82 C +ATOM 1982 C GLU B 30 29.061 29.560 7.119 1.00 18.66 C +ATOM 1983 O GLU B 30 30.115 29.867 6.560 1.00 17.24 O +ATOM 1984 CB GLU B 30 27.912 27.532 6.228 1.00 24.22 C +ATOM 1985 CG GLU B 30 26.718 26.944 5.497 1.00 29.18 C +ATOM 1986 CD GLU B 30 26.618 25.446 5.677 1.00 33.45 C +ATOM 1987 OE1 GLU B 30 27.634 24.755 5.459 1.00 33.93 O +ATOM 1988 OE2 GLU B 30 25.524 24.963 6.034 1.00 36.67 O +ATOM 1989 N GLY B 31 28.877 29.662 8.426 1.00 19.26 N +ATOM 1990 CA GLY B 31 29.952 30.141 9.267 1.00 19.78 C +ATOM 1991 C GLY B 31 29.842 29.680 10.699 1.00 20.95 C +ATOM 1992 O GLY B 31 28.860 29.052 11.104 1.00 22.05 O +ATOM 1993 N GLU B 32 30.869 30.006 11.471 1.00 22.19 N +ATOM 1994 CA GLU B 32 30.930 29.648 12.875 1.00 24.60 C +ATOM 1995 C GLU B 32 31.686 30.769 13.575 1.00 23.05 C +ATOM 1996 O GLU B 32 32.708 31.244 13.077 1.00 24.24 O +ATOM 1997 CB GLU B 32 31.662 28.310 13.034 1.00 28.62 C +ATOM 1998 CG GLU B 32 31.016 27.169 12.246 1.00 35.37 C +ATOM 1999 CD GLU B 32 31.832 25.881 12.266 1.00 39.43 C +ATOM 2000 OE1 GLU B 32 32.999 25.898 11.810 1.00 41.94 O +ATOM 2001 OE2 GLU B 32 31.301 24.849 12.734 1.00 41.97 O +ATOM 2002 N GLY B 33 31.172 31.209 14.717 1.00 21.83 N +ATOM 2003 CA GLY B 33 31.820 32.283 15.440 1.00 20.03 C +ATOM 2004 C GLY B 33 31.802 32.073 16.937 1.00 19.54 C +ATOM 2005 O GLY B 33 31.337 31.041 17.422 1.00 17.98 O +ATOM 2006 N GLU B 34 32.299 33.064 17.669 1.00 18.87 N +ATOM 2007 CA GLU B 34 32.359 32.979 19.119 1.00 19.89 C +ATOM 2008 C GLU B 34 32.622 34.366 19.692 1.00 20.19 C +ATOM 2009 O GLU B 34 32.942 35.299 18.951 1.00 18.33 O +ATOM 2010 CB GLU B 34 33.486 32.032 19.513 1.00 21.34 C +ATOM 2011 CG GLU B 34 34.865 32.543 19.132 1.00 23.58 C +ATOM 2012 CD GLU B 34 35.927 31.466 19.216 1.00 26.30 C +ATOM 2013 OE1 GLU B 34 35.581 30.276 19.060 1.00 29.34 O +ATOM 2014 OE2 GLU B 34 37.108 31.809 19.423 1.00 27.06 O +ATOM 2015 N GLY B 35 32.490 34.502 21.008 1.00 19.30 N +ATOM 2016 CA GLY B 35 32.729 35.794 21.626 1.00 19.81 C +ATOM 2017 C GLY B 35 32.337 35.884 23.087 1.00 19.89 C +ATOM 2018 O GLY B 35 31.975 34.888 23.717 1.00 20.24 O +ATOM 2019 N ARG B 36 32.424 37.095 23.623 1.00 18.66 N +ATOM 2020 CA ARG B 36 32.086 37.367 25.012 1.00 20.63 C +ATOM 2021 C ARG B 36 30.950 38.380 25.000 1.00 21.48 C +ATOM 2022 O ARG B 36 31.175 39.594 24.966 1.00 20.20 O +ATOM 2023 CB ARG B 36 33.299 37.942 25.742 1.00 21.08 C +ATOM 2024 CG ARG B 36 34.552 37.087 25.615 1.00 22.06 C +ATOM 2025 CD ARG B 36 35.690 37.633 26.470 1.00 25.41 C +ATOM 2026 NE ARG B 36 36.914 36.845 26.328 1.00 25.99 N +ATOM 2027 CZ ARG B 36 38.034 37.067 27.010 1.00 27.42 C +ATOM 2028 NH1 ARG B 36 38.094 38.056 27.895 1.00 27.06 N +ATOM 2029 NH2 ARG B 36 39.101 36.309 26.797 1.00 28.77 N +ATOM 2030 N PRO B 37 29.705 37.889 25.030 1.00 21.03 N +ATOM 2031 CA PRO B 37 28.519 38.750 25.011 1.00 20.59 C +ATOM 2032 C PRO B 37 28.484 39.918 26.003 1.00 19.97 C +ATOM 2033 O PRO B 37 27.919 40.972 25.700 1.00 19.92 O +ATOM 2034 CB PRO B 37 27.368 37.759 25.207 1.00 21.11 C +ATOM 2035 CG PRO B 37 28.010 36.586 25.889 1.00 22.21 C +ATOM 2036 CD PRO B 37 29.332 36.475 25.204 1.00 22.08 C +ATOM 2037 N TYR B 38 29.099 39.747 27.169 1.00 18.97 N +ATOM 2038 CA TYR B 38 29.104 40.799 28.180 1.00 19.06 C +ATOM 2039 C TYR B 38 30.277 41.768 28.057 1.00 18.54 C +ATOM 2040 O TYR B 38 30.357 42.756 28.790 1.00 19.62 O +ATOM 2041 CB TYR B 38 29.086 40.183 29.582 1.00 18.36 C +ATOM 2042 CG TYR B 38 27.918 39.248 29.813 1.00 19.63 C +ATOM 2043 CD1 TYR B 38 26.659 39.747 30.148 1.00 20.64 C +ATOM 2044 CD2 TYR B 38 28.068 37.868 29.682 1.00 18.93 C +ATOM 2045 CE1 TYR B 38 25.575 38.893 30.347 1.00 21.64 C +ATOM 2046 CE2 TYR B 38 26.991 37.002 29.879 1.00 21.20 C +ATOM 2047 CZ TYR B 38 25.748 37.523 30.212 1.00 22.40 C +ATOM 2048 OH TYR B 38 24.678 36.682 30.415 1.00 21.30 O +ATOM 2049 N GLU B 39 31.186 41.490 27.132 1.00 18.51 N +ATOM 2050 CA GLU B 39 32.335 42.359 26.927 1.00 18.43 C +ATOM 2051 C GLU B 39 32.257 43.089 25.584 1.00 18.50 C +ATOM 2052 O GLU B 39 33.025 44.013 25.322 1.00 19.07 O +ATOM 2053 CB GLU B 39 33.622 41.538 27.056 1.00 20.24 C +ATOM 2054 CG GLU B 39 33.841 41.032 28.492 1.00 23.25 C +ATOM 2055 CD GLU B 39 35.033 40.106 28.634 1.00 25.97 C +ATOM 2056 OE1 GLU B 39 36.101 40.435 28.083 1.00 26.89 O +ATOM 2057 OE2 GLU B 39 34.908 39.056 29.310 1.00 29.86 O +ATOM 2058 N GLY B 40 31.319 42.670 24.737 1.00 17.51 N +ATOM 2059 CA GLY B 40 31.133 43.321 23.450 1.00 18.31 C +ATOM 2060 C GLY B 40 32.083 42.955 22.327 1.00 18.69 C +ATOM 2061 O GLY B 40 32.327 43.772 21.436 1.00 19.13 O +ATOM 2062 N HIS B 41 32.615 41.737 22.358 1.00 18.13 N +ATOM 2063 CA HIS B 41 33.535 41.269 21.323 1.00 19.06 C +ATOM 2064 C HIS B 41 33.060 39.928 20.771 1.00 18.54 C +ATOM 2065 O HIS B 41 32.599 39.072 21.522 1.00 20.15 O +ATOM 2066 CB HIS B 41 34.951 41.063 21.888 1.00 21.59 C +ATOM 2067 CG HIS B 41 35.540 42.277 22.537 1.00 25.35 C +ATOM 2068 ND1 HIS B 41 35.750 43.459 21.861 1.00 28.38 N +ATOM 2069 CD2 HIS B 41 35.979 42.486 23.802 1.00 27.44 C +ATOM 2070 CE1 HIS B 41 36.292 44.345 22.679 1.00 28.47 C +ATOM 2071 NE2 HIS B 41 36.442 43.779 23.863 1.00 29.32 N +ATOM 2072 N ASN B 42 33.171 39.746 19.462 1.00 16.33 N +ATOM 2073 CA ASN B 42 32.799 38.481 18.843 1.00 16.66 C +ATOM 2074 C ASN B 42 33.415 38.403 17.448 1.00 17.18 C +ATOM 2075 O ASN B 42 33.554 39.417 16.755 1.00 17.27 O +ATOM 2076 CB ASN B 42 31.266 38.310 18.812 1.00 15.83 C +ATOM 2077 CG ASN B 42 30.603 39.024 17.648 1.00 16.75 C +ATOM 2078 OD1 ASN B 42 30.220 38.397 16.656 1.00 15.26 O +ATOM 2079 ND2 ASN B 42 30.460 40.338 17.763 1.00 14.38 N +ATOM 2080 N THR B 43 33.830 37.199 17.068 1.00 16.46 N +ATOM 2081 CA THR B 43 34.448 36.949 15.770 1.00 16.90 C +ATOM 2082 C THR B 43 33.646 35.871 15.055 1.00 17.01 C +ATOM 2083 O THR B 43 32.897 35.134 15.693 1.00 17.86 O +ATOM 2084 CB THR B 43 35.899 36.443 15.927 1.00 18.38 C +ATOM 2085 OG1 THR B 43 35.899 35.209 16.667 1.00 17.89 O +ATOM 2086 CG2 THR B 43 36.741 37.467 16.677 1.00 17.51 C +ATOM 2087 N VAL B 44 33.803 35.786 13.736 1.00 16.05 N +ATOM 2088 CA VAL B 44 33.089 34.792 12.944 1.00 16.81 C +ATOM 2089 C VAL B 44 33.881 34.409 11.695 1.00 16.72 C +ATOM 2090 O VAL B 44 34.561 35.241 11.095 1.00 15.96 O +ATOM 2091 CB VAL B 44 31.693 35.313 12.522 1.00 16.26 C +ATOM 2092 CG1 VAL B 44 31.840 36.560 11.655 1.00 16.55 C +ATOM 2093 CG2 VAL B 44 30.930 34.224 11.780 1.00 12.98 C +ATOM 2094 N LYS B 45 33.798 33.139 11.316 1.00 16.61 N +ATOM 2095 CA LYS B 45 34.503 32.642 10.141 1.00 17.82 C +ATOM 2096 C LYS B 45 33.472 32.131 9.143 1.00 17.39 C +ATOM 2097 O LYS B 45 32.649 31.275 9.475 1.00 16.43 O +ATOM 2098 CB LYS B 45 35.444 31.506 10.532 1.00 22.07 C +ATOM 2099 CG LYS B 45 36.398 31.080 9.428 1.00 26.66 C +ATOM 2100 CD LYS B 45 37.830 31.463 9.774 1.00 30.66 C +ATOM 2101 CE LYS B 45 38.816 30.923 8.748 1.00 33.23 C +ATOM 2102 NZ LYS B 45 40.228 31.153 9.177 1.00 35.19 N +ATOM 2103 N LEU B 46 33.527 32.648 7.920 1.00 16.43 N +ATOM 2104 CA LEU B 46 32.572 32.261 6.892 1.00 16.67 C +ATOM 2105 C LEU B 46 33.205 31.520 5.728 1.00 16.66 C +ATOM 2106 O LEU B 46 34.410 31.608 5.492 1.00 15.25 O +ATOM 2107 CB LEU B 46 31.854 33.497 6.333 1.00 16.48 C +ATOM 2108 CG LEU B 46 31.125 34.488 7.247 1.00 17.78 C +ATOM 2109 CD1 LEU B 46 30.108 33.746 8.104 1.00 17.90 C +ATOM 2110 CD2 LEU B 46 32.135 35.237 8.113 1.00 19.65 C +ATOM 2111 N LYS B 47 32.359 30.810 4.992 1.00 17.29 N +ATOM 2112 CA LYS B 47 32.759 30.050 3.821 1.00 19.41 C +ATOM 2113 C LYS B 47 31.608 30.075 2.825 1.00 19.18 C +ATOM 2114 O LYS B 47 30.487 29.709 3.166 1.00 17.70 O +ATOM 2115 CB LYS B 47 33.069 28.599 4.203 1.00 22.88 C +ATOM 2116 CG LYS B 47 33.303 27.673 3.011 1.00 27.40 C +ATOM 2117 CD LYS B 47 34.462 28.149 2.149 1.00 30.94 C +ATOM 2118 CE LYS B 47 34.725 27.204 0.984 1.00 34.70 C +ATOM 2119 NZ LYS B 47 35.893 27.653 0.165 1.00 37.09 N +ATOM 2120 N VAL B 48 31.875 30.532 1.604 1.00 19.19 N +ATOM 2121 CA VAL B 48 30.838 30.562 0.581 1.00 20.17 C +ATOM 2122 C VAL B 48 30.693 29.126 0.114 1.00 20.20 C +ATOM 2123 O VAL B 48 31.617 28.571 -0.484 1.00 20.17 O +ATOM 2124 CB VAL B 48 31.234 31.439 -0.626 1.00 17.92 C +ATOM 2125 CG1 VAL B 48 30.180 31.326 -1.712 1.00 20.85 C +ATOM 2126 CG2 VAL B 48 31.377 32.886 -0.196 1.00 18.48 C +ATOM 2127 N THR B 49 29.537 28.530 0.390 1.00 20.37 N +ATOM 2128 CA THR B 49 29.282 27.142 0.021 1.00 21.00 C +ATOM 2129 C THR B 49 28.598 26.971 -1.330 1.00 22.59 C +ATOM 2130 O THR B 49 28.650 25.894 -1.929 1.00 21.50 O +ATOM 2131 CB THR B 49 28.453 26.442 1.110 1.00 20.60 C +ATOM 2132 OG1 THR B 49 27.313 27.244 1.437 1.00 20.43 O +ATOM 2133 CG2 THR B 49 29.293 26.248 2.362 1.00 21.10 C +ATOM 2134 N LYS B 50 27.954 28.029 -1.807 1.00 21.83 N +ATOM 2135 CA LYS B 50 27.293 27.993 -3.106 1.00 22.40 C +ATOM 2136 C LYS B 50 27.281 29.399 -3.690 1.00 21.16 C +ATOM 2137 O LYS B 50 27.070 30.373 -2.965 1.00 20.48 O +ATOM 2138 CB LYS B 50 25.855 27.491 -2.980 1.00 24.40 C +ATOM 2139 CG LYS B 50 25.117 27.460 -4.311 1.00 28.95 C +ATOM 2140 CD LYS B 50 23.612 27.366 -4.124 1.00 32.12 C +ATOM 2141 CE LYS B 50 22.886 27.521 -5.453 1.00 34.39 C +ATOM 2142 NZ LYS B 50 21.411 27.603 -5.269 1.00 35.81 N +ATOM 2143 N GLY B 51 27.517 29.497 -4.995 1.00 20.32 N +ATOM 2144 CA GLY B 51 27.516 30.788 -5.655 1.00 21.15 C +ATOM 2145 C GLY B 51 28.876 31.450 -5.752 1.00 21.04 C +ATOM 2146 O GLY B 51 29.013 32.491 -6.399 1.00 20.02 O +ATOM 2147 N GLY B 52 29.882 30.854 -5.119 1.00 19.99 N +ATOM 2148 CA GLY B 52 31.216 31.425 -5.151 1.00 19.44 C +ATOM 2149 C GLY B 52 31.937 31.189 -6.462 1.00 20.29 C +ATOM 2150 O GLY B 52 31.708 30.173 -7.115 1.00 21.90 O +ATOM 2151 N PRO B 53 32.810 32.118 -6.884 1.00 20.78 N +ATOM 2152 CA PRO B 53 33.116 33.358 -6.159 1.00 20.65 C +ATOM 2153 C PRO B 53 32.000 34.382 -6.354 1.00 20.52 C +ATOM 2154 O PRO B 53 31.414 34.467 -7.434 1.00 21.73 O +ATOM 2155 CB PRO B 53 34.429 33.805 -6.791 1.00 19.61 C +ATOM 2156 CG PRO B 53 34.252 33.393 -8.217 1.00 21.85 C +ATOM 2157 CD PRO B 53 33.644 31.999 -8.095 1.00 20.42 C +ATOM 2158 N LEU B 54 31.705 35.151 -5.310 1.00 18.81 N +ATOM 2159 CA LEU B 54 30.655 36.162 -5.382 1.00 19.79 C +ATOM 2160 C LEU B 54 31.060 37.256 -6.367 1.00 19.53 C +ATOM 2161 O LEU B 54 32.220 37.667 -6.402 1.00 20.73 O +ATOM 2162 CB LEU B 54 30.417 36.770 -3.996 1.00 17.99 C +ATOM 2163 CG LEU B 54 30.019 35.774 -2.901 1.00 18.44 C +ATOM 2164 CD1 LEU B 54 29.919 36.487 -1.565 1.00 17.66 C +ATOM 2165 CD2 LEU B 54 28.697 35.114 -3.261 1.00 18.26 C +ATOM 2166 N PRO B 55 30.114 37.726 -7.196 1.00 18.52 N +ATOM 2167 CA PRO B 55 30.422 38.777 -8.167 1.00 18.01 C +ATOM 2168 C PRO B 55 30.189 40.180 -7.608 1.00 18.28 C +ATOM 2169 O PRO B 55 29.973 41.127 -8.363 1.00 19.59 O +ATOM 2170 CB PRO B 55 29.480 38.455 -9.319 1.00 18.90 C +ATOM 2171 CG PRO B 55 28.255 38.011 -8.596 1.00 17.17 C +ATOM 2172 CD PRO B 55 28.815 37.099 -7.507 1.00 19.08 C +ATOM 2173 N PHE B 56 30.227 40.312 -6.287 1.00 17.03 N +ATOM 2174 CA PHE B 56 30.014 41.613 -5.658 1.00 15.49 C +ATOM 2175 C PHE B 56 30.826 41.735 -4.382 1.00 14.89 C +ATOM 2176 O PHE B 56 31.354 40.742 -3.879 1.00 17.28 O +ATOM 2177 CB PHE B 56 28.524 41.812 -5.359 1.00 14.65 C +ATOM 2178 CG PHE B 56 27.936 40.747 -4.479 1.00 14.81 C +ATOM 2179 CD1 PHE B 56 28.034 40.835 -3.093 1.00 15.54 C +ATOM 2180 CD2 PHE B 56 27.317 39.630 -5.040 1.00 14.78 C +ATOM 2181 CE1 PHE B 56 27.525 39.823 -2.275 1.00 13.10 C +ATOM 2182 CE2 PHE B 56 26.807 38.613 -4.227 1.00 13.99 C +ATOM 2183 CZ PHE B 56 26.912 38.713 -2.846 1.00 15.07 C +ATOM 2184 N ALA B 57 30.918 42.957 -3.862 1.00 14.40 N +ATOM 2185 CA ALA B 57 31.678 43.238 -2.648 1.00 14.08 C +ATOM 2186 C ALA B 57 31.196 42.499 -1.404 1.00 13.61 C +ATOM 2187 O ALA B 57 30.026 42.577 -1.026 1.00 14.09 O +ATOM 2188 CB ALA B 57 31.676 44.739 -2.373 1.00 13.79 C +ATOM 2189 N TRP B 58 32.118 41.804 -0.753 1.00 13.49 N +ATOM 2190 CA TRP B 58 31.803 41.070 0.462 1.00 13.15 C +ATOM 2191 C TRP B 58 31.261 42.015 1.535 1.00 13.24 C +ATOM 2192 O TRP B 58 30.354 41.664 2.294 1.00 12.52 O +ATOM 2193 CB TRP B 58 33.059 40.377 0.994 1.00 12.55 C +ATOM 2194 CG TRP B 58 32.826 39.693 2.293 1.00 12.23 C +ATOM 2195 CD1 TRP B 58 32.967 40.224 3.548 1.00 11.93 C +ATOM 2196 CD2 TRP B 58 32.304 38.374 2.471 1.00 12.47 C +ATOM 2197 NE1 TRP B 58 32.553 39.312 4.497 1.00 11.17 N +ATOM 2198 CE2 TRP B 58 32.142 38.171 3.862 1.00 12.21 C +ATOM 2199 CE3 TRP B 58 31.953 37.343 1.589 1.00 14.10 C +ATOM 2200 CZ2 TRP B 58 31.644 36.977 4.388 1.00 12.09 C +ATOM 2201 CZ3 TRP B 58 31.457 36.157 2.115 1.00 13.18 C +ATOM 2202 CH2 TRP B 58 31.308 35.985 3.503 1.00 11.37 C +ATOM 2203 N ASP B 59 31.822 43.216 1.586 1.00 12.23 N +ATOM 2204 CA ASP B 59 31.430 44.202 2.588 1.00 13.57 C +ATOM 2205 C ASP B 59 29.931 44.366 2.833 1.00 11.96 C +ATOM 2206 O ASP B 59 29.529 44.616 3.963 1.00 13.80 O +ATOM 2207 CB ASP B 59 32.051 45.575 2.270 1.00 14.32 C +ATOM 2208 CG ASP B 59 33.564 45.614 2.515 1.00 16.99 C +ATOM 2209 OD1 ASP B 59 34.044 44.936 3.446 1.00 18.07 O +ATOM 2210 OD2 ASP B 59 34.275 46.344 1.789 1.00 18.74 O +ATOM 2211 N ILE B 60 29.091 44.223 1.811 1.00 12.32 N +ATOM 2212 CA ILE B 60 27.660 44.396 2.059 1.00 12.50 C +ATOM 2213 C ILE B 60 27.072 43.268 2.905 1.00 12.78 C +ATOM 2214 O ILE B 60 26.022 43.434 3.524 1.00 10.89 O +ATOM 2215 CB ILE B 60 26.827 44.536 0.745 1.00 13.35 C +ATOM 2216 CG1 ILE B 60 26.853 43.240 -0.068 1.00 13.33 C +ATOM 2217 CG2 ILE B 60 27.361 45.693 -0.082 1.00 14.66 C +ATOM 2218 CD1 ILE B 60 25.936 43.299 -1.296 1.00 12.86 C +ATOM 2219 N LEU B 61 27.764 42.132 2.947 1.00 11.94 N +ATOM 2220 CA LEU B 61 27.307 40.980 3.721 1.00 12.37 C +ATOM 2221 C LEU B 61 27.854 40.908 5.150 1.00 13.67 C +ATOM 2222 O LEU B 61 27.200 40.366 6.049 1.00 12.43 O +ATOM 2223 CB LEU B 61 27.701 39.683 3.005 1.00 12.71 C +ATOM 2224 CG LEU B 61 27.292 39.471 1.546 1.00 11.19 C +ATOM 2225 CD1 LEU B 61 27.828 38.114 1.081 1.00 14.38 C +ATOM 2226 CD2 LEU B 61 25.775 39.523 1.414 1.00 12.61 C +ATOM 2227 N SER B 62 29.049 41.444 5.373 1.00 13.94 N +ATOM 2228 CA SER B 62 29.644 41.347 6.693 1.00 14.18 C +ATOM 2229 C SER B 62 28.743 41.760 7.853 1.00 15.11 C +ATOM 2230 O SER B 62 28.716 41.084 8.882 1.00 14.07 O +ATOM 2231 CB SER B 62 30.984 42.105 6.744 1.00 13.59 C +ATOM 2232 OG SER B 62 30.839 43.498 6.538 1.00 13.47 O +ATOM 2233 N PRO B 63 27.967 42.847 7.704 1.00 15.80 N +ATOM 2234 CA PRO B 63 27.114 43.226 8.838 1.00 15.00 C +ATOM 2235 C PRO B 63 25.884 42.349 9.095 1.00 15.70 C +ATOM 2236 O PRO B 63 25.173 42.556 10.076 1.00 14.13 O +ATOM 2237 CB PRO B 63 26.720 44.670 8.517 1.00 16.15 C +ATOM 2238 CG PRO B 63 27.817 45.142 7.580 1.00 16.40 C +ATOM 2239 CD PRO B 63 28.018 43.932 6.711 1.00 16.58 C +ATOM 2240 N GLN B 64 25.620 41.380 8.228 1.00 14.85 N +ATOM 2241 CA GLN B 64 24.462 40.513 8.424 1.00 15.98 C +ATOM 2242 C GLN B 64 24.883 39.277 9.185 1.00 17.57 C +ATOM 2243 O GLN B 64 24.060 38.431 9.546 1.00 16.30 O +ATOM 2244 CB GLN B 64 23.884 40.074 7.082 1.00 14.57 C +ATOM 2245 CG GLN B 64 23.948 41.133 6.001 1.00 12.48 C +ATOM 2246 CD GLN B 64 23.514 42.500 6.488 1.00 12.53 C +ATOM 2247 OE1 GLN B 64 22.684 42.617 7.389 1.00 12.94 O +ATOM 2248 NE2 GLN B 64 24.066 43.548 5.879 1.00 10.73 N +ATOM 2249 N PHE B 65 26.173 39.164 9.439 1.00 18.13 N +ATOM 2250 CA PHE B 65 26.626 37.981 10.120 1.00 19.70 C +ATOM 2251 C PHE B 65 26.864 38.074 11.590 1.00 21.30 C +ATOM 2252 O PHE B 65 26.941 37.063 12.285 1.00 23.17 O +ATOM 2253 CB PHE B 65 27.975 37.559 9.533 1.00 17.97 C +ATOM 2254 CG PHE B 65 27.855 36.879 8.207 1.00 16.90 C +ATOM 2255 CD1 PHE B 65 28.580 37.333 7.112 1.00 14.62 C +ATOM 2256 CD2 PHE B 65 26.937 35.850 8.027 1.00 14.52 C +ATOM 2257 CE1 PHE B 65 28.381 36.782 5.855 1.00 16.42 C +ATOM 2258 CE2 PHE B 65 26.732 35.290 6.765 1.00 15.07 C +ATOM 2259 CZ PHE B 65 27.454 35.762 5.677 1.00 14.84 C +HETATM 2260 N1 CRQ B 68 26.963 39.138 12.466 1.00 22.57 N +HETATM 2261 CA1 CRQ B 68 27.407 40.345 12.508 1.00 22.50 C +HETATM 2262 CB1 CRQ B 68 28.893 40.629 12.417 1.00 22.13 C +HETATM 2263 CG1 CRQ B 68 29.752 39.761 13.345 1.00 20.80 C +HETATM 2264 C1 CRQ B 68 26.489 41.432 12.670 1.00 21.41 C +HETATM 2265 N2 CRQ B 68 26.906 42.711 12.583 1.00 20.55 N +HETATM 2266 N3 CRQ B 68 25.094 41.346 12.927 1.00 21.14 N +HETATM 2267 C2 CRQ B 68 24.610 42.693 13.004 1.00 20.94 C +HETATM 2268 O2 CRQ B 68 23.432 43.030 13.218 1.00 17.02 O +HETATM 2269 CA2 CRQ B 68 25.818 43.525 12.771 1.00 20.20 C +HETATM 2270 CA3 CRQ B 68 24.217 40.073 13.078 1.00 23.46 C +HETATM 2271 CB2 CRQ B 68 25.761 44.957 12.767 1.00 19.82 C +HETATM 2272 CG2 CRQ B 68 26.738 45.976 12.565 1.00 18.51 C +HETATM 2273 CD1 CRQ B 68 28.161 45.757 12.254 1.00 18.00 C +HETATM 2274 CD2 CRQ B 68 26.303 47.381 12.674 1.00 16.32 C +HETATM 2275 CE1 CRQ B 68 29.049 46.819 12.081 1.00 17.73 C +HETATM 2276 CE2 CRQ B 68 27.190 48.443 12.503 1.00 15.43 C +HETATM 2277 CZ CRQ B 68 28.616 48.223 12.200 1.00 17.02 C +HETATM 2278 OH CRQ B 68 29.417 49.176 12.053 1.00 15.31 O +HETATM 2279 OE1 CRQ B 68 31.774 40.420 12.323 1.00 18.22 O +HETATM 2280 C3 CRQ B 68 24.583 38.732 13.864 1.00 23.53 C +HETATM 2281 O3 CRQ B 68 23.619 38.099 14.246 1.00 24.75 O +HETATM 2282 CD3 CRQ B 68 31.264 39.886 13.308 1.00 19.13 C +HETATM 2283 NE1 CRQ B 68 32.004 39.397 14.335 1.00 17.87 N +ATOM 2284 N SER B 69 25.348 39.473 14.680 1.00 22.30 N +ATOM 2285 CA SER B 69 25.189 39.419 16.155 1.00 22.70 C +ATOM 2286 C SER B 69 24.864 40.285 17.374 1.00 21.20 C +ATOM 2287 O SER B 69 25.584 40.108 18.353 1.00 20.27 O +ATOM 2288 CB SER B 69 26.515 38.742 16.600 1.00 24.15 C +ATOM 2289 OG SER B 69 26.420 37.337 16.790 1.00 26.07 O +ATOM 2290 N LYS B 70 23.888 41.146 17.425 1.00 20.46 N +ATOM 2291 CA LYS B 70 23.801 41.979 18.637 1.00 18.59 C +ATOM 2292 C LYS B 70 23.577 41.429 20.039 1.00 18.11 C +ATOM 2293 O LYS B 70 23.498 42.215 20.976 1.00 16.36 O +ATOM 2294 CB LYS B 70 22.831 43.130 18.392 1.00 19.89 C +ATOM 2295 CG LYS B 70 23.227 44.017 17.209 1.00 20.16 C +ATOM 2296 CD LYS B 70 24.685 44.465 17.224 1.00 23.25 C +ATOM 2297 CE LYS B 70 24.973 45.416 16.067 1.00 22.47 C +ATOM 2298 NZ LYS B 70 26.410 45.802 16.045 1.00 23.80 N +ATOM 2299 N VAL B 71 23.465 40.114 20.215 1.00 17.73 N +ATOM 2300 CA VAL B 71 23.286 39.556 21.557 1.00 17.44 C +ATOM 2301 C VAL B 71 24.634 39.753 22.267 1.00 16.94 C +ATOM 2302 O VAL B 71 24.719 39.735 23.492 1.00 17.80 O +ATOM 2303 CB VAL B 71 22.934 38.049 21.494 1.00 15.77 C +ATOM 2304 CG1 VAL B 71 24.139 37.236 21.053 1.00 15.91 C +ATOM 2305 CG2 VAL B 71 22.427 37.586 22.837 1.00 15.99 C +ATOM 2306 N TYR B 72 25.681 39.975 21.471 1.00 16.75 N +ATOM 2307 CA TYR B 72 27.026 40.193 21.997 1.00 16.21 C +ATOM 2308 C TYR B 72 27.324 41.663 22.296 1.00 16.57 C +ATOM 2309 O TYR B 72 28.452 42.007 22.636 1.00 18.30 O +ATOM 2310 CB TYR B 72 28.088 39.667 21.021 1.00 17.30 C +ATOM 2311 CG TYR B 72 28.153 38.157 20.890 1.00 17.84 C +ATOM 2312 CD1 TYR B 72 27.329 37.474 19.996 1.00 17.79 C +ATOM 2313 CD2 TYR B 72 29.068 37.416 21.640 1.00 19.02 C +ATOM 2314 CE1 TYR B 72 27.423 36.091 19.846 1.00 19.70 C +ATOM 2315 CE2 TYR B 72 29.168 36.037 21.503 1.00 19.80 C +ATOM 2316 CZ TYR B 72 28.347 35.379 20.602 1.00 20.28 C +ATOM 2317 OH TYR B 72 28.469 34.015 20.442 1.00 19.07 O +ATOM 2318 N VAL B 73 26.332 42.537 22.160 1.00 17.58 N +ATOM 2319 CA VAL B 73 26.569 43.949 22.452 1.00 18.43 C +ATOM 2320 C VAL B 73 26.677 44.155 23.962 1.00 18.27 C +ATOM 2321 O VAL B 73 25.792 43.752 24.709 1.00 18.29 O +ATOM 2322 CB VAL B 73 25.431 44.854 21.926 1.00 17.28 C +ATOM 2323 CG1 VAL B 73 25.681 46.298 22.345 1.00 19.72 C +ATOM 2324 CG2 VAL B 73 25.353 44.771 20.426 1.00 19.68 C +ATOM 2325 N LYS B 74 27.764 44.783 24.406 1.00 18.24 N +ATOM 2326 CA LYS B 74 27.964 45.054 25.826 1.00 19.97 C +ATOM 2327 C LYS B 74 27.023 46.183 26.248 1.00 20.40 C +ATOM 2328 O LYS B 74 27.010 47.245 25.626 1.00 20.36 O +ATOM 2329 CB LYS B 74 29.419 45.463 26.078 1.00 19.53 C +ATOM 2330 CG LYS B 74 29.716 45.898 27.504 1.00 20.10 C +ATOM 2331 CD LYS B 74 31.194 46.232 27.663 1.00 20.53 C +ATOM 2332 CE LYS B 74 31.518 46.697 29.074 1.00 21.45 C +ATOM 2333 NZ LYS B 74 32.953 47.079 29.188 1.00 20.96 N +ATOM 2334 N HIS B 75 26.235 45.948 27.295 1.00 20.79 N +ATOM 2335 CA HIS B 75 25.287 46.947 27.786 1.00 20.22 C +ATOM 2336 C HIS B 75 25.502 47.330 29.247 1.00 20.95 C +ATOM 2337 O HIS B 75 25.802 46.481 30.087 1.00 20.87 O +ATOM 2338 CB HIS B 75 23.841 46.446 27.645 1.00 21.10 C +ATOM 2339 CG HIS B 75 23.311 46.471 26.244 1.00 20.59 C +ATOM 2340 ND1 HIS B 75 23.658 45.533 25.296 1.00 20.63 N +ATOM 2341 CD2 HIS B 75 22.447 47.318 25.636 1.00 20.99 C +ATOM 2342 CE1 HIS B 75 23.029 45.800 24.164 1.00 21.68 C +ATOM 2343 NE2 HIS B 75 22.288 46.879 24.344 1.00 20.80 N +ATOM 2344 N PRO B 76 25.356 48.626 29.564 1.00 21.73 N +ATOM 2345 CA PRO B 76 25.522 49.109 30.936 1.00 21.99 C +ATOM 2346 C PRO B 76 24.353 48.529 31.730 1.00 22.23 C +ATOM 2347 O PRO B 76 23.265 48.328 31.183 1.00 20.52 O +ATOM 2348 CB PRO B 76 25.406 50.626 30.787 1.00 21.84 C +ATOM 2349 CG PRO B 76 25.860 50.873 29.380 1.00 22.88 C +ATOM 2350 CD PRO B 76 25.202 49.752 28.628 1.00 21.33 C +ATOM 2351 N ALA B 77 24.576 48.267 33.011 1.00 22.69 N +ATOM 2352 CA ALA B 77 23.542 47.695 33.863 1.00 22.85 C +ATOM 2353 C ALA B 77 22.214 48.452 33.820 1.00 23.51 C +ATOM 2354 O ALA B 77 21.148 47.850 33.957 1.00 24.86 O +ATOM 2355 CB ALA B 77 24.046 47.620 35.302 1.00 23.51 C +ATOM 2356 N ASP B 78 22.269 49.764 33.624 1.00 22.20 N +ATOM 2357 CA ASP B 78 21.049 50.560 33.617 1.00 22.51 C +ATOM 2358 C ASP B 78 20.282 50.600 32.299 1.00 22.09 C +ATOM 2359 O ASP B 78 19.235 51.240 32.212 1.00 21.66 O +ATOM 2360 CB ASP B 78 21.360 51.981 34.092 1.00 24.71 C +ATOM 2361 CG ASP B 78 22.263 52.727 33.144 1.00 25.70 C +ATOM 2362 OD1 ASP B 78 23.109 52.078 32.488 1.00 27.57 O +ATOM 2363 OD2 ASP B 78 22.136 53.968 33.071 1.00 26.00 O +ATOM 2364 N ILE B 79 20.796 49.926 31.275 1.00 19.78 N +ATOM 2365 CA ILE B 79 20.116 49.883 29.982 1.00 19.63 C +ATOM 2366 C ILE B 79 19.698 48.439 29.711 1.00 18.80 C +ATOM 2367 O ILE B 79 20.545 47.567 29.517 1.00 19.85 O +ATOM 2368 CB ILE B 79 21.035 50.362 28.830 1.00 18.00 C +ATOM 2369 CG1 ILE B 79 21.515 51.790 29.100 1.00 17.43 C +ATOM 2370 CG2 ILE B 79 20.278 50.306 27.510 1.00 16.64 C +ATOM 2371 CD1 ILE B 79 22.386 52.380 27.986 1.00 16.51 C +ATOM 2372 N PRO B 80 18.385 48.161 29.713 1.00 18.17 N +ATOM 2373 CA PRO B 80 17.953 46.784 29.457 1.00 18.32 C +ATOM 2374 C PRO B 80 18.484 46.196 28.155 1.00 19.02 C +ATOM 2375 O PRO B 80 18.345 46.784 27.080 1.00 19.07 O +ATOM 2376 CB PRO B 80 16.425 46.872 29.503 1.00 18.14 C +ATOM 2377 CG PRO B 80 16.123 48.326 29.333 1.00 20.43 C +ATOM 2378 CD PRO B 80 17.239 49.017 30.055 1.00 18.51 C +ATOM 2379 N ASP B 81 19.113 45.032 28.276 1.00 17.52 N +ATOM 2380 CA ASP B 81 19.696 44.331 27.143 1.00 17.60 C +ATOM 2381 C ASP B 81 18.623 43.427 26.517 1.00 18.10 C +ATOM 2382 O ASP B 81 18.663 42.206 26.653 1.00 17.15 O +ATOM 2383 CB ASP B 81 20.880 43.494 27.628 1.00 17.99 C +ATOM 2384 CG ASP B 81 21.842 43.139 26.515 1.00 19.02 C +ATOM 2385 OD1 ASP B 81 21.373 42.790 25.410 1.00 18.94 O +ATOM 2386 OD2 ASP B 81 23.070 43.197 26.752 1.00 17.85 O +ATOM 2387 N TYR B 82 17.668 44.061 25.841 1.00 16.97 N +ATOM 2388 CA TYR B 82 16.546 43.405 25.169 1.00 16.92 C +ATOM 2389 C TYR B 82 16.905 42.102 24.442 1.00 16.91 C +ATOM 2390 O TYR B 82 16.224 41.084 24.603 1.00 17.52 O +ATOM 2391 CB TYR B 82 15.930 44.412 24.181 1.00 15.60 C +ATOM 2392 CG TYR B 82 14.761 43.930 23.346 1.00 17.51 C +ATOM 2393 CD1 TYR B 82 13.479 43.821 23.888 1.00 16.62 C +ATOM 2394 CD2 TYR B 82 14.925 43.653 21.988 1.00 16.93 C +ATOM 2395 CE1 TYR B 82 12.386 43.456 23.091 1.00 17.83 C +ATOM 2396 CE2 TYR B 82 13.839 43.289 21.184 1.00 18.44 C +ATOM 2397 CZ TYR B 82 12.574 43.198 21.742 1.00 19.43 C +ATOM 2398 OH TYR B 82 11.497 42.894 20.935 1.00 18.40 O +ATOM 2399 N LYS B 83 17.971 42.124 23.648 1.00 16.22 N +ATOM 2400 CA LYS B 83 18.367 40.934 22.899 1.00 16.51 C +ATOM 2401 C LYS B 83 18.808 39.772 23.783 1.00 17.81 C +ATOM 2402 O LYS B 83 18.460 38.617 23.518 1.00 18.12 O +ATOM 2403 CB LYS B 83 19.440 41.296 21.869 1.00 16.87 C +ATOM 2404 CG LYS B 83 18.822 41.842 20.577 1.00 20.61 C +ATOM 2405 CD LYS B 83 19.839 42.420 19.599 1.00 21.77 C +ATOM 2406 CE LYS B 83 20.124 43.886 19.883 1.00 22.68 C +ATOM 2407 NZ LYS B 83 20.898 44.088 21.141 1.00 25.62 N +ATOM 2408 N LYS B 84 19.556 40.060 24.842 1.00 17.09 N +ATOM 2409 CA LYS B 84 19.975 38.988 25.737 1.00 18.31 C +ATOM 2410 C LYS B 84 18.761 38.457 26.497 1.00 18.98 C +ATOM 2411 O LYS B 84 18.600 37.250 26.669 1.00 17.82 O +ATOM 2412 CB LYS B 84 21.027 39.484 26.735 1.00 17.82 C +ATOM 2413 CG LYS B 84 22.437 39.567 26.173 1.00 18.01 C +ATOM 2414 CD LYS B 84 23.443 39.846 27.279 1.00 15.93 C +ATOM 2415 CE LYS B 84 24.861 39.963 26.740 1.00 17.34 C +ATOM 2416 NZ LYS B 84 25.017 41.105 25.802 1.00 11.87 N +ATOM 2417 N LEU B 85 17.904 39.369 26.944 1.00 19.40 N +ATOM 2418 CA LEU B 85 16.711 38.997 27.694 1.00 20.88 C +ATOM 2419 C LEU B 85 15.758 38.126 26.876 1.00 21.05 C +ATOM 2420 O LEU B 85 14.914 37.432 27.440 1.00 20.68 O +ATOM 2421 CB LEU B 85 15.962 40.254 28.159 1.00 20.11 C +ATOM 2422 CG LEU B 85 16.708 41.284 29.016 1.00 18.10 C +ATOM 2423 CD1 LEU B 85 15.867 42.545 29.119 1.00 17.54 C +ATOM 2424 CD2 LEU B 85 16.995 40.716 30.401 1.00 19.90 C +ATOM 2425 N SER B 86 15.900 38.156 25.554 1.00 19.71 N +ATOM 2426 CA SER B 86 15.028 37.389 24.665 1.00 20.68 C +ATOM 2427 C SER B 86 15.269 35.883 24.669 1.00 20.43 C +ATOM 2428 O SER B 86 14.396 35.114 24.271 1.00 21.02 O +ATOM 2429 CB SER B 86 15.163 37.893 23.229 1.00 18.94 C +ATOM 2430 OG SER B 86 16.359 37.406 22.645 1.00 17.75 O +ATOM 2431 N PHE B 87 16.451 35.455 25.094 1.00 21.67 N +ATOM 2432 CA PHE B 87 16.742 34.027 25.116 1.00 21.11 C +ATOM 2433 C PHE B 87 16.194 33.390 26.390 1.00 21.27 C +ATOM 2434 O PHE B 87 15.822 34.095 27.326 1.00 22.57 O +ATOM 2435 CB PHE B 87 18.252 33.789 24.976 1.00 21.08 C +ATOM 2436 CG PHE B 87 18.789 34.151 23.615 1.00 20.07 C +ATOM 2437 CD1 PHE B 87 19.103 35.472 23.303 1.00 17.00 C +ATOM 2438 CD2 PHE B 87 18.916 33.180 22.624 1.00 17.47 C +ATOM 2439 CE1 PHE B 87 19.529 35.819 22.020 1.00 16.96 C +ATOM 2440 CE2 PHE B 87 19.340 33.519 21.338 1.00 17.56 C +ATOM 2441 CZ PHE B 87 19.647 34.843 21.038 1.00 16.46 C +ATOM 2442 N PRO B 88 16.153 32.047 26.454 1.00 21.99 N +ATOM 2443 CA PRO B 88 16.578 31.071 25.446 1.00 22.16 C +ATOM 2444 C PRO B 88 15.808 31.004 24.127 1.00 22.27 C +ATOM 2445 O PRO B 88 16.349 30.519 23.137 1.00 22.27 O +ATOM 2446 CB PRO B 88 16.527 29.749 26.208 1.00 22.14 C +ATOM 2447 CG PRO B 88 15.395 29.957 27.148 1.00 22.96 C +ATOM 2448 CD PRO B 88 15.642 31.360 27.656 1.00 22.89 C +ATOM 2449 N GLU B 89 14.563 31.475 24.098 1.00 23.74 N +ATOM 2450 CA GLU B 89 13.793 31.421 22.856 1.00 23.88 C +ATOM 2451 C GLU B 89 14.534 32.159 21.744 1.00 21.24 C +ATOM 2452 O GLU B 89 14.705 31.640 20.642 1.00 19.51 O +ATOM 2453 CB GLU B 89 12.403 32.025 23.049 1.00 28.23 C +ATOM 2454 CG GLU B 89 11.588 32.076 21.764 1.00 36.40 C +ATOM 2455 CD GLU B 89 11.378 30.705 21.144 1.00 40.79 C +ATOM 2456 OE1 GLU B 89 10.514 29.952 21.642 1.00 43.93 O +ATOM 2457 OE2 GLU B 89 12.083 30.377 20.163 1.00 43.13 O +ATOM 2458 N GLY B 90 14.977 33.374 22.039 1.00 19.41 N +ATOM 2459 CA GLY B 90 15.716 34.128 21.047 1.00 18.07 C +ATOM 2460 C GLY B 90 14.934 35.274 20.449 1.00 16.82 C +ATOM 2461 O GLY B 90 13.915 35.703 20.992 1.00 16.31 O +ATOM 2462 N PHE B 91 15.414 35.772 19.319 1.00 14.34 N +ATOM 2463 CA PHE B 91 14.758 36.889 18.667 1.00 15.64 C +ATOM 2464 C PHE B 91 15.002 36.844 17.171 1.00 16.25 C +ATOM 2465 O PHE B 91 15.845 36.084 16.689 1.00 18.07 O +ATOM 2466 CB PHE B 91 15.299 38.208 19.241 1.00 15.95 C +ATOM 2467 CG PHE B 91 16.741 38.496 18.879 1.00 15.88 C +ATOM 2468 CD1 PHE B 91 17.785 37.945 19.617 1.00 15.60 C +ATOM 2469 CD2 PHE B 91 17.051 39.340 17.816 1.00 15.77 C +ATOM 2470 CE1 PHE B 91 19.122 38.236 19.303 1.00 14.84 C +ATOM 2471 CE2 PHE B 91 18.382 39.638 17.493 1.00 14.31 C +ATOM 2472 CZ PHE B 91 19.417 39.086 18.237 1.00 14.57 C +ATOM 2473 N LYS B 92 14.251 37.654 16.439 1.00 15.61 N +ATOM 2474 CA LYS B 92 14.410 37.738 14.996 1.00 13.93 C +ATOM 2475 C LYS B 92 14.761 39.190 14.702 1.00 15.09 C +ATOM 2476 O LYS B 92 14.350 40.090 15.437 1.00 15.55 O +ATOM 2477 CB LYS B 92 13.098 37.417 14.270 1.00 14.54 C +ATOM 2478 CG LYS B 92 12.527 36.018 14.464 1.00 14.74 C +ATOM 2479 CD LYS B 92 11.194 35.899 13.703 1.00 18.35 C +ATOM 2480 CE LYS B 92 10.522 34.541 13.890 1.00 17.50 C +ATOM 2481 NZ LYS B 92 11.317 33.449 13.256 1.00 19.04 N +ATOM 2482 N TRP B 93 15.541 39.425 13.656 1.00 14.04 N +ATOM 2483 CA TRP B 93 15.827 40.797 13.279 1.00 12.94 C +ATOM 2484 C TRP B 93 15.675 40.953 11.774 1.00 11.50 C +ATOM 2485 O TRP B 93 15.817 39.992 11.015 1.00 11.92 O +ATOM 2486 CB TRP B 93 17.212 41.276 13.777 1.00 13.69 C +ATOM 2487 CG TRP B 93 18.440 40.595 13.230 1.00 14.32 C +ATOM 2488 CD1 TRP B 93 19.160 39.593 13.824 1.00 16.14 C +ATOM 2489 CD2 TRP B 93 19.126 40.909 12.010 1.00 13.56 C +ATOM 2490 NE1 TRP B 93 20.254 39.270 13.050 1.00 13.97 N +ATOM 2491 CE2 TRP B 93 20.254 40.060 11.931 1.00 13.34 C +ATOM 2492 CE3 TRP B 93 18.896 41.826 10.974 1.00 15.60 C +ATOM 2493 CZ2 TRP B 93 21.151 40.100 10.855 1.00 15.54 C +ATOM 2494 CZ3 TRP B 93 19.794 41.865 9.897 1.00 12.54 C +ATOM 2495 CH2 TRP B 93 20.903 41.007 9.851 1.00 15.68 C +ATOM 2496 N GLU B 94 15.312 42.157 11.351 1.00 11.98 N +ATOM 2497 CA GLU B 94 15.141 42.441 9.937 1.00 11.83 C +ATOM 2498 C GLU B 94 15.796 43.785 9.686 1.00 12.64 C +ATOM 2499 O GLU B 94 16.044 44.549 10.621 1.00 11.39 O +ATOM 2500 CB GLU B 94 13.653 42.436 9.556 1.00 12.38 C +ATOM 2501 CG GLU B 94 12.997 41.080 9.844 1.00 14.82 C +ATOM 2502 CD GLU B 94 11.619 40.899 9.219 1.00 14.79 C +ATOM 2503 OE1 GLU B 94 10.769 41.808 9.340 1.00 13.32 O +ATOM 2504 OE2 GLU B 94 11.383 39.826 8.620 1.00 15.98 O +ATOM 2505 N ARG B 95 16.080 44.086 8.429 1.00 12.76 N +ATOM 2506 CA ARG B 95 16.779 45.321 8.150 1.00 13.12 C +ATOM 2507 C ARG B 95 16.687 45.743 6.693 1.00 14.08 C +ATOM 2508 O ARG B 95 16.484 44.922 5.802 1.00 14.19 O +ATOM 2509 CB ARG B 95 18.245 45.124 8.567 1.00 11.67 C +ATOM 2510 CG ARG B 95 19.277 46.094 8.007 1.00 8.96 C +ATOM 2511 CD ARG B 95 20.674 45.616 8.404 1.00 11.10 C +ATOM 2512 NE ARG B 95 20.858 45.640 9.857 1.00 10.56 N +ATOM 2513 CZ ARG B 95 21.785 44.945 10.509 1.00 10.88 C +ATOM 2514 NH1 ARG B 95 22.620 44.153 9.845 1.00 10.88 N +ATOM 2515 NH2 ARG B 95 21.890 45.055 11.829 1.00 12.83 N +ATOM 2516 N VAL B 96 16.811 47.047 6.482 1.00 14.71 N +ATOM 2517 CA VAL B 96 16.805 47.635 5.155 1.00 13.50 C +ATOM 2518 C VAL B 96 18.115 48.397 5.053 1.00 12.58 C +ATOM 2519 O VAL B 96 18.495 49.101 5.988 1.00 12.38 O +ATOM 2520 CB VAL B 96 15.677 48.689 4.967 1.00 15.27 C +ATOM 2521 CG1 VAL B 96 15.797 49.326 3.582 1.00 15.46 C +ATOM 2522 CG2 VAL B 96 14.319 48.058 5.142 1.00 16.70 C +ATOM 2523 N MET B 97 18.812 48.242 3.933 1.00 12.15 N +ATOM 2524 CA MET B 97 20.039 48.986 3.695 1.00 13.70 C +ATOM 2525 C MET B 97 19.783 49.768 2.411 1.00 12.84 C +ATOM 2526 O MET B 97 19.572 49.173 1.352 1.00 10.60 O +ATOM 2527 CB MET B 97 21.243 48.054 3.507 1.00 13.74 C +ATOM 2528 CG MET B 97 21.779 47.442 4.796 1.00 15.23 C +ATOM 2529 SD MET B 97 23.349 46.583 4.541 1.00 16.09 S +ATOM 2530 CE MET B 97 22.824 45.249 3.514 1.00 17.12 C +ATOM 2531 N ASN B 98 19.756 51.094 2.512 1.00 11.80 N +ATOM 2532 CA ASN B 98 19.533 51.938 1.340 1.00 11.79 C +ATOM 2533 C ASN B 98 20.870 52.540 0.920 1.00 11.97 C +ATOM 2534 O ASN B 98 21.410 53.400 1.620 1.00 14.26 O +ATOM 2535 CB ASN B 98 18.550 53.071 1.660 1.00 10.97 C +ATOM 2536 CG ASN B 98 17.164 52.567 2.024 1.00 12.53 C +ATOM 2537 OD1 ASN B 98 16.519 51.861 1.247 1.00 11.20 O +ATOM 2538 ND2 ASN B 98 16.697 52.935 3.212 1.00 14.23 N +ATOM 2539 N PHE B 99 21.410 52.088 -0.211 1.00 12.24 N +ATOM 2540 CA PHE B 99 22.693 52.597 -0.693 1.00 12.59 C +ATOM 2541 C PHE B 99 22.481 53.884 -1.481 1.00 12.25 C +ATOM 2542 O PHE B 99 21.475 54.034 -2.167 1.00 13.74 O +ATOM 2543 CB PHE B 99 23.398 51.539 -1.554 1.00 11.20 C +ATOM 2544 CG PHE B 99 23.765 50.288 -0.793 1.00 14.37 C +ATOM 2545 CD1 PHE B 99 22.791 49.365 -0.427 1.00 13.04 C +ATOM 2546 CD2 PHE B 99 25.083 50.059 -0.402 1.00 14.12 C +ATOM 2547 CE1 PHE B 99 23.122 48.225 0.326 1.00 14.52 C +ATOM 2548 CE2 PHE B 99 25.426 48.931 0.349 1.00 13.71 C +ATOM 2549 CZ PHE B 99 24.440 48.011 0.714 1.00 14.09 C +ATOM 2550 N GLU B 100 23.426 54.815 -1.386 1.00 12.31 N +ATOM 2551 CA GLU B 100 23.271 56.089 -2.071 1.00 11.92 C +ATOM 2552 C GLU B 100 23.159 56.017 -3.586 1.00 12.50 C +ATOM 2553 O GLU B 100 22.693 56.968 -4.202 1.00 11.88 O +ATOM 2554 CB GLU B 100 24.398 57.057 -1.688 1.00 14.06 C +ATOM 2555 CG GLU B 100 25.781 56.645 -2.137 1.00 14.06 C +ATOM 2556 CD GLU B 100 26.814 57.725 -1.865 1.00 16.95 C +ATOM 2557 OE1 GLU B 100 26.567 58.895 -2.239 1.00 15.16 O +ATOM 2558 OE2 GLU B 100 27.873 57.408 -1.280 1.00 16.56 O +ATOM 2559 N ASP B 101 23.578 54.912 -4.200 1.00 11.77 N +ATOM 2560 CA ASP B 101 23.473 54.823 -5.652 1.00 13.59 C +ATOM 2561 C ASP B 101 22.286 53.984 -6.135 1.00 13.10 C +ATOM 2562 O ASP B 101 22.273 53.505 -7.269 1.00 12.71 O +ATOM 2563 CB ASP B 101 24.787 54.312 -6.270 1.00 14.26 C +ATOM 2564 CG ASP B 101 25.137 52.905 -5.838 1.00 14.49 C +ATOM 2565 OD1 ASP B 101 24.452 52.359 -4.948 1.00 15.11 O +ATOM 2566 OD2 ASP B 101 26.109 52.348 -6.393 1.00 14.34 O +ATOM 2567 N GLY B 102 21.286 53.815 -5.272 1.00 14.18 N +ATOM 2568 CA GLY B 102 20.104 53.066 -5.661 1.00 13.56 C +ATOM 2569 C GLY B 102 20.005 51.647 -5.137 1.00 13.70 C +ATOM 2570 O GLY B 102 18.907 51.101 -5.049 1.00 15.23 O +ATOM 2571 N GLY B 103 21.140 51.042 -4.802 1.00 11.55 N +ATOM 2572 CA GLY B 103 21.113 49.689 -4.280 1.00 13.96 C +ATOM 2573 C GLY B 103 20.247 49.590 -3.035 1.00 14.97 C +ATOM 2574 O GLY B 103 20.302 50.459 -2.153 1.00 14.37 O +ATOM 2575 N VAL B 104 19.429 48.543 -2.969 1.00 11.77 N +ATOM 2576 CA VAL B 104 18.558 48.325 -1.821 1.00 12.26 C +ATOM 2577 C VAL B 104 18.584 46.856 -1.419 1.00 12.34 C +ATOM 2578 O VAL B 104 18.519 45.963 -2.268 1.00 11.89 O +ATOM 2579 CB VAL B 104 17.090 48.704 -2.112 1.00 10.59 C +ATOM 2580 CG1 VAL B 104 16.237 48.446 -0.867 1.00 12.26 C +ATOM 2581 CG2 VAL B 104 16.996 50.153 -2.533 1.00 12.65 C +ATOM 2582 N VAL B 105 18.681 46.617 -0.118 1.00 11.70 N +ATOM 2583 CA VAL B 105 18.714 45.263 0.420 1.00 11.67 C +ATOM 2584 C VAL B 105 17.797 45.135 1.623 1.00 11.68 C +ATOM 2585 O VAL B 105 17.696 46.060 2.427 1.00 9.44 O +ATOM 2586 CB VAL B 105 20.129 44.877 0.925 1.00 10.48 C +ATOM 2587 CG1 VAL B 105 20.057 43.565 1.686 1.00 10.61 C +ATOM 2588 CG2 VAL B 105 21.105 44.773 -0.224 1.00 11.69 C +ATOM 2589 N THR B 106 17.118 43.994 1.734 1.00 10.46 N +ATOM 2590 CA THR B 106 16.293 43.714 2.898 1.00 10.99 C +ATOM 2591 C THR B 106 16.821 42.394 3.430 1.00 13.80 C +ATOM 2592 O THR B 106 17.215 41.507 2.661 1.00 11.26 O +ATOM 2593 CB THR B 106 14.780 43.574 2.591 1.00 11.97 C +ATOM 2594 OG1 THR B 106 14.574 42.582 1.581 1.00 12.74 O +ATOM 2595 CG2 THR B 106 14.203 44.915 2.158 1.00 11.99 C +ATOM 2596 N VAL B 107 16.846 42.278 4.750 1.00 11.98 N +ATOM 2597 CA VAL B 107 17.351 41.082 5.400 1.00 12.45 C +ATOM 2598 C VAL B 107 16.363 40.632 6.466 1.00 11.78 C +ATOM 2599 O VAL B 107 15.679 41.453 7.074 1.00 11.59 O +ATOM 2600 CB VAL B 107 18.713 41.376 6.083 1.00 12.65 C +ATOM 2601 CG1 VAL B 107 19.348 40.079 6.593 1.00 13.36 C +ATOM 2602 CG2 VAL B 107 19.646 42.081 5.106 1.00 13.75 C +ATOM 2603 N THR B 108 16.255 39.325 6.664 1.00 13.42 N +ATOM 2604 CA THR B 108 15.391 38.801 7.711 1.00 12.42 C +ATOM 2605 C THR B 108 16.210 37.690 8.344 1.00 14.20 C +ATOM 2606 O THR B 108 16.845 36.905 7.640 1.00 12.51 O +ATOM 2607 CB THR B 108 14.043 38.283 7.165 1.00 14.28 C +ATOM 2608 OG1 THR B 108 13.201 37.929 8.271 1.00 16.65 O +ATOM 2609 CG2 THR B 108 14.236 37.077 6.249 1.00 16.34 C +ATOM 2610 N GLN B 109 16.215 37.638 9.671 1.00 14.27 N +ATOM 2611 CA GLN B 109 17.034 36.659 10.377 1.00 15.22 C +ATOM 2612 C GLN B 109 16.358 36.128 11.627 1.00 16.63 C +ATOM 2613 O GLN B 109 15.513 36.793 12.227 1.00 16.92 O +ATOM 2614 CB GLN B 109 18.375 37.312 10.759 1.00 13.43 C +ATOM 2615 CG GLN B 109 19.451 36.349 11.264 1.00 13.20 C +ATOM 2616 CD GLN B 109 19.575 36.316 12.770 1.00 11.14 C +ATOM 2617 OE1 GLN B 109 18.601 36.515 13.493 1.00 9.64 O +ATOM 2618 NE2 GLN B 109 20.782 36.045 13.255 1.00 13.91 N +ATOM 2619 N ASP B 110 16.743 34.917 12.013 1.00 17.22 N +ATOM 2620 CA ASP B 110 16.208 34.293 13.208 1.00 17.50 C +ATOM 2621 C ASP B 110 17.376 33.820 14.060 1.00 18.29 C +ATOM 2622 O ASP B 110 18.296 33.165 13.562 1.00 17.12 O +ATOM 2623 CB ASP B 110 15.312 33.106 12.845 1.00 17.72 C +ATOM 2624 CG ASP B 110 14.670 32.473 14.068 1.00 17.30 C +ATOM 2625 OD1 ASP B 110 15.390 31.855 14.870 1.00 20.09 O +ATOM 2626 OD2 ASP B 110 13.446 32.607 14.233 1.00 19.37 O +ATOM 2627 N SER B 111 17.347 34.172 15.341 1.00 19.18 N +ATOM 2628 CA SER B 111 18.404 33.779 16.261 1.00 18.23 C +ATOM 2629 C SER B 111 17.820 32.915 17.369 1.00 19.87 C +ATOM 2630 O SER B 111 16.909 33.333 18.088 1.00 20.39 O +ATOM 2631 CB SER B 111 19.073 35.012 16.872 1.00 18.11 C +ATOM 2632 OG SER B 111 19.685 35.816 15.877 1.00 20.78 O +ATOM 2633 N SER B 112 18.343 31.703 17.494 1.00 20.05 N +ATOM 2634 CA SER B 112 17.878 30.778 18.514 1.00 22.72 C +ATOM 2635 C SER B 112 19.059 30.259 19.324 1.00 22.57 C +ATOM 2636 O SER B 112 20.209 30.598 19.051 1.00 22.71 O +ATOM 2637 CB SER B 112 17.148 29.606 17.860 1.00 22.44 C +ATOM 2638 OG SER B 112 18.008 28.905 16.979 1.00 23.56 O +ATOM 2639 N LEU B 113 18.764 29.441 20.326 1.00 25.30 N +ATOM 2640 CA LEU B 113 19.795 28.859 21.172 1.00 25.64 C +ATOM 2641 C LEU B 113 19.610 27.349 21.158 1.00 26.93 C +ATOM 2642 O LEU B 113 18.620 26.839 21.672 1.00 27.44 O +ATOM 2643 CB LEU B 113 19.670 29.382 22.605 1.00 26.21 C +ATOM 2644 CG LEU B 113 20.661 28.781 23.607 1.00 25.23 C +ATOM 2645 CD1 LEU B 113 22.070 29.224 23.259 1.00 26.47 C +ATOM 2646 CD2 LEU B 113 20.303 29.214 25.014 1.00 24.64 C +ATOM 2647 N GLN B 114 20.558 26.641 20.555 1.00 28.24 N +ATOM 2648 CA GLN B 114 20.487 25.189 20.472 1.00 30.74 C +ATOM 2649 C GLN B 114 21.733 24.550 21.076 1.00 30.14 C +ATOM 2650 O GLN B 114 22.847 24.754 20.592 1.00 30.29 O +ATOM 2651 CB GLN B 114 20.323 24.752 19.011 1.00 32.78 C +ATOM 2652 CG GLN B 114 20.215 23.242 18.812 1.00 38.09 C +ATOM 2653 CD GLN B 114 19.826 22.864 17.392 1.00 40.48 C +ATOM 2654 OE1 GLN B 114 18.768 23.265 16.900 1.00 42.10 O +ATOM 2655 NE2 GLN B 114 20.678 22.089 16.728 1.00 41.84 N +ATOM 2656 N ASP B 115 21.526 23.782 22.142 1.00 30.22 N +ATOM 2657 CA ASP B 115 22.607 23.098 22.847 1.00 29.68 C +ATOM 2658 C ASP B 115 23.742 24.029 23.261 1.00 28.31 C +ATOM 2659 O ASP B 115 24.909 23.752 22.995 1.00 26.77 O +ATOM 2660 CB ASP B 115 23.165 21.958 21.994 1.00 31.48 C +ATOM 2661 CG ASP B 115 22.124 20.899 21.690 1.00 34.30 C +ATOM 2662 OD1 ASP B 115 21.476 20.404 22.641 1.00 35.10 O +ATOM 2663 OD2 ASP B 115 21.956 20.559 20.499 1.00 35.43 O +ATOM 2664 N GLY B 116 23.386 25.129 23.917 1.00 28.24 N +ATOM 2665 CA GLY B 116 24.380 26.083 24.381 1.00 27.74 C +ATOM 2666 C GLY B 116 25.095 26.845 23.283 1.00 27.39 C +ATOM 2667 O GLY B 116 26.108 27.500 23.535 1.00 27.09 O +ATOM 2668 N CYS B 117 24.566 26.770 22.067 1.00 27.12 N +ATOM 2669 CA CYS B 117 25.161 27.456 20.923 1.00 26.57 C +ATOM 2670 C CYS B 117 24.109 28.286 20.183 1.00 24.56 C +ATOM 2671 O CYS B 117 23.007 27.807 19.919 1.00 21.70 O +ATOM 2672 CB CYS B 117 25.773 26.420 19.976 1.00 30.11 C +ATOM 2673 SG CYS B 117 26.511 27.085 18.482 1.00 36.82 S +ATOM 2674 N PHE B 118 24.445 29.534 19.862 1.00 21.97 N +ATOM 2675 CA PHE B 118 23.519 30.407 19.144 1.00 21.04 C +ATOM 2676 C PHE B 118 23.427 29.932 17.702 1.00 21.01 C +ATOM 2677 O PHE B 118 24.436 29.574 17.093 1.00 21.49 O +ATOM 2678 CB PHE B 118 24.009 31.859 19.154 1.00 20.07 C +ATOM 2679 CG PHE B 118 23.895 32.543 20.489 1.00 20.42 C +ATOM 2680 CD1 PHE B 118 22.669 32.643 21.135 1.00 19.61 C +ATOM 2681 CD2 PHE B 118 25.008 33.140 21.072 1.00 20.12 C +ATOM 2682 CE1 PHE B 118 22.552 33.332 22.337 1.00 20.59 C +ATOM 2683 CE2 PHE B 118 24.900 33.832 22.275 1.00 20.32 C +ATOM 2684 CZ PHE B 118 23.667 33.929 22.908 1.00 20.55 C +ATOM 2685 N ILE B 119 22.216 29.926 17.158 1.00 19.76 N +ATOM 2686 CA ILE B 119 22.006 29.501 15.783 1.00 19.05 C +ATOM 2687 C ILE B 119 21.409 30.663 14.985 1.00 17.91 C +ATOM 2688 O ILE B 119 20.352 31.181 15.332 1.00 18.39 O +ATOM 2689 CB ILE B 119 21.048 28.292 15.727 1.00 20.34 C +ATOM 2690 CG1 ILE B 119 21.614 27.139 16.558 1.00 20.95 C +ATOM 2691 CG2 ILE B 119 20.849 27.848 14.290 1.00 18.51 C +ATOM 2692 CD1 ILE B 119 22.944 26.619 16.060 1.00 22.10 C +ATOM 2693 N TYR B 120 22.094 31.070 13.919 1.00 18.52 N +ATOM 2694 CA TYR B 120 21.638 32.182 13.080 1.00 16.82 C +ATOM 2695 C TYR B 120 21.219 31.705 11.691 1.00 16.81 C +ATOM 2696 O TYR B 120 21.983 31.022 11.009 1.00 16.51 O +ATOM 2697 CB TYR B 120 22.761 33.215 12.912 1.00 15.52 C +ATOM 2698 CG TYR B 120 23.241 33.893 14.180 1.00 16.24 C +ATOM 2699 CD1 TYR B 120 22.476 33.885 15.345 1.00 15.30 C +ATOM 2700 CD2 TYR B 120 24.469 34.556 14.207 1.00 17.17 C +ATOM 2701 CE1 TYR B 120 22.920 34.515 16.501 1.00 15.97 C +ATOM 2702 CE2 TYR B 120 24.925 35.191 15.361 1.00 16.45 C +ATOM 2703 CZ TYR B 120 24.146 35.168 16.501 1.00 16.75 C +ATOM 2704 OH TYR B 120 24.593 35.808 17.635 1.00 17.92 O +ATOM 2705 N LYS B 121 20.009 32.072 11.275 1.00 17.18 N +ATOM 2706 CA LYS B 121 19.488 31.721 9.951 1.00 17.77 C +ATOM 2707 C LYS B 121 19.193 33.052 9.259 1.00 18.10 C +ATOM 2708 O LYS B 121 18.369 33.828 9.744 1.00 19.45 O +ATOM 2709 CB LYS B 121 18.200 30.899 10.079 1.00 18.90 C +ATOM 2710 CG LYS B 121 18.392 29.496 10.668 1.00 22.99 C +ATOM 2711 CD LYS B 121 17.731 29.356 12.052 1.00 26.51 C +ATOM 2712 CE LYS B 121 18.422 30.230 13.104 1.00 25.51 C +ATOM 2713 NZ LYS B 121 17.726 30.248 14.432 1.00 20.55 N +ATOM 2714 N VAL B 122 19.859 33.322 8.140 1.00 17.12 N +ATOM 2715 CA VAL B 122 19.671 34.603 7.452 1.00 16.24 C +ATOM 2716 C VAL B 122 19.237 34.508 5.992 1.00 16.75 C +ATOM 2717 O VAL B 122 19.744 33.681 5.236 1.00 16.39 O +ATOM 2718 CB VAL B 122 20.979 35.441 7.459 1.00 17.52 C +ATOM 2719 CG1 VAL B 122 20.652 36.917 7.258 1.00 17.68 C +ATOM 2720 CG2 VAL B 122 21.757 35.212 8.747 1.00 17.58 C +ATOM 2721 N LYS B 123 18.298 35.371 5.607 1.00 15.71 N +ATOM 2722 CA LYS B 123 17.826 35.443 4.228 1.00 14.79 C +ATOM 2723 C LYS B 123 18.152 36.863 3.782 1.00 13.75 C +ATOM 2724 O LYS B 123 17.883 37.821 4.502 1.00 12.55 O +ATOM 2725 CB LYS B 123 16.334 35.134 4.138 1.00 16.34 C +ATOM 2726 CG LYS B 123 16.036 33.673 4.478 1.00 17.92 C +ATOM 2727 CD LYS B 123 14.709 33.190 3.907 1.00 22.12 C +ATOM 2728 CE LYS B 123 14.495 31.713 4.225 1.00 24.28 C +ATOM 2729 NZ LYS B 123 13.339 31.125 3.488 1.00 27.53 N +ATOM 2730 N PHE B 124 18.719 36.981 2.587 1.00 12.46 N +ATOM 2731 CA PHE B 124 19.207 38.256 2.067 1.00 13.95 C +ATOM 2732 C PHE B 124 18.831 38.465 0.602 1.00 14.32 C +ATOM 2733 O PHE B 124 19.036 37.578 -0.219 1.00 17.19 O +ATOM 2734 CB PHE B 124 20.744 38.223 2.233 1.00 12.90 C +ATOM 2735 CG PHE B 124 21.466 39.497 1.859 1.00 12.95 C +ATOM 2736 CD1 PHE B 124 21.689 39.829 0.527 1.00 11.97 C +ATOM 2737 CD2 PHE B 124 22.003 40.318 2.853 1.00 11.90 C +ATOM 2738 CE1 PHE B 124 22.447 40.956 0.184 1.00 12.60 C +ATOM 2739 CE2 PHE B 124 22.762 41.447 2.524 1.00 11.28 C +ATOM 2740 CZ PHE B 124 22.985 41.766 1.187 1.00 13.32 C +ATOM 2741 N ILE B 125 18.271 39.632 0.282 1.00 13.39 N +ATOM 2742 CA ILE B 125 17.919 39.972 -1.099 1.00 13.23 C +ATOM 2743 C ILE B 125 18.416 41.385 -1.388 1.00 11.85 C +ATOM 2744 O ILE B 125 17.965 42.349 -0.765 1.00 12.87 O +ATOM 2745 CB ILE B 125 16.395 39.950 -1.362 1.00 12.77 C +ATOM 2746 CG1 ILE B 125 15.867 38.516 -1.309 1.00 13.82 C +ATOM 2747 CG2 ILE B 125 16.100 40.553 -2.747 1.00 13.10 C +ATOM 2748 CD1 ILE B 125 14.357 38.412 -1.555 1.00 13.69 C +ATOM 2749 N GLY B 126 19.356 41.495 -2.320 1.00 10.73 N +ATOM 2750 CA GLY B 126 19.899 42.788 -2.689 1.00 10.84 C +ATOM 2751 C GLY B 126 19.578 43.067 -4.142 1.00 12.07 C +ATOM 2752 O GLY B 126 19.819 42.217 -5.006 1.00 11.50 O +ATOM 2753 N VAL B 127 19.043 44.251 -4.423 1.00 12.16 N +ATOM 2754 CA VAL B 127 18.680 44.597 -5.790 1.00 12.54 C +ATOM 2755 C VAL B 127 19.051 46.029 -6.176 1.00 12.63 C +ATOM 2756 O VAL B 127 19.405 46.848 -5.327 1.00 12.41 O +ATOM 2757 CB VAL B 127 17.152 44.416 -6.014 1.00 12.79 C +ATOM 2758 CG1 VAL B 127 16.712 43.044 -5.535 1.00 14.49 C +ATOM 2759 CG2 VAL B 127 16.377 45.503 -5.274 1.00 12.44 C +ATOM 2760 N ASN B 128 18.982 46.303 -7.476 1.00 14.36 N +ATOM 2761 CA ASN B 128 19.246 47.623 -8.044 1.00 13.64 C +ATOM 2762 C ASN B 128 20.652 48.197 -7.896 1.00 15.06 C +ATOM 2763 O ASN B 128 20.819 49.421 -7.875 1.00 11.15 O +ATOM 2764 CB ASN B 128 18.218 48.625 -7.493 1.00 14.22 C +ATOM 2765 CG ASN B 128 17.901 49.748 -8.472 1.00 16.42 C +ATOM 2766 OD1 ASN B 128 18.191 49.651 -9.669 1.00 14.30 O +ATOM 2767 ND2 ASN B 128 17.278 50.812 -7.970 1.00 16.89 N +ATOM 2768 N PHE B 129 21.664 47.337 -7.793 1.00 13.38 N +ATOM 2769 CA PHE B 129 23.036 47.820 -7.693 1.00 14.13 C +ATOM 2770 C PHE B 129 23.560 48.072 -9.108 1.00 15.03 C +ATOM 2771 O PHE B 129 23.526 47.178 -9.953 1.00 14.83 O +ATOM 2772 CB PHE B 129 23.942 46.796 -6.998 1.00 15.18 C +ATOM 2773 CG PHE B 129 23.686 46.652 -5.527 1.00 14.07 C +ATOM 2774 CD1 PHE B 129 24.246 47.550 -4.625 1.00 15.44 C +ATOM 2775 CD2 PHE B 129 22.864 45.642 -5.040 1.00 18.46 C +ATOM 2776 CE1 PHE B 129 23.992 47.446 -3.263 1.00 14.71 C +ATOM 2777 CE2 PHE B 129 22.604 45.529 -3.669 1.00 15.81 C +ATOM 2778 CZ PHE B 129 23.171 46.435 -2.781 1.00 14.96 C +ATOM 2779 N PRO B 130 24.031 49.299 -9.391 1.00 15.07 N +ATOM 2780 CA PRO B 130 24.557 49.624 -10.723 1.00 14.04 C +ATOM 2781 C PRO B 130 25.693 48.665 -11.059 1.00 17.07 C +ATOM 2782 O PRO B 130 26.567 48.427 -10.228 1.00 17.49 O +ATOM 2783 CB PRO B 130 25.043 51.061 -10.559 1.00 15.67 C +ATOM 2784 CG PRO B 130 24.101 51.618 -9.522 1.00 14.09 C +ATOM 2785 CD PRO B 130 24.030 50.487 -8.519 1.00 13.66 C +ATOM 2786 N SER B 131 25.683 48.108 -12.267 1.00 20.34 N +ATOM 2787 CA SER B 131 26.722 47.156 -12.663 1.00 22.38 C +ATOM 2788 C SER B 131 28.107 47.791 -12.641 1.00 22.81 C +ATOM 2789 O SER B 131 29.119 47.097 -12.582 1.00 23.41 O +ATOM 2790 CB SER B 131 26.436 46.602 -14.062 1.00 23.28 C +ATOM 2791 OG SER B 131 26.509 47.624 -15.039 1.00 27.72 O +ATOM 2792 N ASP B 132 28.134 49.116 -12.675 1.00 22.12 N +ATOM 2793 CA ASP B 132 29.368 49.885 -12.670 1.00 23.76 C +ATOM 2794 C ASP B 132 29.659 50.445 -11.281 1.00 22.18 C +ATOM 2795 O ASP B 132 30.674 51.111 -11.076 1.00 22.69 O +ATOM 2796 CB ASP B 132 29.221 51.040 -13.648 1.00 28.08 C +ATOM 2797 CG ASP B 132 28.013 51.898 -13.327 1.00 31.95 C +ATOM 2798 OD1 ASP B 132 28.152 52.850 -12.527 1.00 34.91 O +ATOM 2799 OD2 ASP B 132 26.917 51.598 -13.851 1.00 33.61 O +ATOM 2800 N GLY B 133 28.760 50.183 -10.339 1.00 19.74 N +ATOM 2801 CA GLY B 133 28.928 50.688 -8.986 1.00 19.26 C +ATOM 2802 C GLY B 133 30.011 50.011 -8.162 1.00 17.80 C +ATOM 2803 O GLY B 133 30.566 48.993 -8.576 1.00 18.31 O +ATOM 2804 N PRO B 134 30.327 50.559 -6.977 1.00 16.99 N +ATOM 2805 CA PRO B 134 31.350 50.025 -6.068 1.00 15.41 C +ATOM 2806 C PRO B 134 31.075 48.587 -5.646 1.00 15.07 C +ATOM 2807 O PRO B 134 31.999 47.814 -5.401 1.00 14.62 O +ATOM 2808 CB PRO B 134 31.288 50.972 -4.867 1.00 16.68 C +ATOM 2809 CG PRO B 134 30.700 52.227 -5.420 1.00 16.32 C +ATOM 2810 CD PRO B 134 29.670 51.738 -6.388 1.00 17.98 C +ATOM 2811 N VAL B 135 29.798 48.232 -5.554 1.00 13.71 N +ATOM 2812 CA VAL B 135 29.424 46.890 -5.129 1.00 13.80 C +ATOM 2813 C VAL B 135 29.712 45.811 -6.165 1.00 14.46 C +ATOM 2814 O VAL B 135 30.400 44.827 -5.873 1.00 16.43 O +ATOM 2815 CB VAL B 135 27.934 46.832 -4.742 1.00 12.52 C +ATOM 2816 CG1 VAL B 135 27.543 45.404 -4.393 1.00 12.65 C +ATOM 2817 CG2 VAL B 135 27.677 47.749 -3.549 1.00 10.63 C +ATOM 2818 N MET B 136 29.196 45.990 -7.374 1.00 14.81 N +ATOM 2819 CA MET B 136 29.407 45.003 -8.428 1.00 15.79 C +ATOM 2820 C MET B 136 30.820 45.028 -8.994 1.00 17.26 C +ATOM 2821 O MET B 136 31.257 44.070 -9.631 1.00 17.25 O +ATOM 2822 CB MET B 136 28.399 45.206 -9.562 1.00 14.33 C +ATOM 2823 CG MET B 136 26.936 45.060 -9.143 1.00 14.01 C +ATOM 2824 SD MET B 136 26.576 43.583 -8.178 1.00 17.91 S +ATOM 2825 CE MET B 136 26.744 42.279 -9.418 1.00 13.65 C +ATOM 2826 N GLN B 137 31.531 46.125 -8.758 1.00 17.15 N +ATOM 2827 CA GLN B 137 32.896 46.276 -9.244 1.00 20.09 C +ATOM 2828 C GLN B 137 33.913 45.954 -8.141 1.00 20.19 C +ATOM 2829 O GLN B 137 35.121 45.943 -8.380 1.00 19.50 O +ATOM 2830 CB GLN B 137 33.104 47.709 -9.733 1.00 23.39 C +ATOM 2831 CG GLN B 137 34.142 47.842 -10.827 1.00 31.54 C +ATOM 2832 CD GLN B 137 33.717 47.165 -12.117 1.00 31.88 C +ATOM 2833 OE1 GLN B 137 34.487 47.094 -13.073 1.00 35.78 O +ATOM 2834 NE2 GLN B 137 32.484 46.670 -12.154 1.00 33.55 N +ATOM 2835 N LYS B 138 33.410 45.699 -6.935 1.00 18.03 N +ATOM 2836 CA LYS B 138 34.244 45.376 -5.779 1.00 18.01 C +ATOM 2837 C LYS B 138 35.296 46.454 -5.524 1.00 18.05 C +ATOM 2838 O LYS B 138 36.491 46.167 -5.496 1.00 17.20 O +ATOM 2839 CB LYS B 138 34.938 44.026 -5.981 1.00 17.24 C +ATOM 2840 CG LYS B 138 34.005 42.899 -6.373 1.00 20.78 C +ATOM 2841 CD LYS B 138 34.749 41.575 -6.420 1.00 21.85 C +ATOM 2842 CE LYS B 138 34.056 40.603 -7.349 1.00 24.93 C +ATOM 2843 NZ LYS B 138 34.032 41.142 -8.740 1.00 25.65 N +ATOM 2844 N LYS B 139 34.847 47.691 -5.329 1.00 18.56 N +ATOM 2845 CA LYS B 139 35.758 48.808 -5.083 1.00 19.77 C +ATOM 2846 C LYS B 139 35.765 49.244 -3.613 1.00 18.98 C +ATOM 2847 O LYS B 139 36.265 50.322 -3.288 1.00 19.37 O +ATOM 2848 CB LYS B 139 35.361 50.014 -5.947 1.00 23.34 C +ATOM 2849 CG LYS B 139 35.379 49.797 -7.462 1.00 26.92 C +ATOM 2850 CD LYS B 139 36.795 49.724 -8.033 1.00 30.24 C +ATOM 2851 CE LYS B 139 37.420 48.355 -7.819 1.00 31.82 C +ATOM 2852 NZ LYS B 139 38.804 48.272 -8.360 1.00 34.70 N +ATOM 2853 N THR B 140 35.221 48.414 -2.727 1.00 19.17 N +ATOM 2854 CA THR B 140 35.157 48.771 -1.312 1.00 18.28 C +ATOM 2855 C THR B 140 36.259 48.156 -0.458 1.00 19.03 C +ATOM 2856 O THR B 140 36.821 47.118 -0.802 1.00 18.50 O +ATOM 2857 CB THR B 140 33.787 48.402 -0.706 1.00 16.70 C +ATOM 2858 OG1 THR B 140 33.613 46.981 -0.710 1.00 15.83 O +ATOM 2859 CG2 THR B 140 32.670 49.047 -1.509 1.00 16.92 C +ATOM 2860 N MET B 141 36.547 48.810 0.665 1.00 19.12 N +ATOM 2861 CA MET B 141 37.595 48.372 1.582 1.00 20.91 C +ATOM 2862 C MET B 141 37.183 48.359 3.048 1.00 18.86 C +ATOM 2863 O MET B 141 37.940 48.831 3.894 1.00 19.76 O +ATOM 2864 CB MET B 141 38.804 49.292 1.474 1.00 25.15 C +ATOM 2865 CG MET B 141 39.564 49.244 0.190 1.00 30.16 C +ATOM 2866 SD MET B 141 40.864 50.494 0.282 1.00 34.64 S +ATOM 2867 CE MET B 141 41.587 50.125 1.852 1.00 32.12 C +ATOM 2868 N GLY B 142 36.005 47.840 3.365 1.00 16.20 N +ATOM 2869 CA GLY B 142 35.599 47.799 4.759 1.00 15.29 C +ATOM 2870 C GLY B 142 34.807 49.001 5.240 1.00 15.24 C +ATOM 2871 O GLY B 142 34.824 50.071 4.622 1.00 12.72 O +ATOM 2872 N TRP B 143 34.114 48.822 6.359 1.00 14.64 N +ATOM 2873 CA TRP B 143 33.289 49.878 6.929 1.00 14.49 C +ATOM 2874 C TRP B 143 34.038 50.753 7.912 1.00 15.31 C +ATOM 2875 O TRP B 143 35.028 50.333 8.508 1.00 16.95 O +ATOM 2876 CB TRP B 143 32.095 49.285 7.686 1.00 15.39 C +ATOM 2877 CG TRP B 143 31.220 48.393 6.894 1.00 14.12 C +ATOM 2878 CD1 TRP B 143 31.346 47.041 6.739 1.00 13.81 C +ATOM 2879 CD2 TRP B 143 30.056 48.778 6.159 1.00 14.67 C +ATOM 2880 NE1 TRP B 143 30.326 46.559 5.956 1.00 13.55 N +ATOM 2881 CE2 TRP B 143 29.519 47.604 5.585 1.00 14.21 C +ATOM 2882 CE3 TRP B 143 29.413 50.002 5.929 1.00 15.59 C +ATOM 2883 CZ2 TRP B 143 28.366 47.617 4.795 1.00 13.49 C +ATOM 2884 CZ3 TRP B 143 28.262 50.017 5.142 1.00 14.21 C +ATOM 2885 CH2 TRP B 143 27.752 48.830 4.586 1.00 12.97 C +ATOM 2886 N GLU B 144 33.552 51.978 8.070 1.00 15.19 N +ATOM 2887 CA GLU B 144 34.104 52.904 9.044 1.00 14.06 C +ATOM 2888 C GLU B 144 33.395 52.442 10.313 1.00 13.97 C +ATOM 2889 O GLU B 144 32.366 51.760 10.224 1.00 13.53 O +ATOM 2890 CB GLU B 144 33.661 54.341 8.738 1.00 13.97 C +ATOM 2891 CG GLU B 144 34.299 54.985 7.509 1.00 12.71 C +ATOM 2892 CD GLU B 144 35.731 55.429 7.763 1.00 17.67 C +ATOM 2893 OE1 GLU B 144 36.265 55.139 8.857 1.00 18.98 O +ATOM 2894 OE2 GLU B 144 36.323 56.071 6.870 1.00 16.67 O +ATOM 2895 N ALA B 145 33.930 52.790 11.479 1.00 12.52 N +ATOM 2896 CA ALA B 145 33.279 52.434 12.738 1.00 12.37 C +ATOM 2897 C ALA B 145 31.971 53.217 12.699 1.00 12.95 C +ATOM 2898 O ALA B 145 31.914 54.300 12.109 1.00 10.48 O +ATOM 2899 CB ALA B 145 34.131 52.871 13.921 1.00 13.27 C +ATOM 2900 N SER B 146 30.924 52.700 13.334 1.00 11.99 N +ATOM 2901 CA SER B 146 29.632 53.373 13.264 1.00 12.80 C +ATOM 2902 C SER B 146 28.914 53.581 14.588 1.00 12.88 C +ATOM 2903 O SER B 146 29.338 53.090 15.631 1.00 14.03 O +ATOM 2904 CB SER B 146 28.711 52.584 12.338 1.00 13.36 C +ATOM 2905 OG SER B 146 28.333 51.366 12.952 1.00 12.43 O +ATOM 2906 N THR B 147 27.804 54.310 14.526 1.00 13.98 N +ATOM 2907 CA THR B 147 26.997 54.585 15.714 1.00 12.85 C +ATOM 2908 C THR B 147 25.512 54.514 15.382 1.00 14.99 C +ATOM 2909 O THR B 147 24.994 55.334 14.619 1.00 14.71 O +ATOM 2910 CB THR B 147 27.330 55.968 16.288 1.00 13.12 C +ATOM 2911 OG1 THR B 147 28.688 55.964 16.749 1.00 11.16 O +ATOM 2912 CG2 THR B 147 26.386 56.321 17.442 1.00 10.87 C +ATOM 2913 N GLU B 148 24.842 53.523 15.967 1.00 13.39 N +ATOM 2914 CA GLU B 148 23.415 53.281 15.760 1.00 14.57 C +ATOM 2915 C GLU B 148 22.554 54.025 16.781 1.00 14.23 C +ATOM 2916 O GLU B 148 22.905 54.116 17.957 1.00 12.45 O +ATOM 2917 CB GLU B 148 23.149 51.770 15.840 1.00 13.99 C +ATOM 2918 CG GLU B 148 21.685 51.326 15.791 1.00 13.20 C +ATOM 2919 CD GLU B 148 21.538 49.797 15.806 1.00 15.25 C +ATOM 2920 OE1 GLU B 148 22.312 49.122 16.519 1.00 14.67 O +ATOM 2921 OE2 GLU B 148 20.641 49.262 15.117 1.00 13.52 O +ATOM 2922 N ARG B 149 21.432 54.562 16.313 1.00 13.39 N +ATOM 2923 CA ARG B 149 20.497 55.288 17.165 1.00 14.28 C +ATOM 2924 C ARG B 149 19.308 54.352 17.365 1.00 13.14 C +ATOM 2925 O ARG B 149 18.612 54.016 16.408 1.00 13.58 O +ATOM 2926 CB ARG B 149 20.069 56.592 16.466 1.00 14.19 C +ATOM 2927 CG ARG B 149 19.150 57.513 17.266 1.00 13.39 C +ATOM 2928 CD ARG B 149 17.743 56.945 17.370 1.00 14.25 C +ATOM 2929 NE ARG B 149 17.132 56.719 16.061 1.00 13.91 N +ATOM 2930 CZ ARG B 149 16.574 57.662 15.307 1.00 12.85 C +ATOM 2931 NH1 ARG B 149 16.544 58.918 15.726 1.00 12.77 N +ATOM 2932 NH2 ARG B 149 16.031 57.343 14.134 1.00 10.12 N +ATOM 2933 N LEU B 150 19.078 53.925 18.604 1.00 13.99 N +ATOM 2934 CA LEU B 150 17.976 53.013 18.897 1.00 13.59 C +ATOM 2935 C LEU B 150 16.866 53.610 19.755 1.00 14.64 C +ATOM 2936 O LEU B 150 17.070 54.587 20.483 1.00 14.54 O +ATOM 2937 CB LEU B 150 18.503 51.743 19.579 1.00 12.14 C +ATOM 2938 CG LEU B 150 19.527 50.904 18.814 1.00 11.16 C +ATOM 2939 CD1 LEU B 150 20.936 51.226 19.301 1.00 11.29 C +ATOM 2940 CD2 LEU B 150 19.236 49.426 19.040 1.00 11.75 C +ATOM 2941 N TYR B 151 15.688 53.004 19.662 1.00 12.98 N +ATOM 2942 CA TYR B 151 14.527 53.438 20.423 1.00 13.43 C +ATOM 2943 C TYR B 151 13.459 52.358 20.371 1.00 13.30 C +ATOM 2944 O TYR B 151 13.445 51.519 19.461 1.00 12.99 O +ATOM 2945 CB TYR B 151 13.960 54.741 19.836 1.00 13.54 C +ATOM 2946 CG TYR B 151 13.605 54.604 18.374 1.00 14.64 C +ATOM 2947 CD1 TYR B 151 14.575 54.798 17.391 1.00 14.41 C +ATOM 2948 CD2 TYR B 151 12.335 54.174 17.973 1.00 14.92 C +ATOM 2949 CE1 TYR B 151 14.301 54.557 16.054 1.00 13.60 C +ATOM 2950 CE2 TYR B 151 12.047 53.930 16.621 1.00 11.95 C +ATOM 2951 CZ TYR B 151 13.043 54.120 15.674 1.00 13.23 C +ATOM 2952 OH TYR B 151 12.815 53.827 14.353 1.00 11.82 O +ATOM 2953 N PRO B 152 12.559 52.349 21.363 1.00 12.81 N +ATOM 2954 CA PRO B 152 11.483 51.359 21.396 1.00 13.66 C +ATOM 2955 C PRO B 152 10.297 51.835 20.553 1.00 15.12 C +ATOM 2956 O PRO B 152 10.064 53.041 20.424 1.00 13.41 O +ATOM 2957 CB PRO B 152 11.137 51.281 22.883 1.00 13.53 C +ATOM 2958 CG PRO B 152 11.378 52.690 23.344 1.00 14.17 C +ATOM 2959 CD PRO B 152 12.687 53.036 22.661 1.00 11.85 C +ATOM 2960 N ARG B 153 9.562 50.891 19.973 1.00 15.21 N +ATOM 2961 CA ARG B 153 8.379 51.215 19.172 1.00 16.54 C +ATOM 2962 C ARG B 153 7.607 49.956 18.796 1.00 16.62 C +ATOM 2963 O ARG B 153 8.199 48.945 18.427 1.00 18.29 O +ATOM 2964 CB ARG B 153 8.759 51.982 17.897 1.00 15.69 C +ATOM 2965 CG ARG B 153 7.553 52.268 16.997 1.00 16.97 C +ATOM 2966 CD ARG B 153 7.911 53.081 15.751 1.00 18.27 C +ATOM 2967 NE ARG B 153 8.117 54.497 16.048 1.00 18.48 N +ATOM 2968 CZ ARG B 153 8.212 55.442 15.117 1.00 18.29 C +ATOM 2969 NH1 ARG B 153 8.120 55.118 13.834 1.00 18.88 N +ATOM 2970 NH2 ARG B 153 8.392 56.711 15.466 1.00 18.97 N +ATOM 2971 N ASP B 154 6.281 50.028 18.885 1.00 19.54 N +ATOM 2972 CA ASP B 154 5.414 48.893 18.560 1.00 20.67 C +ATOM 2973 C ASP B 154 5.826 47.623 19.302 1.00 20.45 C +ATOM 2974 O ASP B 154 5.762 46.525 18.746 1.00 19.07 O +ATOM 2975 CB ASP B 154 5.425 48.608 17.053 1.00 23.57 C +ATOM 2976 CG ASP B 154 4.714 49.676 16.246 1.00 26.86 C +ATOM 2977 OD1 ASP B 154 4.057 50.548 16.855 1.00 29.09 O +ATOM 2978 OD2 ASP B 154 4.808 49.635 14.998 1.00 28.50 O +ATOM 2979 N GLY B 155 6.265 47.778 20.547 1.00 18.87 N +ATOM 2980 CA GLY B 155 6.665 46.625 21.334 1.00 18.80 C +ATOM 2981 C GLY B 155 8.019 46.017 21.009 1.00 18.57 C +ATOM 2982 O GLY B 155 8.430 45.058 21.656 1.00 19.73 O +ATOM 2983 N VAL B 156 8.720 46.550 20.014 1.00 17.32 N +ATOM 2984 CA VAL B 156 10.032 46.006 19.664 1.00 15.09 C +ATOM 2985 C VAL B 156 11.112 47.085 19.738 1.00 14.39 C +ATOM 2986 O VAL B 156 10.833 48.217 20.126 1.00 13.78 O +ATOM 2987 CB VAL B 156 10.019 45.394 18.246 1.00 16.27 C +ATOM 2988 CG1 VAL B 156 8.989 44.276 18.174 1.00 15.98 C +ATOM 2989 CG2 VAL B 156 9.710 46.464 17.215 1.00 13.72 C +ATOM 2990 N LEU B 157 12.341 46.727 19.376 1.00 14.49 N +ATOM 2991 CA LEU B 157 13.455 47.674 19.398 1.00 13.30 C +ATOM 2992 C LEU B 157 13.893 48.002 17.968 1.00 13.49 C +ATOM 2993 O LEU B 157 14.147 47.104 17.166 1.00 12.49 O +ATOM 2994 CB LEU B 157 14.639 47.090 20.178 1.00 13.29 C +ATOM 2995 CG LEU B 157 15.892 47.967 20.308 1.00 13.99 C +ATOM 2996 CD1 LEU B 157 15.559 49.261 21.026 1.00 13.04 C +ATOM 2997 CD2 LEU B 157 16.966 47.209 21.060 1.00 15.00 C +ATOM 2998 N LYS B 158 13.974 49.292 17.654 1.00 12.16 N +ATOM 2999 CA LYS B 158 14.383 49.727 16.325 1.00 13.35 C +ATOM 3000 C LYS B 158 15.658 50.570 16.383 1.00 13.58 C +ATOM 3001 O LYS B 158 15.959 51.195 17.403 1.00 11.26 O +ATOM 3002 CB LYS B 158 13.248 50.520 15.663 1.00 14.24 C +ATOM 3003 CG LYS B 158 11.933 49.751 15.600 1.00 13.69 C +ATOM 3004 CD LYS B 158 10.892 50.448 14.738 1.00 15.98 C +ATOM 3005 CE LYS B 158 11.283 50.404 13.264 1.00 17.08 C +ATOM 3006 NZ LYS B 158 10.257 51.061 12.406 1.00 17.53 N +ATOM 3007 N GLY B 159 16.408 50.586 15.284 1.00 13.40 N +ATOM 3008 CA GLY B 159 17.636 51.361 15.256 1.00 12.30 C +ATOM 3009 C GLY B 159 18.036 51.763 13.848 1.00 10.21 C +ATOM 3010 O GLY B 159 17.786 51.032 12.898 1.00 11.93 O +ATOM 3011 N GLU B 160 18.645 52.933 13.705 1.00 11.50 N +ATOM 3012 CA GLU B 160 19.093 53.397 12.390 1.00 12.47 C +ATOM 3013 C GLU B 160 20.563 53.798 12.460 1.00 11.94 C +ATOM 3014 O GLU B 160 21.050 54.217 13.510 1.00 10.70 O +ATOM 3015 CB GLU B 160 18.264 54.595 11.913 1.00 14.73 C +ATOM 3016 CG GLU B 160 16.797 54.292 11.608 1.00 17.54 C +ATOM 3017 CD GLU B 160 15.959 54.123 12.857 1.00 18.27 C +ATOM 3018 OE1 GLU B 160 16.258 54.787 13.872 1.00 20.22 O +ATOM 3019 OE2 GLU B 160 14.989 53.343 12.820 1.00 22.43 O +ATOM 3020 N ILE B 161 21.266 53.668 11.341 1.00 10.81 N +ATOM 3021 CA ILE B 161 22.681 54.020 11.293 1.00 11.22 C +ATOM 3022 C ILE B 161 23.067 54.655 9.963 1.00 11.33 C +ATOM 3023 O ILE B 161 22.587 54.242 8.911 1.00 11.76 O +ATOM 3024 CB ILE B 161 23.587 52.774 11.431 1.00 11.68 C +ATOM 3025 CG1 ILE B 161 22.900 51.698 12.277 1.00 12.10 C +ATOM 3026 CG2 ILE B 161 24.924 53.179 12.052 1.00 10.22 C +ATOM 3027 CD1 ILE B 161 23.742 50.426 12.449 1.00 11.05 C +ATOM 3028 N HIS B 162 23.928 55.667 10.013 1.00 13.39 N +ATOM 3029 CA HIS B 162 24.436 56.268 8.789 1.00 12.34 C +ATOM 3030 C HIS B 162 25.833 55.668 8.692 1.00 12.26 C +ATOM 3031 O HIS B 162 26.760 56.103 9.378 1.00 10.93 O +ATOM 3032 CB HIS B 162 24.496 57.795 8.890 1.00 13.00 C +ATOM 3033 CG HIS B 162 23.184 58.464 8.614 1.00 11.95 C +ATOM 3034 ND1 HIS B 162 22.531 59.243 9.544 1.00 9.66 N +ATOM 3035 CD2 HIS B 162 22.396 58.452 7.512 1.00 12.43 C +ATOM 3036 CE1 HIS B 162 21.396 59.685 9.028 1.00 10.21 C +ATOM 3037 NE2 HIS B 162 21.291 59.220 7.795 1.00 10.97 N +ATOM 3038 N LYS B 163 25.970 54.637 7.865 1.00 12.06 N +ATOM 3039 CA LYS B 163 27.248 53.952 7.710 1.00 12.34 C +ATOM 3040 C LYS B 163 27.979 54.310 6.423 1.00 13.89 C +ATOM 3041 O LYS B 163 27.430 54.989 5.547 1.00 12.29 O +ATOM 3042 CB LYS B 163 27.034 52.435 7.808 1.00 11.79 C +ATOM 3043 CG LYS B 163 26.681 51.961 9.225 1.00 11.09 C +ATOM 3044 CD LYS B 163 26.407 50.448 9.301 1.00 11.72 C +ATOM 3045 CE LYS B 163 27.564 49.632 8.744 1.00 12.69 C +ATOM 3046 NZ LYS B 163 28.881 49.997 9.346 1.00 14.45 N +ATOM 3047 N ALA B 164 29.222 53.852 6.309 1.00 14.33 N +ATOM 3048 CA ALA B 164 30.021 54.167 5.134 1.00 15.39 C +ATOM 3049 C ALA B 164 31.106 53.148 4.842 1.00 15.13 C +ATOM 3050 O ALA B 164 31.819 52.699 5.742 1.00 16.18 O +ATOM 3051 CB ALA B 164 30.654 55.550 5.302 1.00 16.49 C +ATOM 3052 N LEU B 165 31.217 52.790 3.568 1.00 14.80 N +ATOM 3053 CA LEU B 165 32.229 51.858 3.105 1.00 15.81 C +ATOM 3054 C LEU B 165 33.360 52.675 2.494 1.00 15.36 C +ATOM 3055 O LEU B 165 33.114 53.626 1.747 1.00 15.66 O +ATOM 3056 CB LEU B 165 31.641 50.918 2.048 1.00 14.82 C +ATOM 3057 CG LEU B 165 30.817 49.748 2.585 1.00 12.82 C +ATOM 3058 CD1 LEU B 165 30.055 49.085 1.449 1.00 15.11 C +ATOM 3059 CD2 LEU B 165 31.746 48.761 3.266 1.00 9.64 C +ATOM 3060 N LYS B 166 34.595 52.322 2.832 1.00 16.72 N +ATOM 3061 CA LYS B 166 35.759 53.016 2.289 1.00 18.07 C +ATOM 3062 C LYS B 166 35.946 52.525 0.860 1.00 18.15 C +ATOM 3063 O LYS B 166 35.806 51.332 0.589 1.00 16.93 O +ATOM 3064 CB LYS B 166 37.014 52.674 3.095 1.00 19.20 C +ATOM 3065 CG LYS B 166 36.983 53.068 4.564 1.00 22.97 C +ATOM 3066 CD LYS B 166 38.118 52.364 5.305 1.00 26.03 C +ATOM 3067 CE LYS B 166 38.290 52.883 6.715 1.00 28.97 C +ATOM 3068 NZ LYS B 166 38.755 54.299 6.702 1.00 32.04 N +ATOM 3069 N LEU B 167 36.267 53.434 -0.052 1.00 18.73 N +ATOM 3070 CA LEU B 167 36.470 53.048 -1.440 1.00 19.84 C +ATOM 3071 C LEU B 167 37.952 52.924 -1.768 1.00 22.47 C +ATOM 3072 O LEU B 167 38.765 53.745 -1.339 1.00 21.43 O +ATOM 3073 CB LEU B 167 35.799 54.063 -2.371 1.00 19.08 C +ATOM 3074 CG LEU B 167 34.268 54.064 -2.318 1.00 17.96 C +ATOM 3075 CD1 LEU B 167 33.703 55.222 -3.123 1.00 18.57 C +ATOM 3076 CD2 LEU B 167 33.757 52.739 -2.856 1.00 17.23 C +ATOM 3077 N LYS B 168 38.292 51.881 -2.522 1.00 23.77 N +ATOM 3078 CA LYS B 168 39.668 51.618 -2.931 1.00 26.94 C +ATOM 3079 C LYS B 168 40.356 52.886 -3.409 1.00 27.33 C +ATOM 3080 O LYS B 168 41.412 53.261 -2.904 1.00 29.44 O +ATOM 3081 CB LYS B 168 39.701 50.609 -4.081 1.00 26.32 C +ATOM 3082 CG LYS B 168 39.089 49.251 -3.789 1.00 30.00 C +ATOM 3083 CD LYS B 168 40.024 48.375 -2.985 1.00 30.58 C +ATOM 3084 CE LYS B 168 39.808 46.900 -3.315 1.00 31.45 C +ATOM 3085 NZ LYS B 168 38.393 46.469 -3.146 1.00 32.64 N +ATOM 3086 N ASP B 169 39.744 53.540 -4.389 1.00 27.63 N +ATOM 3087 CA ASP B 169 40.303 54.747 -4.977 1.00 27.72 C +ATOM 3088 C ASP B 169 40.039 56.026 -4.191 1.00 27.95 C +ATOM 3089 O ASP B 169 40.155 57.130 -4.728 1.00 28.41 O +ATOM 3090 CB ASP B 169 39.794 54.893 -6.413 1.00 29.46 C +ATOM 3091 CG ASP B 169 40.119 53.678 -7.269 1.00 32.13 C +ATOM 3092 OD1 ASP B 169 41.297 53.257 -7.276 1.00 34.44 O +ATOM 3093 OD2 ASP B 169 39.203 53.145 -7.934 1.00 33.42 O +ATOM 3094 N GLY B 170 39.692 55.876 -2.918 1.00 24.49 N +ATOM 3095 CA GLY B 170 39.445 57.040 -2.090 1.00 23.27 C +ATOM 3096 C GLY B 170 37.988 57.436 -1.973 1.00 21.58 C +ATOM 3097 O GLY B 170 37.184 57.180 -2.872 1.00 21.52 O +ATOM 3098 N GLY B 171 37.652 58.076 -0.858 1.00 20.05 N +ATOM 3099 CA GLY B 171 36.288 58.507 -0.637 1.00 18.33 C +ATOM 3100 C GLY B 171 35.460 57.436 0.040 1.00 16.95 C +ATOM 3101 O GLY B 171 35.963 56.360 0.373 1.00 15.65 O +ATOM 3102 N HIS B 172 34.183 57.734 0.247 1.00 16.90 N +ATOM 3103 CA HIS B 172 33.272 56.798 0.888 1.00 16.44 C +ATOM 3104 C HIS B 172 32.066 56.494 0.014 1.00 15.79 C +ATOM 3105 O HIS B 172 31.758 57.231 -0.921 1.00 15.57 O +ATOM 3106 CB HIS B 172 32.772 57.353 2.223 1.00 15.84 C +ATOM 3107 CG HIS B 172 33.837 57.490 3.263 1.00 16.25 C +ATOM 3108 ND1 HIS B 172 34.685 58.575 3.326 1.00 17.11 N +ATOM 3109 CD2 HIS B 172 34.181 56.681 4.293 1.00 16.43 C +ATOM 3110 CE1 HIS B 172 35.504 58.429 4.354 1.00 16.30 C +ATOM 3111 NE2 HIS B 172 35.219 57.289 4.956 1.00 16.87 N +ATOM 3112 N TYR B 173 31.402 55.391 0.339 1.00 14.77 N +ATOM 3113 CA TYR B 173 30.199 54.930 -0.344 1.00 14.41 C +ATOM 3114 C TYR B 173 29.184 54.827 0.796 1.00 13.85 C +ATOM 3115 O TYR B 173 29.281 53.950 1.654 1.00 13.82 O +ATOM 3116 CB TYR B 173 30.474 53.570 -0.991 1.00 15.80 C +ATOM 3117 CG TYR B 173 29.271 52.897 -1.612 1.00 15.45 C +ATOM 3118 CD1 TYR B 173 28.406 53.593 -2.457 1.00 14.62 C +ATOM 3119 CD2 TYR B 173 29.010 51.551 -1.365 1.00 14.10 C +ATOM 3120 CE1 TYR B 173 27.306 52.955 -3.040 1.00 13.58 C +ATOM 3121 CE2 TYR B 173 27.922 50.910 -1.942 1.00 13.19 C +ATOM 3122 CZ TYR B 173 27.073 51.611 -2.775 1.00 14.87 C +ATOM 3123 OH TYR B 173 25.987 50.958 -3.334 1.00 13.18 O +ATOM 3124 N LEU B 174 28.222 55.744 0.800 1.00 14.07 N +ATOM 3125 CA LEU B 174 27.227 55.840 1.861 1.00 12.66 C +ATOM 3126 C LEU B 174 26.045 54.875 1.836 1.00 13.10 C +ATOM 3127 O LEU B 174 25.437 54.625 0.794 1.00 13.15 O +ATOM 3128 CB LEU B 174 26.736 57.289 1.926 1.00 13.76 C +ATOM 3129 CG LEU B 174 27.904 58.295 1.909 1.00 14.70 C +ATOM 3130 CD1 LEU B 174 27.376 59.717 1.866 1.00 14.84 C +ATOM 3131 CD2 LEU B 174 28.789 58.086 3.133 1.00 14.77 C +ATOM 3132 N VAL B 175 25.728 54.333 3.010 1.00 13.00 N +ATOM 3133 CA VAL B 175 24.632 53.378 3.160 1.00 12.43 C +ATOM 3134 C VAL B 175 23.886 53.635 4.459 1.00 11.00 C +ATOM 3135 O VAL B 175 24.506 53.758 5.514 1.00 12.02 O +ATOM 3136 CB VAL B 175 25.154 51.936 3.243 1.00 13.66 C +ATOM 3137 CG1 VAL B 175 23.989 50.966 3.125 1.00 11.42 C +ATOM 3138 CG2 VAL B 175 26.211 51.696 2.181 1.00 16.19 C +ATOM 3139 N GLU B 176 22.562 53.710 4.388 1.00 10.61 N +ATOM 3140 CA GLU B 176 21.755 53.926 5.582 1.00 11.63 C +ATOM 3141 C GLU B 176 21.173 52.608 6.064 1.00 13.16 C +ATOM 3142 O GLU B 176 20.587 51.869 5.273 1.00 12.70 O +ATOM 3143 CB GLU B 176 20.592 54.879 5.309 1.00 13.80 C +ATOM 3144 CG GLU B 176 19.648 54.971 6.510 1.00 14.96 C +ATOM 3145 CD GLU B 176 18.316 55.602 6.178 1.00 17.88 C +ATOM 3146 OE1 GLU B 176 17.773 55.300 5.097 1.00 18.35 O +ATOM 3147 OE2 GLU B 176 17.805 56.385 7.007 1.00 17.92 O +ATOM 3148 N PHE B 177 21.324 52.326 7.358 1.00 13.11 N +ATOM 3149 CA PHE B 177 20.800 51.097 7.960 1.00 12.21 C +ATOM 3150 C PHE B 177 19.536 51.343 8.787 1.00 13.10 C +ATOM 3151 O PHE B 177 19.486 52.274 9.584 1.00 11.07 O +ATOM 3152 CB PHE B 177 21.839 50.469 8.897 1.00 11.88 C +ATOM 3153 CG PHE B 177 22.879 49.632 8.209 1.00 11.81 C +ATOM 3154 CD1 PHE B 177 23.539 50.095 7.076 1.00 11.84 C +ATOM 3155 CD2 PHE B 177 23.239 48.396 8.736 1.00 11.54 C +ATOM 3156 CE1 PHE B 177 24.548 49.336 6.481 1.00 12.22 C +ATOM 3157 CE2 PHE B 177 24.246 47.632 8.148 1.00 10.34 C +ATOM 3158 CZ PHE B 177 24.900 48.104 7.020 1.00 12.71 C +ATOM 3159 N LYS B 178 18.524 50.500 8.597 1.00 10.95 N +ATOM 3160 CA LYS B 178 17.281 50.584 9.363 1.00 14.64 C +ATOM 3161 C LYS B 178 17.020 49.158 9.819 1.00 13.56 C +ATOM 3162 O LYS B 178 16.730 48.295 9.001 1.00 13.86 O +ATOM 3163 CB LYS B 178 16.117 51.062 8.495 1.00 14.82 C +ATOM 3164 CG LYS B 178 16.169 52.530 8.115 1.00 19.42 C +ATOM 3165 CD LYS B 178 14.986 52.889 7.232 1.00 20.82 C +ATOM 3166 CE LYS B 178 14.785 54.393 7.156 1.00 23.24 C +ATOM 3167 NZ LYS B 178 14.358 54.944 8.471 1.00 23.65 N +ATOM 3168 N SER B 179 17.139 48.912 11.120 1.00 13.54 N +ATOM 3169 CA SER B 179 16.946 47.571 11.649 1.00 12.36 C +ATOM 3170 C SER B 179 15.777 47.465 12.618 1.00 12.97 C +ATOM 3171 O SER B 179 15.393 48.438 13.265 1.00 12.01 O +ATOM 3172 CB SER B 179 18.216 47.101 12.363 1.00 14.10 C +ATOM 3173 OG SER B 179 19.367 47.318 11.570 1.00 12.09 O +ATOM 3174 N ILE B 180 15.224 46.263 12.710 1.00 12.33 N +ATOM 3175 CA ILE B 180 14.112 45.984 13.603 1.00 12.40 C +ATOM 3176 C ILE B 180 14.459 44.717 14.376 1.00 12.74 C +ATOM 3177 O ILE B 180 14.587 43.649 13.786 1.00 14.63 O +ATOM 3178 CB ILE B 180 12.795 45.732 12.828 1.00 10.14 C +ATOM 3179 CG1 ILE B 180 12.492 46.904 11.886 1.00 11.44 C +ATOM 3180 CG2 ILE B 180 11.643 45.572 13.808 1.00 12.00 C +ATOM 3181 CD1 ILE B 180 13.249 46.858 10.570 1.00 7.46 C +ATOM 3182 N TYR B 181 14.619 44.838 15.689 1.00 14.86 N +ATOM 3183 CA TYR B 181 14.945 43.683 16.518 1.00 15.04 C +ATOM 3184 C TYR B 181 13.676 43.252 17.236 1.00 15.16 C +ATOM 3185 O TYR B 181 13.105 44.012 18.017 1.00 13.89 O +ATOM 3186 CB TYR B 181 16.041 44.050 17.512 1.00 15.92 C +ATOM 3187 CG TYR B 181 17.222 44.733 16.855 1.00 16.59 C +ATOM 3188 CD1 TYR B 181 18.216 43.989 16.213 1.00 17.72 C +ATOM 3189 CD2 TYR B 181 17.330 46.124 16.847 1.00 17.83 C +ATOM 3190 CE1 TYR B 181 19.293 44.618 15.578 1.00 17.52 C +ATOM 3191 CE2 TYR B 181 18.400 46.761 16.219 1.00 15.76 C +ATOM 3192 CZ TYR B 181 19.377 46.003 15.587 1.00 19.19 C +ATOM 3193 OH TYR B 181 20.439 46.633 14.970 1.00 18.24 O +ATOM 3194 N MET B 182 13.248 42.022 16.971 1.00 15.84 N +ATOM 3195 CA MET B 182 12.006 41.502 17.532 1.00 15.61 C +ATOM 3196 C MET B 182 12.153 40.262 18.406 1.00 16.18 C +ATOM 3197 O MET B 182 12.364 39.156 17.902 1.00 14.46 O +ATOM 3198 CB MET B 182 11.049 41.193 16.381 1.00 15.53 C +ATOM 3199 CG MET B 182 10.913 42.334 15.377 1.00 16.63 C +ATOM 3200 SD MET B 182 10.250 41.794 13.780 1.00 20.93 S +ATOM 3201 CE MET B 182 11.734 41.292 12.975 1.00 15.71 C +ATOM 3202 N ALA B 183 12.029 40.446 19.718 1.00 17.53 N +ATOM 3203 CA ALA B 183 12.129 39.324 20.644 1.00 18.46 C +ATOM 3204 C ALA B 183 10.926 38.428 20.380 1.00 19.10 C +ATOM 3205 O ALA B 183 9.831 38.921 20.117 1.00 19.40 O +ATOM 3206 CB ALA B 183 12.111 39.827 22.090 1.00 17.99 C +ATOM 3207 N LYS B 184 11.128 37.116 20.437 1.00 20.58 N +ATOM 3208 CA LYS B 184 10.045 36.173 20.192 1.00 21.83 C +ATOM 3209 C LYS B 184 8.980 36.257 21.279 1.00 24.23 C +ATOM 3210 O LYS B 184 7.868 35.761 21.114 1.00 25.09 O +ATOM 3211 CB LYS B 184 10.615 34.760 20.068 1.00 22.09 C +ATOM 3212 CG LYS B 184 11.538 34.648 18.870 1.00 19.76 C +ATOM 3213 CD LYS B 184 12.239 33.311 18.757 1.00 20.41 C +ATOM 3214 CE LYS B 184 13.164 33.313 17.547 1.00 17.75 C +ATOM 3215 NZ LYS B 184 14.044 32.110 17.472 1.00 18.95 N +ATOM 3216 N LYS B 185 9.338 36.890 22.391 1.00 25.02 N +ATOM 3217 CA LYS B 185 8.422 37.112 23.503 1.00 27.03 C +ATOM 3218 C LYS B 185 8.714 38.542 23.950 1.00 26.37 C +ATOM 3219 O LYS B 185 9.869 38.958 23.990 1.00 25.24 O +ATOM 3220 CB LYS B 185 8.671 36.121 24.649 1.00 30.68 C +ATOM 3221 CG LYS B 185 10.057 36.173 25.277 1.00 35.47 C +ATOM 3222 CD LYS B 185 10.146 35.220 26.462 1.00 38.97 C +ATOM 3223 CE LYS B 185 11.589 34.959 26.876 1.00 41.46 C +ATOM 3224 NZ LYS B 185 12.323 36.189 27.283 1.00 42.66 N +ATOM 3225 N PRO B 186 7.670 39.319 24.272 1.00 25.79 N +ATOM 3226 CA PRO B 186 7.851 40.709 24.704 1.00 25.81 C +ATOM 3227 C PRO B 186 8.646 40.899 25.994 1.00 25.86 C +ATOM 3228 O PRO B 186 8.090 40.880 27.089 1.00 26.42 O +ATOM 3229 CB PRO B 186 6.416 41.221 24.817 1.00 27.10 C +ATOM 3230 CG PRO B 186 5.661 39.990 25.212 1.00 28.88 C +ATOM 3231 CD PRO B 186 6.246 38.942 24.304 1.00 26.82 C +ATOM 3232 N VAL B 187 9.954 41.087 25.856 1.00 25.67 N +ATOM 3233 CA VAL B 187 10.813 41.298 27.010 1.00 24.13 C +ATOM 3234 C VAL B 187 11.063 42.791 27.169 1.00 23.06 C +ATOM 3235 O VAL B 187 10.716 43.578 26.289 1.00 23.71 O +ATOM 3236 CB VAL B 187 12.148 40.548 26.852 1.00 24.86 C +ATOM 3237 CG1 VAL B 187 11.885 39.057 26.810 1.00 22.30 C +ATOM 3238 CG2 VAL B 187 12.854 40.992 25.583 1.00 23.47 C +ATOM 3239 N GLN B 188 11.672 43.174 28.286 1.00 21.60 N +ATOM 3240 CA GLN B 188 11.935 44.578 28.577 1.00 20.45 C +ATOM 3241 C GLN B 188 12.735 45.333 27.523 1.00 20.34 C +ATOM 3242 O GLN B 188 13.742 44.846 27.006 1.00 20.48 O +ATOM 3243 CB GLN B 188 12.615 44.714 29.938 1.00 19.17 C +ATOM 3244 CG GLN B 188 12.006 45.820 30.772 1.00 21.62 C +ATOM 3245 CD GLN B 188 12.488 45.806 32.199 1.00 22.46 C +ATOM 3246 OE1 GLN B 188 13.579 46.283 32.502 1.00 23.60 O +ATOM 3247 NE2 GLN B 188 11.680 45.243 33.089 1.00 24.04 N +ATOM 3248 N LEU B 189 12.268 46.543 27.226 1.00 19.78 N +ATOM 3249 CA LEU B 189 12.880 47.405 26.225 1.00 19.01 C +ATOM 3250 C LEU B 189 13.626 48.567 26.859 1.00 17.47 C +ATOM 3251 O LEU B 189 13.247 49.055 27.923 1.00 16.69 O +ATOM 3252 CB LEU B 189 11.799 47.977 25.307 1.00 19.78 C +ATOM 3253 CG LEU B 189 11.034 47.025 24.389 1.00 20.98 C +ATOM 3254 CD1 LEU B 189 9.680 47.629 24.047 1.00 21.03 C +ATOM 3255 CD2 LEU B 189 11.846 46.768 23.134 1.00 21.61 C +ATOM 3256 N PRO B 190 14.706 49.022 26.210 1.00 17.29 N +ATOM 3257 CA PRO B 190 15.487 50.143 26.725 1.00 16.68 C +ATOM 3258 C PRO B 190 14.815 51.407 26.212 1.00 17.11 C +ATOM 3259 O PRO B 190 13.783 51.336 25.534 1.00 16.51 O +ATOM 3260 CB PRO B 190 16.846 49.921 26.083 1.00 17.62 C +ATOM 3261 CG PRO B 190 16.464 49.447 24.728 1.00 18.01 C +ATOM 3262 CD PRO B 190 15.377 48.423 25.041 1.00 17.28 C +ATOM 3263 N GLY B 191 15.393 52.557 26.533 1.00 17.14 N +ATOM 3264 CA GLY B 191 14.838 53.812 26.063 1.00 16.68 C +ATOM 3265 C GLY B 191 15.616 54.252 24.837 1.00 15.58 C +ATOM 3266 O GLY B 191 16.094 53.416 24.075 1.00 16.57 O +ATOM 3267 N TYR B 192 15.757 55.559 24.652 1.00 15.81 N +ATOM 3268 CA TYR B 192 16.495 56.108 23.516 1.00 16.07 C +ATOM 3269 C TYR B 192 17.984 55.966 23.815 1.00 16.13 C +ATOM 3270 O TYR B 192 18.479 56.531 24.794 1.00 17.96 O +ATOM 3271 CB TYR B 192 16.159 57.592 23.354 1.00 15.54 C +ATOM 3272 CG TYR B 192 16.485 58.197 22.003 1.00 15.77 C +ATOM 3273 CD1 TYR B 192 15.570 58.130 20.949 1.00 14.46 C +ATOM 3274 CD2 TYR B 192 17.681 58.891 21.795 1.00 13.90 C +ATOM 3275 CE1 TYR B 192 15.833 58.749 19.717 1.00 12.49 C +ATOM 3276 CE2 TYR B 192 17.955 59.511 20.569 1.00 12.81 C +ATOM 3277 CZ TYR B 192 17.024 59.438 19.537 1.00 11.93 C +ATOM 3278 OH TYR B 192 17.277 60.062 18.334 1.00 10.36 O +ATOM 3279 N TYR B 193 18.707 55.215 22.994 1.00 14.91 N +ATOM 3280 CA TYR B 193 20.138 55.068 23.237 1.00 14.45 C +ATOM 3281 C TYR B 193 20.941 54.772 21.977 1.00 14.02 C +ATOM 3282 O TYR B 193 20.394 54.763 20.872 1.00 13.04 O +ATOM 3283 CB TYR B 193 20.398 54.005 24.319 1.00 12.16 C +ATOM 3284 CG TYR B 193 20.400 52.558 23.872 1.00 13.40 C +ATOM 3285 CD1 TYR B 193 19.251 51.955 23.359 1.00 14.76 C +ATOM 3286 CD2 TYR B 193 21.538 51.768 24.035 1.00 14.86 C +ATOM 3287 CE1 TYR B 193 19.235 50.602 23.029 1.00 14.68 C +ATOM 3288 CE2 TYR B 193 21.533 50.411 23.708 1.00 14.22 C +ATOM 3289 CZ TYR B 193 20.378 49.837 23.210 1.00 14.61 C +ATOM 3290 OH TYR B 193 20.357 48.492 22.922 1.00 15.88 O +ATOM 3291 N TYR B 194 22.242 54.556 22.146 1.00 12.48 N +ATOM 3292 CA TYR B 194 23.122 54.289 21.014 1.00 13.90 C +ATOM 3293 C TYR B 194 23.996 53.058 21.184 1.00 14.62 C +ATOM 3294 O TYR B 194 24.233 52.593 22.300 1.00 15.73 O +ATOM 3295 CB TYR B 194 24.047 55.484 20.766 1.00 14.64 C +ATOM 3296 CG TYR B 194 23.340 56.752 20.372 1.00 13.70 C +ATOM 3297 CD1 TYR B 194 22.695 57.542 21.324 1.00 14.53 C +ATOM 3298 CD2 TYR B 194 23.293 57.152 19.035 1.00 14.00 C +ATOM 3299 CE1 TYR B 194 22.018 58.703 20.957 1.00 14.14 C +ATOM 3300 CE2 TYR B 194 22.617 58.307 18.657 1.00 14.16 C +ATOM 3301 CZ TYR B 194 21.982 59.074 19.621 1.00 15.05 C +ATOM 3302 OH TYR B 194 21.291 60.199 19.242 1.00 11.59 O +ATOM 3303 N VAL B 195 24.480 52.546 20.059 1.00 13.73 N +ATOM 3304 CA VAL B 195 25.375 51.398 20.046 1.00 12.36 C +ATOM 3305 C VAL B 195 26.517 51.652 19.070 1.00 14.04 C +ATOM 3306 O VAL B 195 26.297 51.845 17.868 1.00 14.44 O +ATOM 3307 CB VAL B 195 24.652 50.100 19.633 1.00 12.95 C +ATOM 3308 CG1 VAL B 195 25.678 49.026 19.257 1.00 8.29 C +ATOM 3309 CG2 VAL B 195 23.791 49.602 20.790 1.00 7.56 C +ATOM 3310 N ASP B 196 27.738 51.673 19.592 1.00 13.63 N +ATOM 3311 CA ASP B 196 28.909 51.881 18.750 1.00 15.67 C +ATOM 3312 C ASP B 196 29.386 50.520 18.277 1.00 15.44 C +ATOM 3313 O ASP B 196 29.288 49.536 19.010 1.00 15.81 O +ATOM 3314 CB ASP B 196 30.031 52.573 19.530 1.00 16.78 C +ATOM 3315 CG ASP B 196 29.678 53.993 19.919 1.00 19.24 C +ATOM 3316 OD1 ASP B 196 29.148 54.728 19.058 1.00 17.43 O +ATOM 3317 OD2 ASP B 196 29.935 54.378 21.080 1.00 20.62 O +ATOM 3318 N SER B 197 29.908 50.464 17.057 1.00 16.11 N +ATOM 3319 CA SER B 197 30.395 49.204 16.512 1.00 16.10 C +ATOM 3320 C SER B 197 31.524 49.435 15.524 1.00 15.94 C +ATOM 3321 O SER B 197 31.565 50.451 14.837 1.00 14.43 O +ATOM 3322 CB SER B 197 29.266 48.462 15.789 1.00 17.50 C +ATOM 3323 OG SER B 197 28.081 48.433 16.567 1.00 20.28 O +ATOM 3324 N LYS B 198 32.451 48.489 15.470 1.00 15.47 N +ATOM 3325 CA LYS B 198 33.551 48.565 14.527 1.00 15.60 C +ATOM 3326 C LYS B 198 33.784 47.155 14.026 1.00 15.74 C +ATOM 3327 O LYS B 198 34.225 46.283 14.771 1.00 15.92 O +ATOM 3328 CB LYS B 198 34.820 49.096 15.184 1.00 15.46 C +ATOM 3329 CG LYS B 198 35.960 49.308 14.192 1.00 17.31 C +ATOM 3330 CD LYS B 198 37.196 49.873 14.876 1.00 20.35 C +ATOM 3331 CE LYS B 198 38.375 49.946 13.923 1.00 23.29 C +ATOM 3332 NZ LYS B 198 39.635 50.257 14.650 1.00 26.50 N +ATOM 3333 N LEU B 199 33.462 46.927 12.761 1.00 14.27 N +ATOM 3334 CA LEU B 199 33.639 45.611 12.174 1.00 14.95 C +ATOM 3335 C LEU B 199 34.848 45.633 11.260 1.00 16.02 C +ATOM 3336 O LEU B 199 34.972 46.510 10.399 1.00 14.84 O +ATOM 3337 CB LEU B 199 32.386 45.214 11.385 1.00 14.01 C +ATOM 3338 CG LEU B 199 32.333 43.801 10.793 1.00 13.46 C +ATOM 3339 CD1 LEU B 199 30.886 43.444 10.476 1.00 13.20 C +ATOM 3340 CD2 LEU B 199 33.207 43.721 9.551 1.00 11.64 C +ATOM 3341 N ASP B 200 35.740 44.665 11.455 1.00 16.89 N +ATOM 3342 CA ASP B 200 36.949 44.560 10.646 1.00 16.95 C +ATOM 3343 C ASP B 200 37.047 43.182 10.031 1.00 16.64 C +ATOM 3344 O ASP B 200 36.726 42.177 10.673 1.00 16.50 O +ATOM 3345 CB ASP B 200 38.218 44.742 11.491 1.00 19.03 C +ATOM 3346 CG ASP B 200 38.176 45.959 12.376 1.00 22.40 C +ATOM 3347 OD1 ASP B 200 37.998 47.085 11.859 1.00 23.27 O +ATOM 3348 OD2 ASP B 200 38.334 45.779 13.599 1.00 22.57 O +ATOM 3349 N ILE B 201 37.499 43.138 8.786 1.00 16.09 N +ATOM 3350 CA ILE B 201 37.719 41.870 8.118 1.00 16.28 C +ATOM 3351 C ILE B 201 39.152 41.548 8.535 1.00 16.79 C +ATOM 3352 O ILE B 201 40.083 42.253 8.151 1.00 17.35 O +ATOM 3353 CB ILE B 201 37.659 42.015 6.590 1.00 16.05 C +ATOM 3354 CG1 ILE B 201 36.245 42.416 6.157 1.00 16.66 C +ATOM 3355 CG2 ILE B 201 38.074 40.706 5.935 1.00 15.46 C +ATOM 3356 CD1 ILE B 201 35.181 41.408 6.542 1.00 14.83 C +ATOM 3357 N THR B 202 39.331 40.503 9.334 1.00 16.69 N +ATOM 3358 CA THR B 202 40.662 40.141 9.808 1.00 18.32 C +ATOM 3359 C THR B 202 41.425 39.193 8.882 1.00 19.46 C +ATOM 3360 O THR B 202 42.653 39.112 8.940 1.00 19.34 O +ATOM 3361 CB THR B 202 40.579 39.518 11.211 1.00 18.23 C +ATOM 3362 OG1 THR B 202 39.772 38.336 11.167 1.00 18.32 O +ATOM 3363 CG2 THR B 202 39.953 40.509 12.184 1.00 18.30 C +ATOM 3364 N SER B 203 40.707 38.490 8.015 1.00 18.34 N +ATOM 3365 CA SER B 203 41.352 37.559 7.096 1.00 19.73 C +ATOM 3366 C SER B 203 40.428 37.216 5.939 1.00 17.91 C +ATOM 3367 O SER B 203 39.209 37.222 6.097 1.00 18.79 O +ATOM 3368 CB SER B 203 41.741 36.279 7.845 1.00 19.81 C +ATOM 3369 OG SER B 203 42.365 35.353 6.977 1.00 24.72 O +ATOM 3370 N HIS B 204 41.008 36.925 4.777 1.00 17.39 N +ATOM 3371 CA HIS B 204 40.217 36.570 3.606 1.00 16.98 C +ATOM 3372 C HIS B 204 41.098 36.142 2.440 1.00 17.01 C +ATOM 3373 O HIS B 204 42.226 36.620 2.304 1.00 17.00 O +ATOM 3374 CB HIS B 204 39.366 37.770 3.171 1.00 17.92 C +ATOM 3375 CG HIS B 204 40.161 38.885 2.559 1.00 17.04 C +ATOM 3376 ND1 HIS B 204 40.591 38.860 1.249 1.00 17.39 N +ATOM 3377 CD2 HIS B 204 40.632 40.042 3.086 1.00 18.91 C +ATOM 3378 CE1 HIS B 204 41.291 39.952 0.994 1.00 17.73 C +ATOM 3379 NE2 HIS B 204 41.331 40.685 2.093 1.00 19.67 N +ATOM 3380 N ASN B 205 40.602 35.234 1.604 1.00 15.17 N +ATOM 3381 CA ASN B 205 41.376 34.854 0.433 1.00 16.57 C +ATOM 3382 C ASN B 205 41.029 35.885 -0.638 1.00 16.74 C +ATOM 3383 O ASN B 205 40.159 36.728 -0.426 1.00 18.11 O +ATOM 3384 CB ASN B 205 41.061 33.430 -0.047 1.00 15.77 C +ATOM 3385 CG ASN B 205 39.575 33.149 -0.164 1.00 17.58 C +ATOM 3386 OD1 ASN B 205 38.749 34.062 -0.232 1.00 17.60 O +ATOM 3387 ND2 ASN B 205 39.230 31.864 -0.206 1.00 15.56 N +ATOM 3388 N GLU B 206 41.697 35.822 -1.784 1.00 16.49 N +ATOM 3389 CA GLU B 206 41.472 36.795 -2.847 1.00 18.06 C +ATOM 3390 C GLU B 206 40.029 36.979 -3.318 1.00 19.02 C +ATOM 3391 O GLU B 206 39.592 38.112 -3.537 1.00 17.91 O +ATOM 3392 CB GLU B 206 42.370 36.457 -4.042 1.00 18.90 C +ATOM 3393 CG GLU B 206 42.552 37.570 -5.069 1.00 20.17 C +ATOM 3394 CD GLU B 206 41.383 37.714 -6.026 1.00 22.32 C +ATOM 3395 OE1 GLU B 206 40.696 36.707 -6.292 1.00 20.73 O +ATOM 3396 OE2 GLU B 206 41.168 38.835 -6.533 1.00 21.86 O +ATOM 3397 N ASP B 207 39.281 35.887 -3.463 1.00 19.18 N +ATOM 3398 CA ASP B 207 37.910 36.000 -3.954 1.00 19.53 C +ATOM 3399 C ASP B 207 36.812 35.991 -2.898 1.00 18.81 C +ATOM 3400 O ASP B 207 35.633 35.872 -3.225 1.00 20.53 O +ATOM 3401 CB ASP B 207 37.630 34.910 -4.995 1.00 20.81 C +ATOM 3402 CG ASP B 207 37.735 33.512 -4.425 1.00 21.51 C +ATOM 3403 OD1 ASP B 207 37.956 33.366 -3.204 1.00 20.01 O +ATOM 3404 OD2 ASP B 207 37.589 32.552 -5.211 1.00 24.25 O +ATOM 3405 N TYR B 208 37.200 36.129 -1.638 1.00 18.00 N +ATOM 3406 CA TYR B 208 36.258 36.154 -0.523 1.00 17.66 C +ATOM 3407 C TYR B 208 35.314 34.958 -0.404 1.00 17.69 C +ATOM 3408 O TYR B 208 34.137 35.112 -0.063 1.00 17.27 O +ATOM 3409 CB TYR B 208 35.449 37.460 -0.541 1.00 16.48 C +ATOM 3410 CG TYR B 208 36.284 38.685 -0.229 1.00 18.98 C +ATOM 3411 CD1 TYR B 208 37.187 39.191 -1.160 1.00 20.25 C +ATOM 3412 CD2 TYR B 208 36.197 39.317 1.016 1.00 18.86 C +ATOM 3413 CE1 TYR B 208 37.987 40.295 -0.866 1.00 21.59 C +ATOM 3414 CE2 TYR B 208 36.990 40.421 1.320 1.00 20.75 C +ATOM 3415 CZ TYR B 208 37.884 40.904 0.370 1.00 21.85 C +ATOM 3416 OH TYR B 208 38.672 42.001 0.653 1.00 24.13 O +ATOM 3417 N THR B 209 35.832 33.764 -0.684 1.00 17.71 N +ATOM 3418 CA THR B 209 35.047 32.545 -0.545 1.00 17.05 C +ATOM 3419 C THR B 209 35.323 32.033 0.876 1.00 17.42 C +ATOM 3420 O THR B 209 34.624 31.166 1.388 1.00 17.32 O +ATOM 3421 CB THR B 209 35.447 31.483 -1.599 1.00 17.93 C +ATOM 3422 OG1 THR B 209 36.870 31.347 -1.633 1.00 17.50 O +ATOM 3423 CG2 THR B 209 34.950 31.894 -2.979 1.00 16.62 C +ATOM 3424 N ILE B 210 36.356 32.598 1.503 1.00 19.32 N +ATOM 3425 CA ILE B 210 36.731 32.276 2.877 1.00 18.61 C +ATOM 3426 C ILE B 210 37.072 33.608 3.538 1.00 19.05 C +ATOM 3427 O ILE B 210 37.967 34.330 3.082 1.00 17.51 O +ATOM 3428 CB ILE B 210 37.951 31.341 2.948 1.00 20.33 C +ATOM 3429 CG1 ILE B 210 37.604 29.988 2.322 1.00 20.85 C +ATOM 3430 CG2 ILE B 210 38.354 31.135 4.399 1.00 21.75 C +ATOM 3431 CD1 ILE B 210 38.754 29.001 2.324 1.00 23.22 C +ATOM 3432 N VAL B 211 36.362 33.932 4.614 1.00 16.73 N +ATOM 3433 CA VAL B 211 36.558 35.205 5.284 1.00 17.55 C +ATOM 3434 C VAL B 211 36.397 35.113 6.793 1.00 17.92 C +ATOM 3435 O VAL B 211 35.646 34.278 7.298 1.00 19.48 O +ATOM 3436 CB VAL B 211 35.525 36.248 4.769 1.00 15.77 C +ATOM 3437 CG1 VAL B 211 35.869 37.634 5.282 1.00 15.10 C +ATOM 3438 CG2 VAL B 211 35.473 36.236 3.259 1.00 12.12 C +ATOM 3439 N GLU B 212 37.106 35.980 7.510 1.00 19.03 N +ATOM 3440 CA GLU B 212 36.999 36.031 8.964 1.00 18.36 C +ATOM 3441 C GLU B 212 36.761 37.482 9.379 1.00 17.51 C +ATOM 3442 O GLU B 212 37.354 38.408 8.815 1.00 15.64 O +ATOM 3443 CB GLU B 212 38.262 35.475 9.634 1.00 19.07 C +ATOM 3444 CG GLU B 212 38.224 35.555 11.157 1.00 21.83 C +ATOM 3445 CD GLU B 212 38.910 34.371 11.831 1.00 26.21 C +ATOM 3446 OE1 GLU B 212 39.983 33.945 11.351 1.00 23.90 O +ATOM 3447 OE2 GLU B 212 38.372 33.872 12.848 1.00 29.37 O +ATOM 3448 N GLN B 213 35.892 37.678 10.366 1.00 16.77 N +ATOM 3449 CA GLN B 213 35.555 39.023 10.821 1.00 15.11 C +ATOM 3450 C GLN B 213 35.643 39.180 12.331 1.00 15.63 C +ATOM 3451 O GLN B 213 35.542 38.213 13.081 1.00 14.99 O +ATOM 3452 CB GLN B 213 34.127 39.374 10.385 1.00 15.75 C +ATOM 3453 CG GLN B 213 33.802 39.008 8.940 1.00 14.29 C +ATOM 3454 CD GLN B 213 32.362 39.313 8.561 1.00 12.68 C +ATOM 3455 OE1 GLN B 213 31.968 39.146 7.408 1.00 12.37 O +ATOM 3456 NE2 GLN B 213 31.572 39.765 9.530 1.00 9.75 N +ATOM 3457 N TYR B 214 35.828 40.418 12.767 1.00 16.51 N +ATOM 3458 CA TYR B 214 35.887 40.727 14.184 1.00 16.83 C +ATOM 3459 C TYR B 214 35.052 41.974 14.411 1.00 16.27 C +ATOM 3460 O TYR B 214 35.164 42.943 13.658 1.00 13.35 O +ATOM 3461 CB TYR B 214 37.324 40.998 14.639 1.00 18.93 C +ATOM 3462 CG TYR B 214 37.367 41.660 15.995 1.00 20.91 C +ATOM 3463 CD1 TYR B 214 37.126 40.933 17.160 1.00 24.59 C +ATOM 3464 CD2 TYR B 214 37.549 43.035 16.106 1.00 23.54 C +ATOM 3465 CE1 TYR B 214 37.058 41.569 18.404 1.00 25.25 C +ATOM 3466 CE2 TYR B 214 37.481 43.677 17.334 1.00 24.92 C +ATOM 3467 CZ TYR B 214 37.233 42.944 18.479 1.00 25.34 C +ATOM 3468 OH TYR B 214 37.142 43.598 19.692 1.00 26.40 O +ATOM 3469 N GLU B 215 34.210 41.949 15.438 1.00 15.79 N +ATOM 3470 CA GLU B 215 33.381 43.102 15.752 1.00 16.47 C +ATOM 3471 C GLU B 215 33.426 43.457 17.234 1.00 17.07 C +ATOM 3472 O GLU B 215 33.403 42.579 18.099 1.00 15.80 O +ATOM 3473 CB GLU B 215 31.916 42.858 15.350 1.00 17.77 C +ATOM 3474 CG GLU B 215 30.959 43.965 15.833 1.00 20.83 C +ATOM 3475 CD GLU B 215 29.480 43.623 15.661 1.00 22.74 C +ATOM 3476 OE1 GLU B 215 29.106 42.447 15.847 1.00 20.83 O +ATOM 3477 OE2 GLU B 215 28.684 44.542 15.362 1.00 23.57 O +ATOM 3478 N ARG B 216 33.526 44.754 17.511 1.00 14.77 N +ATOM 3479 CA ARG B 216 33.493 45.262 18.876 1.00 14.54 C +ATOM 3480 C ARG B 216 32.236 46.114 18.852 1.00 13.89 C +ATOM 3481 O ARG B 216 32.083 46.957 17.972 1.00 13.20 O +ATOM 3482 CB ARG B 216 34.693 46.153 19.200 1.00 14.58 C +ATOM 3483 CG ARG B 216 34.564 46.770 20.594 1.00 19.15 C +ATOM 3484 CD ARG B 216 35.701 47.721 20.959 1.00 22.12 C +ATOM 3485 NE ARG B 216 35.472 48.345 22.263 1.00 21.67 N +ATOM 3486 CZ ARG B 216 36.251 49.283 22.796 1.00 23.85 C +ATOM 3487 NH1 ARG B 216 37.320 49.714 22.139 1.00 23.49 N +ATOM 3488 NH2 ARG B 216 35.960 49.795 23.986 1.00 23.27 N +ATOM 3489 N THR B 217 31.330 45.890 19.791 1.00 12.95 N +ATOM 3490 CA THR B 217 30.091 46.649 19.818 1.00 14.85 C +ATOM 3491 C THR B 217 29.630 46.833 21.259 1.00 15.61 C +ATOM 3492 O THR B 217 29.612 45.884 22.048 1.00 14.95 O +ATOM 3493 CB THR B 217 29.005 45.932 18.969 1.00 16.95 C +ATOM 3494 OG1 THR B 217 27.766 46.649 19.059 1.00 18.24 O +ATOM 3495 CG2 THR B 217 28.819 44.493 19.445 1.00 17.79 C +ATOM 3496 N GLU B 218 29.273 48.064 21.605 1.00 15.61 N +ATOM 3497 CA GLU B 218 28.858 48.369 22.964 1.00 18.05 C +ATOM 3498 C GLU B 218 27.757 49.424 22.998 1.00 17.13 C +ATOM 3499 O GLU B 218 27.775 50.371 22.213 1.00 18.48 O +ATOM 3500 CB GLU B 218 30.076 48.859 23.744 1.00 20.04 C +ATOM 3501 CG GLU B 218 29.921 48.835 25.244 1.00 25.83 C +ATOM 3502 CD GLU B 218 31.100 49.480 25.938 1.00 28.68 C +ATOM 3503 OE1 GLU B 218 32.240 49.295 25.456 1.00 28.59 O +ATOM 3504 OE2 GLU B 218 30.888 50.163 26.963 1.00 31.41 O +ATOM 3505 N GLY B 219 26.805 49.258 23.911 1.00 16.62 N +ATOM 3506 CA GLY B 219 25.708 50.207 24.024 1.00 18.23 C +ATOM 3507 C GLY B 219 25.962 51.262 25.084 1.00 18.64 C +ATOM 3508 O GLY B 219 26.701 51.014 26.039 1.00 19.13 O +ATOM 3509 N ARG B 220 25.344 52.431 24.929 1.00 16.89 N +ATOM 3510 CA ARG B 220 25.540 53.523 25.878 1.00 16.51 C +ATOM 3511 C ARG B 220 24.511 54.630 25.689 1.00 17.22 C +ATOM 3512 O ARG B 220 23.795 54.671 24.690 1.00 16.09 O +ATOM 3513 CB ARG B 220 26.926 54.135 25.671 1.00 16.31 C +ATOM 3514 CG ARG B 220 27.085 54.726 24.264 1.00 15.50 C +ATOM 3515 CD ARG B 220 28.385 55.491 24.072 1.00 17.75 C +ATOM 3516 NE ARG B 220 28.549 55.910 22.681 1.00 16.97 N +ATOM 3517 CZ ARG B 220 27.899 56.923 22.112 1.00 17.92 C +ATOM 3518 NH1 ARG B 220 27.033 57.644 22.815 1.00 15.80 N +ATOM 3519 NH2 ARG B 220 28.108 57.209 20.829 1.00 9.69 N +ATOM 3520 N HIS B 221 24.438 55.530 26.663 1.00 16.71 N +ATOM 3521 CA HIS B 221 23.547 56.675 26.562 1.00 16.70 C +ATOM 3522 C HIS B 221 24.343 57.701 25.760 1.00 15.74 C +ATOM 3523 O HIS B 221 25.560 57.578 25.626 1.00 16.89 O +ATOM 3524 CB HIS B 221 23.251 57.268 27.941 1.00 15.97 C +ATOM 3525 CG HIS B 221 22.424 56.385 28.821 1.00 17.35 C +ATOM 3526 ND1 HIS B 221 21.131 56.026 28.510 1.00 16.64 N +ATOM 3527 CD2 HIS B 221 22.697 55.812 30.018 1.00 18.24 C +ATOM 3528 CE1 HIS B 221 20.641 55.272 29.478 1.00 17.49 C +ATOM 3529 NE2 HIS B 221 21.572 55.126 30.405 1.00 19.73 N +ATOM 3530 N HIS B 222 23.664 58.704 25.222 1.00 15.38 N +ATOM 3531 CA HIS B 222 24.353 59.750 24.479 1.00 16.11 C +ATOM 3532 C HIS B 222 25.344 60.326 25.494 1.00 18.11 C +ATOM 3533 O HIS B 222 25.014 60.429 26.677 1.00 15.74 O +ATOM 3534 CB HIS B 222 23.333 60.808 24.040 1.00 15.84 C +ATOM 3535 CG HIS B 222 23.915 61.926 23.232 1.00 16.88 C +ATOM 3536 ND1 HIS B 222 24.646 62.951 23.796 1.00 16.60 N +ATOM 3537 CD2 HIS B 222 23.852 62.196 21.905 1.00 15.49 C +ATOM 3538 CE1 HIS B 222 25.004 63.805 22.853 1.00 16.70 C +ATOM 3539 NE2 HIS B 222 24.535 63.371 21.696 1.00 15.51 N +ATOM 3540 N LEU B 223 26.553 60.682 25.064 1.00 19.45 N +ATOM 3541 CA LEU B 223 27.530 61.229 26.004 1.00 24.00 C +ATOM 3542 C LEU B 223 26.937 62.440 26.710 1.00 28.85 C +ATOM 3543 O LEU B 223 27.535 63.001 27.631 1.00 28.70 O +ATOM 3544 CB LEU B 223 28.825 61.612 25.285 1.00 23.85 C +ATOM 3545 CG LEU B 223 29.548 60.462 24.571 1.00 23.07 C +ATOM 3546 CD1 LEU B 223 30.917 60.930 24.115 1.00 23.61 C +ATOM 3547 CD2 LEU B 223 29.695 59.275 25.508 1.00 23.80 C +ATOM 3548 N PHE B 224 25.742 62.814 26.264 1.00 34.07 N +ATOM 3549 CA PHE B 224 24.982 63.926 26.809 1.00 40.53 C +ATOM 3550 C PHE B 224 25.732 65.232 26.804 1.00 43.19 C +ATOM 3551 O PHE B 224 26.263 65.661 27.828 1.00 45.70 O +ATOM 3552 CB PHE B 224 24.497 63.592 28.226 1.00 40.48 C +ATOM 3553 CG PHE B 224 23.265 62.729 28.252 1.00 42.42 C +ATOM 3554 CD1 PHE B 224 22.352 62.768 27.198 1.00 43.43 C +ATOM 3555 CD2 PHE B 224 23.013 61.881 29.324 1.00 42.68 C +ATOM 3556 CE1 PHE B 224 21.210 61.977 27.209 1.00 43.15 C +ATOM 3557 CE2 PHE B 224 21.871 61.084 29.345 1.00 43.51 C +ATOM 3558 CZ PHE B 224 20.967 61.133 28.284 1.00 43.77 C +ATOM 3559 N LEU B 225 25.777 65.859 25.635 1.00 45.57 N +ATOM 3560 CA LEU B 225 26.447 67.136 25.504 1.00 49.19 C +ATOM 3561 C LEU B 225 25.411 68.238 25.654 1.00 51.70 C +ATOM 3562 O LEU B 225 25.226 68.713 26.797 1.00 53.31 O +ATOM 3563 CB LEU B 225 27.130 67.248 24.141 1.00 48.42 C +ATOM 3564 CG LEU B 225 28.188 66.188 23.840 1.00 47.84 C +ATOM 3565 CD1 LEU B 225 29.144 66.750 22.810 1.00 48.64 C +ATOM 3566 CD2 LEU B 225 28.947 65.815 25.101 1.00 47.05 C +ATOM 3567 OXT LEU B 225 24.786 68.595 24.633 1.00 54.72 O +TER 3568 LEU B 225 +ATOM 3569 N VAL C 7 -14.947 84.185 -15.038 1.00 29.71 N +ATOM 3570 CA VAL C 7 -13.738 84.224 -14.164 1.00 28.19 C +ATOM 3571 C VAL C 7 -12.530 83.707 -14.937 1.00 27.93 C +ATOM 3572 O VAL C 7 -11.570 84.439 -15.174 1.00 26.25 O +ATOM 3573 CB VAL C 7 -13.941 83.357 -12.915 1.00 29.77 C +ATOM 3574 CG1 VAL C 7 -12.735 83.488 -11.990 1.00 28.66 C +ATOM 3575 CG2 VAL C 7 -15.222 83.774 -12.204 1.00 30.46 C +ATOM 3576 N ILE C 8 -12.576 82.434 -15.312 1.00 26.97 N +ATOM 3577 CA ILE C 8 -11.503 81.834 -16.089 1.00 26.92 C +ATOM 3578 C ILE C 8 -11.975 81.814 -17.541 1.00 26.51 C +ATOM 3579 O ILE C 8 -12.799 80.983 -17.923 1.00 27.38 O +ATOM 3580 CB ILE C 8 -11.196 80.394 -15.610 1.00 27.14 C +ATOM 3581 CG1 ILE C 8 -10.625 80.437 -14.190 1.00 26.55 C +ATOM 3582 CG2 ILE C 8 -10.214 79.718 -16.564 1.00 26.76 C +ATOM 3583 CD1 ILE C 8 -10.287 79.078 -13.616 1.00 27.16 C +ATOM 3584 N LYS C 9 -11.457 82.746 -18.337 1.00 26.19 N +ATOM 3585 CA LYS C 9 -11.822 82.872 -19.748 1.00 26.19 C +ATOM 3586 C LYS C 9 -11.164 81.809 -20.630 1.00 25.49 C +ATOM 3587 O LYS C 9 -10.274 81.085 -20.190 1.00 23.83 O +ATOM 3588 CB LYS C 9 -11.427 84.261 -20.264 1.00 28.26 C +ATOM 3589 CG LYS C 9 -11.910 85.424 -19.405 1.00 31.09 C +ATOM 3590 CD LYS C 9 -13.425 85.535 -19.403 1.00 35.05 C +ATOM 3591 CE LYS C 9 -13.880 86.811 -18.699 1.00 37.99 C +ATOM 3592 NZ LYS C 9 -15.362 86.984 -18.755 1.00 39.03 N +ATOM 3593 N GLU C 10 -11.609 81.729 -21.882 1.00 25.40 N +ATOM 3594 CA GLU C 10 -11.071 80.768 -22.842 1.00 25.60 C +ATOM 3595 C GLU C 10 -9.580 81.024 -23.026 1.00 23.67 C +ATOM 3596 O GLU C 10 -8.798 80.092 -23.224 1.00 22.56 O +ATOM 3597 CB GLU C 10 -11.784 80.913 -24.185 1.00 29.50 C +ATOM 3598 CG GLU C 10 -13.283 80.686 -24.137 1.00 36.55 C +ATOM 3599 CD GLU C 10 -14.039 81.707 -24.970 1.00 40.34 C +ATOM 3600 OE1 GLU C 10 -13.649 81.931 -26.138 1.00 42.38 O +ATOM 3601 OE2 GLU C 10 -15.023 82.286 -24.456 1.00 42.31 O +ATOM 3602 N PHE C 11 -9.206 82.301 -22.967 1.00 22.28 N +ATOM 3603 CA PHE C 11 -7.815 82.734 -23.095 1.00 21.53 C +ATOM 3604 C PHE C 11 -7.448 83.486 -21.820 1.00 22.13 C +ATOM 3605 O PHE C 11 -8.178 84.377 -21.383 1.00 20.40 O +ATOM 3606 CB PHE C 11 -7.643 83.675 -24.290 1.00 22.71 C +ATOM 3607 CG PHE C 11 -6.269 84.280 -24.391 1.00 23.34 C +ATOM 3608 CD1 PHE C 11 -5.192 83.522 -24.836 1.00 23.48 C +ATOM 3609 CD2 PHE C 11 -6.051 85.609 -24.034 1.00 23.85 C +ATOM 3610 CE1 PHE C 11 -3.912 84.079 -24.927 1.00 25.16 C +ATOM 3611 CE2 PHE C 11 -4.778 86.175 -24.120 1.00 23.72 C +ATOM 3612 CZ PHE C 11 -3.705 85.409 -24.569 1.00 23.51 C +ATOM 3613 N MET C 12 -6.317 83.132 -21.226 1.00 20.33 N +ATOM 3614 CA MET C 12 -5.890 83.781 -19.996 1.00 21.03 C +ATOM 3615 C MET C 12 -4.393 84.012 -20.005 1.00 20.89 C +ATOM 3616 O MET C 12 -3.624 83.168 -20.471 1.00 19.47 O +ATOM 3617 CB MET C 12 -6.260 82.925 -18.779 1.00 20.75 C +ATOM 3618 CG MET C 12 -7.753 82.819 -18.487 1.00 23.28 C +ATOM 3619 SD MET C 12 -8.491 84.360 -17.891 1.00 25.16 S +ATOM 3620 CE MET C 12 -8.014 84.324 -16.160 1.00 22.49 C +ATOM 3621 N ARG C 13 -3.991 85.164 -19.481 1.00 20.26 N +ATOM 3622 CA ARG C 13 -2.585 85.526 -19.399 1.00 21.73 C +ATOM 3623 C ARG C 13 -2.155 85.405 -17.940 1.00 20.53 C +ATOM 3624 O ARG C 13 -2.997 85.396 -17.037 1.00 19.19 O +ATOM 3625 CB ARG C 13 -2.391 86.968 -19.885 1.00 25.10 C +ATOM 3626 CG ARG C 13 -2.993 87.229 -21.265 1.00 27.92 C +ATOM 3627 CD ARG C 13 -2.887 88.690 -21.702 1.00 33.67 C +ATOM 3628 NE ARG C 13 -1.510 89.107 -21.950 1.00 38.16 N +ATOM 3629 CZ ARG C 13 -0.697 89.615 -21.026 1.00 41.95 C +ATOM 3630 NH1 ARG C 13 -1.121 89.780 -19.778 1.00 43.34 N +ATOM 3631 NH2 ARG C 13 0.545 89.955 -21.351 1.00 42.57 N +ATOM 3632 N PHE C 14 -0.851 85.294 -17.705 1.00 18.92 N +ATOM 3633 CA PHE C 14 -0.355 85.205 -16.343 1.00 17.78 C +ATOM 3634 C PHE C 14 1.034 85.805 -16.210 1.00 18.25 C +ATOM 3635 O PHE C 14 1.768 85.923 -17.187 1.00 16.67 O +ATOM 3636 CB PHE C 14 -0.385 83.743 -15.839 1.00 19.03 C +ATOM 3637 CG PHE C 14 0.655 82.830 -16.457 1.00 20.69 C +ATOM 3638 CD1 PHE C 14 1.984 82.873 -16.037 1.00 20.02 C +ATOM 3639 CD2 PHE C 14 0.287 81.877 -17.408 1.00 19.08 C +ATOM 3640 CE1 PHE C 14 2.927 81.982 -16.550 1.00 20.84 C +ATOM 3641 CE2 PHE C 14 1.227 80.981 -17.929 1.00 19.81 C +ATOM 3642 CZ PHE C 14 2.547 81.034 -17.496 1.00 19.66 C +ATOM 3643 N LYS C 15 1.373 86.217 -14.995 1.00 18.44 N +ATOM 3644 CA LYS C 15 2.674 86.803 -14.715 1.00 18.81 C +ATOM 3645 C LYS C 15 3.275 86.007 -13.566 1.00 18.48 C +ATOM 3646 O LYS C 15 2.563 85.611 -12.639 1.00 17.67 O +ATOM 3647 CB LYS C 15 2.516 88.275 -14.322 1.00 21.78 C +ATOM 3648 CG LYS C 15 1.833 89.116 -15.395 1.00 25.58 C +ATOM 3649 CD LYS C 15 1.674 90.566 -14.970 1.00 28.43 C +ATOM 3650 CE LYS C 15 0.895 91.353 -16.020 1.00 31.36 C +ATOM 3651 NZ LYS C 15 0.682 92.773 -15.620 1.00 34.29 N +ATOM 3652 N VAL C 16 4.580 85.765 -13.619 1.00 15.74 N +ATOM 3653 CA VAL C 16 5.214 84.991 -12.559 1.00 16.29 C +ATOM 3654 C VAL C 16 6.536 85.586 -12.099 1.00 17.19 C +ATOM 3655 O VAL C 16 7.253 86.237 -12.863 1.00 15.56 O +ATOM 3656 CB VAL C 16 5.454 83.525 -13.012 1.00 15.70 C +ATOM 3657 CG1 VAL C 16 6.383 83.496 -14.214 1.00 16.27 C +ATOM 3658 CG2 VAL C 16 6.043 82.699 -11.865 1.00 13.06 C +ATOM 3659 N ARG C 17 6.839 85.361 -10.830 1.00 17.83 N +ATOM 3660 CA ARG C 17 8.082 85.826 -10.240 1.00 18.73 C +ATOM 3661 C ARG C 17 8.597 84.713 -9.337 1.00 16.75 C +ATOM 3662 O ARG C 17 7.844 84.148 -8.546 1.00 16.11 O +ATOM 3663 CB ARG C 17 7.843 87.101 -9.432 1.00 20.56 C +ATOM 3664 CG ARG C 17 9.101 87.666 -8.800 1.00 26.26 C +ATOM 3665 CD ARG C 17 8.867 89.073 -8.264 1.00 32.14 C +ATOM 3666 NE ARG C 17 10.033 89.595 -7.556 1.00 36.95 N +ATOM 3667 CZ ARG C 17 10.445 89.159 -6.368 1.00 39.96 C +ATOM 3668 NH1 ARG C 17 9.782 88.190 -5.749 1.00 41.01 N +ATOM 3669 NH2 ARG C 17 11.520 89.690 -5.797 1.00 41.00 N +ATOM 3670 N MET C 18 9.874 84.378 -9.480 1.00 16.89 N +ATOM 3671 CA MET C 18 10.472 83.335 -8.659 1.00 17.75 C +ATOM 3672 C MET C 18 11.689 83.866 -7.928 1.00 17.34 C +ATOM 3673 O MET C 18 12.468 84.639 -8.477 1.00 16.77 O +ATOM 3674 CB MET C 18 10.907 82.133 -9.511 1.00 15.97 C +ATOM 3675 CG MET C 18 11.696 81.075 -8.726 1.00 16.67 C +ATOM 3676 SD MET C 18 12.545 79.840 -9.757 1.00 18.25 S +ATOM 3677 CE MET C 18 11.165 78.822 -10.241 1.00 15.08 C +ATOM 3678 N GLU C 19 11.828 83.449 -6.677 1.00 18.92 N +ATOM 3679 CA GLU C 19 12.963 83.814 -5.845 1.00 20.42 C +ATOM 3680 C GLU C 19 13.530 82.456 -5.471 1.00 19.75 C +ATOM 3681 O GLU C 19 12.834 81.638 -4.871 1.00 19.13 O +ATOM 3682 CB GLU C 19 12.515 84.548 -4.575 1.00 22.66 C +ATOM 3683 CG GLU C 19 12.006 85.962 -4.796 1.00 28.41 C +ATOM 3684 CD GLU C 19 11.574 86.625 -3.500 1.00 31.37 C +ATOM 3685 OE1 GLU C 19 12.352 86.592 -2.524 1.00 33.23 O +ATOM 3686 OE2 GLU C 19 10.460 87.184 -3.454 1.00 34.42 O +ATOM 3687 N GLY C 20 14.776 82.194 -5.834 1.00 18.68 N +ATOM 3688 CA GLY C 20 15.324 80.897 -5.501 1.00 19.42 C +ATOM 3689 C GLY C 20 16.797 80.847 -5.189 1.00 17.95 C +ATOM 3690 O GLY C 20 17.522 81.828 -5.332 1.00 15.87 O +ATOM 3691 N THR C 21 17.228 79.674 -4.744 1.00 16.85 N +ATOM 3692 CA THR C 21 18.619 79.429 -4.412 1.00 16.73 C +ATOM 3693 C THR C 21 18.893 77.977 -4.765 1.00 16.04 C +ATOM 3694 O THR C 21 18.033 77.114 -4.592 1.00 16.08 O +ATOM 3695 CB THR C 21 18.903 79.621 -2.901 1.00 17.80 C +ATOM 3696 OG1 THR C 21 18.152 78.661 -2.151 1.00 20.29 O +ATOM 3697 CG2 THR C 21 18.512 81.017 -2.450 1.00 16.22 C +ATOM 3698 N VAL C 22 20.089 77.719 -5.274 1.00 16.31 N +ATOM 3699 CA VAL C 22 20.502 76.377 -5.647 1.00 15.74 C +ATOM 3700 C VAL C 22 21.972 76.283 -5.268 1.00 16.91 C +ATOM 3701 O VAL C 22 22.796 77.040 -5.784 1.00 15.82 O +ATOM 3702 CB VAL C 22 20.338 76.140 -7.168 1.00 16.18 C +ATOM 3703 CG1 VAL C 22 21.111 74.892 -7.599 1.00 16.17 C +ATOM 3704 CG2 VAL C 22 18.869 75.981 -7.509 1.00 15.95 C +ATOM 3705 N ASN C 23 22.289 75.382 -4.340 1.00 16.19 N +ATOM 3706 CA ASN C 23 23.665 75.200 -3.890 1.00 16.25 C +ATOM 3707 C ASN C 23 24.305 76.523 -3.477 1.00 16.14 C +ATOM 3708 O ASN C 23 25.465 76.794 -3.799 1.00 16.33 O +ATOM 3709 CB ASN C 23 24.497 74.539 -4.995 1.00 15.59 C +ATOM 3710 CG ASN C 23 24.384 73.028 -4.985 1.00 16.90 C +ATOM 3711 OD1 ASN C 23 23.411 72.468 -4.478 1.00 18.01 O +ATOM 3712 ND2 ASN C 23 25.377 72.357 -5.561 1.00 16.94 N +ATOM 3713 N GLY C 24 23.539 77.346 -2.771 1.00 16.95 N +ATOM 3714 CA GLY C 24 24.050 78.623 -2.301 1.00 18.80 C +ATOM 3715 C GLY C 24 23.964 79.808 -3.250 1.00 19.64 C +ATOM 3716 O GLY C 24 24.228 80.937 -2.835 1.00 20.50 O +ATOM 3717 N HIS C 25 23.597 79.573 -4.508 1.00 18.74 N +ATOM 3718 CA HIS C 25 23.494 80.658 -5.485 1.00 18.62 C +ATOM 3719 C HIS C 25 22.061 81.177 -5.578 1.00 19.13 C +ATOM 3720 O HIS C 25 21.153 80.456 -6.002 1.00 16.85 O +ATOM 3721 CB HIS C 25 23.948 80.181 -6.868 1.00 19.17 C +ATOM 3722 CG HIS C 25 23.998 81.271 -7.892 1.00 21.04 C +ATOM 3723 ND1 HIS C 25 25.057 82.147 -7.994 1.00 21.53 N +ATOM 3724 CD2 HIS C 25 23.095 81.663 -8.823 1.00 20.48 C +ATOM 3725 CE1 HIS C 25 24.803 83.032 -8.943 1.00 22.56 C +ATOM 3726 NE2 HIS C 25 23.619 82.761 -9.460 1.00 21.22 N +ATOM 3727 N GLU C 26 21.857 82.430 -5.186 1.00 19.10 N +ATOM 3728 CA GLU C 26 20.524 83.011 -5.227 1.00 21.46 C +ATOM 3729 C GLU C 26 20.253 83.670 -6.573 1.00 21.36 C +ATOM 3730 O GLU C 26 21.173 84.120 -7.257 1.00 21.58 O +ATOM 3731 CB GLU C 26 20.348 84.025 -4.087 1.00 23.93 C +ATOM 3732 CG GLU C 26 21.067 85.344 -4.267 1.00 29.83 C +ATOM 3733 CD GLU C 26 21.008 86.203 -3.012 1.00 34.09 C +ATOM 3734 OE1 GLU C 26 19.917 86.304 -2.410 1.00 36.02 O +ATOM 3735 OE2 GLU C 26 22.048 86.780 -2.630 1.00 36.51 O +ATOM 3736 N PHE C 27 18.984 83.719 -6.955 1.00 18.46 N +ATOM 3737 CA PHE C 27 18.616 84.316 -8.226 1.00 17.80 C +ATOM 3738 C PHE C 27 17.147 84.692 -8.221 1.00 18.30 C +ATOM 3739 O PHE C 27 16.384 84.258 -7.350 1.00 14.39 O +ATOM 3740 CB PHE C 27 18.898 83.322 -9.364 1.00 18.16 C +ATOM 3741 CG PHE C 27 18.142 82.021 -9.237 1.00 16.93 C +ATOM 3742 CD1 PHE C 27 18.669 80.964 -8.498 1.00 16.72 C +ATOM 3743 CD2 PHE C 27 16.892 81.865 -9.833 1.00 15.79 C +ATOM 3744 CE1 PHE C 27 17.958 79.768 -8.350 1.00 18.46 C +ATOM 3745 CE2 PHE C 27 16.174 80.678 -9.694 1.00 16.54 C +ATOM 3746 CZ PHE C 27 16.705 79.627 -8.952 1.00 17.28 C +ATOM 3747 N GLU C 28 16.766 85.519 -9.190 1.00 17.95 N +ATOM 3748 CA GLU C 28 15.386 85.959 -9.354 1.00 19.78 C +ATOM 3749 C GLU C 28 15.022 85.814 -10.821 1.00 19.34 C +ATOM 3750 O GLU C 28 15.867 85.988 -11.701 1.00 17.99 O +ATOM 3751 CB GLU C 28 15.210 87.425 -8.962 1.00 23.45 C +ATOM 3752 CG GLU C 28 15.300 87.720 -7.484 1.00 29.93 C +ATOM 3753 CD GLU C 28 14.876 89.141 -7.179 1.00 31.97 C +ATOM 3754 OE1 GLU C 28 13.680 89.454 -7.360 1.00 35.14 O +ATOM 3755 OE2 GLU C 28 15.738 89.948 -6.775 1.00 36.12 O +ATOM 3756 N ILE C 29 13.757 85.509 -11.077 1.00 18.12 N +ATOM 3757 CA ILE C 29 13.280 85.345 -12.439 1.00 17.42 C +ATOM 3758 C ILE C 29 11.886 85.940 -12.555 1.00 16.76 C +ATOM 3759 O ILE C 29 11.040 85.738 -11.685 1.00 14.45 O +ATOM 3760 CB ILE C 29 13.221 83.846 -12.834 1.00 17.29 C +ATOM 3761 CG1 ILE C 29 14.632 83.251 -12.836 1.00 18.22 C +ATOM 3762 CG2 ILE C 29 12.589 83.693 -14.207 1.00 17.54 C +ATOM 3763 CD1 ILE C 29 14.666 81.745 -13.041 1.00 17.01 C +ATOM 3764 N GLU C 30 11.661 86.692 -13.624 1.00 17.00 N +ATOM 3765 CA GLU C 30 10.360 87.287 -13.868 1.00 19.33 C +ATOM 3766 C GLU C 30 9.878 86.830 -15.240 1.00 18.75 C +ATOM 3767 O GLU C 30 10.670 86.711 -16.175 1.00 17.67 O +ATOM 3768 CB GLU C 30 10.452 88.812 -13.804 1.00 22.89 C +ATOM 3769 CG GLU C 30 10.838 89.322 -12.419 1.00 29.83 C +ATOM 3770 CD GLU C 30 10.667 90.821 -12.271 1.00 33.40 C +ATOM 3771 OE1 GLU C 30 11.317 91.579 -13.022 1.00 35.42 O +ATOM 3772 OE2 GLU C 30 9.876 91.241 -11.400 1.00 38.01 O +ATOM 3773 N GLY C 31 8.583 86.559 -15.355 1.00 18.58 N +ATOM 3774 CA GLY C 31 8.053 86.111 -16.628 1.00 17.60 C +ATOM 3775 C GLY C 31 6.607 86.487 -16.865 1.00 17.13 C +ATOM 3776 O GLY C 31 5.925 86.995 -15.973 1.00 15.98 O +ATOM 3777 N GLU C 32 6.147 86.238 -18.086 1.00 16.25 N +ATOM 3778 CA GLU C 32 4.776 86.518 -18.484 1.00 18.77 C +ATOM 3779 C GLU C 32 4.364 85.376 -19.398 1.00 17.46 C +ATOM 3780 O GLU C 32 5.117 84.996 -20.292 1.00 17.77 O +ATOM 3781 CB GLU C 32 4.687 87.844 -19.250 1.00 21.24 C +ATOM 3782 CG GLU C 32 5.224 89.055 -18.489 1.00 27.45 C +ATOM 3783 CD GLU C 32 4.867 90.374 -19.156 1.00 30.28 C +ATOM 3784 OE1 GLU C 32 4.978 90.464 -20.398 1.00 31.81 O +ATOM 3785 OE2 GLU C 32 4.484 91.324 -18.436 1.00 32.45 O +ATOM 3786 N GLY C 33 3.177 84.827 -19.176 1.00 17.85 N +ATOM 3787 CA GLY C 33 2.726 83.729 -20.006 1.00 16.15 C +ATOM 3788 C GLY C 33 1.291 83.902 -20.453 1.00 17.65 C +ATOM 3789 O GLY C 33 0.683 84.950 -20.228 1.00 16.02 O +ATOM 3790 N GLU C 34 0.754 82.870 -21.095 1.00 16.66 N +ATOM 3791 CA GLU C 34 -0.620 82.896 -21.574 1.00 16.83 C +ATOM 3792 C GLU C 34 -0.977 81.513 -22.094 1.00 16.99 C +ATOM 3793 O GLU C 34 -0.099 80.687 -22.342 1.00 17.69 O +ATOM 3794 CB GLU C 34 -0.772 83.928 -22.694 1.00 17.35 C +ATOM 3795 CG GLU C 34 -0.010 83.584 -23.961 1.00 19.37 C +ATOM 3796 CD GLU C 34 0.075 84.751 -24.927 1.00 24.21 C +ATOM 3797 OE1 GLU C 34 -0.167 85.899 -24.501 1.00 24.92 O +ATOM 3798 OE2 GLU C 34 0.400 84.522 -26.111 1.00 25.18 O +ATOM 3799 N GLY C 35 -2.268 81.261 -22.254 1.00 17.82 N +ATOM 3800 CA GLY C 35 -2.692 79.970 -22.748 1.00 18.08 C +ATOM 3801 C GLY C 35 -4.197 79.833 -22.755 1.00 19.15 C +ATOM 3802 O GLY C 35 -4.924 80.798 -22.532 1.00 19.59 O +ATOM 3803 N ARG C 36 -4.660 78.617 -23.016 1.00 18.24 N +ATOM 3804 CA ARG C 36 -6.081 78.325 -23.070 1.00 20.28 C +ATOM 3805 C ARG C 36 -6.342 77.271 -22.004 1.00 20.66 C +ATOM 3806 O ARG C 36 -6.148 76.077 -22.235 1.00 19.81 O +ATOM 3807 CB ARG C 36 -6.431 77.808 -24.464 1.00 22.48 C +ATOM 3808 CG ARG C 36 -6.038 78.794 -25.563 1.00 26.30 C +ATOM 3809 CD ARG C 36 -6.166 78.198 -26.953 1.00 32.09 C +ATOM 3810 NE ARG C 36 -5.619 79.086 -27.982 1.00 37.25 N +ATOM 3811 CZ ARG C 36 -6.111 80.287 -28.287 1.00 37.97 C +ATOM 3812 NH1 ARG C 36 -7.171 80.762 -27.647 1.00 38.64 N +ATOM 3813 NH2 ARG C 36 -5.535 81.019 -29.233 1.00 37.30 N +ATOM 3814 N PRO C 37 -6.780 77.709 -20.814 1.00 20.98 N +ATOM 3815 CA PRO C 37 -7.067 76.823 -19.681 1.00 20.65 C +ATOM 3816 C PRO C 37 -7.955 75.616 -19.960 1.00 20.93 C +ATOM 3817 O PRO C 37 -7.826 74.583 -19.295 1.00 20.28 O +ATOM 3818 CB PRO C 37 -7.665 77.770 -18.639 1.00 21.92 C +ATOM 3819 CG PRO C 37 -8.209 78.908 -19.458 1.00 23.47 C +ATOM 3820 CD PRO C 37 -7.158 79.098 -20.503 1.00 19.91 C +ATOM 3821 N TYR C 38 -8.845 75.731 -20.939 1.00 19.68 N +ATOM 3822 CA TYR C 38 -9.734 74.622 -21.255 1.00 19.74 C +ATOM 3823 C TYR C 38 -9.204 73.716 -22.358 1.00 19.04 C +ATOM 3824 O TYR C 38 -9.775 72.660 -22.617 1.00 17.68 O +ATOM 3825 CB TYR C 38 -11.126 75.140 -21.634 1.00 21.02 C +ATOM 3826 CG TYR C 38 -11.760 75.993 -20.557 1.00 22.87 C +ATOM 3827 CD1 TYR C 38 -12.437 75.407 -19.485 1.00 22.97 C +ATOM 3828 CD2 TYR C 38 -11.651 77.383 -20.586 1.00 22.68 C +ATOM 3829 CE1 TYR C 38 -12.987 76.193 -18.464 1.00 24.18 C +ATOM 3830 CE2 TYR C 38 -12.199 78.174 -19.574 1.00 22.24 C +ATOM 3831 CZ TYR C 38 -12.862 77.573 -18.518 1.00 22.57 C +ATOM 3832 OH TYR C 38 -13.393 78.350 -17.512 1.00 23.02 O +ATOM 3833 N GLU C 39 -8.117 74.123 -23.007 1.00 18.45 N +ATOM 3834 CA GLU C 39 -7.537 73.318 -24.078 1.00 20.29 C +ATOM 3835 C GLU C 39 -6.314 72.541 -23.611 1.00 18.64 C +ATOM 3836 O GLU C 39 -5.924 71.561 -24.240 1.00 16.28 O +ATOM 3837 CB GLU C 39 -7.160 74.197 -25.274 1.00 23.52 C +ATOM 3838 CG GLU C 39 -8.346 74.834 -25.977 1.00 28.08 C +ATOM 3839 CD GLU C 39 -9.408 73.818 -26.357 1.00 30.92 C +ATOM 3840 OE1 GLU C 39 -9.052 72.795 -26.975 1.00 33.56 O +ATOM 3841 OE2 GLU C 39 -10.597 74.043 -26.041 1.00 33.83 O +ATOM 3842 N GLY C 40 -5.710 72.986 -22.512 1.00 17.10 N +ATOM 3843 CA GLY C 40 -4.542 72.304 -21.976 1.00 17.42 C +ATOM 3844 C GLY C 40 -3.226 72.776 -22.562 1.00 17.43 C +ATOM 3845 O GLY C 40 -2.261 72.016 -22.624 1.00 17.42 O +ATOM 3846 N HIS C 41 -3.184 74.038 -22.979 1.00 17.40 N +ATOM 3847 CA HIS C 41 -1.989 74.620 -23.576 1.00 18.57 C +ATOM 3848 C HIS C 41 -1.634 75.949 -22.915 1.00 18.96 C +ATOM 3849 O HIS C 41 -2.515 76.743 -22.592 1.00 15.52 O +ATOM 3850 CB HIS C 41 -2.222 74.876 -25.067 1.00 22.01 C +ATOM 3851 CG HIS C 41 -2.512 73.642 -25.858 1.00 25.64 C +ATOM 3852 ND1 HIS C 41 -1.530 72.754 -26.239 1.00 28.83 N +ATOM 3853 CD2 HIS C 41 -3.676 73.142 -26.335 1.00 28.62 C +ATOM 3854 CE1 HIS C 41 -2.076 71.760 -26.917 1.00 28.27 C +ATOM 3855 NE2 HIS C 41 -3.377 71.971 -26.989 1.00 29.97 N +ATOM 3856 N ASN C 42 -0.342 76.185 -22.712 1.00 18.76 N +ATOM 3857 CA ASN C 42 0.107 77.442 -22.132 1.00 20.59 C +ATOM 3858 C ASN C 42 1.600 77.626 -22.383 1.00 20.23 C +ATOM 3859 O ASN C 42 2.375 76.666 -22.371 1.00 20.03 O +ATOM 3860 CB ASN C 42 -0.255 77.516 -20.629 1.00 20.97 C +ATOM 3861 CG ASN C 42 0.706 76.749 -19.732 1.00 21.43 C +ATOM 3862 OD1 ASN C 42 1.592 77.338 -19.113 1.00 22.26 O +ATOM 3863 ND2 ASN C 42 0.524 75.437 -19.648 1.00 19.39 N +ATOM 3864 N THR C 43 1.985 78.867 -22.660 1.00 19.79 N +ATOM 3865 CA THR C 43 3.371 79.209 -22.940 1.00 18.89 C +ATOM 3866 C THR C 43 3.821 80.285 -21.972 1.00 19.45 C +ATOM 3867 O THR C 43 2.995 80.989 -21.393 1.00 17.30 O +ATOM 3868 CB THR C 43 3.528 79.770 -24.353 1.00 20.63 C +ATOM 3869 OG1 THR C 43 2.724 80.951 -24.479 1.00 20.42 O +ATOM 3870 CG2 THR C 43 3.094 78.747 -25.387 1.00 22.04 C +ATOM 3871 N VAL C 44 5.133 80.423 -21.807 1.00 19.33 N +ATOM 3872 CA VAL C 44 5.667 81.427 -20.900 1.00 17.65 C +ATOM 3873 C VAL C 44 7.048 81.883 -21.344 1.00 16.80 C +ATOM 3874 O VAL C 44 7.820 81.103 -21.899 1.00 17.21 O +ATOM 3875 CB VAL C 44 5.749 80.876 -19.447 1.00 17.38 C +ATOM 3876 CG1 VAL C 44 6.781 79.767 -19.362 1.00 19.33 C +ATOM 3877 CG2 VAL C 44 6.087 81.991 -18.484 1.00 15.38 C +ATOM 3878 N LYS C 45 7.349 83.156 -21.100 1.00 15.98 N +ATOM 3879 CA LYS C 45 8.644 83.724 -21.461 1.00 17.32 C +ATOM 3880 C LYS C 45 9.287 84.217 -20.168 1.00 16.54 C +ATOM 3881 O LYS C 45 8.701 85.038 -19.463 1.00 15.91 O +ATOM 3882 CB LYS C 45 8.451 84.893 -22.435 1.00 18.90 C +ATOM 3883 CG LYS C 45 9.738 85.426 -23.055 1.00 24.60 C +ATOM 3884 CD LYS C 45 9.437 86.573 -24.019 1.00 28.74 C +ATOM 3885 CE LYS C 45 10.674 87.011 -24.788 1.00 31.49 C +ATOM 3886 NZ LYS C 45 11.766 87.491 -23.898 1.00 33.32 N +ATOM 3887 N LEU C 46 10.480 83.713 -19.854 1.00 16.03 N +ATOM 3888 CA LEU C 46 11.174 84.098 -18.626 1.00 15.46 C +ATOM 3889 C LEU C 46 12.456 84.892 -18.835 1.00 16.53 C +ATOM 3890 O LEU C 46 13.084 84.829 -19.891 1.00 16.29 O +ATOM 3891 CB LEU C 46 11.527 82.862 -17.790 1.00 16.29 C +ATOM 3892 CG LEU C 46 10.441 81.904 -17.292 1.00 16.86 C +ATOM 3893 CD1 LEU C 46 9.363 82.683 -16.555 1.00 12.40 C +ATOM 3894 CD2 LEU C 46 9.853 81.143 -18.469 1.00 16.67 C +ATOM 3895 N LYS C 47 12.847 85.621 -17.794 1.00 17.75 N +ATOM 3896 CA LYS C 47 14.067 86.414 -17.805 1.00 18.61 C +ATOM 3897 C LYS C 47 14.699 86.362 -16.419 1.00 19.03 C +ATOM 3898 O LYS C 47 14.016 86.569 -15.412 1.00 17.91 O +ATOM 3899 CB LYS C 47 13.757 87.869 -18.177 1.00 21.51 C +ATOM 3900 CG LYS C 47 14.954 88.812 -18.091 1.00 26.73 C +ATOM 3901 CD LYS C 47 16.106 88.334 -18.969 1.00 31.05 C +ATOM 3902 CE LYS C 47 17.312 89.267 -18.883 1.00 33.03 C +ATOM 3903 NZ LYS C 47 18.469 88.754 -19.676 1.00 33.16 N +ATOM 3904 N VAL C 48 15.991 86.058 -16.364 1.00 17.41 N +ATOM 3905 CA VAL C 48 16.697 86.021 -15.093 1.00 17.60 C +ATOM 3906 C VAL C 48 16.975 87.486 -14.780 1.00 18.89 C +ATOM 3907 O VAL C 48 17.739 88.140 -15.485 1.00 18.42 O +ATOM 3908 CB VAL C 48 18.030 85.250 -15.204 1.00 17.09 C +ATOM 3909 CG1 VAL C 48 18.801 85.350 -13.900 1.00 15.44 C +ATOM 3910 CG2 VAL C 48 17.756 83.787 -15.539 1.00 17.72 C +ATOM 3911 N THR C 49 16.342 87.998 -13.733 1.00 17.49 N +ATOM 3912 CA THR C 49 16.500 89.398 -13.361 1.00 18.49 C +ATOM 3913 C THR C 49 17.553 89.632 -12.289 1.00 18.76 C +ATOM 3914 O THR C 49 17.915 90.770 -12.009 1.00 18.23 O +ATOM 3915 CB THR C 49 15.160 89.982 -12.889 1.00 18.46 C +ATOM 3916 OG1 THR C 49 14.586 89.118 -11.902 1.00 20.75 O +ATOM 3917 CG2 THR C 49 14.199 90.114 -14.061 1.00 18.62 C +ATOM 3918 N LYS C 50 18.052 88.553 -11.698 1.00 18.88 N +ATOM 3919 CA LYS C 50 19.066 88.664 -10.662 1.00 20.71 C +ATOM 3920 C LYS C 50 19.782 87.332 -10.509 1.00 20.47 C +ATOM 3921 O LYS C 50 19.154 86.275 -10.531 1.00 18.86 O +ATOM 3922 CB LYS C 50 18.414 89.076 -9.331 1.00 22.33 C +ATOM 3923 CG LYS C 50 19.380 89.194 -8.158 1.00 28.34 C +ATOM 3924 CD LYS C 50 18.653 89.583 -6.867 1.00 31.41 C +ATOM 3925 CE LYS C 50 19.608 89.617 -5.673 1.00 33.84 C +ATOM 3926 NZ LYS C 50 18.959 90.101 -4.416 1.00 34.44 N +ATOM 3927 N GLY C 51 21.103 87.385 -10.371 1.00 20.08 N +ATOM 3928 CA GLY C 51 21.871 86.165 -10.203 1.00 21.38 C +ATOM 3929 C GLY C 51 22.195 85.431 -11.490 1.00 21.14 C +ATOM 3930 O GLY C 51 22.565 84.261 -11.454 1.00 22.31 O +ATOM 3931 N GLY C 52 22.058 86.109 -12.625 1.00 21.07 N +ATOM 3932 CA GLY C 52 22.359 85.480 -13.898 1.00 20.63 C +ATOM 3933 C GLY C 52 23.786 85.757 -14.344 1.00 20.97 C +ATOM 3934 O GLY C 52 24.375 86.753 -13.929 1.00 20.38 O +ATOM 3935 N PRO C 53 24.384 84.885 -15.174 1.00 21.58 N +ATOM 3936 CA PRO C 53 23.791 83.658 -15.715 1.00 21.76 C +ATOM 3937 C PRO C 53 23.741 82.581 -14.638 1.00 22.30 C +ATOM 3938 O PRO C 53 24.622 82.519 -13.777 1.00 21.52 O +ATOM 3939 CB PRO C 53 24.748 83.292 -16.844 1.00 20.51 C +ATOM 3940 CG PRO C 53 26.068 83.691 -16.268 1.00 22.25 C +ATOM 3941 CD PRO C 53 25.760 85.057 -15.675 1.00 22.01 C +ATOM 3942 N LEU C 54 22.715 81.735 -14.680 1.00 21.63 N +ATOM 3943 CA LEU C 54 22.586 80.675 -13.684 1.00 20.45 C +ATOM 3944 C LEU C 54 23.672 79.616 -13.880 1.00 20.10 C +ATOM 3945 O LEU C 54 23.956 79.201 -15.004 1.00 20.73 O +ATOM 3946 CB LEU C 54 21.194 80.038 -13.769 1.00 18.58 C +ATOM 3947 CG LEU C 54 20.021 81.024 -13.645 1.00 17.50 C +ATOM 3948 CD1 LEU C 54 18.710 80.297 -13.897 1.00 17.00 C +ATOM 3949 CD2 LEU C 54 20.023 81.679 -12.269 1.00 15.77 C +ATOM 3950 N PRO C 55 24.310 79.178 -12.782 1.00 21.07 N +ATOM 3951 CA PRO C 55 25.369 78.165 -12.847 1.00 19.88 C +ATOM 3952 C PRO C 55 24.858 76.722 -12.784 1.00 20.16 C +ATOM 3953 O PRO C 55 25.585 75.817 -12.366 1.00 20.60 O +ATOM 3954 CB PRO C 55 26.240 78.518 -11.651 1.00 21.43 C +ATOM 3955 CG PRO C 55 25.221 78.936 -10.639 1.00 20.50 C +ATOM 3956 CD PRO C 55 24.282 79.817 -11.451 1.00 20.50 C +ATOM 3957 N PHE C 56 23.611 76.512 -13.192 1.00 17.98 N +ATOM 3958 CA PHE C 56 23.016 75.180 -13.183 1.00 17.08 C +ATOM 3959 C PHE C 56 22.013 75.045 -14.322 1.00 16.98 C +ATOM 3960 O PHE C 56 21.663 76.033 -14.961 1.00 17.45 O +ATOM 3961 CB PHE C 56 22.337 74.908 -11.833 1.00 16.30 C +ATOM 3962 CG PHE C 56 21.299 75.929 -11.456 1.00 17.05 C +ATOM 3963 CD1 PHE C 56 19.993 75.821 -11.925 1.00 16.62 C +ATOM 3964 CD2 PHE C 56 21.639 77.023 -10.663 1.00 17.82 C +ATOM 3965 CE1 PHE C 56 19.037 76.788 -11.612 1.00 18.07 C +ATOM 3966 CE2 PHE C 56 20.691 78.000 -10.343 1.00 17.80 C +ATOM 3967 CZ PHE C 56 19.386 77.880 -10.821 1.00 17.33 C +ATOM 3968 N ALA C 57 21.562 73.817 -14.566 1.00 16.62 N +ATOM 3969 CA ALA C 57 20.614 73.521 -15.640 1.00 15.20 C +ATOM 3970 C ALA C 57 19.273 74.220 -15.492 1.00 15.80 C +ATOM 3971 O ALA C 57 18.598 74.101 -14.465 1.00 14.04 O +ATOM 3972 CB ALA C 57 20.396 72.014 -15.734 1.00 15.34 C +ATOM 3973 N TRP C 58 18.875 74.939 -16.535 1.00 14.59 N +ATOM 3974 CA TRP C 58 17.602 75.639 -16.514 1.00 14.62 C +ATOM 3975 C TRP C 58 16.440 74.656 -16.345 1.00 13.88 C +ATOM 3976 O TRP C 58 15.414 74.985 -15.741 1.00 13.68 O +ATOM 3977 CB TRP C 58 17.419 76.443 -17.807 1.00 13.71 C +ATOM 3978 CG TRP C 58 16.053 77.056 -17.916 1.00 14.64 C +ATOM 3979 CD1 TRP C 58 14.926 76.465 -18.413 1.00 16.38 C +ATOM 3980 CD2 TRP C 58 15.649 78.338 -17.422 1.00 15.66 C +ATOM 3981 NE1 TRP C 58 13.842 77.300 -18.255 1.00 17.38 N +ATOM 3982 CE2 TRP C 58 14.257 78.455 -17.649 1.00 15.94 C +ATOM 3983 CE3 TRP C 58 16.327 79.400 -16.806 1.00 15.79 C +ATOM 3984 CZ2 TRP C 58 13.529 79.593 -17.281 1.00 16.42 C +ATOM 3985 CZ3 TRP C 58 15.601 80.533 -16.440 1.00 16.68 C +ATOM 3986 CH2 TRP C 58 14.213 80.617 -16.682 1.00 16.06 C +ATOM 3987 N ASP C 59 16.611 73.447 -16.870 1.00 14.25 N +ATOM 3988 CA ASP C 59 15.568 72.430 -16.812 1.00 12.61 C +ATOM 3989 C ASP C 59 14.949 72.180 -15.435 1.00 14.43 C +ATOM 3990 O ASP C 59 13.756 71.881 -15.347 1.00 13.16 O +ATOM 3991 CB ASP C 59 16.086 71.102 -17.382 1.00 15.23 C +ATOM 3992 CG ASP C 59 16.347 71.165 -18.881 1.00 17.09 C +ATOM 3993 OD1 ASP C 59 15.505 71.732 -19.612 1.00 18.04 O +ATOM 3994 OD2 ASP C 59 17.388 70.638 -19.333 1.00 21.06 O +ATOM 3995 N ILE C 60 15.725 72.302 -14.360 1.00 13.18 N +ATOM 3996 CA ILE C 60 15.148 72.040 -13.044 1.00 14.77 C +ATOM 3997 C ILE C 60 14.156 73.117 -12.618 1.00 14.19 C +ATOM 3998 O ILE C 60 13.367 72.905 -11.703 1.00 14.16 O +ATOM 3999 CB ILE C 60 16.228 71.883 -11.929 1.00 14.89 C +ATOM 4000 CG1 ILE C 60 16.937 73.213 -11.672 1.00 15.97 C +ATOM 4001 CG2 ILE C 60 17.227 70.789 -12.313 1.00 13.86 C +ATOM 4002 CD1 ILE C 60 17.906 73.164 -10.483 1.00 16.42 C +ATOM 4003 N LEU C 61 14.190 74.265 -13.292 1.00 13.86 N +ATOM 4004 CA LEU C 61 13.292 75.367 -12.974 1.00 14.68 C +ATOM 4005 C LEU C 61 12.055 75.409 -13.861 1.00 14.67 C +ATOM 4006 O LEU C 61 11.019 75.912 -13.446 1.00 15.28 O +ATOM 4007 CB LEU C 61 14.010 76.715 -13.120 1.00 13.21 C +ATOM 4008 CG LEU C 61 15.300 76.979 -12.342 1.00 12.96 C +ATOM 4009 CD1 LEU C 61 15.779 78.392 -12.664 1.00 11.58 C +ATOM 4010 CD2 LEU C 61 15.066 76.808 -10.839 1.00 12.28 C +ATOM 4011 N SER C 62 12.157 74.879 -15.077 1.00 15.18 N +ATOM 4012 CA SER C 62 11.033 74.944 -16.008 1.00 14.34 C +ATOM 4013 C SER C 62 9.705 74.420 -15.470 1.00 14.50 C +ATOM 4014 O SER C 62 8.656 75.004 -15.732 1.00 12.40 O +ATOM 4015 CB SER C 62 11.380 74.237 -17.328 1.00 14.97 C +ATOM 4016 OG SER C 62 11.485 72.834 -17.167 1.00 17.04 O +ATOM 4017 N PRO C 63 9.724 73.324 -14.699 1.00 14.06 N +ATOM 4018 CA PRO C 63 8.420 72.863 -14.212 1.00 15.43 C +ATOM 4019 C PRO C 63 7.848 73.696 -13.064 1.00 15.32 C +ATOM 4020 O PRO C 63 6.748 73.435 -12.606 1.00 13.37 O +ATOM 4021 CB PRO C 63 8.696 71.414 -13.786 1.00 15.86 C +ATOM 4022 CG PRO C 63 9.911 71.028 -14.602 1.00 15.51 C +ATOM 4023 CD PRO C 63 10.746 72.282 -14.508 1.00 15.13 C +ATOM 4024 N GLN C 64 8.587 74.691 -12.584 1.00 16.39 N +ATOM 4025 CA GLN C 64 8.076 75.501 -11.483 1.00 17.04 C +ATOM 4026 C GLN C 64 7.358 76.724 -12.034 1.00 17.34 C +ATOM 4027 O GLN C 64 6.703 77.466 -11.304 1.00 15.77 O +ATOM 4028 CB GLN C 64 9.217 75.967 -10.568 1.00 15.90 C +ATOM 4029 CG GLN C 64 10.287 74.924 -10.248 1.00 14.21 C +ATOM 4030 CD GLN C 64 9.737 73.517 -10.086 1.00 13.29 C +ATOM 4031 OE1 GLN C 64 8.643 73.310 -9.550 1.00 15.19 O +ATOM 4032 NE2 GLN C 64 10.507 72.535 -10.538 1.00 11.83 N +ATOM 4033 N PHE C 65 7.473 76.934 -13.334 1.00 18.55 N +ATOM 4034 CA PHE C 65 6.850 78.105 -13.930 1.00 18.58 C +ATOM 4035 C PHE C 65 5.517 77.919 -14.579 1.00 20.48 C +ATOM 4036 O PHE C 65 4.745 78.863 -14.755 1.00 21.00 O +ATOM 4037 CB PHE C 65 7.765 78.610 -15.036 1.00 15.71 C +ATOM 4038 CG PHE C 65 8.981 79.292 -14.522 1.00 14.33 C +ATOM 4039 CD1 PHE C 65 10.246 78.875 -14.914 1.00 13.48 C +ATOM 4040 CD2 PHE C 65 8.864 80.325 -13.598 1.00 13.14 C +ATOM 4041 CE1 PHE C 65 11.383 79.474 -14.390 1.00 14.36 C +ATOM 4042 CE2 PHE C 65 9.996 80.933 -13.066 1.00 14.57 C +ATOM 4043 CZ PHE C 65 11.260 80.504 -13.463 1.00 13.17 C +HETATM 4044 N1 CRQ C 68 4.811 76.792 -14.975 1.00 20.99 N +HETATM 4045 CA1 CRQ C 68 4.885 75.595 -15.451 1.00 19.32 C +HETATM 4046 CB1 CRQ C 68 5.279 75.352 -16.900 1.00 19.31 C +HETATM 4047 CG1 CRQ C 68 4.917 76.495 -17.858 1.00 20.20 C +HETATM 4048 C1 CRQ C 68 4.550 74.468 -14.622 1.00 17.44 C +HETATM 4049 N2 CRQ C 68 4.758 73.216 -15.049 1.00 15.12 N +HETATM 4050 N3 CRQ C 68 3.989 74.484 -13.324 1.00 17.72 N +HETATM 4051 C2 CRQ C 68 3.825 73.146 -12.910 1.00 16.50 C +HETATM 4052 O2 CRQ C 68 3.355 72.776 -11.823 1.00 17.10 O +HETATM 4053 CA2 CRQ C 68 4.349 72.368 -14.050 1.00 16.61 C +HETATM 4054 CA3 CRQ C 68 3.682 75.702 -12.490 1.00 20.22 C +HETATM 4055 CB2 CRQ C 68 4.385 70.955 -14.031 1.00 17.23 C +HETATM 4056 CG2 CRQ C 68 4.872 70.010 -14.956 1.00 16.84 C +HETATM 4057 CD1 CRQ C 68 5.536 70.324 -16.236 1.00 17.55 C +HETATM 4058 CD2 CRQ C 68 4.728 68.588 -14.625 1.00 17.21 C +HETATM 4059 CE1 CRQ C 68 6.000 69.323 -17.088 1.00 16.32 C +HETATM 4060 CE2 CRQ C 68 5.189 67.588 -15.474 1.00 16.54 C +HETATM 4061 CZ CRQ C 68 5.852 67.898 -16.756 1.00 16.31 C +HETATM 4062 OH CRQ C 68 6.267 66.996 -17.518 1.00 17.59 O +HETATM 4063 OE1 CRQ C 68 6.198 75.821 -19.706 1.00 21.37 O +HETATM 4064 C3 CRQ C 68 2.486 76.640 -12.704 1.00 22.56 C +HETATM 4065 O3 CRQ C 68 1.783 76.597 -11.693 1.00 26.03 O +HETATM 4066 CD3 CRQ C 68 5.135 76.323 -19.344 1.00 20.90 C +HETATM 4067 NE1 CRQ C 68 4.177 76.740 -20.217 1.00 19.84 N +ATOM 4068 N SER C 69 1.910 76.713 -13.925 1.00 24.98 N +ATOM 4069 CA SER C 69 0.501 76.533 -14.406 1.00 23.44 C +ATOM 4070 C SER C 69 -0.563 75.421 -14.393 1.00 22.79 C +ATOM 4071 O SER C 69 -1.248 75.300 -15.402 1.00 21.40 O +ATOM 4072 CB SER C 69 0.483 77.022 -15.855 1.00 25.50 C +ATOM 4073 OG SER C 69 0.191 78.378 -15.804 1.00 27.18 O +ATOM 4074 N LYS C 70 -0.739 74.615 -13.354 1.00 21.66 N +ATOM 4075 CA LYS C 70 -1.788 73.576 -13.422 1.00 20.28 C +ATOM 4076 C LYS C 70 -3.259 74.030 -13.630 1.00 20.41 C +ATOM 4077 O LYS C 70 -4.145 73.191 -13.794 1.00 18.36 O +ATOM 4078 CB LYS C 70 -1.725 72.680 -12.187 1.00 22.96 C +ATOM 4079 CG LYS C 70 -0.409 71.945 -12.047 1.00 28.40 C +ATOM 4080 CD LYS C 70 -0.416 70.555 -12.680 1.00 33.11 C +ATOM 4081 CE LYS C 70 -0.341 70.597 -14.193 1.00 35.65 C +ATOM 4082 NZ LYS C 70 0.986 71.076 -14.671 1.00 39.73 N +ATOM 4083 N VAL C 71 -3.552 75.328 -13.601 1.00 18.94 N +ATOM 4084 CA VAL C 71 -4.932 75.780 -13.817 1.00 17.28 C +ATOM 4085 C VAL C 71 -5.275 75.637 -15.309 1.00 17.59 C +ATOM 4086 O VAL C 71 -6.442 75.666 -15.700 1.00 17.30 O +ATOM 4087 CB VAL C 71 -5.118 77.252 -13.381 1.00 18.20 C +ATOM 4088 CG1 VAL C 71 -4.507 78.184 -14.408 1.00 17.82 C +ATOM 4089 CG2 VAL C 71 -6.579 77.545 -13.164 1.00 17.72 C +ATOM 4090 N TYR C 72 -4.248 75.465 -16.139 1.00 17.03 N +ATOM 4091 CA TYR C 72 -4.443 75.303 -17.579 1.00 17.76 C +ATOM 4092 C TYR C 72 -4.589 73.841 -18.017 1.00 17.86 C +ATOM 4093 O TYR C 72 -4.583 73.548 -19.212 1.00 19.35 O +ATOM 4094 CB TYR C 72 -3.286 75.933 -18.363 1.00 16.71 C +ATOM 4095 CG TYR C 72 -3.224 77.446 -18.315 1.00 16.44 C +ATOM 4096 CD1 TYR C 72 -2.647 78.108 -17.232 1.00 17.71 C +ATOM 4097 CD2 TYR C 72 -3.727 78.216 -19.368 1.00 16.96 C +ATOM 4098 CE1 TYR C 72 -2.564 79.500 -17.198 1.00 17.54 C +ATOM 4099 CE2 TYR C 72 -3.651 79.607 -19.343 1.00 17.79 C +ATOM 4100 CZ TYR C 72 -3.067 80.241 -18.257 1.00 18.48 C +ATOM 4101 OH TYR C 72 -2.976 81.614 -18.229 1.00 18.19 O +ATOM 4102 N VAL C 73 -4.714 72.923 -17.062 1.00 17.59 N +ATOM 4103 CA VAL C 73 -4.872 71.511 -17.407 1.00 16.42 C +ATOM 4104 C VAL C 73 -6.283 71.232 -17.912 1.00 16.11 C +ATOM 4105 O VAL C 73 -7.267 71.536 -17.237 1.00 14.96 O +ATOM 4106 CB VAL C 73 -4.610 70.587 -16.194 1.00 18.03 C +ATOM 4107 CG1 VAL C 73 -4.896 69.128 -16.571 1.00 17.25 C +ATOM 4108 CG2 VAL C 73 -3.171 70.742 -15.727 1.00 16.79 C +ATOM 4109 N LYS C 74 -6.375 70.660 -19.104 1.00 15.34 N +ATOM 4110 CA LYS C 74 -7.664 70.317 -19.684 1.00 17.09 C +ATOM 4111 C LYS C 74 -8.248 69.145 -18.896 1.00 18.01 C +ATOM 4112 O LYS C 74 -7.621 68.089 -18.792 1.00 17.89 O +ATOM 4113 CB LYS C 74 -7.483 69.910 -21.149 1.00 19.46 C +ATOM 4114 CG LYS C 74 -8.759 69.479 -21.853 1.00 19.62 C +ATOM 4115 CD LYS C 74 -8.494 69.151 -23.313 1.00 20.39 C +ATOM 4116 CE LYS C 74 -9.789 68.810 -24.043 1.00 22.34 C +ATOM 4117 NZ LYS C 74 -9.562 68.557 -25.492 1.00 24.50 N +ATOM 4118 N HIS C 75 -9.436 69.332 -18.334 1.00 16.20 N +ATOM 4119 CA HIS C 75 -10.083 68.268 -17.571 1.00 18.80 C +ATOM 4120 C HIS C 75 -11.394 67.831 -18.214 1.00 19.61 C +ATOM 4121 O HIS C 75 -12.171 68.664 -18.691 1.00 19.99 O +ATOM 4122 CB HIS C 75 -10.381 68.716 -16.136 1.00 19.08 C +ATOM 4123 CG HIS C 75 -9.195 68.689 -15.222 1.00 19.81 C +ATOM 4124 ND1 HIS C 75 -8.165 69.601 -15.305 1.00 17.17 N +ATOM 4125 CD2 HIS C 75 -8.884 67.864 -14.193 1.00 20.64 C +ATOM 4126 CE1 HIS C 75 -7.273 69.342 -14.366 1.00 19.78 C +ATOM 4127 NE2 HIS C 75 -7.685 68.293 -13.677 1.00 20.31 N +ATOM 4128 N PRO C 76 -11.650 66.512 -18.252 1.00 21.56 N +ATOM 4129 CA PRO C 76 -12.895 66.007 -18.839 1.00 20.24 C +ATOM 4130 C PRO C 76 -14.020 66.458 -17.911 1.00 21.53 C +ATOM 4131 O PRO C 76 -13.797 66.667 -16.714 1.00 18.82 O +ATOM 4132 CB PRO C 76 -12.706 64.488 -18.811 1.00 22.12 C +ATOM 4133 CG PRO C 76 -11.219 64.317 -18.846 1.00 22.63 C +ATOM 4134 CD PRO C 76 -10.741 65.402 -17.917 1.00 21.64 C +ATOM 4135 N ALA C 77 -15.226 66.598 -18.449 1.00 21.85 N +ATOM 4136 CA ALA C 77 -16.354 67.048 -17.646 1.00 21.33 C +ATOM 4137 C ALA C 77 -16.650 66.195 -16.410 1.00 22.53 C +ATOM 4138 O ALA C 77 -17.181 66.706 -15.427 1.00 23.60 O +ATOM 4139 CB ALA C 77 -17.599 67.152 -18.521 1.00 22.40 C +ATOM 4140 N ASP C 78 -16.303 64.910 -16.439 1.00 22.27 N +ATOM 4141 CA ASP C 78 -16.585 64.043 -15.297 1.00 22.71 C +ATOM 4142 C ASP C 78 -15.504 63.990 -14.214 1.00 22.29 C +ATOM 4143 O ASP C 78 -15.625 63.230 -13.253 1.00 22.72 O +ATOM 4144 CB ASP C 78 -16.928 62.624 -15.776 1.00 24.08 C +ATOM 4145 CG ASP C 78 -15.750 61.910 -16.409 1.00 23.48 C +ATOM 4146 OD1 ASP C 78 -14.984 62.552 -17.152 1.00 25.45 O +ATOM 4147 OD2 ASP C 78 -15.601 60.694 -16.174 1.00 25.24 O +ATOM 4148 N ILE C 79 -14.455 64.796 -14.366 1.00 20.38 N +ATOM 4149 CA ILE C 79 -13.378 64.865 -13.374 1.00 18.53 C +ATOM 4150 C ILE C 79 -13.353 66.303 -12.849 1.00 18.40 C +ATOM 4151 O ILE C 79 -12.953 67.221 -13.559 1.00 18.85 O +ATOM 4152 CB ILE C 79 -12.002 64.536 -14.003 1.00 18.30 C +ATOM 4153 CG1 ILE C 79 -11.979 63.080 -14.475 1.00 20.04 C +ATOM 4154 CG2 ILE C 79 -10.884 64.781 -12.991 1.00 17.40 C +ATOM 4155 CD1 ILE C 79 -10.680 62.675 -15.160 1.00 19.00 C +ATOM 4156 N PRO C 80 -13.792 66.521 -11.599 1.00 18.89 N +ATOM 4157 CA PRO C 80 -13.784 67.891 -11.072 1.00 19.59 C +ATOM 4158 C PRO C 80 -12.444 68.610 -11.203 1.00 20.16 C +ATOM 4159 O PRO C 80 -11.396 68.090 -10.812 1.00 19.26 O +ATOM 4160 CB PRO C 80 -14.236 67.718 -9.618 1.00 20.28 C +ATOM 4161 CG PRO C 80 -13.963 66.272 -9.315 1.00 23.80 C +ATOM 4162 CD PRO C 80 -14.284 65.566 -10.595 1.00 19.24 C +ATOM 4163 N ASP C 81 -12.491 69.809 -11.773 1.00 19.27 N +ATOM 4164 CA ASP C 81 -11.293 70.612 -11.980 1.00 18.10 C +ATOM 4165 C ASP C 81 -11.070 71.485 -10.751 1.00 17.47 C +ATOM 4166 O ASP C 81 -11.340 72.687 -10.763 1.00 17.80 O +ATOM 4167 CB ASP C 81 -11.450 71.496 -13.218 1.00 18.33 C +ATOM 4168 CG ASP C 81 -10.116 71.941 -13.787 1.00 19.47 C +ATOM 4169 OD1 ASP C 81 -9.198 72.261 -12.995 1.00 16.98 O +ATOM 4170 OD2 ASP C 81 -9.989 71.977 -15.030 1.00 19.02 O +ATOM 4171 N TYR C 82 -10.585 70.837 -9.698 1.00 14.68 N +ATOM 4172 CA TYR C 82 -10.284 71.436 -8.407 1.00 15.13 C +ATOM 4173 C TYR C 82 -9.609 72.804 -8.525 1.00 14.46 C +ATOM 4174 O TYR C 82 -10.054 73.785 -7.926 1.00 14.18 O +ATOM 4175 CB TYR C 82 -9.380 70.456 -7.637 1.00 16.12 C +ATOM 4176 CG TYR C 82 -8.965 70.876 -6.247 1.00 15.95 C +ATOM 4177 CD1 TYR C 82 -9.890 70.934 -5.209 1.00 14.65 C +ATOM 4178 CD2 TYR C 82 -7.631 71.175 -5.961 1.00 16.26 C +ATOM 4179 CE1 TYR C 82 -9.503 71.274 -3.919 1.00 17.46 C +ATOM 4180 CE2 TYR C 82 -7.231 71.521 -4.671 1.00 17.93 C +ATOM 4181 CZ TYR C 82 -8.172 71.567 -3.656 1.00 17.33 C +ATOM 4182 OH TYR C 82 -7.786 71.909 -2.383 1.00 19.59 O +ATOM 4183 N LYS C 83 -8.533 72.869 -9.302 1.00 13.96 N +ATOM 4184 CA LYS C 83 -7.805 74.118 -9.455 1.00 14.63 C +ATOM 4185 C LYS C 83 -8.610 75.243 -10.112 1.00 15.70 C +ATOM 4186 O LYS C 83 -8.557 76.383 -9.650 1.00 15.72 O +ATOM 4187 CB LYS C 83 -6.480 73.854 -10.181 1.00 14.10 C +ATOM 4188 CG LYS C 83 -5.464 73.181 -9.256 1.00 15.54 C +ATOM 4189 CD LYS C 83 -4.133 72.857 -9.922 1.00 17.03 C +ATOM 4190 CE LYS C 83 -4.014 71.370 -10.254 1.00 17.66 C +ATOM 4191 NZ LYS C 83 -4.857 70.973 -11.418 1.00 19.00 N +ATOM 4192 N LYS C 84 -9.364 74.941 -11.168 1.00 14.44 N +ATOM 4193 CA LYS C 84 -10.179 75.978 -11.804 1.00 14.81 C +ATOM 4194 C LYS C 84 -11.278 76.447 -10.849 1.00 15.47 C +ATOM 4195 O LYS C 84 -11.568 77.639 -10.760 1.00 15.96 O +ATOM 4196 CB LYS C 84 -10.823 75.468 -13.097 1.00 14.43 C +ATOM 4197 CG LYS C 84 -9.896 75.442 -14.302 1.00 16.63 C +ATOM 4198 CD LYS C 84 -10.691 75.218 -15.580 1.00 16.17 C +ATOM 4199 CE LYS C 84 -9.780 75.041 -16.779 1.00 15.00 C +ATOM 4200 NZ LYS C 84 -8.877 73.854 -16.633 1.00 17.65 N +ATOM 4201 N LEU C 85 -11.882 75.501 -10.134 1.00 17.02 N +ATOM 4202 CA LEU C 85 -12.955 75.802 -9.183 1.00 16.79 C +ATOM 4203 C LEU C 85 -12.480 76.678 -8.027 1.00 17.75 C +ATOM 4204 O LEU C 85 -13.282 77.373 -7.407 1.00 16.72 O +ATOM 4205 CB LEU C 85 -13.527 74.504 -8.597 1.00 18.77 C +ATOM 4206 CG LEU C 85 -14.167 73.470 -9.528 1.00 18.34 C +ATOM 4207 CD1 LEU C 85 -14.292 72.144 -8.804 1.00 22.06 C +ATOM 4208 CD2 LEU C 85 -15.532 73.966 -9.996 1.00 22.86 C +ATOM 4209 N SER C 86 -11.180 76.636 -7.736 1.00 15.12 N +ATOM 4210 CA SER C 86 -10.620 77.403 -6.626 1.00 17.39 C +ATOM 4211 C SER C 86 -10.650 78.909 -6.853 1.00 17.47 C +ATOM 4212 O SER C 86 -10.562 79.686 -5.904 1.00 17.44 O +ATOM 4213 CB SER C 86 -9.173 76.971 -6.346 1.00 16.71 C +ATOM 4214 OG SER C 86 -8.279 77.497 -7.318 1.00 16.50 O +ATOM 4215 N PHE C 87 -10.768 79.331 -8.105 1.00 17.67 N +ATOM 4216 CA PHE C 87 -10.795 80.761 -8.377 1.00 18.87 C +ATOM 4217 C PHE C 87 -12.176 81.371 -8.168 1.00 19.74 C +ATOM 4218 O PHE C 87 -13.172 80.650 -8.071 1.00 20.23 O +ATOM 4219 CB PHE C 87 -10.268 81.027 -9.790 1.00 18.71 C +ATOM 4220 CG PHE C 87 -8.792 80.793 -9.919 1.00 17.95 C +ATOM 4221 CD1 PHE C 87 -8.290 79.513 -10.136 1.00 17.06 C +ATOM 4222 CD2 PHE C 87 -7.896 81.844 -9.745 1.00 17.08 C +ATOM 4223 CE1 PHE C 87 -6.920 79.283 -10.177 1.00 18.70 C +ATOM 4224 CE2 PHE C 87 -6.522 81.626 -9.783 1.00 18.10 C +ATOM 4225 CZ PHE C 87 -6.030 80.345 -9.998 1.00 17.48 C +ATOM 4226 N PRO C 88 -12.261 82.712 -8.093 1.00 20.25 N +ATOM 4227 CA PRO C 88 -11.206 83.732 -8.207 1.00 20.02 C +ATOM 4228 C PRO C 88 -10.128 83.778 -7.116 1.00 19.74 C +ATOM 4229 O PRO C 88 -9.056 84.335 -7.338 1.00 20.09 O +ATOM 4230 CB PRO C 88 -12.002 85.029 -8.264 1.00 17.81 C +ATOM 4231 CG PRO C 88 -13.126 84.745 -7.338 1.00 20.49 C +ATOM 4232 CD PRO C 88 -13.549 83.345 -7.752 1.00 20.13 C +ATOM 4233 N GLU C 89 -10.410 83.218 -5.945 1.00 19.73 N +ATOM 4234 CA GLU C 89 -9.441 83.219 -4.850 1.00 21.46 C +ATOM 4235 C GLU C 89 -8.147 82.550 -5.299 1.00 20.12 C +ATOM 4236 O GLU C 89 -7.066 83.139 -5.214 1.00 19.26 O +ATOM 4237 CB GLU C 89 -10.007 82.485 -3.631 1.00 24.45 C +ATOM 4238 CG GLU C 89 -11.282 83.097 -3.055 1.00 30.40 C +ATOM 4239 CD GLU C 89 -12.502 82.937 -3.958 1.00 32.78 C +ATOM 4240 OE1 GLU C 89 -12.401 82.295 -5.027 1.00 33.67 O +ATOM 4241 OE2 GLU C 89 -13.578 83.453 -3.586 1.00 36.86 O +ATOM 4242 N GLY C 90 -8.257 81.313 -5.771 1.00 18.77 N +ATOM 4243 CA GLY C 90 -7.075 80.614 -6.242 1.00 17.02 C +ATOM 4244 C GLY C 90 -6.608 79.467 -5.368 1.00 15.47 C +ATOM 4245 O GLY C 90 -7.364 78.929 -4.557 1.00 14.34 O +ATOM 4246 N PHE C 91 -5.345 79.093 -5.535 1.00 14.74 N +ATOM 4247 CA PHE C 91 -4.791 77.985 -4.775 1.00 14.94 C +ATOM 4248 C PHE C 91 -3.292 78.147 -4.604 1.00 15.14 C +ATOM 4249 O PHE C 91 -2.678 79.024 -5.205 1.00 15.31 O +ATOM 4250 CB PHE C 91 -5.099 76.665 -5.497 1.00 14.44 C +ATOM 4251 CG PHE C 91 -4.405 76.517 -6.831 1.00 14.89 C +ATOM 4252 CD1 PHE C 91 -4.915 77.135 -7.974 1.00 15.85 C +ATOM 4253 CD2 PHE C 91 -3.241 75.756 -6.946 1.00 15.76 C +ATOM 4254 CE1 PHE C 91 -4.273 76.997 -9.216 1.00 13.23 C +ATOM 4255 CE2 PHE C 91 -2.592 75.609 -8.180 1.00 15.25 C +ATOM 4256 CZ PHE C 91 -3.110 76.231 -9.316 1.00 15.07 C +ATOM 4257 N LYS C 92 -2.715 77.314 -3.750 1.00 13.87 N +ATOM 4258 CA LYS C 92 -1.282 77.332 -3.520 1.00 13.66 C +ATOM 4259 C LYS C 92 -0.816 75.922 -3.829 1.00 13.86 C +ATOM 4260 O LYS C 92 -1.593 74.969 -3.726 1.00 13.94 O +ATOM 4261 CB LYS C 92 -0.957 77.636 -2.056 1.00 15.02 C +ATOM 4262 CG LYS C 92 -1.325 79.030 -1.586 1.00 16.08 C +ATOM 4263 CD LYS C 92 -0.930 79.228 -0.126 1.00 19.64 C +ATOM 4264 CE LYS C 92 -1.339 80.609 0.377 1.00 21.03 C +ATOM 4265 NZ LYS C 92 -1.031 80.781 1.819 1.00 27.45 N +ATOM 4266 N TRP C 93 0.437 75.781 -4.236 1.00 13.87 N +ATOM 4267 CA TRP C 93 0.957 74.451 -4.481 1.00 13.57 C +ATOM 4268 C TRP C 93 2.383 74.386 -3.971 1.00 13.94 C +ATOM 4269 O TRP C 93 3.110 75.385 -3.988 1.00 11.99 O +ATOM 4270 CB TRP C 93 0.868 74.056 -5.967 1.00 14.72 C +ATOM 4271 CG TRP C 93 1.703 74.842 -6.948 1.00 14.18 C +ATOM 4272 CD1 TRP C 93 1.273 75.852 -7.768 1.00 16.54 C +ATOM 4273 CD2 TRP C 93 3.086 74.631 -7.268 1.00 14.92 C +ATOM 4274 NE1 TRP C 93 2.298 76.274 -8.579 1.00 13.26 N +ATOM 4275 CE2 TRP C 93 3.422 75.544 -8.292 1.00 13.65 C +ATOM 4276 CE3 TRP C 93 4.074 73.758 -6.790 1.00 12.28 C +ATOM 4277 CZ2 TRP C 93 4.705 75.608 -8.849 1.00 12.92 C +ATOM 4278 CZ3 TRP C 93 5.349 73.823 -7.342 1.00 11.39 C +ATOM 4279 CH2 TRP C 93 5.652 74.744 -8.361 1.00 11.54 C +ATOM 4280 N GLU C 94 2.760 73.221 -3.463 1.00 12.53 N +ATOM 4281 CA GLU C 94 4.101 73.020 -2.949 1.00 13.93 C +ATOM 4282 C GLU C 94 4.586 71.723 -3.566 1.00 14.12 C +ATOM 4283 O GLU C 94 3.786 70.916 -4.038 1.00 13.75 O +ATOM 4284 CB GLU C 94 4.091 72.985 -1.410 1.00 14.41 C +ATOM 4285 CG GLU C 94 3.601 74.318 -0.817 1.00 15.04 C +ATOM 4286 CD GLU C 94 3.769 74.443 0.694 1.00 17.93 C +ATOM 4287 OE1 GLU C 94 3.394 73.501 1.419 1.00 15.94 O +ATOM 4288 OE2 GLU C 94 4.260 75.500 1.161 1.00 18.06 O +ATOM 4289 N ARG C 95 5.894 71.520 -3.574 1.00 13.65 N +ATOM 4290 CA ARG C 95 6.432 70.342 -4.225 1.00 13.45 C +ATOM 4291 C ARG C 95 7.807 69.951 -3.710 1.00 15.35 C +ATOM 4292 O ARG C 95 8.555 70.787 -3.204 1.00 14.52 O +ATOM 4293 CB ARG C 95 6.492 70.638 -5.728 1.00 12.79 C +ATOM 4294 CG ARG C 95 7.378 69.749 -6.583 1.00 12.92 C +ATOM 4295 CD ARG C 95 7.364 70.284 -8.019 1.00 10.70 C +ATOM 4296 NE ARG C 95 6.031 70.178 -8.610 1.00 11.40 N +ATOM 4297 CZ ARG C 95 5.627 70.845 -9.687 1.00 12.82 C +ATOM 4298 NH1 ARG C 95 6.452 71.684 -10.300 1.00 13.10 N +ATOM 4299 NH2 ARG C 95 4.399 70.660 -10.160 1.00 11.68 N +ATOM 4300 N VAL C 96 8.114 68.663 -3.828 1.00 14.45 N +ATOM 4301 CA VAL C 96 9.412 68.137 -3.441 1.00 13.54 C +ATOM 4302 C VAL C 96 9.944 67.504 -4.714 1.00 13.79 C +ATOM 4303 O VAL C 96 9.196 66.854 -5.444 1.00 12.64 O +ATOM 4304 CB VAL C 96 9.324 67.000 -2.379 1.00 14.95 C +ATOM 4305 CG1 VAL C 96 10.728 66.605 -1.936 1.00 16.12 C +ATOM 4306 CG2 VAL C 96 8.499 67.430 -1.194 1.00 16.42 C +ATOM 4307 N MET C 97 11.220 67.719 -5.001 1.00 14.13 N +ATOM 4308 CA MET C 97 11.841 67.098 -6.159 1.00 13.66 C +ATOM 4309 C MET C 97 13.047 66.340 -5.630 1.00 14.64 C +ATOM 4310 O MET C 97 14.010 66.944 -5.147 1.00 12.81 O +ATOM 4311 CB MET C 97 12.289 68.133 -7.202 1.00 15.38 C +ATOM 4312 CG MET C 97 11.147 68.766 -8.007 1.00 15.39 C +ATOM 4313 SD MET C 97 11.717 69.595 -9.523 1.00 18.73 S +ATOM 4314 CE MET C 97 12.646 70.936 -8.829 1.00 17.59 C +ATOM 4315 N ASN C 98 12.976 65.015 -5.698 1.00 13.64 N +ATOM 4316 CA ASN C 98 14.067 64.167 -5.236 1.00 14.53 C +ATOM 4317 C ASN C 98 14.827 63.653 -6.448 1.00 13.03 C +ATOM 4318 O ASN C 98 14.300 62.844 -7.210 1.00 12.66 O +ATOM 4319 CB ASN C 98 13.517 62.984 -4.431 1.00 15.10 C +ATOM 4320 CG ASN C 98 12.806 63.420 -3.162 1.00 16.28 C +ATOM 4321 OD1 ASN C 98 13.387 64.092 -2.318 1.00 14.82 O +ATOM 4322 ND2 ASN C 98 11.543 63.030 -3.022 1.00 17.18 N +ATOM 4323 N PHE C 99 16.057 64.137 -6.629 1.00 13.24 N +ATOM 4324 CA PHE C 99 16.899 63.728 -7.755 1.00 13.10 C +ATOM 4325 C PHE C 99 17.677 62.473 -7.356 1.00 12.68 C +ATOM 4326 O PHE C 99 18.030 62.309 -6.193 1.00 13.02 O +ATOM 4327 CB PHE C 99 17.860 64.859 -8.136 1.00 12.81 C +ATOM 4328 CG PHE C 99 17.170 66.105 -8.637 1.00 13.27 C +ATOM 4329 CD1 PHE C 99 16.499 66.952 -7.761 1.00 14.74 C +ATOM 4330 CD2 PHE C 99 17.187 66.426 -9.988 1.00 15.68 C +ATOM 4331 CE1 PHE C 99 15.856 68.100 -8.224 1.00 13.29 C +ATOM 4332 CE2 PHE C 99 16.546 67.572 -10.465 1.00 15.32 C +ATOM 4333 CZ PHE C 99 15.879 68.410 -9.580 1.00 14.72 C +ATOM 4334 N GLU C 100 17.954 61.595 -8.317 1.00 14.53 N +ATOM 4335 CA GLU C 100 18.635 60.339 -8.015 1.00 13.12 C +ATOM 4336 C GLU C 100 20.067 60.427 -7.505 1.00 15.12 C +ATOM 4337 O GLU C 100 20.575 59.462 -6.932 1.00 13.58 O +ATOM 4338 CB GLU C 100 18.579 59.390 -9.222 1.00 15.20 C +ATOM 4339 CG GLU C 100 19.181 59.918 -10.506 1.00 15.68 C +ATOM 4340 CD GLU C 100 19.327 58.828 -11.555 1.00 17.03 C +ATOM 4341 OE1 GLU C 100 19.588 57.665 -11.178 1.00 17.09 O +ATOM 4342 OE2 GLU C 100 19.187 59.128 -12.756 1.00 16.25 O +ATOM 4343 N ASP C 101 20.725 61.566 -7.693 1.00 12.34 N +ATOM 4344 CA ASP C 101 22.091 61.696 -7.205 1.00 14.00 C +ATOM 4345 C ASP C 101 22.151 62.503 -5.905 1.00 14.95 C +ATOM 4346 O ASP C 101 23.196 63.038 -5.537 1.00 15.91 O +ATOM 4347 CB ASP C 101 22.994 62.313 -8.284 1.00 12.40 C +ATOM 4348 CG ASP C 101 22.569 63.710 -8.682 1.00 14.23 C +ATOM 4349 OD1 ASP C 101 21.456 64.135 -8.305 1.00 14.33 O +ATOM 4350 OD2 ASP C 101 23.351 64.382 -9.390 1.00 12.70 O +ATOM 4351 N GLY C 102 21.018 62.590 -5.211 1.00 14.83 N +ATOM 4352 CA GLY C 102 20.989 63.295 -3.943 1.00 13.93 C +ATOM 4353 C GLY C 102 20.386 64.683 -3.920 1.00 13.70 C +ATOM 4354 O GLY C 102 19.946 65.135 -2.870 1.00 13.18 O +ATOM 4355 N GLY C 103 20.373 65.367 -5.059 1.00 13.32 N +ATOM 4356 CA GLY C 103 19.805 66.700 -5.094 1.00 13.10 C +ATOM 4357 C GLY C 103 18.369 66.702 -4.609 1.00 14.80 C +ATOM 4358 O GLY C 103 17.616 65.766 -4.901 1.00 14.87 O +ATOM 4359 N VAL C 104 17.991 67.737 -3.858 1.00 13.37 N +ATOM 4360 CA VAL C 104 16.631 67.858 -3.338 1.00 13.22 C +ATOM 4361 C VAL C 104 16.135 69.293 -3.425 1.00 14.07 C +ATOM 4362 O VAL C 104 16.856 70.243 -3.089 1.00 12.86 O +ATOM 4363 CB VAL C 104 16.535 67.430 -1.852 1.00 15.17 C +ATOM 4364 CG1 VAL C 104 15.093 67.533 -1.378 1.00 13.82 C +ATOM 4365 CG2 VAL C 104 17.056 66.026 -1.674 1.00 14.02 C +ATOM 4366 N VAL C 105 14.895 69.450 -3.869 1.00 12.41 N +ATOM 4367 CA VAL C 105 14.302 70.771 -3.986 1.00 12.49 C +ATOM 4368 C VAL C 105 12.910 70.826 -3.382 1.00 13.83 C +ATOM 4369 O VAL C 105 12.137 69.868 -3.500 1.00 12.47 O +ATOM 4370 CB VAL C 105 14.169 71.206 -5.471 1.00 14.60 C +ATOM 4371 CG1 VAL C 105 13.438 72.542 -5.559 1.00 13.36 C +ATOM 4372 CG2 VAL C 105 15.543 71.325 -6.115 1.00 13.53 C +ATOM 4373 N THR C 106 12.606 71.927 -2.696 1.00 10.84 N +ATOM 4374 CA THR C 106 11.262 72.132 -2.177 1.00 11.15 C +ATOM 4375 C THR C 106 10.818 73.440 -2.804 1.00 11.87 C +ATOM 4376 O THR C 106 11.630 74.353 -3.001 1.00 11.79 O +ATOM 4377 CB THR C 106 11.165 72.221 -0.622 1.00 12.77 C +ATOM 4378 OG1 THR C 106 12.057 73.218 -0.119 1.00 11.91 O +ATOM 4379 CG2 THR C 106 11.475 70.880 -0.003 1.00 12.48 C +ATOM 4380 N VAL C 107 9.537 73.512 -3.143 1.00 10.63 N +ATOM 4381 CA VAL C 107 8.972 74.687 -3.785 1.00 13.14 C +ATOM 4382 C VAL C 107 7.632 75.041 -3.153 1.00 12.15 C +ATOM 4383 O VAL C 107 6.845 74.159 -2.807 1.00 11.01 O +ATOM 4384 CB VAL C 107 8.720 74.417 -5.291 1.00 13.42 C +ATOM 4385 CG1 VAL C 107 8.390 75.721 -6.017 1.00 15.51 C +ATOM 4386 CG2 VAL C 107 9.924 73.729 -5.905 1.00 11.79 C +ATOM 4387 N THR C 108 7.388 76.330 -2.968 1.00 12.58 N +ATOM 4388 CA THR C 108 6.112 76.773 -2.440 1.00 12.21 C +ATOM 4389 C THR C 108 5.639 77.871 -3.391 1.00 14.27 C +ATOM 4390 O THR C 108 6.427 78.722 -3.811 1.00 13.17 O +ATOM 4391 CB THR C 108 6.227 77.273 -0.979 1.00 11.39 C +ATOM 4392 OG1 THR C 108 4.927 77.644 -0.510 1.00 12.14 O +ATOM 4393 CG2 THR C 108 7.176 78.453 -0.868 1.00 10.51 C +ATOM 4394 N GLN C 109 4.361 77.843 -3.751 1.00 14.00 N +ATOM 4395 CA GLN C 109 3.855 78.813 -4.712 1.00 15.06 C +ATOM 4396 C GLN C 109 2.435 79.259 -4.429 1.00 15.65 C +ATOM 4397 O GLN C 109 1.622 78.488 -3.917 1.00 14.74 O +ATOM 4398 CB GLN C 109 3.920 78.202 -6.117 1.00 13.72 C +ATOM 4399 CG GLN C 109 3.735 79.190 -7.261 1.00 15.90 C +ATOM 4400 CD GLN C 109 2.318 79.240 -7.790 1.00 16.07 C +ATOM 4401 OE1 GLN C 109 1.364 78.955 -7.068 1.00 13.79 O +ATOM 4402 NE2 GLN C 109 2.172 79.621 -9.060 1.00 14.69 N +ATOM 4403 N ASP C 110 2.137 80.509 -4.772 1.00 14.70 N +ATOM 4404 CA ASP C 110 0.798 81.034 -4.578 1.00 15.62 C +ATOM 4405 C ASP C 110 0.238 81.479 -5.915 1.00 15.99 C +ATOM 4406 O ASP C 110 0.903 82.194 -6.677 1.00 14.14 O +ATOM 4407 CB ASP C 110 0.794 82.211 -3.603 1.00 16.85 C +ATOM 4408 CG ASP C 110 -0.602 82.765 -3.379 1.00 19.39 C +ATOM 4409 OD1 ASP C 110 -1.103 83.513 -4.247 1.00 18.33 O +ATOM 4410 OD2 ASP C 110 -1.209 82.435 -2.340 1.00 19.51 O +ATOM 4411 N SER C 111 -0.980 81.035 -6.203 1.00 15.16 N +ATOM 4412 CA SER C 111 -1.638 81.380 -7.448 1.00 15.72 C +ATOM 4413 C SER C 111 -2.925 82.138 -7.150 1.00 17.02 C +ATOM 4414 O SER C 111 -3.796 81.650 -6.431 1.00 13.56 O +ATOM 4415 CB SER C 111 -1.943 80.117 -8.252 1.00 14.28 C +ATOM 4416 OG SER C 111 -0.748 79.407 -8.544 1.00 16.99 O +ATOM 4417 N SER C 112 -3.034 83.334 -7.717 1.00 16.94 N +ATOM 4418 CA SER C 112 -4.200 84.176 -7.506 1.00 18.06 C +ATOM 4419 C SER C 112 -4.662 84.782 -8.828 1.00 19.15 C +ATOM 4420 O SER C 112 -4.012 84.613 -9.863 1.00 17.25 O +ATOM 4421 CB SER C 112 -3.857 85.292 -6.512 1.00 19.21 C +ATOM 4422 OG SER C 112 -2.841 86.136 -7.034 1.00 17.58 O +ATOM 4423 N LEU C 113 -5.791 85.483 -8.782 1.00 20.67 N +ATOM 4424 CA LEU C 113 -6.363 86.124 -9.963 1.00 20.59 C +ATOM 4425 C LEU C 113 -6.497 87.611 -9.678 1.00 20.27 C +ATOM 4426 O LEU C 113 -7.210 88.017 -8.758 1.00 21.30 O +ATOM 4427 CB LEU C 113 -7.734 85.519 -10.283 1.00 21.07 C +ATOM 4428 CG LEU C 113 -8.499 86.115 -11.468 1.00 21.79 C +ATOM 4429 CD1 LEU C 113 -7.622 86.119 -12.716 1.00 19.65 C +ATOM 4430 CD2 LEU C 113 -9.771 85.311 -11.695 1.00 22.96 C +ATOM 4431 N GLN C 114 -5.803 88.418 -10.472 1.00 20.42 N +ATOM 4432 CA GLN C 114 -5.804 89.863 -10.293 1.00 22.71 C +ATOM 4433 C GLN C 114 -5.951 90.604 -11.614 1.00 22.90 C +ATOM 4434 O GLN C 114 -5.157 90.416 -12.534 1.00 21.10 O +ATOM 4435 CB GLN C 114 -4.504 90.298 -9.609 1.00 23.43 C +ATOM 4436 CG GLN C 114 -4.346 89.773 -8.186 1.00 26.15 C +ATOM 4437 CD GLN C 114 -2.968 90.041 -7.607 1.00 27.15 C +ATOM 4438 OE1 GLN C 114 -2.436 91.149 -7.720 1.00 25.45 O +ATOM 4439 NE2 GLN C 114 -2.385 89.025 -6.972 1.00 26.20 N +ATOM 4440 N ASP C 115 -6.982 91.438 -11.696 1.00 24.33 N +ATOM 4441 CA ASP C 115 -7.252 92.235 -12.888 1.00 25.47 C +ATOM 4442 C ASP C 115 -7.339 91.390 -14.161 1.00 24.96 C +ATOM 4443 O ASP C 115 -6.819 91.771 -15.215 1.00 25.17 O +ATOM 4444 CB ASP C 115 -6.179 93.316 -13.030 1.00 26.10 C +ATOM 4445 CG ASP C 115 -6.658 94.512 -13.828 1.00 29.04 C +ATOM 4446 OD1 ASP C 115 -7.849 94.874 -13.701 1.00 28.81 O +ATOM 4447 OD2 ASP C 115 -5.841 95.100 -14.567 1.00 29.87 O +ATOM 4448 N GLY C 116 -8.000 90.240 -14.048 1.00 24.02 N +ATOM 4449 CA GLY C 116 -8.181 89.354 -15.185 1.00 23.24 C +ATOM 4450 C GLY C 116 -6.950 88.564 -15.585 1.00 22.11 C +ATOM 4451 O GLY C 116 -6.952 87.877 -16.605 1.00 21.93 O +ATOM 4452 N CYS C 117 -5.903 88.650 -14.776 1.00 20.49 N +ATOM 4453 CA CYS C 117 -4.659 87.955 -15.064 1.00 21.30 C +ATOM 4454 C CYS C 117 -4.211 87.080 -13.890 1.00 19.94 C +ATOM 4455 O CYS C 117 -4.315 87.478 -12.731 1.00 19.37 O +ATOM 4456 CB CYS C 117 -3.580 88.991 -15.402 1.00 23.86 C +ATOM 4457 SG CYS C 117 -1.917 88.345 -15.643 1.00 32.75 S +ATOM 4458 N PHE C 118 -3.730 85.877 -14.189 1.00 17.95 N +ATOM 4459 CA PHE C 118 -3.249 84.981 -13.139 1.00 17.20 C +ATOM 4460 C PHE C 118 -1.903 85.503 -12.634 1.00 17.11 C +ATOM 4461 O PHE C 118 -1.064 85.941 -13.428 1.00 16.92 O +ATOM 4462 CB PHE C 118 -3.061 83.563 -13.686 1.00 16.09 C +ATOM 4463 CG PHE C 118 -4.344 82.838 -13.976 1.00 16.07 C +ATOM 4464 CD1 PHE C 118 -5.344 82.739 -13.010 1.00 16.17 C +ATOM 4465 CD2 PHE C 118 -4.527 82.195 -15.196 1.00 14.84 C +ATOM 4466 CE1 PHE C 118 -6.505 82.005 -13.254 1.00 15.13 C +ATOM 4467 CE2 PHE C 118 -5.687 81.457 -15.447 1.00 16.17 C +ATOM 4468 CZ PHE C 118 -6.676 81.362 -14.473 1.00 16.73 C +ATOM 4469 N ILE C 119 -1.701 85.461 -11.318 1.00 16.37 N +ATOM 4470 CA ILE C 119 -0.449 85.920 -10.720 1.00 16.62 C +ATOM 4471 C ILE C 119 0.218 84.768 -9.973 1.00 16.70 C +ATOM 4472 O ILE C 119 -0.381 84.177 -9.079 1.00 17.94 O +ATOM 4473 CB ILE C 119 -0.692 87.088 -9.731 1.00 16.49 C +ATOM 4474 CG1 ILE C 119 -1.397 88.243 -10.449 1.00 17.33 C +ATOM 4475 CG2 ILE C 119 0.637 87.590 -9.177 1.00 15.46 C +ATOM 4476 CD1 ILE C 119 -0.567 88.883 -11.556 1.00 18.73 C +ATOM 4477 N TYR C 120 1.454 84.450 -10.348 1.00 16.30 N +ATOM 4478 CA TYR C 120 2.199 83.359 -9.715 1.00 16.71 C +ATOM 4479 C TYR C 120 3.386 83.875 -8.905 1.00 17.05 C +ATOM 4480 O TYR C 120 4.192 84.665 -9.403 1.00 15.91 O +ATOM 4481 CB TYR C 120 2.731 82.389 -10.774 1.00 15.48 C +ATOM 4482 CG TYR C 120 1.683 81.693 -11.624 1.00 16.45 C +ATOM 4483 CD1 TYR C 120 0.347 81.621 -11.220 1.00 16.33 C +ATOM 4484 CD2 TYR C 120 2.040 81.094 -12.835 1.00 16.35 C +ATOM 4485 CE1 TYR C 120 -0.610 80.970 -12.008 1.00 16.15 C +ATOM 4486 CE2 TYR C 120 1.097 80.443 -13.629 1.00 16.53 C +ATOM 4487 CZ TYR C 120 -0.224 80.384 -13.210 1.00 18.84 C +ATOM 4488 OH TYR C 120 -1.142 79.732 -14.004 1.00 19.41 O +ATOM 4489 N LYS C 121 3.489 83.417 -7.661 1.00 16.44 N +ATOM 4490 CA LYS C 121 4.586 83.791 -6.769 1.00 17.68 C +ATOM 4491 C LYS C 121 5.276 82.491 -6.355 1.00 17.29 C +ATOM 4492 O LYS C 121 4.656 81.632 -5.726 1.00 16.00 O +ATOM 4493 CB LYS C 121 4.049 84.517 -5.531 1.00 21.17 C +ATOM 4494 CG LYS C 121 3.471 85.908 -5.818 1.00 25.83 C +ATOM 4495 CD LYS C 121 1.959 85.989 -5.558 1.00 28.26 C +ATOM 4496 CE LYS C 121 1.155 85.158 -6.561 1.00 29.79 C +ATOM 4497 NZ LYS C 121 -0.319 85.179 -6.293 1.00 23.28 N +ATOM 4498 N VAL C 122 6.549 82.344 -6.712 1.00 15.45 N +ATOM 4499 CA VAL C 122 7.295 81.121 -6.400 1.00 15.29 C +ATOM 4500 C VAL C 122 8.555 81.317 -5.546 1.00 16.33 C +ATOM 4501 O VAL C 122 9.301 82.270 -5.742 1.00 16.25 O +ATOM 4502 CB VAL C 122 7.746 80.411 -7.704 1.00 15.83 C +ATOM 4503 CG1 VAL C 122 8.091 78.953 -7.411 1.00 15.86 C +ATOM 4504 CG2 VAL C 122 6.670 80.524 -8.771 1.00 15.79 C +ATOM 4505 N LYS C 123 8.777 80.403 -4.599 1.00 16.82 N +ATOM 4506 CA LYS C 123 9.969 80.408 -3.742 1.00 16.89 C +ATOM 4507 C LYS C 123 10.572 79.017 -3.957 1.00 16.41 C +ATOM 4508 O LYS C 123 9.885 78.004 -3.817 1.00 15.49 O +ATOM 4509 CB LYS C 123 9.599 80.634 -2.275 1.00 18.75 C +ATOM 4510 CG LYS C 123 8.858 81.946 -2.038 1.00 22.30 C +ATOM 4511 CD LYS C 123 8.638 82.215 -0.557 1.00 25.54 C +ATOM 4512 CE LYS C 123 9.753 83.062 0.021 1.00 27.23 C +ATOM 4513 NZ LYS C 123 9.645 84.473 -0.440 1.00 25.37 N +ATOM 4514 N PHE C 124 11.856 78.985 -4.293 1.00 15.70 N +ATOM 4515 CA PHE C 124 12.556 77.749 -4.645 1.00 15.02 C +ATOM 4516 C PHE C 124 13.873 77.572 -3.884 1.00 13.93 C +ATOM 4517 O PHE C 124 14.664 78.506 -3.789 1.00 13.61 O +ATOM 4518 CB PHE C 124 12.814 77.827 -6.162 1.00 14.43 C +ATOM 4519 CG PHE C 124 13.441 76.602 -6.785 1.00 13.93 C +ATOM 4520 CD1 PHE C 124 14.814 76.389 -6.717 1.00 12.72 C +ATOM 4521 CD2 PHE C 124 12.669 75.736 -7.556 1.00 12.82 C +ATOM 4522 CE1 PHE C 124 15.414 75.331 -7.418 1.00 13.31 C +ATOM 4523 CE2 PHE C 124 13.258 74.678 -8.264 1.00 12.86 C +ATOM 4524 CZ PHE C 124 14.632 74.479 -8.194 1.00 11.52 C +ATOM 4525 N ILE C 125 14.095 76.378 -3.336 1.00 12.32 N +ATOM 4526 CA ILE C 125 15.336 76.069 -2.631 1.00 13.23 C +ATOM 4527 C ILE C 125 15.822 74.703 -3.085 1.00 13.46 C +ATOM 4528 O ILE C 125 15.172 73.688 -2.833 1.00 12.79 O +ATOM 4529 CB ILE C 125 15.167 76.048 -1.084 1.00 15.12 C +ATOM 4530 CG1 ILE C 125 14.891 77.462 -0.570 1.00 16.85 C +ATOM 4531 CG2 ILE C 125 16.442 75.513 -0.422 1.00 15.09 C +ATOM 4532 CD1 ILE C 125 14.685 77.547 0.933 1.00 16.85 C +ATOM 4533 N GLY C 126 16.959 74.693 -3.778 1.00 12.78 N +ATOM 4534 CA GLY C 126 17.539 73.453 -4.259 1.00 12.09 C +ATOM 4535 C GLY C 126 18.858 73.214 -3.550 1.00 12.09 C +ATOM 4536 O GLY C 126 19.710 74.105 -3.490 1.00 11.32 O +ATOM 4537 N VAL C 127 19.035 72.019 -3.001 1.00 11.34 N +ATOM 4538 CA VAL C 127 20.267 71.718 -2.283 1.00 11.15 C +ATOM 4539 C VAL C 127 20.810 70.327 -2.571 1.00 11.94 C +ATOM 4540 O VAL C 127 20.128 69.478 -3.141 1.00 13.51 O +ATOM 4541 CB VAL C 127 20.060 71.827 -0.749 1.00 11.20 C +ATOM 4542 CG1 VAL C 127 19.415 73.158 -0.406 1.00 12.55 C +ATOM 4543 CG2 VAL C 127 19.200 70.651 -0.240 1.00 10.73 C +ATOM 4544 N ASN C 128 22.059 70.117 -2.168 1.00 12.94 N +ATOM 4545 CA ASN C 128 22.743 68.840 -2.310 1.00 12.66 C +ATOM 4546 C ASN C 128 23.011 68.331 -3.724 1.00 14.01 C +ATOM 4547 O ASN C 128 23.027 67.120 -3.948 1.00 12.93 O +ATOM 4548 CB ASN C 128 21.987 67.770 -1.520 1.00 13.68 C +ATOM 4549 CG ASN C 128 22.910 66.737 -0.923 1.00 13.11 C +ATOM 4550 OD1 ASN C 128 24.135 66.881 -0.967 1.00 12.95 O +ATOM 4551 ND2 ASN C 128 22.331 65.691 -0.342 1.00 13.24 N +ATOM 4552 N PHE C 129 23.230 69.234 -4.678 1.00 13.22 N +ATOM 4553 CA PHE C 129 23.533 68.785 -6.037 1.00 15.75 C +ATOM 4554 C PHE C 129 25.043 68.599 -6.175 1.00 16.43 C +ATOM 4555 O PHE C 129 25.810 69.519 -5.905 1.00 16.67 O +ATOM 4556 CB PHE C 129 23.057 69.794 -7.088 1.00 13.50 C +ATOM 4557 CG PHE C 129 21.567 69.858 -7.240 1.00 14.66 C +ATOM 4558 CD1 PHE C 129 20.901 68.970 -8.082 1.00 14.20 C +ATOM 4559 CD2 PHE C 129 20.822 70.792 -6.527 1.00 15.05 C +ATOM 4560 CE1 PHE C 129 19.510 69.012 -8.209 1.00 15.76 C +ATOM 4561 CE2 PHE C 129 19.431 70.842 -6.651 1.00 15.67 C +ATOM 4562 CZ PHE C 129 18.777 69.951 -7.491 1.00 16.64 C +ATOM 4563 N PRO C 130 25.489 67.399 -6.584 1.00 18.45 N +ATOM 4564 CA PRO C 130 26.927 67.147 -6.746 1.00 18.24 C +ATOM 4565 C PRO C 130 27.527 68.184 -7.697 1.00 18.64 C +ATOM 4566 O PRO C 130 26.928 68.495 -8.724 1.00 15.81 O +ATOM 4567 CB PRO C 130 26.960 65.738 -7.332 1.00 18.29 C +ATOM 4568 CG PRO C 130 25.738 65.102 -6.731 1.00 18.17 C +ATOM 4569 CD PRO C 130 24.707 66.188 -6.891 1.00 17.20 C +ATOM 4570 N SER C 131 28.705 68.710 -7.368 1.00 19.09 N +ATOM 4571 CA SER C 131 29.331 69.728 -8.209 1.00 21.12 C +ATOM 4572 C SER C 131 29.615 69.251 -9.629 1.00 21.06 C +ATOM 4573 O SER C 131 29.633 70.050 -10.563 1.00 19.08 O +ATOM 4574 CB SER C 131 30.637 70.226 -7.581 1.00 23.49 C +ATOM 4575 OG SER C 131 31.698 69.321 -7.830 1.00 23.50 O +ATOM 4576 N ASP C 132 29.841 67.953 -9.789 1.00 21.74 N +ATOM 4577 CA ASP C 132 30.130 67.391 -11.103 1.00 23.79 C +ATOM 4578 C ASP C 132 28.937 66.643 -11.681 1.00 23.04 C +ATOM 4579 O ASP C 132 29.079 65.866 -12.625 1.00 20.97 O +ATOM 4580 CB ASP C 132 31.331 66.448 -11.016 1.00 27.31 C +ATOM 4581 CG ASP C 132 31.135 65.352 -9.988 1.00 30.97 C +ATOM 4582 OD1 ASP C 132 30.048 65.297 -9.371 1.00 32.11 O +ATOM 4583 OD2 ASP C 132 32.071 64.544 -9.796 1.00 34.00 O +ATOM 4584 N GLY C 133 27.759 66.883 -11.114 1.00 21.84 N +ATOM 4585 CA GLY C 133 26.562 66.222 -11.599 1.00 20.12 C +ATOM 4586 C GLY C 133 25.952 66.916 -12.803 1.00 18.91 C +ATOM 4587 O GLY C 133 26.397 67.998 -13.185 1.00 19.09 O +ATOM 4588 N PRO C 134 24.919 66.319 -13.420 1.00 18.65 N +ATOM 4589 CA PRO C 134 24.234 66.873 -14.596 1.00 16.32 C +ATOM 4590 C PRO C 134 23.692 68.289 -14.397 1.00 16.15 C +ATOM 4591 O PRO C 134 23.743 69.118 -15.304 1.00 15.87 O +ATOM 4592 CB PRO C 134 23.101 65.875 -14.838 1.00 18.28 C +ATOM 4593 CG PRO C 134 23.630 64.602 -14.282 1.00 19.77 C +ATOM 4594 CD PRO C 134 24.305 65.043 -13.014 1.00 17.07 C +ATOM 4595 N VAL C 135 23.159 68.558 -13.213 1.00 14.83 N +ATOM 4596 CA VAL C 135 22.597 69.872 -12.913 1.00 14.82 C +ATOM 4597 C VAL C 135 23.641 70.987 -12.866 1.00 16.95 C +ATOM 4598 O VAL C 135 23.512 71.987 -13.569 1.00 15.86 O +ATOM 4599 CB VAL C 135 21.813 69.842 -11.575 1.00 15.18 C +ATOM 4600 CG1 VAL C 135 21.421 71.254 -11.155 1.00 13.68 C +ATOM 4601 CG2 VAL C 135 20.560 68.984 -11.735 1.00 9.60 C +ATOM 4602 N MET C 136 24.677 70.822 -12.047 1.00 17.84 N +ATOM 4603 CA MET C 136 25.710 71.851 -11.941 1.00 19.54 C +ATOM 4604 C MET C 136 26.627 71.884 -13.163 1.00 19.76 C +ATOM 4605 O MET C 136 27.348 72.861 -13.374 1.00 20.04 O +ATOM 4606 CB MET C 136 26.548 71.658 -10.670 1.00 18.47 C +ATOM 4607 CG MET C 136 25.763 71.734 -9.367 1.00 18.75 C +ATOM 4608 SD MET C 136 24.741 73.218 -9.200 1.00 22.28 S +ATOM 4609 CE MET C 136 25.975 74.445 -8.805 1.00 22.77 C +ATOM 4610 N GLN C 137 26.608 70.824 -13.967 1.00 19.61 N +ATOM 4611 CA GLN C 137 27.438 70.793 -15.168 1.00 21.67 C +ATOM 4612 C GLN C 137 26.631 71.114 -16.424 1.00 20.21 C +ATOM 4613 O GLN C 137 27.162 71.091 -17.532 1.00 20.49 O +ATOM 4614 CB GLN C 137 28.121 69.430 -15.326 1.00 23.56 C +ATOM 4615 CG GLN C 137 29.263 69.197 -14.343 1.00 28.93 C +ATOM 4616 CD GLN C 137 30.343 70.258 -14.444 1.00 31.94 C +ATOM 4617 OE1 GLN C 137 30.961 70.438 -15.498 1.00 32.48 O +ATOM 4618 NE2 GLN C 137 30.575 70.971 -13.347 1.00 33.28 N +ATOM 4619 N LYS C 138 25.345 71.406 -16.247 1.00 20.93 N +ATOM 4620 CA LYS C 138 24.472 71.742 -17.365 1.00 20.39 C +ATOM 4621 C LYS C 138 24.571 70.720 -18.493 1.00 20.40 C +ATOM 4622 O LYS C 138 24.846 71.074 -19.642 1.00 20.88 O +ATOM 4623 CB LYS C 138 24.829 73.127 -17.909 1.00 22.54 C +ATOM 4624 CG LYS C 138 24.749 74.242 -16.885 1.00 25.64 C +ATOM 4625 CD LYS C 138 25.110 75.578 -17.517 1.00 30.30 C +ATOM 4626 CE LYS C 138 25.191 76.677 -16.475 1.00 32.00 C +ATOM 4627 NZ LYS C 138 26.241 76.385 -15.458 1.00 37.17 N +ATOM 4628 N LYS C 139 24.339 69.454 -18.166 1.00 18.10 N +ATOM 4629 CA LYS C 139 24.410 68.394 -19.163 1.00 18.01 C +ATOM 4630 C LYS C 139 23.030 67.847 -19.512 1.00 17.13 C +ATOM 4631 O LYS C 139 22.919 66.799 -20.148 1.00 15.77 O +ATOM 4632 CB LYS C 139 25.297 67.254 -18.652 1.00 20.94 C +ATOM 4633 CG LYS C 139 26.732 67.665 -18.359 1.00 23.20 C +ATOM 4634 CD LYS C 139 27.398 68.227 -19.606 1.00 28.45 C +ATOM 4635 CE LYS C 139 28.822 68.688 -19.326 1.00 31.01 C +ATOM 4636 NZ LYS C 139 29.433 69.330 -20.525 1.00 32.33 N +ATOM 4637 N THR C 140 21.980 68.553 -19.101 1.00 16.61 N +ATOM 4638 CA THR C 140 20.617 68.101 -19.379 1.00 17.25 C +ATOM 4639 C THR C 140 20.084 68.667 -20.690 1.00 18.29 C +ATOM 4640 O THR C 140 20.515 69.733 -21.137 1.00 19.83 O +ATOM 4641 CB THR C 140 19.657 68.476 -18.227 1.00 17.31 C +ATOM 4642 OG1 THR C 140 19.531 69.902 -18.133 1.00 16.35 O +ATOM 4643 CG2 THR C 140 20.193 67.933 -16.908 1.00 17.71 C +ATOM 4644 N MET C 141 19.146 67.946 -21.301 1.00 17.51 N +ATOM 4645 CA MET C 141 18.562 68.357 -22.572 1.00 19.93 C +ATOM 4646 C MET C 141 17.038 68.286 -22.614 1.00 18.19 C +ATOM 4647 O MET C 141 16.465 67.760 -23.571 1.00 17.71 O +ATOM 4648 CB MET C 141 19.110 67.492 -23.709 1.00 22.79 C +ATOM 4649 CG MET C 141 20.594 67.609 -23.957 1.00 28.58 C +ATOM 4650 SD MET C 141 21.038 66.581 -25.376 1.00 34.50 S +ATOM 4651 CE MET C 141 20.389 67.572 -26.727 1.00 33.88 C +ATOM 4652 N GLY C 142 16.383 68.817 -21.590 1.00 16.39 N +ATOM 4653 CA GLY C 142 14.931 68.808 -21.567 1.00 15.43 C +ATOM 4654 C GLY C 142 14.313 67.576 -20.935 1.00 17.03 C +ATOM 4655 O GLY C 142 14.960 66.533 -20.803 1.00 15.70 O +ATOM 4656 N TRP C 143 13.045 67.702 -20.558 1.00 14.30 N +ATOM 4657 CA TRP C 143 12.302 66.618 -19.935 1.00 14.47 C +ATOM 4658 C TRP C 143 11.592 65.728 -20.947 1.00 13.88 C +ATOM 4659 O TRP C 143 11.255 66.161 -22.050 1.00 12.34 O +ATOM 4660 CB TRP C 143 11.224 67.173 -18.995 1.00 14.26 C +ATOM 4661 CG TRP C 143 11.713 67.998 -17.852 1.00 13.18 C +ATOM 4662 CD1 TRP C 143 11.811 69.360 -17.803 1.00 13.61 C +ATOM 4663 CD2 TRP C 143 12.129 67.517 -16.569 1.00 12.34 C +ATOM 4664 NE1 TRP C 143 12.259 69.759 -16.562 1.00 14.14 N +ATOM 4665 CE2 TRP C 143 12.464 68.647 -15.786 1.00 14.69 C +ATOM 4666 CE3 TRP C 143 12.253 66.240 -16.003 1.00 12.21 C +ATOM 4667 CZ2 TRP C 143 12.915 68.537 -14.464 1.00 13.27 C +ATOM 4668 CZ3 TRP C 143 12.702 66.129 -14.686 1.00 10.63 C +ATOM 4669 CH2 TRP C 143 13.027 67.274 -13.933 1.00 11.71 C +ATOM 4670 N GLU C 144 11.368 64.477 -20.563 1.00 13.33 N +ATOM 4671 CA GLU C 144 10.619 63.546 -21.397 1.00 12.53 C +ATOM 4672 C GLU C 144 9.177 63.910 -21.066 1.00 12.24 C +ATOM 4673 O GLU C 144 8.930 64.544 -20.042 1.00 13.47 O +ATOM 4674 CB GLU C 144 10.877 62.094 -20.967 1.00 13.86 C +ATOM 4675 CG GLU C 144 12.270 61.583 -21.259 1.00 16.27 C +ATOM 4676 CD GLU C 144 12.465 61.260 -22.731 1.00 18.47 C +ATOM 4677 OE1 GLU C 144 11.645 61.715 -23.550 1.00 18.37 O +ATOM 4678 OE2 GLU C 144 13.441 60.564 -23.067 1.00 18.48 O +ATOM 4679 N ALA C 145 8.225 63.541 -21.916 1.00 12.88 N +ATOM 4680 CA ALA C 145 6.823 63.822 -21.608 1.00 13.05 C +ATOM 4681 C ALA C 145 6.556 63.002 -20.341 1.00 12.03 C +ATOM 4682 O ALA C 145 7.190 61.960 -20.145 1.00 12.55 O +ATOM 4683 CB ALA C 145 5.928 63.360 -22.748 1.00 14.37 C +ATOM 4684 N SER C 146 5.634 63.448 -19.489 1.00 11.92 N +ATOM 4685 CA SER C 146 5.377 62.735 -18.238 1.00 11.07 C +ATOM 4686 C SER C 146 3.925 62.398 -17.909 1.00 10.92 C +ATOM 4687 O SER C 146 2.995 62.874 -18.553 1.00 11.43 O +ATOM 4688 CB SER C 146 5.947 63.538 -17.069 1.00 11.83 C +ATOM 4689 OG SER C 146 5.158 64.688 -16.831 1.00 12.69 O +ATOM 4690 N THR C 147 3.750 61.578 -16.876 1.00 12.15 N +ATOM 4691 CA THR C 147 2.422 61.170 -16.425 1.00 11.78 C +ATOM 4692 C THR C 147 2.322 61.213 -14.900 1.00 12.41 C +ATOM 4693 O THR C 147 2.987 60.455 -14.196 1.00 10.35 O +ATOM 4694 CB THR C 147 2.083 59.757 -16.943 1.00 13.53 C +ATOM 4695 OG1 THR C 147 2.041 59.786 -18.376 1.00 13.89 O +ATOM 4696 CG2 THR C 147 0.726 59.292 -16.415 1.00 14.53 C +ATOM 4697 N GLU C 148 1.477 62.113 -14.402 1.00 12.00 N +ATOM 4698 CA GLU C 148 1.274 62.296 -12.970 1.00 12.92 C +ATOM 4699 C GLU C 148 0.098 61.485 -12.433 1.00 13.81 C +ATOM 4700 O GLU C 148 -0.943 61.379 -13.082 1.00 13.65 O +ATOM 4701 CB GLU C 148 1.049 63.782 -12.681 1.00 11.94 C +ATOM 4702 CG GLU C 148 0.664 64.114 -11.249 1.00 12.41 C +ATOM 4703 CD GLU C 148 0.472 65.613 -11.048 1.00 15.07 C +ATOM 4704 OE1 GLU C 148 -0.090 66.258 -11.958 1.00 13.93 O +ATOM 4705 OE2 GLU C 148 0.868 66.143 -9.989 1.00 12.50 O +ATOM 4706 N ARG C 149 0.280 60.918 -11.242 1.00 12.03 N +ATOM 4707 CA ARG C 149 -0.749 60.113 -10.581 1.00 12.35 C +ATOM 4708 C ARG C 149 -1.306 60.969 -9.445 1.00 11.75 C +ATOM 4709 O ARG C 149 -0.578 61.310 -8.515 1.00 13.50 O +ATOM 4710 CB ARG C 149 -0.113 58.815 -10.043 1.00 12.03 C +ATOM 4711 CG ARG C 149 -1.040 57.853 -9.300 1.00 10.21 C +ATOM 4712 CD ARG C 149 -1.446 58.364 -7.922 1.00 9.81 C +ATOM 4713 NE ARG C 149 -0.322 58.550 -7.002 1.00 12.60 N +ATOM 4714 CZ ARG C 149 0.209 57.590 -6.249 1.00 10.22 C +ATOM 4715 NH1 ARG C 149 -0.271 56.352 -6.300 1.00 12.66 N +ATOM 4716 NH2 ARG C 149 1.208 57.873 -5.418 1.00 8.18 N +ATOM 4717 N LEU C 150 -2.589 61.320 -9.522 1.00 11.13 N +ATOM 4718 CA LEU C 150 -3.201 62.171 -8.502 1.00 12.09 C +ATOM 4719 C LEU C 150 -4.291 61.497 -7.683 1.00 13.44 C +ATOM 4720 O LEU C 150 -4.893 60.517 -8.111 1.00 15.47 O +ATOM 4721 CB LEU C 150 -3.775 63.443 -9.137 1.00 11.59 C +ATOM 4722 CG LEU C 150 -2.798 64.334 -9.901 1.00 13.40 C +ATOM 4723 CD1 LEU C 150 -2.709 63.861 -11.342 1.00 13.51 C +ATOM 4724 CD2 LEU C 150 -3.273 65.781 -9.851 1.00 16.08 C +ATOM 4725 N TYR C 151 -4.549 62.046 -6.501 1.00 12.63 N +ATOM 4726 CA TYR C 151 -5.554 61.497 -5.601 1.00 14.69 C +ATOM 4727 C TYR C 151 -5.846 62.491 -4.486 1.00 15.03 C +ATOM 4728 O TYR C 151 -4.993 63.296 -4.122 1.00 14.67 O +ATOM 4729 CB TYR C 151 -5.038 60.194 -4.979 1.00 14.25 C +ATOM 4730 CG TYR C 151 -3.720 60.391 -4.263 1.00 13.12 C +ATOM 4731 CD1 TYR C 151 -3.679 60.833 -2.936 1.00 15.08 C +ATOM 4732 CD2 TYR C 151 -2.512 60.254 -4.949 1.00 14.50 C +ATOM 4733 CE1 TYR C 151 -2.465 61.144 -2.315 1.00 13.68 C +ATOM 4734 CE2 TYR C 151 -1.296 60.566 -4.339 1.00 11.92 C +ATOM 4735 CZ TYR C 151 -1.281 61.014 -3.029 1.00 14.33 C +ATOM 4736 OH TYR C 151 -0.088 61.377 -2.448 1.00 11.02 O +ATOM 4737 N PRO C 152 -7.061 62.440 -3.925 1.00 15.92 N +ATOM 4738 CA PRO C 152 -7.436 63.347 -2.841 1.00 16.30 C +ATOM 4739 C PRO C 152 -6.872 62.866 -1.507 1.00 16.75 C +ATOM 4740 O PRO C 152 -6.781 61.662 -1.256 1.00 16.11 O +ATOM 4741 CB PRO C 152 -8.961 63.295 -2.870 1.00 17.44 C +ATOM 4742 CG PRO C 152 -9.222 61.867 -3.239 1.00 14.58 C +ATOM 4743 CD PRO C 152 -8.219 61.639 -4.364 1.00 16.22 C +ATOM 4744 N ARG C 153 -6.479 63.808 -0.661 1.00 15.98 N +ATOM 4745 CA ARG C 153 -5.961 63.463 0.652 1.00 17.33 C +ATOM 4746 C ARG C 153 -5.801 64.666 1.564 1.00 17.09 C +ATOM 4747 O ARG C 153 -5.325 65.721 1.147 1.00 14.58 O +ATOM 4748 CB ARG C 153 -4.611 62.751 0.552 1.00 17.27 C +ATOM 4749 CG ARG C 153 -3.970 62.579 1.924 1.00 19.96 C +ATOM 4750 CD ARG C 153 -2.694 61.773 1.904 1.00 17.75 C +ATOM 4751 NE ARG C 153 -2.927 60.350 1.666 1.00 18.08 N +ATOM 4752 CZ ARG C 153 -2.011 59.409 1.875 1.00 17.01 C +ATOM 4753 NH1 ARG C 153 -0.815 59.751 2.329 1.00 12.70 N +ATOM 4754 NH2 ARG C 153 -2.283 58.133 1.627 1.00 13.11 N +ATOM 4755 N ASP C 154 -6.205 64.500 2.817 1.00 18.83 N +ATOM 4756 CA ASP C 154 -6.054 65.567 3.791 1.00 19.24 C +ATOM 4757 C ASP C 154 -6.824 66.813 3.360 1.00 19.41 C +ATOM 4758 O ASP C 154 -6.457 67.939 3.700 1.00 19.81 O +ATOM 4759 CB ASP C 154 -4.560 65.875 3.957 1.00 21.67 C +ATOM 4760 CG ASP C 154 -4.238 66.502 5.291 1.00 25.76 C +ATOM 4761 OD1 ASP C 154 -4.851 66.080 6.295 1.00 27.77 O +ATOM 4762 OD2 ASP C 154 -3.368 67.399 5.341 1.00 25.76 O +ATOM 4763 N GLY C 155 -7.895 66.600 2.601 1.00 17.78 N +ATOM 4764 CA GLY C 155 -8.716 67.706 2.148 1.00 17.12 C +ATOM 4765 C GLY C 155 -8.202 68.473 0.942 1.00 17.12 C +ATOM 4766 O GLY C 155 -8.827 69.456 0.538 1.00 18.57 O +ATOM 4767 N VAL C 156 -7.078 68.039 0.373 1.00 13.98 N +ATOM 4768 CA VAL C 156 -6.491 68.695 -0.797 1.00 14.07 C +ATOM 4769 C VAL C 156 -6.140 67.671 -1.877 1.00 14.55 C +ATOM 4770 O VAL C 156 -6.408 66.477 -1.721 1.00 14.21 O +ATOM 4771 CB VAL C 156 -5.209 69.476 -0.426 1.00 14.19 C +ATOM 4772 CG1 VAL C 156 -5.542 70.578 0.565 1.00 14.60 C +ATOM 4773 CG2 VAL C 156 -4.168 68.531 0.166 1.00 12.66 C +ATOM 4774 N LEU C 157 -5.538 68.143 -2.964 1.00 13.08 N +ATOM 4775 CA LEU C 157 -5.156 67.274 -4.071 1.00 12.80 C +ATOM 4776 C LEU C 157 -3.654 67.003 -4.091 1.00 14.46 C +ATOM 4777 O LEU C 157 -2.849 67.928 -3.974 1.00 13.21 O +ATOM 4778 CB LEU C 157 -5.568 67.915 -5.395 1.00 13.53 C +ATOM 4779 CG LEU C 157 -5.314 67.104 -6.669 1.00 14.15 C +ATOM 4780 CD1 LEU C 157 -6.128 65.828 -6.641 1.00 13.76 C +ATOM 4781 CD2 LEU C 157 -5.677 67.952 -7.886 1.00 14.68 C +ATOM 4782 N LYS C 158 -3.273 65.735 -4.246 1.00 13.33 N +ATOM 4783 CA LYS C 158 -1.856 65.386 -4.282 1.00 12.94 C +ATOM 4784 C LYS C 158 -1.506 64.616 -5.555 1.00 12.82 C +ATOM 4785 O LYS C 158 -2.384 64.055 -6.214 1.00 9.83 O +ATOM 4786 CB LYS C 158 -1.479 64.572 -3.036 1.00 14.24 C +ATOM 4787 CG LYS C 158 -1.781 65.316 -1.732 1.00 15.99 C +ATOM 4788 CD LYS C 158 -1.320 64.569 -0.484 1.00 18.57 C +ATOM 4789 CE LYS C 158 0.180 64.670 -0.281 1.00 22.52 C +ATOM 4790 NZ LYS C 158 0.612 63.966 0.965 1.00 25.31 N +ATOM 4791 N GLY C 159 -0.224 64.610 -5.903 1.00 12.51 N +ATOM 4792 CA GLY C 159 0.211 63.908 -7.098 1.00 10.90 C +ATOM 4793 C GLY C 159 1.700 63.615 -7.109 1.00 12.69 C +ATOM 4794 O GLY C 159 2.493 64.367 -6.545 1.00 13.04 O +ATOM 4795 N GLU C 160 2.085 62.509 -7.739 1.00 12.94 N +ATOM 4796 CA GLU C 160 3.495 62.141 -7.842 1.00 14.28 C +ATOM 4797 C GLU C 160 3.833 61.840 -9.300 1.00 14.73 C +ATOM 4798 O GLU C 160 2.980 61.379 -10.064 1.00 12.56 O +ATOM 4799 CB GLU C 160 3.810 60.906 -6.993 1.00 17.21 C +ATOM 4800 CG GLU C 160 3.653 61.088 -5.490 1.00 18.04 C +ATOM 4801 CD GLU C 160 2.206 61.098 -5.046 1.00 18.39 C +ATOM 4802 OE1 GLU C 160 1.399 60.358 -5.644 1.00 22.60 O +ATOM 4803 OE2 GLU C 160 1.872 61.827 -4.092 1.00 19.51 O +ATOM 4804 N ILE C 161 5.077 62.105 -9.686 1.00 12.01 N +ATOM 4805 CA ILE C 161 5.510 61.855 -11.053 1.00 12.61 C +ATOM 4806 C ILE C 161 6.925 61.293 -11.084 1.00 13.34 C +ATOM 4807 O ILE C 161 7.788 61.723 -10.324 1.00 11.73 O +ATOM 4808 CB ILE C 161 5.548 63.157 -11.894 1.00 13.19 C +ATOM 4809 CG1 ILE C 161 4.385 64.071 -11.522 1.00 11.69 C +ATOM 4810 CG2 ILE C 161 5.480 62.810 -13.381 1.00 15.65 C +ATOM 4811 CD1 ILE C 161 4.470 65.458 -12.154 1.00 15.23 C +ATOM 4812 N HIS C 162 7.155 60.315 -11.953 1.00 12.78 N +ATOM 4813 CA HIS C 162 8.497 59.779 -12.127 1.00 12.34 C +ATOM 4814 C HIS C 162 8.927 60.457 -13.414 1.00 11.78 C +ATOM 4815 O HIS C 162 8.523 60.054 -14.507 1.00 9.71 O +ATOM 4816 CB HIS C 162 8.474 58.261 -12.302 1.00 12.14 C +ATOM 4817 CG HIS C 162 8.426 57.511 -11.009 1.00 11.95 C +ATOM 4818 ND1 HIS C 162 7.377 56.687 -10.662 1.00 11.90 N +ATOM 4819 CD2 HIS C 162 9.304 57.460 -9.977 1.00 11.92 C +ATOM 4820 CE1 HIS C 162 7.611 56.157 -9.474 1.00 9.99 C +ATOM 4821 NE2 HIS C 162 8.774 56.609 -9.036 1.00 10.15 N +ATOM 4822 N LYS C 163 9.721 61.511 -13.280 1.00 11.74 N +ATOM 4823 CA LYS C 163 10.170 62.262 -14.443 1.00 12.95 C +ATOM 4824 C LYS C 163 11.623 62.008 -14.797 1.00 13.24 C +ATOM 4825 O LYS C 163 12.370 61.390 -14.036 1.00 12.85 O +ATOM 4826 CB LYS C 163 9.922 63.761 -14.222 1.00 13.04 C +ATOM 4827 CG LYS C 163 8.434 64.131 -14.283 1.00 12.37 C +ATOM 4828 CD LYS C 163 8.169 65.611 -14.022 1.00 14.37 C +ATOM 4829 CE LYS C 163 8.990 66.520 -14.936 1.00 12.96 C +ATOM 4830 NZ LYS C 163 8.726 66.268 -16.381 1.00 15.30 N +ATOM 4831 N ALA C 164 12.020 62.483 -15.969 1.00 12.56 N +ATOM 4832 CA ALA C 164 13.382 62.276 -16.416 1.00 12.99 C +ATOM 4833 C ALA C 164 13.871 63.368 -17.339 1.00 12.37 C +ATOM 4834 O ALA C 164 13.135 63.841 -18.201 1.00 11.89 O +ATOM 4835 CB ALA C 164 13.490 60.929 -17.119 1.00 9.72 C +ATOM 4836 N LEU C 165 15.128 63.754 -17.141 1.00 13.67 N +ATOM 4837 CA LEU C 165 15.785 64.756 -17.958 1.00 14.99 C +ATOM 4838 C LEU C 165 16.709 64.005 -18.904 1.00 15.57 C +ATOM 4839 O LEU C 165 17.393 63.066 -18.499 1.00 13.77 O +ATOM 4840 CB LEU C 165 16.605 65.704 -17.080 1.00 14.92 C +ATOM 4841 CG LEU C 165 15.813 66.835 -16.420 1.00 15.67 C +ATOM 4842 CD1 LEU C 165 16.668 67.541 -15.377 1.00 16.38 C +ATOM 4843 CD2 LEU C 165 15.357 67.818 -17.492 1.00 15.41 C +ATOM 4844 N LYS C 166 16.709 64.392 -20.170 1.00 16.66 N +ATOM 4845 CA LYS C 166 17.578 63.744 -21.136 1.00 17.88 C +ATOM 4846 C LYS C 166 18.997 64.289 -20.969 1.00 19.13 C +ATOM 4847 O LYS C 166 19.193 65.496 -20.812 1.00 18.30 O +ATOM 4848 CB LYS C 166 17.043 63.985 -22.551 1.00 19.15 C +ATOM 4849 CG LYS C 166 15.768 63.186 -22.840 1.00 19.38 C +ATOM 4850 CD LYS C 166 15.147 63.531 -24.186 1.00 21.68 C +ATOM 4851 CE LYS C 166 14.416 64.862 -24.130 1.00 22.68 C +ATOM 4852 NZ LYS C 166 13.831 65.221 -25.453 1.00 25.84 N +ATOM 4853 N LEU C 167 19.980 63.393 -20.976 1.00 18.24 N +ATOM 4854 CA LEU C 167 21.377 63.781 -20.809 1.00 20.64 C +ATOM 4855 C LEU C 167 22.085 64.031 -22.134 1.00 22.18 C +ATOM 4856 O LEU C 167 21.826 63.356 -23.129 1.00 21.47 O +ATOM 4857 CB LEU C 167 22.140 62.706 -20.023 1.00 19.03 C +ATOM 4858 CG LEU C 167 21.792 62.556 -18.539 1.00 19.41 C +ATOM 4859 CD1 LEU C 167 22.513 61.352 -17.957 1.00 16.82 C +ATOM 4860 CD2 LEU C 167 22.175 63.826 -17.793 1.00 20.09 C +ATOM 4861 N LYS C 168 22.987 65.005 -22.134 1.00 23.97 N +ATOM 4862 CA LYS C 168 23.746 65.355 -23.327 1.00 28.11 C +ATOM 4863 C LYS C 168 24.595 64.180 -23.811 1.00 29.14 C +ATOM 4864 O LYS C 168 24.711 63.944 -25.014 1.00 30.82 O +ATOM 4865 CB LYS C 168 24.647 66.555 -23.028 1.00 29.45 C +ATOM 4866 CG LYS C 168 25.387 67.104 -24.234 1.00 33.14 C +ATOM 4867 CD LYS C 168 26.228 68.314 -23.849 1.00 36.14 C +ATOM 4868 CE LYS C 168 26.885 68.943 -25.071 1.00 39.17 C +ATOM 4869 NZ LYS C 168 27.629 70.187 -24.727 1.00 39.99 N +ATOM 4870 N ASP C 169 25.186 63.446 -22.873 1.00 30.27 N +ATOM 4871 CA ASP C 169 26.029 62.304 -23.214 1.00 31.14 C +ATOM 4872 C ASP C 169 25.231 61.005 -23.275 1.00 30.38 C +ATOM 4873 O ASP C 169 25.799 59.918 -23.178 1.00 31.96 O +ATOM 4874 CB ASP C 169 27.168 62.155 -22.195 1.00 34.37 C +ATOM 4875 CG ASP C 169 28.086 63.366 -22.158 1.00 36.66 C +ATOM 4876 OD1 ASP C 169 28.625 63.740 -23.221 1.00 38.15 O +ATOM 4877 OD2 ASP C 169 28.275 63.942 -21.063 1.00 38.63 O +ATOM 4878 N GLY C 170 23.917 61.123 -23.436 1.00 27.36 N +ATOM 4879 CA GLY C 170 23.071 59.946 -23.512 1.00 24.96 C +ATOM 4880 C GLY C 170 22.537 59.477 -22.170 1.00 22.72 C +ATOM 4881 O GLY C 170 23.145 59.720 -21.125 1.00 22.71 O +ATOM 4882 N GLY C 171 21.393 58.802 -22.198 1.00 19.04 N +ATOM 4883 CA GLY C 171 20.805 58.306 -20.968 1.00 18.78 C +ATOM 4884 C GLY C 171 19.842 59.287 -20.328 1.00 17.39 C +ATOM 4885 O GLY C 171 19.518 60.334 -20.900 1.00 14.31 O +ATOM 4886 N HIS C 172 19.382 58.943 -19.130 1.00 15.44 N +ATOM 4887 CA HIS C 172 18.443 59.780 -18.405 1.00 13.92 C +ATOM 4888 C HIS C 172 18.897 60.110 -16.990 1.00 15.03 C +ATOM 4889 O HIS C 172 19.696 59.390 -16.385 1.00 14.33 O +ATOM 4890 CB HIS C 172 17.061 59.108 -18.348 1.00 13.03 C +ATOM 4891 CG HIS C 172 16.335 59.099 -19.657 1.00 13.47 C +ATOM 4892 ND1 HIS C 172 16.426 58.058 -20.556 1.00 12.73 N +ATOM 4893 CD2 HIS C 172 15.519 60.018 -20.228 1.00 12.62 C +ATOM 4894 CE1 HIS C 172 15.697 58.336 -21.623 1.00 16.17 C +ATOM 4895 NE2 HIS C 172 15.137 59.519 -21.448 1.00 13.20 N +ATOM 4896 N TYR C 173 18.386 61.223 -16.480 1.00 13.09 N +ATOM 4897 CA TYR C 173 18.684 61.682 -15.129 1.00 14.26 C +ATOM 4898 C TYR C 173 17.302 61.709 -14.488 1.00 14.47 C +ATOM 4899 O TYR C 173 16.459 62.533 -14.839 1.00 13.10 O +ATOM 4900 CB TYR C 173 19.321 63.073 -15.186 1.00 13.71 C +ATOM 4901 CG TYR C 173 19.580 63.708 -13.843 1.00 15.92 C +ATOM 4902 CD1 TYR C 173 20.232 63.008 -12.824 1.00 13.85 C +ATOM 4903 CD2 TYR C 173 19.185 65.018 -13.593 1.00 13.12 C +ATOM 4904 CE1 TYR C 173 20.479 63.603 -11.594 1.00 13.86 C +ATOM 4905 CE2 TYR C 173 19.429 65.623 -12.364 1.00 14.86 C +ATOM 4906 CZ TYR C 173 20.074 64.910 -11.371 1.00 12.41 C +ATOM 4907 OH TYR C 173 20.308 65.507 -10.153 1.00 13.22 O +ATOM 4908 N LEU C 174 17.080 60.786 -13.557 1.00 12.71 N +ATOM 4909 CA LEU C 174 15.783 60.621 -12.914 1.00 12.08 C +ATOM 4910 C LEU C 174 15.462 61.542 -11.738 1.00 11.83 C +ATOM 4911 O LEU C 174 16.312 61.826 -10.891 1.00 10.90 O +ATOM 4912 CB LEU C 174 15.644 59.151 -12.503 1.00 10.67 C +ATOM 4913 CG LEU C 174 16.081 58.192 -13.627 1.00 10.88 C +ATOM 4914 CD1 LEU C 174 16.034 56.757 -13.136 1.00 9.85 C +ATOM 4915 CD2 LEU C 174 15.174 58.365 -14.841 1.00 10.61 C +ATOM 4916 N VAL C 175 14.212 61.997 -11.702 1.00 9.74 N +ATOM 4917 CA VAL C 175 13.731 62.904 -10.661 1.00 11.28 C +ATOM 4918 C VAL C 175 12.305 62.540 -10.271 1.00 10.56 C +ATOM 4919 O VAL C 175 11.444 62.436 -11.138 1.00 8.81 O +ATOM 4920 CB VAL C 175 13.679 64.369 -11.168 1.00 11.86 C +ATOM 4921 CG1 VAL C 175 13.420 65.314 -10.001 1.00 14.02 C +ATOM 4922 CG2 VAL C 175 14.958 64.727 -11.896 1.00 16.28 C +ATOM 4923 N GLU C 176 12.046 62.351 -8.980 1.00 10.91 N +ATOM 4924 CA GLU C 176 10.691 62.039 -8.539 1.00 10.72 C +ATOM 4925 C GLU C 176 10.019 63.331 -8.090 1.00 12.35 C +ATOM 4926 O GLU C 176 10.599 64.106 -7.320 1.00 12.90 O +ATOM 4927 CB GLU C 176 10.687 61.051 -7.365 1.00 11.43 C +ATOM 4928 CG GLU C 176 9.270 60.792 -6.843 1.00 13.42 C +ATOM 4929 CD GLU C 176 9.230 60.096 -5.486 1.00 17.16 C +ATOM 4930 OE1 GLU C 176 10.110 60.378 -4.646 1.00 17.71 O +ATOM 4931 OE2 GLU C 176 8.304 59.284 -5.252 1.00 15.93 O +ATOM 4932 N PHE C 177 8.800 63.558 -8.567 1.00 12.20 N +ATOM 4933 CA PHE C 177 8.040 64.760 -8.217 1.00 11.61 C +ATOM 4934 C PHE C 177 6.915 64.445 -7.235 1.00 11.40 C +ATOM 4935 O PHE C 177 6.180 63.487 -7.423 1.00 12.83 O +ATOM 4936 CB PHE C 177 7.393 65.381 -9.464 1.00 12.28 C +ATOM 4937 CG PHE C 177 8.279 66.327 -10.227 1.00 12.11 C +ATOM 4938 CD1 PHE C 177 9.593 65.987 -10.541 1.00 10.81 C +ATOM 4939 CD2 PHE C 177 7.777 67.545 -10.677 1.00 11.73 C +ATOM 4940 CE1 PHE C 177 10.394 66.846 -11.294 1.00 13.05 C +ATOM 4941 CE2 PHE C 177 8.574 68.418 -11.436 1.00 11.76 C +ATOM 4942 CZ PHE C 177 9.882 68.067 -11.745 1.00 10.56 C +ATOM 4943 N LYS C 178 6.784 65.254 -6.191 1.00 13.19 N +ATOM 4944 CA LYS C 178 5.709 65.084 -5.215 1.00 14.63 C +ATOM 4945 C LYS C 178 5.099 66.468 -5.055 1.00 14.22 C +ATOM 4946 O LYS C 178 5.765 67.385 -4.580 1.00 14.72 O +ATOM 4947 CB LYS C 178 6.251 64.595 -3.867 1.00 17.29 C +ATOM 4948 CG LYS C 178 6.720 63.147 -3.852 1.00 19.62 C +ATOM 4949 CD LYS C 178 7.311 62.795 -2.488 1.00 22.75 C +ATOM 4950 CE LYS C 178 7.692 61.331 -2.396 1.00 23.15 C +ATOM 4951 NZ LYS C 178 6.500 60.448 -2.342 1.00 27.44 N +ATOM 4952 N SER C 179 3.840 66.620 -5.457 1.00 13.16 N +ATOM 4953 CA SER C 179 3.180 67.917 -5.373 1.00 13.04 C +ATOM 4954 C SER C 179 1.947 67.912 -4.489 1.00 13.90 C +ATOM 4955 O SER C 179 1.319 66.876 -4.286 1.00 14.25 O +ATOM 4956 CB SER C 179 2.772 68.379 -6.774 1.00 13.53 C +ATOM 4957 OG SER C 179 3.859 68.277 -7.672 1.00 11.39 O +ATOM 4958 N ILE C 180 1.613 69.087 -3.964 1.00 14.25 N +ATOM 4959 CA ILE C 180 0.432 69.256 -3.127 1.00 14.15 C +ATOM 4960 C ILE C 180 -0.274 70.495 -3.656 1.00 15.59 C +ATOM 4961 O ILE C 180 0.316 71.574 -3.692 1.00 16.48 O +ATOM 4962 CB ILE C 180 0.785 69.505 -1.642 1.00 13.27 C +ATOM 4963 CG1 ILE C 180 1.776 68.450 -1.138 1.00 14.24 C +ATOM 4964 CG2 ILE C 180 -0.482 69.470 -0.798 1.00 15.53 C +ATOM 4965 CD1 ILE C 180 3.235 68.871 -1.272 1.00 12.53 C +ATOM 4966 N TYR C 181 -1.523 70.338 -4.079 1.00 15.18 N +ATOM 4967 CA TYR C 181 -2.302 71.463 -4.600 1.00 16.49 C +ATOM 4968 C TYR C 181 -3.353 71.796 -3.556 1.00 15.31 C +ATOM 4969 O TYR C 181 -4.209 70.965 -3.248 1.00 16.21 O +ATOM 4970 CB TYR C 181 -2.969 71.076 -5.919 1.00 15.87 C +ATOM 4971 CG TYR C 181 -2.019 70.443 -6.904 1.00 17.21 C +ATOM 4972 CD1 TYR C 181 -1.250 71.227 -7.760 1.00 15.87 C +ATOM 4973 CD2 TYR C 181 -1.878 69.055 -6.973 1.00 18.50 C +ATOM 4974 CE1 TYR C 181 -0.363 70.649 -8.665 1.00 19.13 C +ATOM 4975 CE2 TYR C 181 -0.996 68.463 -7.874 1.00 17.56 C +ATOM 4976 CZ TYR C 181 -0.241 69.269 -8.718 1.00 18.50 C +ATOM 4977 OH TYR C 181 0.632 68.692 -9.612 1.00 21.16 O +ATOM 4978 N MET C 182 -3.284 73.011 -3.017 1.00 16.00 N +ATOM 4979 CA MET C 182 -4.193 73.442 -1.960 1.00 15.26 C +ATOM 4980 C MET C 182 -5.071 74.641 -2.321 1.00 16.47 C +ATOM 4981 O MET C 182 -4.589 75.770 -2.397 1.00 14.23 O +ATOM 4982 CB MET C 182 -3.367 73.776 -0.714 1.00 17.35 C +ATOM 4983 CG MET C 182 -2.426 72.654 -0.288 1.00 18.27 C +ATOM 4984 SD MET C 182 -1.065 73.229 0.760 1.00 23.06 S +ATOM 4985 CE MET C 182 0.132 73.694 -0.482 1.00 19.87 C +ATOM 4986 N ALA C 183 -6.361 74.392 -2.531 1.00 17.32 N +ATOM 4987 CA ALA C 183 -7.298 75.458 -2.862 1.00 18.26 C +ATOM 4988 C ALA C 183 -7.475 76.352 -1.640 1.00 19.37 C +ATOM 4989 O ALA C 183 -7.469 75.872 -0.501 1.00 19.22 O +ATOM 4990 CB ALA C 183 -8.637 74.873 -3.281 1.00 18.44 C +ATOM 4991 N LYS C 184 -7.631 77.649 -1.884 1.00 19.05 N +ATOM 4992 CA LYS C 184 -7.796 78.622 -0.811 1.00 19.57 C +ATOM 4993 C LYS C 184 -9.190 78.557 -0.197 1.00 20.60 C +ATOM 4994 O LYS C 184 -9.473 79.212 0.809 1.00 20.15 O +ATOM 4995 CB LYS C 184 -7.478 80.022 -1.340 1.00 18.18 C +ATOM 4996 CG LYS C 184 -6.004 80.181 -1.704 1.00 17.18 C +ATOM 4997 CD LYS C 184 -5.738 81.473 -2.456 1.00 18.79 C +ATOM 4998 CE LYS C 184 -4.269 81.616 -2.827 1.00 17.16 C +ATOM 4999 NZ LYS C 184 -4.019 82.830 -3.664 1.00 18.44 N +ATOM 5000 N LYS C 185 -10.055 77.764 -0.821 1.00 19.53 N +ATOM 5001 CA LYS C 185 -11.414 77.527 -0.340 1.00 20.99 C +ATOM 5002 C LYS C 185 -11.668 76.071 -0.721 1.00 19.49 C +ATOM 5003 O LYS C 185 -11.368 75.660 -1.840 1.00 20.84 O +ATOM 5004 CB LYS C 185 -12.428 78.467 -1.011 1.00 20.43 C +ATOM 5005 CG LYS C 185 -12.573 78.316 -2.516 1.00 20.95 C +ATOM 5006 CD LYS C 185 -13.570 79.338 -3.059 1.00 24.73 C +ATOM 5007 CE LYS C 185 -13.732 79.212 -4.566 1.00 23.76 C +ATOM 5008 NZ LYS C 185 -14.730 80.181 -5.095 1.00 28.40 N +ATOM 5009 N PRO C 186 -12.212 75.269 0.208 1.00 20.29 N +ATOM 5010 CA PRO C 186 -12.488 73.848 -0.039 1.00 20.31 C +ATOM 5011 C PRO C 186 -13.495 73.514 -1.134 1.00 21.28 C +ATOM 5012 O PRO C 186 -14.658 73.243 -0.851 1.00 23.49 O +ATOM 5013 CB PRO C 186 -12.938 73.346 1.331 1.00 20.23 C +ATOM 5014 CG PRO C 186 -13.650 74.527 1.886 1.00 21.22 C +ATOM 5015 CD PRO C 186 -12.736 75.683 1.521 1.00 18.85 C +ATOM 5016 N VAL C 187 -13.038 73.516 -2.383 1.00 20.61 N +ATOM 5017 CA VAL C 187 -13.903 73.192 -3.506 1.00 19.62 C +ATOM 5018 C VAL C 187 -13.815 71.694 -3.816 1.00 19.93 C +ATOM 5019 O VAL C 187 -12.940 70.993 -3.300 1.00 19.49 O +ATOM 5020 CB VAL C 187 -13.532 74.023 -4.752 1.00 19.52 C +ATOM 5021 CG1 VAL C 187 -13.944 75.475 -4.540 1.00 19.42 C +ATOM 5022 CG2 VAL C 187 -12.038 73.941 -5.008 1.00 21.59 C +ATOM 5023 N GLN C 188 -14.722 71.209 -4.656 1.00 20.90 N +ATOM 5024 CA GLN C 188 -14.780 69.789 -4.997 1.00 20.80 C +ATOM 5025 C GLN C 188 -13.481 69.162 -5.492 1.00 19.61 C +ATOM 5026 O GLN C 188 -12.899 69.617 -6.474 1.00 19.20 O +ATOM 5027 CB GLN C 188 -15.868 69.544 -6.043 1.00 23.72 C +ATOM 5028 CG GLN C 188 -16.111 68.067 -6.325 1.00 26.84 C +ATOM 5029 CD GLN C 188 -17.053 67.835 -7.491 1.00 32.60 C +ATOM 5030 OE1 GLN C 188 -17.515 66.714 -7.715 1.00 34.67 O +ATOM 5031 NE2 GLN C 188 -17.335 68.894 -8.249 1.00 32.21 N +ATOM 5032 N LEU C 189 -13.055 68.096 -4.818 1.00 18.93 N +ATOM 5033 CA LEU C 189 -11.838 67.371 -5.181 1.00 18.35 C +ATOM 5034 C LEU C 189 -12.170 66.209 -6.115 1.00 18.31 C +ATOM 5035 O LEU C 189 -13.277 65.666 -6.078 1.00 18.11 O +ATOM 5036 CB LEU C 189 -11.154 66.820 -3.925 1.00 19.94 C +ATOM 5037 CG LEU C 189 -10.344 67.788 -3.059 1.00 21.24 C +ATOM 5038 CD1 LEU C 189 -10.227 67.246 -1.653 1.00 21.95 C +ATOM 5039 CD2 LEU C 189 -8.969 67.994 -3.675 1.00 21.77 C +ATOM 5040 N PRO C 190 -11.220 65.820 -6.979 1.00 16.00 N +ATOM 5041 CA PRO C 190 -11.463 64.709 -7.902 1.00 15.75 C +ATOM 5042 C PRO C 190 -11.093 63.387 -7.234 1.00 16.46 C +ATOM 5043 O PRO C 190 -10.731 63.359 -6.060 1.00 15.24 O +ATOM 5044 CB PRO C 190 -10.541 65.034 -9.065 1.00 15.81 C +ATOM 5045 CG PRO C 190 -9.345 65.585 -8.360 1.00 14.57 C +ATOM 5046 CD PRO C 190 -9.974 66.525 -7.333 1.00 15.98 C +ATOM 5047 N GLY C 191 -11.191 62.297 -7.987 1.00 16.30 N +ATOM 5048 CA GLY C 191 -10.832 60.999 -7.450 1.00 16.81 C +ATOM 5049 C GLY C 191 -9.418 60.672 -7.898 1.00 16.91 C +ATOM 5050 O GLY C 191 -8.642 61.576 -8.208 1.00 16.80 O +ATOM 5051 N TYR C 192 -9.091 59.383 -7.938 1.00 15.23 N +ATOM 5052 CA TYR C 192 -7.771 58.911 -8.361 1.00 15.05 C +ATOM 5053 C TYR C 192 -7.700 59.093 -9.876 1.00 16.43 C +ATOM 5054 O TYR C 192 -8.500 58.505 -10.604 1.00 17.04 O +ATOM 5055 CB TYR C 192 -7.636 57.423 -8.024 1.00 15.83 C +ATOM 5056 CG TYR C 192 -6.228 56.862 -8.019 1.00 14.89 C +ATOM 5057 CD1 TYR C 192 -5.440 56.928 -6.874 1.00 15.44 C +ATOM 5058 CD2 TYR C 192 -5.702 56.227 -9.144 1.00 15.18 C +ATOM 5059 CE1 TYR C 192 -4.164 56.374 -6.843 1.00 14.14 C +ATOM 5060 CE2 TYR C 192 -4.420 55.667 -9.125 1.00 13.15 C +ATOM 5061 CZ TYR C 192 -3.659 55.746 -7.966 1.00 14.84 C +ATOM 5062 OH TYR C 192 -2.394 55.203 -7.920 1.00 10.70 O +ATOM 5063 N TYR C 193 -6.758 59.898 -10.363 1.00 14.31 N +ATOM 5064 CA TYR C 193 -6.659 60.099 -11.805 1.00 13.75 C +ATOM 5065 C TYR C 193 -5.266 60.493 -12.279 1.00 14.22 C +ATOM 5066 O TYR C 193 -4.331 60.580 -11.482 1.00 15.73 O +ATOM 5067 CB TYR C 193 -7.699 61.130 -12.267 1.00 13.14 C +ATOM 5068 CG TYR C 193 -7.324 62.589 -12.106 1.00 13.70 C +ATOM 5069 CD1 TYR C 193 -7.239 63.181 -10.848 1.00 14.65 C +ATOM 5070 CD2 TYR C 193 -7.125 63.394 -13.226 1.00 13.67 C +ATOM 5071 CE1 TYR C 193 -6.974 64.555 -10.712 1.00 13.71 C +ATOM 5072 CE2 TYR C 193 -6.859 64.755 -13.107 1.00 14.05 C +ATOM 5073 CZ TYR C 193 -6.790 65.332 -11.850 1.00 15.11 C +ATOM 5074 OH TYR C 193 -6.568 66.687 -11.745 1.00 12.86 O +ATOM 5075 N TYR C 194 -5.133 60.736 -13.579 1.00 14.60 N +ATOM 5076 CA TYR C 194 -3.840 61.085 -14.152 1.00 14.49 C +ATOM 5077 C TYR C 194 -3.810 62.355 -14.977 1.00 14.90 C +ATOM 5078 O TYR C 194 -4.833 62.814 -15.489 1.00 15.40 O +ATOM 5079 CB TYR C 194 -3.335 59.948 -15.038 1.00 14.77 C +ATOM 5080 CG TYR C 194 -3.035 58.679 -14.294 1.00 15.28 C +ATOM 5081 CD1 TYR C 194 -4.045 57.769 -13.994 1.00 14.62 C +ATOM 5082 CD2 TYR C 194 -1.739 58.394 -13.869 1.00 14.22 C +ATOM 5083 CE1 TYR C 194 -3.769 56.600 -13.285 1.00 14.74 C +ATOM 5084 CE2 TYR C 194 -1.454 57.233 -13.160 1.00 14.73 C +ATOM 5085 CZ TYR C 194 -2.473 56.341 -12.871 1.00 15.31 C +ATOM 5086 OH TYR C 194 -2.203 55.198 -12.151 1.00 13.38 O +ATOM 5087 N VAL C 195 -2.609 62.904 -15.118 1.00 13.58 N +ATOM 5088 CA VAL C 195 -2.397 64.108 -15.910 1.00 13.10 C +ATOM 5089 C VAL C 195 -1.136 63.943 -16.749 1.00 14.72 C +ATOM 5090 O VAL C 195 -0.036 63.774 -16.214 1.00 16.05 O +ATOM 5091 CB VAL C 195 -2.236 65.367 -15.027 1.00 13.20 C +ATOM 5092 CG1 VAL C 195 -1.678 66.518 -15.863 1.00 13.68 C +ATOM 5093 CG2 VAL C 195 -3.595 65.774 -14.441 1.00 10.57 C +ATOM 5094 N ASP C 196 -1.304 63.979 -18.066 1.00 13.70 N +ATOM 5095 CA ASP C 196 -0.184 63.860 -18.989 1.00 14.06 C +ATOM 5096 C ASP C 196 0.318 65.267 -19.285 1.00 15.51 C +ATOM 5097 O ASP C 196 -0.477 66.183 -19.489 1.00 14.41 O +ATOM 5098 CB ASP C 196 -0.624 63.187 -20.291 1.00 15.15 C +ATOM 5099 CG ASP C 196 -1.018 61.734 -20.096 1.00 17.34 C +ATOM 5100 OD1 ASP C 196 -0.330 61.028 -19.331 1.00 16.73 O +ATOM 5101 OD2 ASP C 196 -2.007 61.292 -20.716 1.00 17.65 O +ATOM 5102 N SER C 197 1.636 65.437 -19.287 1.00 14.90 N +ATOM 5103 CA SER C 197 2.236 66.734 -19.560 1.00 15.80 C +ATOM 5104 C SER C 197 3.465 66.574 -20.440 1.00 15.28 C +ATOM 5105 O SER C 197 4.133 65.540 -20.412 1.00 16.98 O +ATOM 5106 CB SER C 197 2.670 67.416 -18.258 1.00 17.19 C +ATOM 5107 OG SER C 197 1.622 67.479 -17.309 1.00 20.41 O +ATOM 5108 N LYS C 198 3.742 67.594 -21.243 1.00 13.95 N +ATOM 5109 CA LYS C 198 4.924 67.603 -22.084 1.00 13.79 C +ATOM 5110 C LYS C 198 5.366 69.053 -22.184 1.00 14.69 C +ATOM 5111 O LYS C 198 4.686 69.882 -22.796 1.00 15.94 O +ATOM 5112 CB LYS C 198 4.650 67.037 -23.475 1.00 12.21 C +ATOM 5113 CG LYS C 198 5.917 66.983 -24.329 1.00 15.90 C +ATOM 5114 CD LYS C 198 5.721 66.154 -25.585 1.00 19.04 C +ATOM 5115 CE LYS C 198 7.022 66.030 -26.367 1.00 21.83 C +ATOM 5116 NZ LYS C 198 7.493 67.354 -26.870 1.00 25.34 N +ATOM 5117 N LEU C 199 6.501 69.353 -21.562 1.00 13.85 N +ATOM 5118 CA LEU C 199 7.039 70.706 -21.548 1.00 12.99 C +ATOM 5119 C LEU C 199 8.273 70.827 -22.438 1.00 13.10 C +ATOM 5120 O LEU C 199 9.229 70.058 -22.318 1.00 12.53 O +ATOM 5121 CB LEU C 199 7.360 71.108 -20.098 1.00 14.72 C +ATOM 5122 CG LEU C 199 7.885 72.514 -19.777 1.00 14.59 C +ATOM 5123 CD1 LEU C 199 7.727 72.787 -18.291 1.00 14.55 C +ATOM 5124 CD2 LEU C 199 9.341 72.640 -20.197 1.00 13.34 C +ATOM 5125 N ASP C 200 8.236 71.795 -23.346 1.00 12.61 N +ATOM 5126 CA ASP C 200 9.335 72.028 -24.272 1.00 15.14 C +ATOM 5127 C ASP C 200 9.943 73.414 -24.112 1.00 16.08 C +ATOM 5128 O ASP C 200 9.230 74.391 -23.884 1.00 16.38 O +ATOM 5129 CB ASP C 200 8.858 71.921 -25.724 1.00 16.31 C +ATOM 5130 CG ASP C 200 8.171 70.615 -26.022 1.00 15.90 C +ATOM 5131 OD1 ASP C 200 8.746 69.557 -25.704 1.00 18.89 O +ATOM 5132 OD2 ASP C 200 7.056 70.652 -26.587 1.00 18.00 O +ATOM 5133 N ILE C 201 11.261 73.490 -24.241 1.00 14.96 N +ATOM 5134 CA ILE C 201 11.954 74.768 -24.194 1.00 15.25 C +ATOM 5135 C ILE C 201 11.918 75.182 -25.666 1.00 14.44 C +ATOM 5136 O ILE C 201 12.573 74.556 -26.501 1.00 14.93 O +ATOM 5137 CB ILE C 201 13.418 74.599 -23.753 1.00 13.72 C +ATOM 5138 CG1 ILE C 201 13.472 74.074 -22.313 1.00 13.38 C +ATOM 5139 CG2 ILE C 201 14.158 75.919 -23.906 1.00 13.10 C +ATOM 5140 CD1 ILE C 201 12.732 74.946 -21.295 1.00 11.53 C +ATOM 5141 N THR C 202 11.145 76.216 -25.986 1.00 16.16 N +ATOM 5142 CA THR C 202 11.005 76.658 -27.372 1.00 17.04 C +ATOM 5143 C THR C 202 12.058 77.651 -27.849 1.00 18.09 C +ATOM 5144 O THR C 202 12.246 77.828 -29.048 1.00 17.63 O +ATOM 5145 CB THR C 202 9.603 77.254 -27.623 1.00 17.05 C +ATOM 5146 OG1 THR C 202 9.359 78.313 -26.691 1.00 17.11 O +ATOM 5147 CG2 THR C 202 8.532 76.182 -27.464 1.00 20.06 C +ATOM 5148 N SER C 203 12.734 78.310 -26.919 1.00 19.05 N +ATOM 5149 CA SER C 203 13.778 79.251 -27.291 1.00 20.32 C +ATOM 5150 C SER C 203 14.634 79.570 -26.078 1.00 20.19 C +ATOM 5151 O SER C 203 14.198 79.414 -24.934 1.00 20.64 O +ATOM 5152 CB SER C 203 13.180 80.540 -27.863 1.00 22.57 C +ATOM 5153 OG SER C 203 12.580 81.320 -26.855 1.00 28.09 O +ATOM 5154 N HIS C 204 15.862 80.001 -26.331 1.00 17.57 N +ATOM 5155 CA HIS C 204 16.772 80.338 -25.251 1.00 16.47 C +ATOM 5156 C HIS C 204 17.997 81.023 -25.811 1.00 15.92 C +ATOM 5157 O HIS C 204 18.420 80.719 -26.925 1.00 12.37 O +ATOM 5158 CB HIS C 204 17.193 79.063 -24.505 1.00 16.27 C +ATOM 5159 CG HIS C 204 17.982 78.096 -25.339 1.00 17.22 C +ATOM 5160 ND1 HIS C 204 19.350 78.183 -25.490 1.00 17.34 N +ATOM 5161 CD2 HIS C 204 17.596 77.002 -26.041 1.00 16.19 C +ATOM 5162 CE1 HIS C 204 19.774 77.183 -26.244 1.00 16.11 C +ATOM 5163 NE2 HIS C 204 18.729 76.452 -26.591 1.00 16.24 N +ATOM 5164 N ASN C 205 18.551 81.968 -25.059 1.00 15.19 N +ATOM 5165 CA ASN C 205 19.766 82.622 -25.513 1.00 18.68 C +ATOM 5166 C ASN C 205 20.921 81.757 -25.018 1.00 20.29 C +ATOM 5167 O ASN C 205 20.712 80.797 -24.267 1.00 20.63 O +ATOM 5168 CB ASN C 205 19.876 84.057 -24.984 1.00 19.73 C +ATOM 5169 CG ASN C 205 19.685 84.158 -23.485 1.00 19.97 C +ATOM 5170 OD1 ASN C 205 19.563 83.152 -22.785 1.00 21.50 O +ATOM 5171 ND2 ASN C 205 19.662 85.386 -22.983 1.00 19.75 N +ATOM 5172 N GLU C 206 22.131 82.082 -25.451 1.00 20.36 N +ATOM 5173 CA GLU C 206 23.320 81.320 -25.089 1.00 21.10 C +ATOM 5174 C GLU C 206 23.444 80.912 -23.614 1.00 21.36 C +ATOM 5175 O GLU C 206 23.743 79.752 -23.317 1.00 18.98 O +ATOM 5176 CB GLU C 206 24.567 82.101 -25.513 1.00 26.00 C +ATOM 5177 CG GLU C 206 25.709 81.241 -26.017 1.00 32.03 C +ATOM 5178 CD GLU C 206 26.162 80.216 -25.001 1.00 37.08 C +ATOM 5179 OE1 GLU C 206 26.603 80.616 -23.899 1.00 40.77 O +ATOM 5180 OE2 GLU C 206 26.078 79.007 -25.306 1.00 41.16 O +ATOM 5181 N ASP C 207 23.215 81.849 -22.694 1.00 19.55 N +ATOM 5182 CA ASP C 207 23.349 81.555 -21.267 1.00 19.98 C +ATOM 5183 C ASP C 207 22.050 81.350 -20.496 1.00 18.93 C +ATOM 5184 O ASP C 207 22.047 81.399 -19.266 1.00 18.45 O +ATOM 5185 CB ASP C 207 24.159 82.658 -20.580 1.00 20.68 C +ATOM 5186 CG ASP C 207 23.487 84.013 -20.657 1.00 23.45 C +ATOM 5187 OD1 ASP C 207 22.385 84.106 -21.239 1.00 23.84 O +ATOM 5188 OD2 ASP C 207 24.063 84.990 -20.132 1.00 25.97 O +ATOM 5189 N TYR C 208 20.955 81.126 -21.215 1.00 17.58 N +ATOM 5190 CA TYR C 208 19.650 80.903 -20.602 1.00 17.45 C +ATOM 5191 C TYR C 208 19.182 81.990 -19.636 1.00 18.49 C +ATOM 5192 O TYR C 208 18.620 81.687 -18.581 1.00 19.37 O +ATOM 5193 CB TYR C 208 19.619 79.550 -19.879 1.00 18.74 C +ATOM 5194 CG TYR C 208 19.644 78.352 -20.807 1.00 17.93 C +ATOM 5195 CD1 TYR C 208 20.837 77.901 -21.367 1.00 20.17 C +ATOM 5196 CD2 TYR C 208 18.467 77.688 -21.142 1.00 19.76 C +ATOM 5197 CE1 TYR C 208 20.859 76.812 -22.241 1.00 20.38 C +ATOM 5198 CE2 TYR C 208 18.474 76.602 -22.015 1.00 20.75 C +ATOM 5199 CZ TYR C 208 19.675 76.170 -22.560 1.00 21.72 C +ATOM 5200 OH TYR C 208 19.687 75.095 -23.422 1.00 23.87 O +ATOM 5201 N THR C 209 19.408 83.251 -19.983 1.00 18.04 N +ATOM 5202 CA THR C 209 18.951 84.339 -19.126 1.00 18.18 C +ATOM 5203 C THR C 209 17.598 84.799 -19.644 1.00 17.02 C +ATOM 5204 O THR C 209 16.869 85.517 -18.973 1.00 17.37 O +ATOM 5205 CB THR C 209 19.946 85.509 -19.112 1.00 19.69 C +ATOM 5206 OG1 THR C 209 20.422 85.751 -20.439 1.00 18.24 O +ATOM 5207 CG2 THR C 209 21.118 85.185 -18.190 1.00 19.68 C +ATOM 5208 N ILE C 210 17.275 84.362 -20.856 1.00 17.78 N +ATOM 5209 CA ILE C 210 16.000 84.663 -21.495 1.00 19.88 C +ATOM 5210 C ILE C 210 15.551 83.334 -22.078 1.00 18.45 C +ATOM 5211 O ILE C 210 16.210 82.783 -22.958 1.00 19.33 O +ATOM 5212 CB ILE C 210 16.146 85.678 -22.643 1.00 21.73 C +ATOM 5213 CG1 ILE C 210 16.717 86.994 -22.106 1.00 23.12 C +ATOM 5214 CG2 ILE C 210 14.787 85.915 -23.295 1.00 20.55 C +ATOM 5215 CD1 ILE C 210 16.996 88.021 -23.186 1.00 26.78 C +ATOM 5216 N VAL C 211 14.433 82.819 -21.586 1.00 17.95 N +ATOM 5217 CA VAL C 211 13.945 81.530 -22.044 1.00 15.62 C +ATOM 5218 C VAL C 211 12.438 81.526 -22.258 1.00 15.74 C +ATOM 5219 O VAL C 211 11.703 82.248 -21.582 1.00 16.40 O +ATOM 5220 CB VAL C 211 14.284 80.429 -21.008 1.00 16.14 C +ATOM 5221 CG1 VAL C 211 13.950 79.055 -21.571 1.00 15.56 C +ATOM 5222 CG2 VAL C 211 15.754 80.513 -20.605 1.00 13.45 C +ATOM 5223 N GLU C 212 11.993 80.713 -23.211 1.00 16.20 N +ATOM 5224 CA GLU C 212 10.574 80.560 -23.505 1.00 15.88 C +ATOM 5225 C GLU C 212 10.245 79.072 -23.416 1.00 15.82 C +ATOM 5226 O GLU C 212 11.050 78.233 -23.814 1.00 13.24 O +ATOM 5227 CB GLU C 212 10.241 81.087 -24.905 1.00 19.98 C +ATOM 5228 CG GLU C 212 10.295 82.604 -25.025 1.00 23.49 C +ATOM 5229 CD GLU C 212 9.901 83.093 -26.407 1.00 26.37 C +ATOM 5230 OE1 GLU C 212 8.727 82.920 -26.794 1.00 29.59 O +ATOM 5231 OE2 GLU C 212 10.768 83.646 -27.110 1.00 27.08 O +ATOM 5232 N GLN C 213 9.067 78.755 -22.883 1.00 13.65 N +ATOM 5233 CA GLN C 213 8.638 77.369 -22.728 1.00 15.79 C +ATOM 5234 C GLN C 213 7.221 77.157 -23.244 1.00 15.19 C +ATOM 5235 O GLN C 213 6.436 78.100 -23.365 1.00 14.57 O +ATOM 5236 CB GLN C 213 8.683 76.960 -21.250 1.00 15.66 C +ATOM 5237 CG GLN C 213 9.986 77.270 -20.542 1.00 17.09 C +ATOM 5238 CD GLN C 213 9.946 76.931 -19.058 1.00 16.67 C +ATOM 5239 OE1 GLN C 213 10.896 77.203 -18.324 1.00 16.47 O +ATOM 5240 NE2 GLN C 213 8.848 76.331 -18.612 1.00 13.45 N +ATOM 5241 N TYR C 214 6.901 75.905 -23.549 1.00 16.94 N +ATOM 5242 CA TYR C 214 5.573 75.542 -24.021 1.00 16.61 C +ATOM 5243 C TYR C 214 5.161 74.268 -23.302 1.00 17.26 C +ATOM 5244 O TYR C 214 5.957 73.330 -23.182 1.00 16.49 O +ATOM 5245 CB TYR C 214 5.577 75.282 -25.531 1.00 19.18 C +ATOM 5246 CG TYR C 214 4.288 74.656 -26.018 1.00 23.13 C +ATOM 5247 CD1 TYR C 214 3.132 75.420 -26.172 1.00 25.25 C +ATOM 5248 CD2 TYR C 214 4.205 73.283 -26.256 1.00 22.53 C +ATOM 5249 CE1 TYR C 214 1.926 74.835 -26.543 1.00 26.57 C +ATOM 5250 CE2 TYR C 214 3.005 72.688 -26.624 1.00 27.10 C +ATOM 5251 CZ TYR C 214 1.871 73.470 -26.764 1.00 28.23 C +ATOM 5252 OH TYR C 214 0.680 72.884 -27.113 1.00 31.93 O +ATOM 5253 N GLU C 215 3.924 74.229 -22.823 1.00 16.21 N +ATOM 5254 CA GLU C 215 3.436 73.045 -22.134 1.00 16.41 C +ATOM 5255 C GLU C 215 2.046 72.619 -22.573 1.00 15.96 C +ATOM 5256 O GLU C 215 1.138 73.442 -22.700 1.00 14.77 O +ATOM 5257 CB GLU C 215 3.409 73.258 -20.617 1.00 16.25 C +ATOM 5258 CG GLU C 215 2.792 72.069 -19.869 1.00 19.95 C +ATOM 5259 CD GLU C 215 2.492 72.352 -18.407 1.00 21.69 C +ATOM 5260 OE1 GLU C 215 2.025 73.469 -18.094 1.00 22.14 O +ATOM 5261 OE2 GLU C 215 2.703 71.446 -17.571 1.00 23.06 O +ATOM 5262 N ARG C 216 1.902 71.325 -22.837 1.00 15.47 N +ATOM 5263 CA ARG C 216 0.612 70.751 -23.187 1.00 15.72 C +ATOM 5264 C ARG C 216 0.352 69.858 -21.986 1.00 15.08 C +ATOM 5265 O ARG C 216 1.229 69.085 -21.591 1.00 14.14 O +ATOM 5266 CB ARG C 216 0.678 69.893 -24.454 1.00 16.33 C +ATOM 5267 CG ARG C 216 -0.663 69.239 -24.760 1.00 19.24 C +ATOM 5268 CD ARG C 216 -0.642 68.350 -25.988 1.00 20.97 C +ATOM 5269 NE ARG C 216 -1.916 67.652 -26.141 1.00 23.76 N +ATOM 5270 CZ ARG C 216 -2.148 66.686 -27.025 1.00 26.23 C +ATOM 5271 NH1 ARG C 216 -1.191 66.285 -27.854 1.00 26.34 N +ATOM 5272 NH2 ARG C 216 -3.344 66.117 -27.081 1.00 28.18 N +ATOM 5273 N THR C 217 -0.827 69.972 -21.393 1.00 15.67 N +ATOM 5274 CA THR C 217 -1.150 69.169 -20.220 1.00 15.58 C +ATOM 5275 C THR C 217 -2.648 68.904 -20.149 1.00 15.48 C +ATOM 5276 O THR C 217 -3.462 69.824 -20.278 1.00 14.80 O +ATOM 5277 CB THR C 217 -0.653 69.886 -18.934 1.00 16.74 C +ATOM 5278 OG1 THR C 217 -0.940 69.083 -17.784 1.00 15.01 O +ATOM 5279 CG2 THR C 217 -1.312 71.250 -18.791 1.00 16.56 C +ATOM 5280 N GLU C 218 -3.008 67.637 -19.954 1.00 14.19 N +ATOM 5281 CA GLU C 218 -4.411 67.232 -19.893 1.00 14.51 C +ATOM 5282 C GLU C 218 -4.634 66.107 -18.892 1.00 12.87 C +ATOM 5283 O GLU C 218 -3.815 65.190 -18.786 1.00 12.48 O +ATOM 5284 CB GLU C 218 -4.883 66.753 -21.271 1.00 16.09 C +ATOM 5285 CG GLU C 218 -4.771 67.782 -22.379 1.00 22.34 C +ATOM 5286 CD GLU C 218 -5.161 67.210 -23.729 1.00 24.84 C +ATOM 5287 OE1 GLU C 218 -6.150 66.451 -23.783 1.00 26.44 O +ATOM 5288 OE2 GLU C 218 -4.487 67.525 -24.730 1.00 27.98 O +ATOM 5289 N GLY C 219 -5.756 66.172 -18.182 1.00 13.10 N +ATOM 5290 CA GLY C 219 -6.088 65.146 -17.209 1.00 14.25 C +ATOM 5291 C GLY C 219 -6.991 64.093 -17.824 1.00 15.14 C +ATOM 5292 O GLY C 219 -7.692 64.371 -18.799 1.00 14.56 O +ATOM 5293 N ARG C 220 -6.984 62.888 -17.258 1.00 14.71 N +ATOM 5294 CA ARG C 220 -7.800 61.790 -17.776 1.00 14.62 C +ATOM 5295 C ARG C 220 -7.849 60.641 -16.780 1.00 17.49 C +ATOM 5296 O ARG C 220 -7.069 60.600 -15.830 1.00 16.33 O +ATOM 5297 CB ARG C 220 -7.187 61.251 -19.067 1.00 16.75 C +ATOM 5298 CG ARG C 220 -5.783 60.676 -18.849 1.00 15.45 C +ATOM 5299 CD ARG C 220 -5.226 59.996 -20.082 1.00 17.80 C +ATOM 5300 NE ARG C 220 -3.828 59.615 -19.896 1.00 17.70 N +ATOM 5301 CZ ARG C 220 -3.412 58.633 -19.102 1.00 21.12 C +ATOM 5302 NH1 ARG C 220 -4.287 57.911 -18.414 1.00 20.37 N +ATOM 5303 NH2 ARG C 220 -2.113 58.383 -18.983 1.00 21.70 N +ATOM 5304 N HIS C 221 -8.770 59.708 -17.005 1.00 16.88 N +ATOM 5305 CA HIS C 221 -8.867 58.522 -16.163 1.00 16.52 C +ATOM 5306 C HIS C 221 -7.799 57.594 -16.709 1.00 16.21 C +ATOM 5307 O HIS C 221 -7.334 57.770 -17.838 1.00 17.32 O +ATOM 5308 CB HIS C 221 -10.213 57.816 -16.333 1.00 17.99 C +ATOM 5309 CG HIS C 221 -11.383 58.594 -15.824 1.00 19.97 C +ATOM 5310 ND1 HIS C 221 -11.571 58.864 -14.486 1.00 20.30 N +ATOM 5311 CD2 HIS C 221 -12.443 59.133 -16.471 1.00 20.42 C +ATOM 5312 CE1 HIS C 221 -12.699 59.534 -14.330 1.00 21.80 C +ATOM 5313 NE2 HIS C 221 -13.247 59.710 -15.520 1.00 22.32 N +ATOM 5314 N HIS C 222 -7.411 56.605 -15.918 1.00 16.01 N +ATOM 5315 CA HIS C 222 -6.426 55.642 -16.371 1.00 15.07 C +ATOM 5316 C HIS C 222 -7.064 55.036 -17.617 1.00 16.05 C +ATOM 5317 O HIS C 222 -8.285 54.882 -17.664 1.00 12.63 O +ATOM 5318 CB HIS C 222 -6.224 54.578 -15.294 1.00 14.97 C +ATOM 5319 CG HIS C 222 -5.226 53.525 -15.656 1.00 14.17 C +ATOM 5320 ND1 HIS C 222 -5.483 52.546 -16.591 1.00 14.64 N +ATOM 5321 CD2 HIS C 222 -3.974 53.288 -15.196 1.00 13.89 C +ATOM 5322 CE1 HIS C 222 -4.432 51.750 -16.690 1.00 16.69 C +ATOM 5323 NE2 HIS C 222 -3.503 52.177 -15.854 1.00 12.42 N +ATOM 5324 N LEU C 223 -6.265 54.712 -18.632 1.00 18.97 N +ATOM 5325 CA LEU C 223 -6.822 54.134 -19.849 1.00 23.10 C +ATOM 5326 C LEU C 223 -7.702 52.938 -19.506 1.00 27.99 C +ATOM 5327 O LEU C 223 -8.187 52.223 -20.385 1.00 28.11 O +ATOM 5328 CB LEU C 223 -5.705 53.744 -20.823 1.00 22.84 C +ATOM 5329 CG LEU C 223 -4.881 54.939 -21.328 1.00 23.12 C +ATOM 5330 CD1 LEU C 223 -4.025 54.516 -22.520 1.00 23.51 C +ATOM 5331 CD2 LEU C 223 -5.818 56.076 -21.735 1.00 21.01 C +ATOM 5332 N PHE C 224 -7.902 52.763 -18.201 1.00 33.06 N +ATOM 5333 CA PHE C 224 -8.742 51.734 -17.609 1.00 37.39 C +ATOM 5334 C PHE C 224 -8.652 50.404 -18.295 1.00 39.81 C +ATOM 5335 O PHE C 224 -9.668 49.730 -18.478 1.00 40.13 O +ATOM 5336 CB PHE C 224 -10.203 52.187 -17.593 1.00 37.08 C +ATOM 5337 CG PHE C 224 -10.768 52.350 -16.214 1.00 40.05 C +ATOM 5338 CD1 PHE C 224 -9.930 52.369 -15.100 1.00 40.19 C +ATOM 5339 CD2 PHE C 224 -12.139 52.465 -16.025 1.00 41.94 C +ATOM 5340 CE1 PHE C 224 -10.447 52.498 -13.822 1.00 41.41 C +ATOM 5341 CE2 PHE C 224 -12.671 52.595 -14.743 1.00 43.23 C +ATOM 5342 CZ PHE C 224 -11.822 52.610 -13.639 1.00 42.69 C +ATOM 5343 N LEU C 225 -7.435 50.019 -18.655 1.00 42.75 N +ATOM 5344 CA LEU C 225 -7.235 48.757 -19.335 1.00 46.03 C +ATOM 5345 C LEU C 225 -7.735 47.603 -18.463 1.00 48.27 C +ATOM 5346 O LEU C 225 -8.750 46.979 -18.856 1.00 48.95 O +ATOM 5347 CB LEU C 225 -5.756 48.578 -19.706 1.00 44.33 C +ATOM 5348 CG LEU C 225 -4.750 47.927 -18.756 1.00 42.60 C +ATOM 5349 CD1 LEU C 225 -3.429 47.811 -19.477 1.00 41.58 C +ATOM 5350 CD2 LEU C 225 -4.602 48.727 -17.485 1.00 42.62 C +ATOM 5351 OXT LEU C 225 -7.135 47.348 -17.396 1.00 50.54 O +TER 5352 LEU C 225 +ATOM 5353 N VAL D 7 8.105 29.647 -30.193 1.00 32.17 N +ATOM 5354 CA VAL D 7 8.551 29.694 -28.770 1.00 31.07 C +ATOM 5355 C VAL D 7 7.428 30.238 -27.884 1.00 30.58 C +ATOM 5356 O VAL D 7 6.907 29.525 -27.025 1.00 30.81 O +ATOM 5357 CB VAL D 7 9.811 30.577 -28.620 1.00 31.88 C +ATOM 5358 CG1 VAL D 7 10.261 30.608 -27.168 1.00 32.23 C +ATOM 5359 CG2 VAL D 7 10.930 30.031 -29.494 1.00 31.41 C +ATOM 5360 N ILE D 8 7.058 31.498 -28.094 1.00 27.99 N +ATOM 5361 CA ILE D 8 5.978 32.110 -27.326 1.00 27.21 C +ATOM 5362 C ILE D 8 4.701 32.081 -28.165 1.00 26.56 C +ATOM 5363 O ILE D 8 4.509 32.904 -29.061 1.00 26.30 O +ATOM 5364 CB ILE D 8 6.329 33.566 -26.929 1.00 25.49 C +ATOM 5365 CG1 ILE D 8 7.441 33.550 -25.871 1.00 25.84 C +ATOM 5366 CG2 ILE D 8 5.088 34.285 -26.395 1.00 24.61 C +ATOM 5367 CD1 ILE D 8 7.948 34.923 -25.479 1.00 25.55 C +ATOM 5368 N LYS D 9 3.835 31.115 -27.875 1.00 26.08 N +ATOM 5369 CA LYS D 9 2.588 30.958 -28.615 1.00 25.85 C +ATOM 5370 C LYS D 9 1.525 31.968 -28.198 1.00 25.22 C +ATOM 5371 O LYS D 9 1.693 32.693 -27.215 1.00 21.80 O +ATOM 5372 CB LYS D 9 2.056 29.533 -28.433 1.00 28.35 C +ATOM 5373 CG LYS D 9 3.015 28.449 -28.917 1.00 30.89 C +ATOM 5374 CD LYS D 9 3.348 28.624 -30.397 1.00 36.05 C +ATOM 5375 CE LYS D 9 4.386 27.610 -30.868 1.00 38.27 C +ATOM 5376 NZ LYS D 9 4.718 27.770 -32.316 1.00 40.01 N +ATOM 5377 N GLU D 10 0.436 32.011 -28.958 1.00 23.77 N +ATOM 5378 CA GLU D 10 -0.666 32.923 -28.680 1.00 23.20 C +ATOM 5379 C GLU D 10 -1.299 32.604 -27.333 1.00 21.24 C +ATOM 5380 O GLU D 10 -1.895 33.473 -26.698 1.00 19.44 O +ATOM 5381 CB GLU D 10 -1.716 32.837 -29.790 1.00 26.04 C +ATOM 5382 CG GLU D 10 -1.157 33.140 -31.171 1.00 31.95 C +ATOM 5383 CD GLU D 10 -2.240 33.358 -32.212 1.00 35.20 C +ATOM 5384 OE1 GLU D 10 -2.997 34.347 -32.085 1.00 36.65 O +ATOM 5385 OE2 GLU D 10 -2.331 32.542 -33.155 1.00 37.67 O +ATOM 5386 N PHE D 11 -1.186 31.350 -26.909 1.00 18.69 N +ATOM 5387 CA PHE D 11 -1.716 30.931 -25.613 1.00 18.11 C +ATOM 5388 C PHE D 11 -0.566 30.291 -24.852 1.00 18.61 C +ATOM 5389 O PHE D 11 0.143 29.451 -25.402 1.00 17.71 O +ATOM 5390 CB PHE D 11 -2.840 29.905 -25.767 1.00 18.26 C +ATOM 5391 CG PHE D 11 -3.372 29.400 -24.452 1.00 19.42 C +ATOM 5392 CD1 PHE D 11 -4.135 30.228 -23.630 1.00 20.05 C +ATOM 5393 CD2 PHE D 11 -3.086 28.109 -24.019 1.00 20.74 C +ATOM 5394 CE1 PHE D 11 -4.604 29.780 -22.397 1.00 21.05 C +ATOM 5395 CE2 PHE D 11 -3.551 27.649 -22.786 1.00 22.57 C +ATOM 5396 CZ PHE D 11 -4.312 28.487 -21.973 1.00 23.35 C +ATOM 5397 N MET D 12 -0.383 30.676 -23.592 1.00 18.34 N +ATOM 5398 CA MET D 12 0.715 30.133 -22.791 1.00 18.05 C +ATOM 5399 C MET D 12 0.359 30.008 -21.319 1.00 16.08 C +ATOM 5400 O MET D 12 -0.250 30.899 -20.731 1.00 12.96 O +ATOM 5401 CB MET D 12 1.958 31.023 -22.911 1.00 19.88 C +ATOM 5402 CG MET D 12 2.604 31.077 -24.293 1.00 23.29 C +ATOM 5403 SD MET D 12 3.367 29.522 -24.797 1.00 27.23 S +ATOM 5404 CE MET D 12 4.922 29.568 -23.904 1.00 25.79 C +ATOM 5405 N ARG D 13 0.757 28.893 -20.726 1.00 15.73 N +ATOM 5406 CA ARG D 13 0.503 28.659 -19.319 1.00 15.56 C +ATOM 5407 C ARG D 13 1.801 28.889 -18.575 1.00 15.72 C +ATOM 5408 O ARG D 13 2.871 28.962 -19.183 1.00 14.48 O +ATOM 5409 CB ARG D 13 0.070 27.218 -19.082 1.00 16.59 C +ATOM 5410 CG ARG D 13 -1.280 26.843 -19.642 1.00 18.34 C +ATOM 5411 CD ARG D 13 -1.433 25.340 -19.551 1.00 21.82 C +ATOM 5412 NE ARG D 13 -2.713 24.880 -20.068 1.00 24.70 N +ATOM 5413 CZ ARG D 13 -3.024 23.599 -20.231 1.00 26.73 C +ATOM 5414 NH1 ARG D 13 -2.138 22.658 -19.920 1.00 27.36 N +ATOM 5415 NH2 ARG D 13 -4.220 23.261 -20.691 1.00 27.05 N +ATOM 5416 N PHE D 14 1.700 28.999 -17.257 1.00 16.59 N +ATOM 5417 CA PHE D 14 2.876 29.167 -16.428 1.00 15.03 C +ATOM 5418 C PHE D 14 2.622 28.629 -15.030 1.00 15.41 C +ATOM 5419 O PHE D 14 1.478 28.480 -14.609 1.00 14.88 O +ATOM 5420 CB PHE D 14 3.308 30.640 -16.383 1.00 15.79 C +ATOM 5421 CG PHE D 14 2.410 31.545 -15.563 1.00 17.35 C +ATOM 5422 CD1 PHE D 14 2.496 31.568 -14.172 1.00 18.42 C +ATOM 5423 CD2 PHE D 14 1.558 32.448 -16.189 1.00 16.62 C +ATOM 5424 CE1 PHE D 14 1.757 32.483 -13.420 1.00 17.81 C +ATOM 5425 CE2 PHE D 14 0.811 33.371 -15.446 1.00 19.09 C +ATOM 5426 CZ PHE D 14 0.915 33.388 -14.058 1.00 13.54 C +ATOM 5427 N LYS D 15 3.700 28.304 -14.329 1.00 15.36 N +ATOM 5428 CA LYS D 15 3.607 27.806 -12.967 1.00 16.00 C +ATOM 5429 C LYS D 15 4.537 28.680 -12.148 1.00 15.34 C +ATOM 5430 O LYS D 15 5.565 29.142 -12.645 1.00 14.85 O +ATOM 5431 CB LYS D 15 4.021 26.335 -12.907 1.00 18.14 C +ATOM 5432 CG LYS D 15 3.021 25.437 -13.629 1.00 23.98 C +ATOM 5433 CD LYS D 15 3.550 24.037 -13.853 1.00 28.83 C +ATOM 5434 CE LYS D 15 2.554 23.218 -14.663 1.00 31.94 C +ATOM 5435 NZ LYS D 15 3.089 21.870 -15.005 1.00 34.01 N +ATOM 5436 N VAL D 16 4.170 28.922 -10.898 1.00 15.57 N +ATOM 5437 CA VAL D 16 4.974 29.785 -10.056 1.00 16.68 C +ATOM 5438 C VAL D 16 5.062 29.273 -8.630 1.00 15.52 C +ATOM 5439 O VAL D 16 4.183 28.563 -8.153 1.00 16.17 O +ATOM 5440 CB VAL D 16 4.387 31.221 -10.042 1.00 15.67 C +ATOM 5441 CG1 VAL D 16 2.966 31.193 -9.496 1.00 15.73 C +ATOM 5442 CG2 VAL D 16 5.262 32.146 -9.202 1.00 16.13 C +ATOM 5443 N ARG D 17 6.149 29.632 -7.963 1.00 17.77 N +ATOM 5444 CA ARG D 17 6.361 29.249 -6.580 1.00 17.61 C +ATOM 5445 C ARG D 17 7.011 30.441 -5.897 1.00 18.20 C +ATOM 5446 O ARG D 17 7.915 31.064 -6.457 1.00 17.48 O +ATOM 5447 CB ARG D 17 7.280 28.026 -6.499 1.00 20.07 C +ATOM 5448 CG ARG D 17 7.485 27.510 -5.084 1.00 25.16 C +ATOM 5449 CD ARG D 17 8.106 26.118 -5.070 1.00 29.75 C +ATOM 5450 NE ARG D 17 8.024 25.520 -3.740 1.00 33.63 N +ATOM 5451 CZ ARG D 17 8.682 25.969 -2.678 1.00 33.55 C +ATOM 5452 NH1 ARG D 17 9.482 27.019 -2.791 1.00 35.59 N +ATOM 5453 NH2 ARG D 17 8.525 25.381 -1.500 1.00 35.19 N +ATOM 5454 N MET D 18 6.537 30.777 -4.702 1.00 16.53 N +ATOM 5455 CA MET D 18 7.108 31.893 -3.962 1.00 16.57 C +ATOM 5456 C MET D 18 7.528 31.470 -2.570 1.00 16.39 C +ATOM 5457 O MET D 18 6.803 30.762 -1.883 1.00 16.56 O +ATOM 5458 CB MET D 18 6.109 33.047 -3.820 1.00 14.95 C +ATOM 5459 CG MET D 18 6.626 34.165 -2.915 1.00 16.11 C +ATOM 5460 SD MET D 18 5.432 35.464 -2.504 1.00 17.30 S +ATOM 5461 CE MET D 18 5.433 36.433 -4.039 1.00 14.72 C +ATOM 5462 N GLU D 19 8.718 31.898 -2.175 1.00 14.89 N +ATOM 5463 CA GLU D 19 9.227 31.638 -0.846 1.00 15.40 C +ATOM 5464 C GLU D 19 9.400 33.047 -0.319 1.00 14.79 C +ATOM 5465 O GLU D 19 10.159 33.830 -0.879 1.00 14.21 O +ATOM 5466 CB GLU D 19 10.572 30.910 -0.901 1.00 18.56 C +ATOM 5467 CG GLU D 19 10.446 29.420 -1.200 1.00 21.91 C +ATOM 5468 CD GLU D 19 11.791 28.721 -1.275 1.00 26.11 C +ATOM 5469 OE1 GLU D 19 12.663 29.020 -0.433 1.00 28.69 O +ATOM 5470 OE2 GLU D 19 11.972 27.866 -2.167 1.00 27.76 O +ATOM 5471 N GLY D 20 8.672 33.386 0.735 1.00 14.12 N +ATOM 5472 CA GLY D 20 8.786 34.728 1.268 1.00 11.72 C +ATOM 5473 C GLY D 20 8.674 34.825 2.767 1.00 13.32 C +ATOM 5474 O GLY D 20 8.392 33.845 3.454 1.00 10.42 O +ATOM 5475 N THR D 21 8.929 36.030 3.266 1.00 14.16 N +ATOM 5476 CA THR D 21 8.856 36.339 4.682 1.00 15.39 C +ATOM 5477 C THR D 21 8.368 37.778 4.803 1.00 15.76 C +ATOM 5478 O THR D 21 8.711 38.630 3.979 1.00 15.43 O +ATOM 5479 CB THR D 21 10.242 36.244 5.369 1.00 18.92 C +ATOM 5480 OG1 THR D 21 11.143 37.168 4.748 1.00 24.76 O +ATOM 5481 CG2 THR D 21 10.815 34.838 5.252 1.00 17.71 C +ATOM 5482 N VAL D 22 7.552 38.034 5.819 1.00 14.09 N +ATOM 5483 CA VAL D 22 7.023 39.367 6.090 1.00 13.75 C +ATOM 5484 C VAL D 22 7.028 39.565 7.601 1.00 12.55 C +ATOM 5485 O VAL D 22 6.426 38.781 8.337 1.00 12.46 O +ATOM 5486 CB VAL D 22 5.571 39.529 5.575 1.00 13.95 C +ATOM 5487 CG1 VAL D 22 4.972 40.834 6.102 1.00 16.36 C +ATOM 5488 CG2 VAL D 22 5.557 39.528 4.047 1.00 12.74 C +ATOM 5489 N ASN D 23 7.716 40.604 8.060 1.00 11.91 N +ATOM 5490 CA ASN D 23 7.791 40.886 9.483 1.00 12.70 C +ATOM 5491 C ASN D 23 8.094 39.633 10.302 1.00 14.69 C +ATOM 5492 O ASN D 23 7.486 39.394 11.358 1.00 13.61 O +ATOM 5493 CB ASN D 23 6.489 41.535 9.956 1.00 14.63 C +ATOM 5494 CG ASN D 23 6.500 43.041 9.779 1.00 16.47 C +ATOM 5495 OD1 ASN D 23 7.299 43.575 9.005 1.00 17.05 O +ATOM 5496 ND2 ASN D 23 5.616 43.734 10.492 1.00 16.25 N +ATOM 5497 N GLY D 24 9.037 38.836 9.806 1.00 13.04 N +ATOM 5498 CA GLY D 24 9.438 37.627 10.511 1.00 15.26 C +ATOM 5499 C GLY D 24 8.613 36.384 10.232 1.00 15.13 C +ATOM 5500 O GLY D 24 9.019 35.281 10.604 1.00 16.09 O +ATOM 5501 N HIS D 25 7.463 36.549 9.583 1.00 14.03 N +ATOM 5502 CA HIS D 25 6.594 35.414 9.268 1.00 15.72 C +ATOM 5503 C HIS D 25 6.940 34.781 7.925 1.00 15.58 C +ATOM 5504 O HIS D 25 6.871 35.444 6.891 1.00 14.39 O +ATOM 5505 CB HIS D 25 5.130 35.857 9.228 1.00 15.60 C +ATOM 5506 CG HIS D 25 4.166 34.727 9.029 1.00 17.07 C +ATOM 5507 ND1 HIS D 25 3.723 33.936 10.068 1.00 17.26 N +ATOM 5508 CD2 HIS D 25 3.575 34.243 7.910 1.00 17.15 C +ATOM 5509 CE1 HIS D 25 2.897 33.017 9.599 1.00 15.97 C +ATOM 5510 NE2 HIS D 25 2.791 33.182 8.292 1.00 16.56 N +ATOM 5511 N GLU D 26 7.302 33.500 7.920 1.00 15.44 N +ATOM 5512 CA GLU D 26 7.627 32.864 6.649 1.00 16.43 C +ATOM 5513 C GLU D 26 6.430 32.142 6.054 1.00 16.82 C +ATOM 5514 O GLU D 26 5.521 31.704 6.766 1.00 14.89 O +ATOM 5515 CB GLU D 26 8.801 31.887 6.785 1.00 20.40 C +ATOM 5516 CG GLU D 26 8.519 30.629 7.577 1.00 27.85 C +ATOM 5517 CD GLU D 26 9.660 29.627 7.467 1.00 32.66 C +ATOM 5518 OE1 GLU D 26 10.835 30.058 7.509 1.00 32.24 O +ATOM 5519 OE2 GLU D 26 9.384 28.412 7.344 1.00 35.66 O +ATOM 5520 N PHE D 27 6.442 32.025 4.733 1.00 14.72 N +ATOM 5521 CA PHE D 27 5.365 31.373 4.011 1.00 13.41 C +ATOM 5522 C PHE D 27 5.848 30.917 2.650 1.00 12.67 C +ATOM 5523 O PHE D 27 6.873 31.381 2.152 1.00 12.31 O +ATOM 5524 CB PHE D 27 4.195 32.343 3.845 1.00 11.80 C +ATOM 5525 CG PHE D 27 4.556 33.610 3.113 1.00 11.16 C +ATOM 5526 CD1 PHE D 27 5.023 34.719 3.811 1.00 11.40 C +ATOM 5527 CD2 PHE D 27 4.442 33.688 1.728 1.00 11.01 C +ATOM 5528 CE1 PHE D 27 5.372 35.891 3.140 1.00 12.59 C +ATOM 5529 CE2 PHE D 27 4.785 34.852 1.048 1.00 11.91 C +ATOM 5530 CZ PHE D 27 5.252 35.957 1.756 1.00 9.82 C +ATOM 5531 N GLU D 28 5.101 29.994 2.056 1.00 14.30 N +ATOM 5532 CA GLU D 28 5.418 29.461 0.744 1.00 14.78 C +ATOM 5533 C GLU D 28 4.130 29.434 -0.068 1.00 15.17 C +ATOM 5534 O GLU D 28 3.070 29.083 0.444 1.00 15.17 O +ATOM 5535 CB GLU D 28 6.013 28.052 0.878 1.00 16.44 C +ATOM 5536 CG GLU D 28 7.460 28.061 1.361 1.00 20.30 C +ATOM 5537 CD GLU D 28 8.040 26.669 1.562 1.00 22.81 C +ATOM 5538 OE1 GLU D 28 7.514 25.707 0.968 1.00 23.92 O +ATOM 5539 OE2 GLU D 28 9.038 26.546 2.307 1.00 24.02 O +ATOM 5540 N ILE D 29 4.213 29.825 -1.333 1.00 15.12 N +ATOM 5541 CA ILE D 29 3.025 29.844 -2.176 1.00 16.28 C +ATOM 5542 C ILE D 29 3.308 29.176 -3.509 1.00 16.04 C +ATOM 5543 O ILE D 29 4.385 29.339 -4.079 1.00 16.33 O +ATOM 5544 CB ILE D 29 2.557 31.299 -2.433 1.00 15.85 C +ATOM 5545 CG1 ILE D 29 2.172 31.963 -1.105 1.00 17.83 C +ATOM 5546 CG2 ILE D 29 1.374 31.309 -3.394 1.00 17.78 C +ATOM 5547 CD1 ILE D 29 1.857 33.454 -1.216 1.00 13.05 C +ATOM 5548 N GLU D 30 2.342 28.412 -4.002 1.00 16.05 N +ATOM 5549 CA GLU D 30 2.496 27.751 -5.286 1.00 18.07 C +ATOM 5550 C GLU D 30 1.286 28.084 -6.130 1.00 17.85 C +ATOM 5551 O GLU D 30 0.185 28.259 -5.608 1.00 18.02 O +ATOM 5552 CB GLU D 30 2.602 26.239 -5.118 1.00 21.57 C +ATOM 5553 CG GLU D 30 3.779 25.801 -4.278 1.00 27.96 C +ATOM 5554 CD GLU D 30 4.200 24.383 -4.583 1.00 32.63 C +ATOM 5555 OE1 GLU D 30 3.328 23.487 -4.556 1.00 35.24 O +ATOM 5556 OE2 GLU D 30 5.402 24.167 -4.854 1.00 35.77 O +ATOM 5557 N GLY D 31 1.490 28.188 -7.433 1.00 16.76 N +ATOM 5558 CA GLY D 31 0.374 28.499 -8.298 1.00 17.11 C +ATOM 5559 C GLY D 31 0.600 28.159 -9.751 1.00 16.26 C +ATOM 5560 O GLY D 31 1.642 27.635 -10.147 1.00 17.66 O +ATOM 5561 N GLU D 32 -0.407 28.467 -10.551 1.00 16.86 N +ATOM 5562 CA GLU D 32 -0.365 28.227 -11.974 1.00 16.19 C +ATOM 5563 C GLU D 32 -1.270 29.257 -12.602 1.00 14.57 C +ATOM 5564 O GLU D 32 -2.295 29.628 -12.026 1.00 15.05 O +ATOM 5565 CB GLU D 32 -0.865 26.819 -12.292 1.00 19.03 C +ATOM 5566 CG GLU D 32 -2.123 26.435 -11.547 1.00 21.02 C +ATOM 5567 CD GLU D 32 -2.585 25.038 -11.893 1.00 23.92 C +ATOM 5568 OE1 GLU D 32 -3.190 24.858 -12.972 1.00 26.88 O +ATOM 5569 OE2 GLU D 32 -2.330 24.119 -11.091 1.00 23.54 O +ATOM 5570 N GLY D 33 -0.871 29.734 -13.772 1.00 15.74 N +ATOM 5571 CA GLY D 33 -1.656 30.725 -14.478 1.00 14.46 C +ATOM 5572 C GLY D 33 -1.596 30.458 -15.965 1.00 15.07 C +ATOM 5573 O GLY D 33 -1.014 29.467 -16.399 1.00 15.25 O +ATOM 5574 N GLU D 34 -2.192 31.347 -16.748 1.00 14.81 N +ATOM 5575 CA GLU D 34 -2.214 31.200 -18.197 1.00 15.53 C +ATOM 5576 C GLU D 34 -2.614 32.549 -18.774 1.00 15.33 C +ATOM 5577 O GLU D 34 -3.116 33.411 -18.050 1.00 13.58 O +ATOM 5578 CB GLU D 34 -3.253 30.153 -18.591 1.00 17.53 C +ATOM 5579 CG GLU D 34 -4.675 30.601 -18.285 1.00 19.42 C +ATOM 5580 CD GLU D 34 -5.712 29.544 -18.598 1.00 22.80 C +ATOM 5581 OE1 GLU D 34 -5.362 28.347 -18.667 1.00 23.72 O +ATOM 5582 OE2 GLU D 34 -6.888 29.917 -18.767 1.00 26.62 O +ATOM 5583 N GLY D 35 -2.400 32.734 -20.072 1.00 16.54 N +ATOM 5584 CA GLY D 35 -2.773 33.992 -20.690 1.00 14.88 C +ATOM 5585 C GLY D 35 -2.468 34.064 -22.172 1.00 16.28 C +ATOM 5586 O GLY D 35 -2.106 33.063 -22.797 1.00 17.26 O +ATOM 5587 N ARG D 36 -2.616 35.263 -22.727 1.00 15.39 N +ATOM 5588 CA ARG D 36 -2.367 35.519 -24.143 1.00 18.43 C +ATOM 5589 C ARG D 36 -1.305 36.614 -24.224 1.00 17.32 C +ATOM 5590 O ARG D 36 -1.620 37.801 -24.189 1.00 15.94 O +ATOM 5591 CB ARG D 36 -3.660 35.977 -24.824 1.00 18.88 C +ATOM 5592 CG ARG D 36 -4.821 35.007 -24.637 1.00 24.99 C +ATOM 5593 CD ARG D 36 -6.113 35.555 -25.225 1.00 30.14 C +ATOM 5594 NE ARG D 36 -7.260 34.700 -24.920 1.00 34.35 N +ATOM 5595 CZ ARG D 36 -8.519 35.002 -25.224 1.00 36.73 C +ATOM 5596 NH1 ARG D 36 -8.802 36.140 -25.843 1.00 37.78 N +ATOM 5597 NH2 ARG D 36 -9.499 34.165 -24.908 1.00 38.69 N +ATOM 5598 N PRO D 37 -0.029 36.215 -24.344 1.00 17.48 N +ATOM 5599 CA PRO D 37 1.140 37.098 -24.426 1.00 17.29 C +ATOM 5600 C PRO D 37 1.030 38.314 -25.343 1.00 16.82 C +ATOM 5601 O PRO D 37 1.483 39.403 -24.989 1.00 14.57 O +ATOM 5602 CB PRO D 37 2.255 36.152 -24.870 1.00 17.82 C +ATOM 5603 CG PRO D 37 1.859 34.862 -24.241 1.00 18.38 C +ATOM 5604 CD PRO D 37 0.373 34.809 -24.532 1.00 17.32 C +ATOM 5605 N TYR D 38 0.438 38.132 -26.519 1.00 16.33 N +ATOM 5606 CA TYR D 38 0.321 39.230 -27.472 1.00 17.62 C +ATOM 5607 C TYR D 38 -0.910 40.097 -27.284 1.00 16.63 C +ATOM 5608 O TYR D 38 -1.040 41.139 -27.926 1.00 15.85 O +ATOM 5609 CB TYR D 38 0.364 38.688 -28.906 1.00 19.05 C +ATOM 5610 CG TYR D 38 1.584 37.842 -29.159 1.00 21.50 C +ATOM 5611 CD1 TYR D 38 2.801 38.427 -29.498 1.00 20.91 C +ATOM 5612 CD2 TYR D 38 1.546 36.462 -28.968 1.00 22.11 C +ATOM 5613 CE1 TYR D 38 3.956 37.658 -29.630 1.00 22.01 C +ATOM 5614 CE2 TYR D 38 2.691 35.687 -29.099 1.00 22.77 C +ATOM 5615 CZ TYR D 38 3.892 36.291 -29.426 1.00 22.67 C +ATOM 5616 OH TYR D 38 5.031 35.523 -29.526 1.00 24.33 O +ATOM 5617 N GLU D 39 -1.804 39.683 -26.395 1.00 14.93 N +ATOM 5618 CA GLU D 39 -3.022 40.448 -26.148 1.00 16.98 C +ATOM 5619 C GLU D 39 -3.001 41.187 -24.808 1.00 17.42 C +ATOM 5620 O GLU D 39 -3.845 42.045 -24.555 1.00 17.30 O +ATOM 5621 CB GLU D 39 -4.241 39.526 -26.227 1.00 18.52 C +ATOM 5622 CG GLU D 39 -4.489 38.974 -27.626 1.00 23.13 C +ATOM 5623 CD GLU D 39 -5.733 38.115 -27.704 1.00 25.70 C +ATOM 5624 OE1 GLU D 39 -6.810 38.585 -27.284 1.00 25.55 O +ATOM 5625 OE2 GLU D 39 -5.636 36.971 -28.190 1.00 28.22 O +ATOM 5626 N GLY D 40 -2.040 40.843 -23.951 1.00 16.65 N +ATOM 5627 CA GLY D 40 -1.919 41.508 -22.664 1.00 16.90 C +ATOM 5628 C GLY D 40 -2.849 41.034 -21.564 1.00 18.02 C +ATOM 5629 O GLY D 40 -3.215 41.818 -20.682 1.00 17.98 O +ATOM 5630 N HIS D 41 -3.234 39.760 -21.603 1.00 17.50 N +ATOM 5631 CA HIS D 41 -4.126 39.195 -20.591 1.00 17.83 C +ATOM 5632 C HIS D 41 -3.507 37.943 -19.981 1.00 17.09 C +ATOM 5633 O HIS D 41 -2.971 37.102 -20.699 1.00 17.17 O +ATOM 5634 CB HIS D 41 -5.471 38.774 -21.200 1.00 18.83 C +ATOM 5635 CG HIS D 41 -6.201 39.868 -21.912 1.00 22.38 C +ATOM 5636 ND1 HIS D 41 -6.703 40.977 -21.266 1.00 22.97 N +ATOM 5637 CD2 HIS D 41 -6.534 40.010 -23.217 1.00 23.03 C +ATOM 5638 CE1 HIS D 41 -7.313 41.756 -22.141 1.00 24.42 C +ATOM 5639 NE2 HIS D 41 -7.225 41.191 -23.333 1.00 25.53 N +ATOM 5640 N ASN D 42 -3.583 37.815 -18.661 1.00 17.39 N +ATOM 5641 CA ASN D 42 -3.069 36.622 -18.003 1.00 16.64 C +ATOM 5642 C ASN D 42 -3.704 36.450 -16.628 1.00 16.12 C +ATOM 5643 O ASN D 42 -4.008 37.427 -15.941 1.00 15.03 O +ATOM 5644 CB ASN D 42 -1.528 36.648 -17.934 1.00 19.02 C +ATOM 5645 CG ASN D 42 -0.981 37.581 -16.868 1.00 18.90 C +ATOM 5646 OD1 ASN D 42 -0.508 37.131 -15.822 1.00 20.94 O +ATOM 5647 ND2 ASN D 42 -1.026 38.881 -17.133 1.00 20.39 N +ATOM 5648 N THR D 43 -3.939 35.198 -16.246 1.00 15.38 N +ATOM 5649 CA THR D 43 -4.557 34.897 -14.961 1.00 15.42 C +ATOM 5650 C THR D 43 -3.674 33.957 -14.162 1.00 15.04 C +ATOM 5651 O THR D 43 -2.786 33.305 -14.711 1.00 15.73 O +ATOM 5652 CB THR D 43 -5.940 34.237 -15.154 1.00 18.33 C +ATOM 5653 OG1 THR D 43 -5.807 33.112 -16.030 1.00 17.33 O +ATOM 5654 CG2 THR D 43 -6.930 35.227 -15.757 1.00 18.03 C +ATOM 5655 N VAL D 44 -3.915 33.891 -12.860 1.00 15.17 N +ATOM 5656 CA VAL D 44 -3.127 33.027 -12.001 1.00 14.51 C +ATOM 5657 C VAL D 44 -3.916 32.601 -10.769 1.00 15.17 C +ATOM 5658 O VAL D 44 -4.697 33.377 -10.212 1.00 14.94 O +ATOM 5659 CB VAL D 44 -1.816 33.726 -11.567 1.00 14.46 C +ATOM 5660 CG1 VAL D 44 -2.133 35.009 -10.807 1.00 15.41 C +ATOM 5661 CG2 VAL D 44 -0.978 32.778 -10.709 1.00 16.56 C +ATOM 5662 N LYS D 45 -3.704 31.358 -10.356 1.00 15.25 N +ATOM 5663 CA LYS D 45 -4.383 30.792 -9.202 1.00 17.28 C +ATOM 5664 C LYS D 45 -3.315 30.374 -8.192 1.00 15.89 C +ATOM 5665 O LYS D 45 -2.418 29.597 -8.520 1.00 12.47 O +ATOM 5666 CB LYS D 45 -5.213 29.593 -9.661 1.00 19.02 C +ATOM 5667 CG LYS D 45 -5.995 29.894 -10.940 1.00 22.38 C +ATOM 5668 CD LYS D 45 -6.815 28.718 -11.442 1.00 25.07 C +ATOM 5669 CE LYS D 45 -7.512 29.076 -12.753 1.00 26.55 C +ATOM 5670 NZ LYS D 45 -8.464 28.027 -13.207 1.00 30.33 N +ATOM 5671 N LEU D 46 -3.412 30.900 -6.971 1.00 15.06 N +ATOM 5672 CA LEU D 46 -2.436 30.606 -5.927 1.00 15.02 C +ATOM 5673 C LEU D 46 -3.001 29.856 -4.725 1.00 15.01 C +ATOM 5674 O LEU D 46 -4.197 29.908 -4.439 1.00 12.81 O +ATOM 5675 CB LEU D 46 -1.797 31.905 -5.405 1.00 15.42 C +ATOM 5676 CG LEU D 46 -1.065 32.861 -6.356 1.00 15.40 C +ATOM 5677 CD1 LEU D 46 -0.069 32.078 -7.191 1.00 14.50 C +ATOM 5678 CD2 LEU D 46 -2.062 33.588 -7.255 1.00 15.65 C +ATOM 5679 N LYS D 47 -2.106 29.171 -4.020 1.00 15.10 N +ATOM 5680 CA LYS D 47 -2.445 28.435 -2.813 1.00 16.25 C +ATOM 5681 C LYS D 47 -1.302 28.607 -1.812 1.00 17.11 C +ATOM 5682 O LYS D 47 -0.140 28.349 -2.133 1.00 16.71 O +ATOM 5683 CB LYS D 47 -2.635 26.948 -3.115 1.00 18.95 C +ATOM 5684 CG LYS D 47 -2.851 26.108 -1.866 1.00 22.52 C +ATOM 5685 CD LYS D 47 -3.001 24.628 -2.187 1.00 27.70 C +ATOM 5686 CE LYS D 47 -3.151 23.813 -0.904 1.00 28.52 C +ATOM 5687 NZ LYS D 47 -3.264 22.349 -1.169 1.00 30.43 N +ATOM 5688 N VAL D 48 -1.626 29.067 -0.609 1.00 16.72 N +ATOM 5689 CA VAL D 48 -0.614 29.236 0.425 1.00 16.66 C +ATOM 5690 C VAL D 48 -0.355 27.833 0.953 1.00 18.46 C +ATOM 5691 O VAL D 48 -1.175 27.287 1.686 1.00 19.27 O +ATOM 5692 CB VAL D 48 -1.127 30.130 1.579 1.00 15.94 C +ATOM 5693 CG1 VAL D 48 -0.175 30.055 2.765 1.00 15.39 C +ATOM 5694 CG2 VAL D 48 -1.254 31.573 1.097 1.00 18.87 C +ATOM 5695 N THR D 49 0.778 27.254 0.566 1.00 19.19 N +ATOM 5696 CA THR D 49 1.133 25.900 0.981 1.00 20.10 C +ATOM 5697 C THR D 49 1.836 25.825 2.327 1.00 20.64 C +ATOM 5698 O THR D 49 1.929 24.746 2.924 1.00 21.27 O +ATOM 5699 CB THR D 49 2.026 25.218 -0.071 1.00 21.11 C +ATOM 5700 OG1 THR D 49 3.175 26.038 -0.326 1.00 22.18 O +ATOM 5701 CG2 THR D 49 1.255 25.013 -1.364 1.00 21.65 C +ATOM 5702 N LYS D 50 2.330 26.964 2.804 1.00 18.43 N +ATOM 5703 CA LYS D 50 3.020 27.016 4.087 1.00 19.17 C +ATOM 5704 C LYS D 50 2.917 28.398 4.713 1.00 17.07 C +ATOM 5705 O LYS D 50 3.080 29.406 4.033 1.00 16.87 O +ATOM 5706 CB LYS D 50 4.499 26.651 3.914 1.00 21.08 C +ATOM 5707 CG LYS D 50 5.280 26.635 5.222 1.00 25.51 C +ATOM 5708 CD LYS D 50 6.710 26.148 5.022 1.00 27.15 C +ATOM 5709 CE LYS D 50 7.450 26.058 6.353 1.00 28.50 C +ATOM 5710 NZ LYS D 50 8.811 25.465 6.186 1.00 31.47 N +ATOM 5711 N GLY D 51 2.645 28.445 6.012 1.00 16.65 N +ATOM 5712 CA GLY D 51 2.550 29.726 6.692 1.00 17.42 C +ATOM 5713 C GLY D 51 1.175 30.362 6.633 1.00 18.04 C +ATOM 5714 O GLY D 51 1.007 31.526 7.008 1.00 19.11 O +ATOM 5715 N GLY D 52 0.190 29.608 6.157 1.00 17.95 N +ATOM 5716 CA GLY D 52 -1.162 30.130 6.082 1.00 17.31 C +ATOM 5717 C GLY D 52 -1.908 29.831 7.371 1.00 19.40 C +ATOM 5718 O GLY D 52 -1.581 28.860 8.049 1.00 20.51 O +ATOM 5719 N PRO D 53 -2.904 30.648 7.750 1.00 19.73 N +ATOM 5720 CA PRO D 53 -3.356 31.839 7.024 1.00 18.89 C +ATOM 5721 C PRO D 53 -2.353 32.969 7.213 1.00 19.47 C +ATOM 5722 O PRO D 53 -1.822 33.156 8.306 1.00 18.90 O +ATOM 5723 CB PRO D 53 -4.702 32.142 7.675 1.00 18.45 C +ATOM 5724 CG PRO D 53 -4.451 31.770 9.101 1.00 19.59 C +ATOM 5725 CD PRO D 53 -3.706 30.446 8.972 1.00 20.11 C +ATOM 5726 N LEU D 54 -2.091 33.716 6.148 1.00 18.52 N +ATOM 5727 CA LEU D 54 -1.137 34.814 6.219 1.00 16.92 C +ATOM 5728 C LEU D 54 -1.613 35.890 7.196 1.00 16.60 C +ATOM 5729 O LEU D 54 -2.798 36.221 7.249 1.00 16.01 O +ATOM 5730 CB LEU D 54 -0.922 35.407 4.825 1.00 16.77 C +ATOM 5731 CG LEU D 54 -0.447 34.422 3.741 1.00 16.35 C +ATOM 5732 CD1 LEU D 54 -0.339 35.153 2.416 1.00 17.64 C +ATOM 5733 CD2 LEU D 54 0.894 33.808 4.116 1.00 17.14 C +ATOM 5734 N PRO D 55 -0.689 36.435 8.001 1.00 16.64 N +ATOM 5735 CA PRO D 55 -1.048 37.471 8.971 1.00 16.74 C +ATOM 5736 C PRO D 55 -0.934 38.882 8.402 1.00 16.99 C +ATOM 5737 O PRO D 55 -0.823 39.851 9.149 1.00 19.19 O +ATOM 5738 CB PRO D 55 -0.066 37.219 10.103 1.00 16.13 C +ATOM 5739 CG PRO D 55 1.180 36.842 9.362 1.00 18.50 C +ATOM 5740 CD PRO D 55 0.678 35.930 8.249 1.00 16.37 C +ATOM 5741 N PHE D 56 -0.967 38.999 7.078 1.00 16.15 N +ATOM 5742 CA PHE D 56 -0.853 40.305 6.439 1.00 14.98 C +ATOM 5743 C PHE D 56 -1.688 40.347 5.172 1.00 14.65 C +ATOM 5744 O PHE D 56 -2.135 39.311 4.679 1.00 15.51 O +ATOM 5745 CB PHE D 56 0.617 40.602 6.120 1.00 14.98 C +ATOM 5746 CG PHE D 56 1.269 39.562 5.254 1.00 15.99 C +ATOM 5747 CD1 PHE D 56 1.095 39.577 3.873 1.00 15.60 C +ATOM 5748 CD2 PHE D 56 2.040 38.551 5.821 1.00 16.23 C +ATOM 5749 CE1 PHE D 56 1.679 38.601 3.070 1.00 18.11 C +ATOM 5750 CE2 PHE D 56 2.630 37.568 5.025 1.00 15.54 C +ATOM 5751 CZ PHE D 56 2.450 37.592 3.648 1.00 17.01 C +ATOM 5752 N ALA D 57 -1.890 41.550 4.646 1.00 14.28 N +ATOM 5753 CA ALA D 57 -2.686 41.741 3.441 1.00 12.84 C +ATOM 5754 C ALA D 57 -2.151 41.002 2.223 1.00 13.61 C +ATOM 5755 O ALA D 57 -0.980 41.130 1.858 1.00 12.49 O +ATOM 5756 CB ALA D 57 -2.801 43.230 3.130 1.00 14.80 C +ATOM 5757 N TRP D 58 -3.020 40.235 1.577 1.00 12.67 N +ATOM 5758 CA TRP D 58 -2.616 39.501 0.390 1.00 13.69 C +ATOM 5759 C TRP D 58 -2.141 40.443 -0.710 1.00 13.65 C +ATOM 5760 O TRP D 58 -1.227 40.116 -1.466 1.00 15.01 O +ATOM 5761 CB TRP D 58 -3.779 38.650 -0.143 1.00 14.39 C +ATOM 5762 CG TRP D 58 -3.463 38.011 -1.455 1.00 15.31 C +ATOM 5763 CD1 TRP D 58 -3.664 38.538 -2.702 1.00 15.48 C +ATOM 5764 CD2 TRP D 58 -2.804 36.758 -1.651 1.00 15.14 C +ATOM 5765 NE1 TRP D 58 -3.163 37.692 -3.661 1.00 15.52 N +ATOM 5766 CE2 TRP D 58 -2.630 36.590 -3.043 1.00 15.70 C +ATOM 5767 CE3 TRP D 58 -2.338 35.760 -0.783 1.00 14.75 C +ATOM 5768 CZ2 TRP D 58 -2.009 35.462 -3.590 1.00 16.42 C +ATOM 5769 CZ3 TRP D 58 -1.719 34.638 -1.326 1.00 13.82 C +ATOM 5770 CH2 TRP D 58 -1.560 34.501 -2.718 1.00 15.59 C +ATOM 5771 N ASP D 59 -2.756 41.619 -0.788 1.00 14.04 N +ATOM 5772 CA ASP D 59 -2.425 42.602 -1.816 1.00 12.92 C +ATOM 5773 C ASP D 59 -0.943 42.901 -2.081 1.00 12.41 C +ATOM 5774 O ASP D 59 -0.568 43.162 -3.224 1.00 11.03 O +ATOM 5775 CB ASP D 59 -3.148 43.925 -1.535 1.00 12.62 C +ATOM 5776 CG ASP D 59 -4.654 43.830 -1.737 1.00 13.14 C +ATOM 5777 OD1 ASP D 59 -5.098 43.090 -2.642 1.00 14.30 O +ATOM 5778 OD2 ASP D 59 -5.397 44.516 -1.005 1.00 14.46 O +ATOM 5779 N ILE D 60 -0.098 42.881 -1.053 1.00 11.70 N +ATOM 5780 CA ILE D 60 1.314 43.178 -1.282 1.00 11.63 C +ATOM 5781 C ILE D 60 2.030 42.100 -2.093 1.00 12.78 C +ATOM 5782 O ILE D 60 3.117 42.336 -2.627 1.00 12.64 O +ATOM 5783 CB ILE D 60 2.102 43.422 0.053 1.00 11.47 C +ATOM 5784 CG1 ILE D 60 2.258 42.124 0.844 1.00 13.30 C +ATOM 5785 CG2 ILE D 60 1.393 44.481 0.886 1.00 12.01 C +ATOM 5786 CD1 ILE D 60 3.126 42.267 2.086 1.00 15.28 C +ATOM 5787 N LEU D 61 1.410 40.929 -2.203 1.00 13.21 N +ATOM 5788 CA LEU D 61 1.991 39.811 -2.943 1.00 13.15 C +ATOM 5789 C LEU D 61 1.461 39.658 -4.368 1.00 13.40 C +ATOM 5790 O LEU D 61 2.142 39.102 -5.226 1.00 15.50 O +ATOM 5791 CB LEU D 61 1.723 38.496 -2.208 1.00 12.54 C +ATOM 5792 CG LEU D 61 2.118 38.350 -0.740 1.00 12.01 C +ATOM 5793 CD1 LEU D 61 1.644 36.992 -0.253 1.00 13.26 C +ATOM 5794 CD2 LEU D 61 3.624 38.481 -0.576 1.00 9.99 C +ATOM 5795 N SER D 62 0.252 40.148 -4.628 1.00 12.67 N +ATOM 5796 CA SER D 62 -0.342 39.981 -5.947 1.00 14.24 C +ATOM 5797 C SER D 62 0.497 40.421 -7.149 1.00 13.13 C +ATOM 5798 O SER D 62 0.558 39.712 -8.155 1.00 14.10 O +ATOM 5799 CB SER D 62 -1.728 40.643 -5.993 1.00 13.67 C +ATOM 5800 OG SER D 62 -1.658 42.047 -5.841 1.00 14.92 O +ATOM 5801 N PRO D 63 1.165 41.582 -7.065 1.00 12.84 N +ATOM 5802 CA PRO D 63 1.974 42.031 -8.203 1.00 13.91 C +ATOM 5803 C PRO D 63 3.288 41.272 -8.379 1.00 14.61 C +ATOM 5804 O PRO D 63 4.056 41.574 -9.288 1.00 12.21 O +ATOM 5805 CB PRO D 63 2.233 43.510 -7.893 1.00 13.34 C +ATOM 5806 CG PRO D 63 1.154 43.876 -6.925 1.00 14.04 C +ATOM 5807 CD PRO D 63 1.076 42.648 -6.055 1.00 12.53 C +ATOM 5808 N GLN D 64 3.565 40.305 -7.511 1.00 14.38 N +ATOM 5809 CA GLN D 64 4.814 39.559 -7.629 1.00 16.91 C +ATOM 5810 C GLN D 64 4.547 38.273 -8.373 1.00 17.80 C +ATOM 5811 O GLN D 64 5.468 37.552 -8.758 1.00 17.12 O +ATOM 5812 CB GLN D 64 5.386 39.215 -6.248 1.00 17.52 C +ATOM 5813 CG GLN D 64 5.239 40.298 -5.182 1.00 15.67 C +ATOM 5814 CD GLN D 64 5.520 41.693 -5.702 1.00 16.61 C +ATOM 5815 OE1 GLN D 64 6.324 41.883 -6.616 1.00 15.31 O +ATOM 5816 NE2 GLN D 64 4.864 42.684 -5.108 1.00 13.71 N +ATOM 5817 N PHE D 65 3.273 37.988 -8.594 1.00 19.74 N +ATOM 5818 CA PHE D 65 2.930 36.754 -9.261 1.00 19.60 C +ATOM 5819 C PHE D 65 2.644 36.814 -10.723 1.00 20.42 C +ATOM 5820 O PHE D 65 2.600 35.905 -11.553 1.00 22.57 O +ATOM 5821 CB PHE D 65 1.651 36.206 -8.640 1.00 18.52 C +ATOM 5822 CG PHE D 65 1.852 35.614 -7.283 1.00 16.53 C +ATOM 5823 CD1 PHE D 65 1.113 36.073 -6.202 1.00 15.52 C +ATOM 5824 CD2 PHE D 65 2.805 34.620 -7.075 1.00 17.41 C +ATOM 5825 CE1 PHE D 65 1.317 35.557 -4.932 1.00 16.04 C +ATOM 5826 CE2 PHE D 65 3.018 34.095 -5.807 1.00 14.75 C +ATOM 5827 CZ PHE D 65 2.272 34.566 -4.732 1.00 16.42 C +HETATM 5828 N1 CRQ D 68 2.485 38.018 -11.361 1.00 22.05 N +HETATM 5829 CA1 CRQ D 68 1.944 39.155 -11.578 1.00 20.35 C +HETATM 5830 CB1 CRQ D 68 0.435 39.318 -11.620 1.00 21.15 C +HETATM 5831 CG1 CRQ D 68 -0.301 38.201 -12.371 1.00 20.07 C +HETATM 5832 C1 CRQ D 68 2.781 40.288 -11.818 1.00 19.88 C +HETATM 5833 N2 CRQ D 68 2.281 41.528 -11.792 1.00 16.59 N +HETATM 5834 N3 CRQ D 68 4.167 40.288 -12.095 1.00 18.80 N +HETATM 5835 C2 CRQ D 68 4.558 41.647 -12.255 1.00 18.31 C +HETATM 5836 O2 CRQ D 68 5.701 42.048 -12.508 1.00 17.34 O +HETATM 5837 CA2 CRQ D 68 3.305 42.398 -12.044 1.00 19.01 C +HETATM 5838 CA3 CRQ D 68 5.115 39.081 -12.177 1.00 20.54 C +HETATM 5839 CB2 CRQ D 68 3.253 43.820 -12.116 1.00 18.42 C +HETATM 5840 CG2 CRQ D 68 2.193 44.742 -11.924 1.00 19.42 C +HETATM 5841 CD1 CRQ D 68 0.812 44.396 -11.539 1.00 18.08 C +HETATM 5842 CD2 CRQ D 68 2.480 46.175 -12.110 1.00 18.58 C +HETATM 5843 CE1 CRQ D 68 -0.170 45.369 -11.366 1.00 15.55 C +HETATM 5844 CE2 CRQ D 68 1.497 47.149 -11.940 1.00 17.00 C +HETATM 5845 CZ CRQ D 68 0.116 46.802 -11.559 1.00 17.12 C +HETATM 5846 OH CRQ D 68 -0.765 47.678 -11.407 1.00 16.26 O +HETATM 5847 OE1 CRQ D 68 -2.452 38.816 -11.632 1.00 18.05 O +HETATM 5848 C3 CRQ D 68 4.926 37.798 -13.065 1.00 22.47 C +HETATM 5849 O3 CRQ D 68 6.006 37.382 -13.450 1.00 20.56 O +HETATM 5850 CD3 CRQ D 68 -1.810 38.254 -12.515 1.00 18.58 C +HETATM 5851 NE1 CRQ D 68 -2.401 37.664 -13.585 1.00 17.28 N +ATOM 5852 N SER D 69 3.924 38.070 -13.913 1.00 24.31 N +ATOM 5853 CA SER D 69 4.024 38.159 -15.378 1.00 22.73 C +ATOM 5854 C SER D 69 4.260 39.135 -16.527 1.00 22.27 C +ATOM 5855 O SER D 69 3.409 39.138 -17.404 1.00 22.47 O +ATOM 5856 CB SER D 69 2.802 37.344 -15.862 1.00 25.06 C +ATOM 5857 OG SER D 69 3.204 36.031 -16.198 1.00 24.64 O +ATOM 5858 N LYS D 70 5.371 39.866 -16.635 1.00 20.21 N +ATOM 5859 CA LYS D 70 5.503 40.808 -17.764 1.00 18.67 C +ATOM 5860 C LYS D 70 5.794 40.314 -19.195 1.00 16.94 C +ATOM 5861 O LYS D 70 5.922 41.120 -20.108 1.00 16.64 O +ATOM 5862 CB LYS D 70 6.475 41.923 -17.385 1.00 21.66 C +ATOM 5863 CG LYS D 70 5.960 42.717 -16.202 1.00 21.68 C +ATOM 5864 CD LYS D 70 4.648 43.410 -16.550 1.00 25.49 C +ATOM 5865 CE LYS D 70 4.154 44.294 -15.413 1.00 29.13 C +ATOM 5866 NZ LYS D 70 2.834 44.906 -15.753 1.00 27.64 N +ATOM 5867 N VAL D 71 5.893 39.007 -19.409 1.00 15.81 N +ATOM 5868 CA VAL D 71 6.106 38.488 -20.761 1.00 15.72 C +ATOM 5869 C VAL D 71 4.728 38.512 -21.445 1.00 14.78 C +ATOM 5870 O VAL D 71 4.607 38.314 -22.655 1.00 16.83 O +ATOM 5871 CB VAL D 71 6.637 37.035 -20.732 1.00 15.53 C +ATOM 5872 CG1 VAL D 71 5.572 36.096 -20.186 1.00 12.46 C +ATOM 5873 CG2 VAL D 71 7.080 36.619 -22.114 1.00 14.49 C +ATOM 5874 N TYR D 72 3.690 38.779 -20.652 1.00 15.26 N +ATOM 5875 CA TYR D 72 2.323 38.836 -21.158 1.00 15.73 C +ATOM 5876 C TYR D 72 1.876 40.264 -21.462 1.00 15.89 C +ATOM 5877 O TYR D 72 0.691 40.503 -21.682 1.00 18.40 O +ATOM 5878 CB TYR D 72 1.345 38.219 -20.150 1.00 14.31 C +ATOM 5879 CG TYR D 72 1.402 36.712 -20.037 1.00 15.85 C +ATOM 5880 CD1 TYR D 72 2.278 36.087 -19.151 1.00 15.69 C +ATOM 5881 CD2 TYR D 72 0.566 35.910 -20.813 1.00 17.12 C +ATOM 5882 CE1 TYR D 72 2.318 34.690 -19.035 1.00 16.81 C +ATOM 5883 CE2 TYR D 72 0.597 34.519 -20.709 1.00 17.64 C +ATOM 5884 CZ TYR D 72 1.473 33.916 -19.816 1.00 17.44 C +ATOM 5885 OH TYR D 72 1.485 32.541 -19.693 1.00 19.35 O +ATOM 5886 N VAL D 73 2.811 41.211 -21.461 1.00 15.11 N +ATOM 5887 CA VAL D 73 2.467 42.600 -21.756 1.00 12.79 C +ATOM 5888 C VAL D 73 2.335 42.771 -23.266 1.00 14.94 C +ATOM 5889 O VAL D 73 3.236 42.399 -24.021 1.00 14.52 O +ATOM 5890 CB VAL D 73 3.549 43.591 -21.248 1.00 12.66 C +ATOM 5891 CG1 VAL D 73 3.149 45.023 -21.602 1.00 13.45 C +ATOM 5892 CG2 VAL D 73 3.716 43.465 -19.738 1.00 10.58 C +ATOM 5893 N LYS D 74 1.206 43.312 -23.710 1.00 13.10 N +ATOM 5894 CA LYS D 74 1.000 43.533 -25.135 1.00 14.53 C +ATOM 5895 C LYS D 74 1.854 44.730 -25.529 1.00 14.69 C +ATOM 5896 O LYS D 74 1.798 45.767 -24.875 1.00 13.19 O +ATOM 5897 CB LYS D 74 -0.470 43.835 -25.425 1.00 15.29 C +ATOM 5898 CG LYS D 74 -0.771 44.093 -26.899 1.00 14.37 C +ATOM 5899 CD LYS D 74 -2.247 44.377 -27.111 1.00 16.54 C +ATOM 5900 CE LYS D 74 -2.567 44.563 -28.588 1.00 19.03 C +ATOM 5901 NZ LYS D 74 -4.010 44.870 -28.820 1.00 20.55 N +ATOM 5902 N HIS D 75 2.648 44.583 -26.584 1.00 15.25 N +ATOM 5903 CA HIS D 75 3.505 45.669 -27.047 1.00 17.36 C +ATOM 5904 C HIS D 75 3.251 46.008 -28.509 1.00 18.75 C +ATOM 5905 O HIS D 75 3.038 45.114 -29.331 1.00 20.16 O +ATOM 5906 CB HIS D 75 4.987 45.297 -26.902 1.00 16.33 C +ATOM 5907 CG HIS D 75 5.527 45.442 -25.511 1.00 16.41 C +ATOM 5908 ND1 HIS D 75 5.313 44.505 -24.524 1.00 16.57 N +ATOM 5909 CD2 HIS D 75 6.282 46.416 -24.948 1.00 15.28 C +ATOM 5910 CE1 HIS D 75 5.913 44.895 -23.413 1.00 15.63 C +ATOM 5911 NE2 HIS D 75 6.508 46.051 -23.644 1.00 15.72 N +ATOM 5912 N PRO D 76 3.258 47.307 -28.851 1.00 19.15 N +ATOM 5913 CA PRO D 76 3.038 47.726 -30.237 1.00 19.58 C +ATOM 5914 C PRO D 76 4.251 47.249 -31.029 1.00 20.25 C +ATOM 5915 O PRO D 76 5.345 47.104 -30.473 1.00 19.08 O +ATOM 5916 CB PRO D 76 2.986 49.250 -30.138 1.00 18.98 C +ATOM 5917 CG PRO D 76 2.493 49.489 -28.760 1.00 20.81 C +ATOM 5918 CD PRO D 76 3.271 48.476 -27.956 1.00 19.64 C +ATOM 5919 N ALA D 77 4.068 47.013 -32.320 1.00 20.87 N +ATOM 5920 CA ALA D 77 5.157 46.531 -33.154 1.00 21.72 C +ATOM 5921 C ALA D 77 6.403 47.416 -33.131 1.00 21.60 C +ATOM 5922 O ALA D 77 7.517 46.915 -33.278 1.00 23.60 O +ATOM 5923 CB ALA D 77 4.667 46.358 -34.595 1.00 21.87 C +ATOM 5924 N ASP D 78 6.228 48.721 -32.935 1.00 21.34 N +ATOM 5925 CA ASP D 78 7.367 49.634 -32.944 1.00 21.97 C +ATOM 5926 C ASP D 78 8.136 49.754 -31.631 1.00 21.54 C +ATOM 5927 O ASP D 78 9.102 50.518 -31.542 1.00 21.43 O +ATOM 5928 CB ASP D 78 6.922 51.020 -33.417 1.00 22.15 C +ATOM 5929 CG ASP D 78 6.021 51.715 -32.425 1.00 23.32 C +ATOM 5930 OD1 ASP D 78 5.161 51.042 -31.820 1.00 24.06 O +ATOM 5931 OD2 ASP D 78 6.168 52.941 -32.258 1.00 24.67 O +ATOM 5932 N ILE D 79 7.711 49.003 -30.620 1.00 19.27 N +ATOM 5933 CA ILE D 79 8.384 49.006 -29.329 1.00 19.02 C +ATOM 5934 C ILE D 79 8.919 47.604 -29.049 1.00 18.57 C +ATOM 5935 O ILE D 79 8.156 46.663 -28.838 1.00 19.12 O +ATOM 5936 CB ILE D 79 7.427 49.416 -28.188 1.00 19.36 C +ATOM 5937 CG1 ILE D 79 6.947 50.855 -28.406 1.00 18.08 C +ATOM 5938 CG2 ILE D 79 8.143 49.300 -26.841 1.00 19.66 C +ATOM 5939 CD1 ILE D 79 5.985 51.363 -27.342 1.00 18.59 C +ATOM 5940 N PRO D 80 10.248 47.440 -29.064 1.00 18.62 N +ATOM 5941 CA PRO D 80 10.821 46.118 -28.802 1.00 18.25 C +ATOM 5942 C PRO D 80 10.356 45.507 -27.477 1.00 19.37 C +ATOM 5943 O PRO D 80 10.452 46.129 -26.414 1.00 18.61 O +ATOM 5944 CB PRO D 80 12.333 46.368 -28.855 1.00 19.32 C +ATOM 5945 CG PRO D 80 12.477 47.841 -28.660 1.00 20.04 C +ATOM 5946 CD PRO D 80 11.297 48.423 -29.373 1.00 19.59 C +ATOM 5947 N ASP D 81 9.840 44.286 -27.562 1.00 16.84 N +ATOM 5948 CA ASP D 81 9.340 43.566 -26.395 1.00 16.27 C +ATOM 5949 C ASP D 81 10.502 42.798 -25.758 1.00 15.57 C +ATOM 5950 O ASP D 81 10.629 41.587 -25.915 1.00 15.46 O +ATOM 5951 CB ASP D 81 8.237 42.591 -26.822 1.00 16.27 C +ATOM 5952 CG ASP D 81 7.320 42.205 -25.674 1.00 18.87 C +ATOM 5953 OD1 ASP D 81 7.825 42.028 -24.546 1.00 15.33 O +ATOM 5954 OD2 ASP D 81 6.096 42.072 -25.906 1.00 16.35 O +ATOM 5955 N TYR D 82 11.356 43.539 -25.060 1.00 16.16 N +ATOM 5956 CA TYR D 82 12.532 43.017 -24.369 1.00 14.96 C +ATOM 5957 C TYR D 82 12.279 41.675 -23.672 1.00 15.73 C +ATOM 5958 O TYR D 82 13.016 40.708 -23.882 1.00 14.32 O +ATOM 5959 CB TYR D 82 12.992 44.069 -23.350 1.00 15.89 C +ATOM 5960 CG TYR D 82 14.213 43.726 -22.530 1.00 16.37 C +ATOM 5961 CD1 TYR D 82 15.485 43.702 -23.099 1.00 17.16 C +ATOM 5962 CD2 TYR D 82 14.099 43.480 -21.165 1.00 16.72 C +ATOM 5963 CE1 TYR D 82 16.619 43.449 -22.319 1.00 18.28 C +ATOM 5964 CE2 TYR D 82 15.216 43.226 -20.381 1.00 17.33 C +ATOM 5965 CZ TYR D 82 16.471 43.213 -20.955 1.00 18.22 C +ATOM 5966 OH TYR D 82 17.571 42.992 -20.149 1.00 13.86 O +ATOM 5967 N LYS D 83 11.224 41.613 -22.863 1.00 15.29 N +ATOM 5968 CA LYS D 83 10.900 40.403 -22.120 1.00 14.82 C +ATOM 5969 C LYS D 83 10.526 39.185 -22.962 1.00 16.08 C +ATOM 5970 O LYS D 83 10.882 38.060 -22.607 1.00 14.95 O +ATOM 5971 CB LYS D 83 9.823 40.716 -21.077 1.00 15.82 C +ATOM 5972 CG LYS D 83 10.416 41.450 -19.874 1.00 16.66 C +ATOM 5973 CD LYS D 83 9.385 41.910 -18.859 1.00 17.92 C +ATOM 5974 CE LYS D 83 8.816 43.277 -19.207 1.00 17.80 C +ATOM 5975 NZ LYS D 83 7.906 43.238 -20.389 1.00 21.33 N +ATOM 5976 N LYS D 84 9.826 39.390 -24.073 1.00 15.34 N +ATOM 5977 CA LYS D 84 9.483 38.259 -24.938 1.00 16.30 C +ATOM 5978 C LYS D 84 10.720 37.807 -25.721 1.00 16.94 C +ATOM 5979 O LYS D 84 10.924 36.616 -25.970 1.00 17.02 O +ATOM 5980 CB LYS D 84 8.388 38.634 -25.937 1.00 15.20 C +ATOM 5981 CG LYS D 84 6.986 38.704 -25.363 1.00 14.79 C +ATOM 5982 CD LYS D 84 5.968 38.842 -26.490 1.00 15.95 C +ATOM 5983 CE LYS D 84 4.552 38.968 -25.953 1.00 13.13 C +ATOM 5984 NZ LYS D 84 4.400 40.160 -25.071 1.00 15.18 N +ATOM 5985 N LEU D 85 11.546 38.766 -26.116 1.00 16.84 N +ATOM 5986 CA LEU D 85 12.745 38.448 -26.880 1.00 18.53 C +ATOM 5987 C LEU D 85 13.778 37.671 -26.065 1.00 18.50 C +ATOM 5988 O LEU D 85 14.607 36.963 -26.632 1.00 19.03 O +ATOM 5989 CB LEU D 85 13.375 39.735 -27.411 1.00 18.17 C +ATOM 5990 CG LEU D 85 12.459 40.630 -28.251 1.00 18.02 C +ATOM 5991 CD1 LEU D 85 13.125 41.976 -28.458 1.00 14.98 C +ATOM 5992 CD2 LEU D 85 12.150 39.961 -29.589 1.00 19.22 C +ATOM 5993 N SER D 86 13.720 37.794 -24.741 1.00 17.43 N +ATOM 5994 CA SER D 86 14.676 37.111 -23.866 1.00 18.30 C +ATOM 5995 C SER D 86 14.530 35.594 -23.874 1.00 18.54 C +ATOM 5996 O SER D 86 15.455 34.875 -23.503 1.00 18.90 O +ATOM 5997 CB SER D 86 14.535 37.603 -22.423 1.00 16.27 C +ATOM 5998 OG SER D 86 13.393 37.033 -21.801 1.00 16.11 O +ATOM 5999 N PHE D 87 13.368 35.100 -24.280 1.00 19.94 N +ATOM 6000 CA PHE D 87 13.164 33.661 -24.297 1.00 20.33 C +ATOM 6001 C PHE D 87 13.759 33.049 -25.556 1.00 20.48 C +ATOM 6002 O PHE D 87 14.046 33.758 -26.526 1.00 21.31 O +ATOM 6003 CB PHE D 87 11.675 33.331 -24.154 1.00 20.59 C +ATOM 6004 CG PHE D 87 11.126 33.624 -22.782 1.00 19.87 C +ATOM 6005 CD1 PHE D 87 11.173 32.654 -21.782 1.00 18.74 C +ATOM 6006 CD2 PHE D 87 10.605 34.879 -22.474 1.00 19.60 C +ATOM 6007 CE1 PHE D 87 10.709 32.927 -20.496 1.00 17.92 C +ATOM 6008 CE2 PHE D 87 10.135 35.162 -21.184 1.00 17.70 C +ATOM 6009 CZ PHE D 87 10.190 34.183 -20.198 1.00 17.25 C +ATOM 6010 N PRO D 88 13.913 31.715 -25.580 1.00 19.63 N +ATOM 6011 CA PRO D 88 13.585 30.728 -24.545 1.00 19.24 C +ATOM 6012 C PRO D 88 14.347 30.706 -23.213 1.00 19.67 C +ATOM 6013 O PRO D 88 13.841 30.153 -22.236 1.00 20.08 O +ATOM 6014 CB PRO D 88 13.726 29.410 -25.296 1.00 19.23 C +ATOM 6015 CG PRO D 88 14.910 29.680 -26.150 1.00 19.09 C +ATOM 6016 CD PRO D 88 14.614 31.064 -26.704 1.00 19.37 C +ATOM 6017 N GLU D 89 15.548 31.275 -23.151 1.00 20.73 N +ATOM 6018 CA GLU D 89 16.296 31.249 -21.890 1.00 21.88 C +ATOM 6019 C GLU D 89 15.508 31.959 -20.792 1.00 20.81 C +ATOM 6020 O GLU D 89 15.394 31.459 -19.670 1.00 22.73 O +ATOM 6021 CB GLU D 89 17.683 31.892 -22.052 1.00 23.84 C +ATOM 6022 CG GLU D 89 18.509 31.871 -20.763 1.00 30.24 C +ATOM 6023 CD GLU D 89 19.975 32.244 -20.967 1.00 32.78 C +ATOM 6024 OE1 GLU D 89 20.250 33.299 -21.577 1.00 35.30 O +ATOM 6025 OE2 GLU D 89 20.852 31.483 -20.502 1.00 32.57 O +ATOM 6026 N GLY D 90 14.954 33.118 -21.126 1.00 18.68 N +ATOM 6027 CA GLY D 90 14.164 33.855 -20.163 1.00 17.97 C +ATOM 6028 C GLY D 90 14.858 35.069 -19.580 1.00 16.74 C +ATOM 6029 O GLY D 90 15.883 35.528 -20.086 1.00 14.68 O +ATOM 6030 N PHE D 91 14.283 35.585 -18.503 1.00 16.46 N +ATOM 6031 CA PHE D 91 14.822 36.755 -17.832 1.00 15.73 C +ATOM 6032 C PHE D 91 14.557 36.678 -16.341 1.00 16.22 C +ATOM 6033 O PHE D 91 13.777 35.852 -15.873 1.00 17.12 O +ATOM 6034 CB PHE D 91 14.173 38.033 -18.389 1.00 15.60 C +ATOM 6035 CG PHE D 91 12.701 38.157 -18.077 1.00 14.42 C +ATOM 6036 CD1 PHE D 91 11.761 37.421 -18.796 1.00 14.88 C +ATOM 6037 CD2 PHE D 91 12.257 39.005 -17.064 1.00 12.52 C +ATOM 6038 CE1 PHE D 91 10.399 37.526 -18.512 1.00 12.34 C +ATOM 6039 CE2 PHE D 91 10.889 39.123 -16.769 1.00 8.43 C +ATOM 6040 CZ PHE D 91 9.963 38.385 -17.493 1.00 12.28 C +ATOM 6041 N LYS D 92 15.228 37.551 -15.602 1.00 16.06 N +ATOM 6042 CA LYS D 92 15.061 37.639 -14.166 1.00 15.54 C +ATOM 6043 C LYS D 92 14.595 39.059 -13.917 1.00 15.02 C +ATOM 6044 O LYS D 92 14.868 39.956 -14.721 1.00 13.59 O +ATOM 6045 CB LYS D 92 16.395 37.436 -13.451 1.00 15.56 C +ATOM 6046 CG LYS D 92 17.041 36.081 -13.671 1.00 15.55 C +ATOM 6047 CD LYS D 92 18.370 36.005 -12.938 1.00 18.57 C +ATOM 6048 CE LYS D 92 19.006 34.628 -13.081 1.00 20.02 C +ATOM 6049 NZ LYS D 92 20.303 34.550 -12.353 1.00 24.37 N +ATOM 6050 N TRP D 93 13.871 39.265 -12.825 1.00 14.21 N +ATOM 6051 CA TRP D 93 13.448 40.609 -12.477 1.00 13.23 C +ATOM 6052 C TRP D 93 13.537 40.776 -10.968 1.00 12.94 C +ATOM 6053 O TRP D 93 13.319 39.832 -10.206 1.00 13.98 O +ATOM 6054 CB TRP D 93 12.028 40.931 -13.003 1.00 12.32 C +ATOM 6055 CG TRP D 93 10.875 40.147 -12.430 1.00 14.77 C +ATOM 6056 CD1 TRP D 93 10.266 39.055 -12.985 1.00 14.49 C +ATOM 6057 CD2 TRP D 93 10.156 40.434 -11.220 1.00 15.03 C +ATOM 6058 NE1 TRP D 93 9.210 38.649 -12.199 1.00 16.52 N +ATOM 6059 CE2 TRP D 93 9.122 39.477 -11.110 1.00 15.12 C +ATOM 6060 CE3 TRP D 93 10.285 41.408 -10.219 1.00 14.02 C +ATOM 6061 CZ2 TRP D 93 8.220 39.465 -10.036 1.00 16.14 C +ATOM 6062 CZ3 TRP D 93 9.388 41.397 -9.150 1.00 15.45 C +ATOM 6063 CH2 TRP D 93 8.369 40.428 -9.068 1.00 15.18 C +ATOM 6064 N GLU D 94 13.916 41.968 -10.536 1.00 13.39 N +ATOM 6065 CA GLU D 94 14.022 42.248 -9.115 1.00 12.66 C +ATOM 6066 C GLU D 94 13.229 43.513 -8.869 1.00 13.57 C +ATOM 6067 O GLU D 94 12.897 44.241 -9.810 1.00 12.33 O +ATOM 6068 CB GLU D 94 15.493 42.375 -8.708 1.00 14.15 C +ATOM 6069 CG GLU D 94 16.265 41.080 -9.006 1.00 14.64 C +ATOM 6070 CD GLU D 94 17.641 41.015 -8.368 1.00 16.04 C +ATOM 6071 OE1 GLU D 94 18.384 42.012 -8.451 1.00 14.36 O +ATOM 6072 OE2 GLU D 94 17.984 39.953 -7.794 1.00 15.74 O +ATOM 6073 N ARG D 95 12.908 43.784 -7.615 1.00 13.23 N +ATOM 6074 CA ARG D 95 12.081 44.939 -7.349 1.00 13.82 C +ATOM 6075 C ARG D 95 12.131 45.422 -5.914 1.00 13.82 C +ATOM 6076 O ARG D 95 12.395 44.652 -4.994 1.00 12.84 O +ATOM 6077 CB ARG D 95 10.638 44.574 -7.728 1.00 12.61 C +ATOM 6078 CG ARG D 95 9.544 45.480 -7.187 1.00 11.24 C +ATOM 6079 CD ARG D 95 8.181 44.940 -7.601 1.00 13.85 C +ATOM 6080 NE ARG D 95 8.019 44.922 -9.053 1.00 13.64 N +ATOM 6081 CZ ARG D 95 7.114 44.190 -9.698 1.00 16.25 C +ATOM 6082 NH1 ARG D 95 6.287 43.403 -9.019 1.00 16.81 N +ATOM 6083 NH2 ARG D 95 7.031 44.246 -11.023 1.00 15.70 N +ATOM 6084 N VAL D 96 11.879 46.715 -5.745 1.00 12.54 N +ATOM 6085 CA VAL D 96 11.823 47.325 -4.431 1.00 13.57 C +ATOM 6086 C VAL D 96 10.455 47.979 -4.366 1.00 13.67 C +ATOM 6087 O VAL D 96 10.029 48.624 -5.326 1.00 13.03 O +ATOM 6088 CB VAL D 96 12.866 48.454 -4.246 1.00 15.06 C +ATOM 6089 CG1 VAL D 96 12.870 48.907 -2.788 1.00 16.24 C +ATOM 6090 CG2 VAL D 96 14.234 47.987 -4.666 1.00 17.48 C +ATOM 6091 N MET D 97 9.754 47.788 -3.257 1.00 12.79 N +ATOM 6092 CA MET D 97 8.462 48.424 -3.059 1.00 11.46 C +ATOM 6093 C MET D 97 8.634 49.247 -1.795 1.00 13.04 C +ATOM 6094 O MET D 97 8.825 48.688 -0.722 1.00 10.33 O +ATOM 6095 CB MET D 97 7.348 47.397 -2.844 1.00 12.55 C +ATOM 6096 CG MET D 97 6.895 46.658 -4.096 1.00 14.66 C +ATOM 6097 SD MET D 97 5.399 45.701 -3.789 1.00 15.15 S +ATOM 6098 CE MET D 97 6.061 44.383 -2.837 1.00 15.17 C +ATOM 6099 N ASN D 98 8.593 50.569 -1.931 1.00 11.30 N +ATOM 6100 CA ASN D 98 8.735 51.470 -0.791 1.00 12.23 C +ATOM 6101 C ASN D 98 7.348 51.941 -0.355 1.00 11.80 C +ATOM 6102 O ASN D 98 6.696 52.711 -1.060 1.00 11.94 O +ATOM 6103 CB ASN D 98 9.603 52.675 -1.174 1.00 12.04 C +ATOM 6104 CG ASN D 98 11.059 52.296 -1.411 1.00 11.71 C +ATOM 6105 OD1 ASN D 98 11.712 51.725 -0.536 1.00 12.76 O +ATOM 6106 ND2 ASN D 98 11.573 52.613 -2.593 1.00 15.19 N +ATOM 6107 N PHE D 99 6.898 51.472 0.805 1.00 10.84 N +ATOM 6108 CA PHE D 99 5.579 51.839 1.323 1.00 12.00 C +ATOM 6109 C PHE D 99 5.661 53.136 2.121 1.00 9.92 C +ATOM 6110 O PHE D 99 6.617 53.348 2.853 1.00 10.45 O +ATOM 6111 CB PHE D 99 5.025 50.712 2.204 1.00 11.09 C +ATOM 6112 CG PHE D 99 4.772 49.425 1.455 1.00 13.08 C +ATOM 6113 CD1 PHE D 99 5.825 48.588 1.097 1.00 14.06 C +ATOM 6114 CD2 PHE D 99 3.479 49.062 1.098 1.00 14.59 C +ATOM 6115 CE1 PHE D 99 5.589 47.402 0.389 1.00 14.55 C +ATOM 6116 CE2 PHE D 99 3.231 47.880 0.391 1.00 16.08 C +ATOM 6117 CZ PHE D 99 4.290 47.050 0.038 1.00 13.78 C +ATOM 6118 N GLU D 100 4.647 53.987 1.993 1.00 11.74 N +ATOM 6119 CA GLU D 100 4.650 55.273 2.681 1.00 11.73 C +ATOM 6120 C GLU D 100 4.779 55.251 4.200 1.00 13.13 C +ATOM 6121 O GLU D 100 5.191 56.254 4.787 1.00 13.30 O +ATOM 6122 CB GLU D 100 3.422 56.104 2.283 1.00 12.75 C +ATOM 6123 CG GLU D 100 2.070 55.481 2.589 1.00 15.42 C +ATOM 6124 CD GLU D 100 0.925 56.476 2.427 1.00 15.77 C +ATOM 6125 OE1 GLU D 100 1.146 57.692 2.626 1.00 15.26 O +ATOM 6126 OE2 GLU D 100 -0.201 56.040 2.113 1.00 14.87 O +ATOM 6127 N ASP D 101 4.449 54.134 4.845 1.00 13.38 N +ATOM 6128 CA ASP D 101 4.571 54.087 6.300 1.00 13.49 C +ATOM 6129 C ASP D 101 5.825 53.367 6.782 1.00 14.76 C +ATOM 6130 O ASP D 101 5.908 52.945 7.939 1.00 17.50 O +ATOM 6131 CB ASP D 101 3.308 53.490 6.946 1.00 13.08 C +ATOM 6132 CG ASP D 101 3.044 52.052 6.534 1.00 14.58 C +ATOM 6133 OD1 ASP D 101 3.699 51.554 5.595 1.00 15.24 O +ATOM 6134 OD2 ASP D 101 2.161 51.422 7.152 1.00 13.65 O +ATOM 6135 N GLY D 102 6.806 53.240 5.889 1.00 13.18 N +ATOM 6136 CA GLY D 102 8.069 52.618 6.250 1.00 12.59 C +ATOM 6137 C GLY D 102 8.320 51.209 5.748 1.00 13.13 C +ATOM 6138 O GLY D 102 9.472 50.783 5.647 1.00 13.40 O +ATOM 6139 N GLY D 103 7.258 50.468 5.462 1.00 11.93 N +ATOM 6140 CA GLY D 103 7.443 49.118 4.964 1.00 12.94 C +ATOM 6141 C GLY D 103 8.336 49.115 3.733 1.00 14.13 C +ATOM 6142 O GLY D 103 8.284 50.034 2.915 1.00 14.40 O +ATOM 6143 N VAL D 104 9.182 48.098 3.613 1.00 13.59 N +ATOM 6144 CA VAL D 104 10.059 47.967 2.457 1.00 13.26 C +ATOM 6145 C VAL D 104 10.139 46.497 2.079 1.00 13.06 C +ATOM 6146 O VAL D 104 10.315 45.633 2.938 1.00 11.79 O +ATOM 6147 CB VAL D 104 11.504 48.470 2.730 1.00 13.50 C +ATOM 6148 CG1 VAL D 104 12.384 48.192 1.511 1.00 14.27 C +ATOM 6149 CG2 VAL D 104 11.503 49.960 3.019 1.00 15.03 C +ATOM 6150 N VAL D 105 9.986 46.219 0.789 1.00 12.87 N +ATOM 6151 CA VAL D 105 10.059 44.853 0.285 1.00 12.79 C +ATOM 6152 C VAL D 105 11.004 44.786 -0.903 1.00 12.35 C +ATOM 6153 O VAL D 105 11.023 45.703 -1.721 1.00 11.30 O +ATOM 6154 CB VAL D 105 8.690 44.346 -0.243 1.00 13.01 C +ATOM 6155 CG1 VAL D 105 8.872 42.984 -0.928 1.00 12.70 C +ATOM 6156 CG2 VAL D 105 7.676 44.248 0.884 1.00 12.90 C +ATOM 6157 N THR D 106 11.803 43.721 -0.975 1.00 12.60 N +ATOM 6158 CA THR D 106 12.662 43.496 -2.133 1.00 12.10 C +ATOM 6159 C THR D 106 12.243 42.132 -2.644 1.00 13.09 C +ATOM 6160 O THR D 106 11.942 41.224 -1.863 1.00 13.89 O +ATOM 6161 CB THR D 106 14.192 43.467 -1.838 1.00 12.15 C +ATOM 6162 OG1 THR D 106 14.488 42.489 -0.836 1.00 12.41 O +ATOM 6163 CG2 THR D 106 14.685 44.846 -1.427 1.00 10.69 C +ATOM 6164 N VAL D 107 12.215 42.000 -3.961 1.00 11.66 N +ATOM 6165 CA VAL D 107 11.807 40.764 -4.599 1.00 12.59 C +ATOM 6166 C VAL D 107 12.806 40.406 -5.688 1.00 12.88 C +ATOM 6167 O VAL D 107 13.331 41.285 -6.369 1.00 10.59 O +ATOM 6168 CB VAL D 107 10.425 40.931 -5.263 1.00 13.19 C +ATOM 6169 CG1 VAL D 107 9.894 39.580 -5.719 1.00 15.26 C +ATOM 6170 CG2 VAL D 107 9.466 41.618 -4.303 1.00 13.28 C +ATOM 6171 N THR D 108 13.085 39.115 -5.833 1.00 12.85 N +ATOM 6172 CA THR D 108 13.976 38.649 -6.885 1.00 12.39 C +ATOM 6173 C THR D 108 13.248 37.472 -7.515 1.00 13.18 C +ATOM 6174 O THR D 108 12.683 36.632 -6.812 1.00 11.03 O +ATOM 6175 CB THR D 108 15.365 38.225 -6.351 1.00 12.38 C +ATOM 6176 OG1 THR D 108 16.215 37.922 -7.467 1.00 11.38 O +ATOM 6177 CG2 THR D 108 15.268 36.999 -5.438 1.00 11.81 C +ATOM 6178 N GLN D 109 13.242 37.422 -8.841 1.00 13.10 N +ATOM 6179 CA GLN D 109 12.518 36.373 -9.536 1.00 14.55 C +ATOM 6180 C GLN D 109 13.242 35.899 -10.782 1.00 15.28 C +ATOM 6181 O GLN D 109 13.982 36.652 -11.411 1.00 15.53 O +ATOM 6182 CB GLN D 109 11.124 36.896 -9.914 1.00 12.76 C +ATOM 6183 CG GLN D 109 10.139 35.835 -10.392 1.00 11.19 C +ATOM 6184 CD GLN D 109 10.060 35.731 -11.901 1.00 9.43 C +ATOM 6185 OE1 GLN D 109 11.041 35.983 -12.609 1.00 9.84 O +ATOM 6186 NE2 GLN D 109 8.891 35.337 -12.406 1.00 9.32 N +ATOM 6187 N ASP D 110 13.025 34.637 -11.126 1.00 15.28 N +ATOM 6188 CA ASP D 110 13.627 34.056 -12.315 1.00 15.65 C +ATOM 6189 C ASP D 110 12.502 33.533 -13.187 1.00 15.30 C +ATOM 6190 O ASP D 110 11.575 32.891 -12.694 1.00 15.63 O +ATOM 6191 CB ASP D 110 14.577 32.911 -11.947 1.00 18.70 C +ATOM 6192 CG ASP D 110 15.197 32.257 -13.173 1.00 19.94 C +ATOM 6193 OD1 ASP D 110 14.451 31.674 -13.984 1.00 21.35 O +ATOM 6194 OD2 ASP D 110 16.433 32.327 -13.332 1.00 24.58 O +ATOM 6195 N SER D 111 12.574 33.832 -14.480 1.00 15.64 N +ATOM 6196 CA SER D 111 11.563 33.377 -15.427 1.00 15.58 C +ATOM 6197 C SER D 111 12.223 32.543 -16.511 1.00 14.86 C +ATOM 6198 O SER D 111 13.158 32.987 -17.179 1.00 13.56 O +ATOM 6199 CB SER D 111 10.836 34.570 -16.060 1.00 15.04 C +ATOM 6200 OG SER D 111 10.084 35.279 -15.088 1.00 17.38 O +ATOM 6201 N SER D 112 11.736 31.321 -16.677 1.00 15.39 N +ATOM 6202 CA SER D 112 12.276 30.428 -17.678 1.00 16.38 C +ATOM 6203 C SER D 112 11.130 29.780 -18.440 1.00 18.94 C +ATOM 6204 O SER D 112 9.964 29.895 -18.051 1.00 16.98 O +ATOM 6205 CB SER D 112 13.155 29.356 -17.014 1.00 18.42 C +ATOM 6206 OG SER D 112 12.402 28.547 -16.123 1.00 20.98 O +ATOM 6207 N LEU D 113 11.469 29.115 -19.539 1.00 20.65 N +ATOM 6208 CA LEU D 113 10.487 28.443 -20.375 1.00 21.59 C +ATOM 6209 C LEU D 113 10.855 26.973 -20.424 1.00 23.92 C +ATOM 6210 O LEU D 113 11.984 26.622 -20.765 1.00 21.48 O +ATOM 6211 CB LEU D 113 10.515 29.031 -21.782 1.00 23.23 C +ATOM 6212 CG LEU D 113 9.555 28.460 -22.822 1.00 23.49 C +ATOM 6213 CD1 LEU D 113 8.124 28.551 -22.326 1.00 23.73 C +ATOM 6214 CD2 LEU D 113 9.726 29.230 -24.118 1.00 23.41 C +ATOM 6215 N GLN D 114 9.901 26.112 -20.087 1.00 24.39 N +ATOM 6216 CA GLN D 114 10.162 24.682 -20.080 1.00 27.65 C +ATOM 6217 C GLN D 114 9.006 23.880 -20.665 1.00 27.47 C +ATOM 6218 O GLN D 114 7.871 23.984 -20.207 1.00 27.84 O +ATOM 6219 CB GLN D 114 10.447 24.228 -18.649 1.00 28.62 C +ATOM 6220 CG GLN D 114 10.845 22.771 -18.515 1.00 32.33 C +ATOM 6221 CD GLN D 114 11.354 22.451 -17.123 1.00 34.40 C +ATOM 6222 OE1 GLN D 114 12.315 23.060 -16.650 1.00 36.18 O +ATOM 6223 NE2 GLN D 114 10.711 21.495 -16.458 1.00 34.12 N +ATOM 6224 N ASP D 115 9.308 23.071 -21.674 1.00 29.39 N +ATOM 6225 CA ASP D 115 8.296 22.253 -22.329 1.00 30.38 C +ATOM 6226 C ASP D 115 7.089 23.102 -22.703 1.00 28.91 C +ATOM 6227 O ASP D 115 5.947 22.684 -22.518 1.00 29.73 O +ATOM 6228 CB ASP D 115 7.852 21.109 -21.413 1.00 34.51 C +ATOM 6229 CG ASP D 115 8.972 20.134 -21.110 1.00 38.28 C +ATOM 6230 OD1 ASP D 115 9.586 19.621 -22.070 1.00 40.51 O +ATOM 6231 OD2 ASP D 115 9.234 19.874 -19.914 1.00 41.18 O +ATOM 6232 N GLY D 116 7.350 24.303 -23.212 1.00 26.95 N +ATOM 6233 CA GLY D 116 6.275 25.191 -23.623 1.00 25.72 C +ATOM 6234 C GLY D 116 5.510 25.877 -22.506 1.00 24.56 C +ATOM 6235 O GLY D 116 4.501 26.534 -22.764 1.00 24.41 O +ATOM 6236 N CYS D 117 5.982 25.733 -21.271 1.00 22.60 N +ATOM 6237 CA CYS D 117 5.329 26.346 -20.115 1.00 21.18 C +ATOM 6238 C CYS D 117 6.324 27.259 -19.398 1.00 19.15 C +ATOM 6239 O CYS D 117 7.484 26.894 -19.221 1.00 19.67 O +ATOM 6240 CB CYS D 117 4.836 25.246 -19.164 1.00 22.29 C +ATOM 6241 SG CYS D 117 4.019 25.797 -17.640 1.00 27.10 S +ATOM 6242 N PHE D 118 5.885 28.453 -19.007 1.00 17.95 N +ATOM 6243 CA PHE D 118 6.775 29.372 -18.300 1.00 15.90 C +ATOM 6244 C PHE D 118 6.910 28.907 -16.856 1.00 16.12 C +ATOM 6245 O PHE D 118 5.941 28.447 -16.248 1.00 15.27 O +ATOM 6246 CB PHE D 118 6.222 30.801 -18.292 1.00 17.18 C +ATOM 6247 CG PHE D 118 6.191 31.467 -19.641 1.00 16.86 C +ATOM 6248 CD1 PHE D 118 7.370 31.860 -20.270 1.00 17.62 C +ATOM 6249 CD2 PHE D 118 4.978 31.744 -20.261 1.00 17.63 C +ATOM 6250 CE1 PHE D 118 7.337 32.528 -21.499 1.00 18.43 C +ATOM 6251 CE2 PHE D 118 4.934 32.411 -21.489 1.00 15.85 C +ATOM 6252 CZ PHE D 118 6.115 32.804 -22.108 1.00 18.54 C +ATOM 6253 N ILE D 119 8.111 29.029 -16.305 1.00 14.50 N +ATOM 6254 CA ILE D 119 8.343 28.636 -14.922 1.00 15.23 C +ATOM 6255 C ILE D 119 8.848 29.850 -14.135 1.00 13.15 C +ATOM 6256 O ILE D 119 9.868 30.447 -14.484 1.00 15.12 O +ATOM 6257 CB ILE D 119 9.379 27.497 -14.827 1.00 15.12 C +ATOM 6258 CG1 ILE D 119 8.954 26.317 -15.712 1.00 17.76 C +ATOM 6259 CG2 ILE D 119 9.497 27.028 -13.385 1.00 15.21 C +ATOM 6260 CD1 ILE D 119 7.632 25.674 -15.303 1.00 18.40 C +ATOM 6261 N TYR D 120 8.121 30.207 -13.079 1.00 13.73 N +ATOM 6262 CA TYR D 120 8.458 31.358 -12.241 1.00 11.59 C +ATOM 6263 C TYR D 120 8.866 30.966 -10.830 1.00 13.17 C +ATOM 6264 O TYR D 120 8.158 30.218 -10.160 1.00 14.29 O +ATOM 6265 CB TYR D 120 7.253 32.287 -12.099 1.00 11.85 C +ATOM 6266 CG TYR D 120 6.699 32.874 -13.370 1.00 11.83 C +ATOM 6267 CD1 TYR D 120 7.477 32.984 -14.522 1.00 13.37 C +ATOM 6268 CD2 TYR D 120 5.396 33.370 -13.402 1.00 11.51 C +ATOM 6269 CE1 TYR D 120 6.966 33.583 -15.673 1.00 13.18 C +ATOM 6270 CE2 TYR D 120 4.875 33.965 -14.545 1.00 10.06 C +ATOM 6271 CZ TYR D 120 5.663 34.072 -15.672 1.00 13.26 C +ATOM 6272 OH TYR D 120 5.153 34.698 -16.786 1.00 13.44 O +ATOM 6273 N LYS D 121 9.996 31.495 -10.375 1.00 14.24 N +ATOM 6274 CA LYS D 121 10.477 31.250 -9.022 1.00 15.22 C +ATOM 6275 C LYS D 121 10.662 32.633 -8.413 1.00 14.36 C +ATOM 6276 O LYS D 121 11.388 33.457 -8.968 1.00 11.72 O +ATOM 6277 CB LYS D 121 11.812 30.514 -9.044 1.00 19.72 C +ATOM 6278 CG LYS D 121 12.383 30.262 -7.662 1.00 25.49 C +ATOM 6279 CD LYS D 121 13.736 29.579 -7.761 1.00 30.95 C +ATOM 6280 CE LYS D 121 14.373 29.413 -6.392 1.00 34.20 C +ATOM 6281 NZ LYS D 121 15.699 28.749 -6.510 1.00 36.27 N +ATOM 6282 N VAL D 122 10.007 32.884 -7.284 1.00 13.68 N +ATOM 6283 CA VAL D 122 10.087 34.193 -6.631 1.00 13.44 C +ATOM 6284 C VAL D 122 10.516 34.092 -5.176 1.00 13.10 C +ATOM 6285 O VAL D 122 10.104 33.173 -4.473 1.00 12.75 O +ATOM 6286 CB VAL D 122 8.710 34.901 -6.637 1.00 14.16 C +ATOM 6287 CG1 VAL D 122 8.894 36.411 -6.530 1.00 12.20 C +ATOM 6288 CG2 VAL D 122 7.922 34.518 -7.880 1.00 11.42 C +ATOM 6289 N LYS D 123 11.351 35.035 -4.736 1.00 12.75 N +ATOM 6290 CA LYS D 123 11.793 35.105 -3.341 1.00 12.34 C +ATOM 6291 C LYS D 123 11.397 36.511 -2.893 1.00 12.76 C +ATOM 6292 O LYS D 123 11.605 37.487 -3.618 1.00 9.95 O +ATOM 6293 CB LYS D 123 13.298 34.852 -3.219 1.00 12.66 C +ATOM 6294 CG LYS D 123 13.653 33.380 -3.450 1.00 18.19 C +ATOM 6295 CD LYS D 123 15.066 33.021 -2.981 1.00 21.57 C +ATOM 6296 CE LYS D 123 15.319 31.527 -3.154 1.00 25.45 C +ATOM 6297 NZ LYS D 123 16.685 31.119 -2.722 1.00 27.15 N +ATOM 6298 N PHE D 124 10.836 36.607 -1.693 1.00 11.07 N +ATOM 6299 CA PHE D 124 10.280 37.869 -1.203 1.00 12.31 C +ATOM 6300 C PHE D 124 10.626 38.157 0.260 1.00 11.19 C +ATOM 6301 O PHE D 124 10.470 37.298 1.124 1.00 10.29 O +ATOM 6302 CB PHE D 124 8.758 37.737 -1.411 1.00 11.06 C +ATOM 6303 CG PHE D 124 7.926 38.920 -0.982 1.00 13.35 C +ATOM 6304 CD1 PHE D 124 7.719 39.205 0.366 1.00 11.67 C +ATOM 6305 CD2 PHE D 124 7.222 39.657 -1.935 1.00 11.66 C +ATOM 6306 CE1 PHE D 124 6.816 40.196 0.762 1.00 12.61 C +ATOM 6307 CE2 PHE D 124 6.315 40.651 -1.551 1.00 14.50 C +ATOM 6308 CZ PHE D 124 6.111 40.918 -0.201 1.00 11.69 C +ATOM 6309 N ILE D 125 11.106 39.363 0.540 1.00 12.15 N +ATOM 6310 CA ILE D 125 11.408 39.737 1.916 1.00 11.93 C +ATOM 6311 C ILE D 125 10.787 41.094 2.204 1.00 13.36 C +ATOM 6312 O ILE D 125 11.174 42.099 1.613 1.00 13.74 O +ATOM 6313 CB ILE D 125 12.925 39.814 2.185 1.00 12.96 C +ATOM 6314 CG1 ILE D 125 13.541 38.415 2.113 1.00 12.23 C +ATOM 6315 CG2 ILE D 125 13.177 40.414 3.566 1.00 14.05 C +ATOM 6316 CD1 ILE D 125 15.049 38.402 2.244 1.00 13.18 C +ATOM 6317 N GLY D 126 9.811 41.110 3.108 1.00 13.43 N +ATOM 6318 CA GLY D 126 9.150 42.353 3.468 1.00 11.92 C +ATOM 6319 C GLY D 126 9.430 42.672 4.920 1.00 12.20 C +ATOM 6320 O GLY D 126 9.252 41.816 5.796 1.00 11.11 O +ATOM 6321 N VAL D 127 9.865 43.899 5.186 1.00 10.24 N +ATOM 6322 CA VAL D 127 10.180 44.300 6.547 1.00 12.07 C +ATOM 6323 C VAL D 127 9.683 45.701 6.880 1.00 11.35 C +ATOM 6324 O VAL D 127 9.278 46.458 5.999 1.00 11.31 O +ATOM 6325 CB VAL D 127 11.707 44.296 6.789 1.00 10.46 C +ATOM 6326 CG1 VAL D 127 12.299 42.958 6.387 1.00 12.38 C +ATOM 6327 CG2 VAL D 127 12.353 45.426 6.014 1.00 12.18 C +ATOM 6328 N ASN D 128 9.729 46.016 8.170 1.00 13.03 N +ATOM 6329 CA ASN D 128 9.352 47.320 8.714 1.00 13.08 C +ATOM 6330 C ASN D 128 7.896 47.766 8.565 1.00 13.19 C +ATOM 6331 O ASN D 128 7.615 48.967 8.484 1.00 11.22 O +ATOM 6332 CB ASN D 128 10.282 48.397 8.143 1.00 13.54 C +ATOM 6333 CG ASN D 128 10.605 49.487 9.155 1.00 12.95 C +ATOM 6334 OD1 ASN D 128 10.267 49.378 10.334 1.00 11.43 O +ATOM 6335 ND2 ASN D 128 11.286 50.534 8.699 1.00 12.16 N +ATOM 6336 N PHE D 129 6.968 46.816 8.542 1.00 12.76 N +ATOM 6337 CA PHE D 129 5.555 47.177 8.451 1.00 12.83 C +ATOM 6338 C PHE D 129 5.024 47.403 9.866 1.00 14.58 C +ATOM 6339 O PHE D 129 5.174 46.541 10.742 1.00 13.13 O +ATOM 6340 CB PHE D 129 4.743 46.073 7.766 1.00 13.29 C +ATOM 6341 CG PHE D 129 5.007 45.950 6.290 1.00 12.03 C +ATOM 6342 CD1 PHE D 129 4.375 46.800 5.388 1.00 11.32 C +ATOM 6343 CD2 PHE D 129 5.891 44.994 5.799 1.00 14.47 C +ATOM 6344 CE1 PHE D 129 4.619 46.700 4.016 1.00 11.75 C +ATOM 6345 CE2 PHE D 129 6.140 44.887 4.421 1.00 10.58 C +ATOM 6346 CZ PHE D 129 5.501 45.743 3.534 1.00 11.45 C +ATOM 6347 N PRO D 130 4.417 48.578 10.118 1.00 14.94 N +ATOM 6348 CA PRO D 130 3.869 48.897 11.443 1.00 15.44 C +ATOM 6349 C PRO D 130 2.835 47.852 11.845 1.00 15.96 C +ATOM 6350 O PRO D 130 1.981 47.477 11.040 1.00 14.87 O +ATOM 6351 CB PRO D 130 3.249 50.278 11.233 1.00 14.59 C +ATOM 6352 CG PRO D 130 4.122 50.873 10.164 1.00 15.87 C +ATOM 6353 CD PRO D 130 4.280 49.726 9.205 1.00 16.72 C +ATOM 6354 N SER D 131 2.904 47.382 13.085 1.00 17.42 N +ATOM 6355 CA SER D 131 1.975 46.361 13.546 1.00 18.29 C +ATOM 6356 C SER D 131 0.517 46.799 13.421 1.00 20.03 C +ATOM 6357 O SER D 131 -0.382 45.966 13.326 1.00 20.67 O +ATOM 6358 CB SER D 131 2.282 45.980 14.999 1.00 21.43 C +ATOM 6359 OG SER D 131 1.801 46.960 15.901 1.00 25.21 O +ATOM 6360 N ASP D 132 0.283 48.105 13.402 1.00 20.24 N +ATOM 6361 CA ASP D 132 -1.073 48.627 13.297 1.00 22.30 C +ATOM 6362 C ASP D 132 -1.337 49.285 11.944 1.00 21.65 C +ATOM 6363 O ASP D 132 -2.325 50.003 11.774 1.00 21.47 O +ATOM 6364 CB ASP D 132 -1.320 49.626 14.427 1.00 26.05 C +ATOM 6365 CG ASP D 132 -0.337 50.777 14.406 1.00 31.04 C +ATOM 6366 OD1 ASP D 132 0.846 50.539 14.065 1.00 32.23 O +ATOM 6367 OD2 ASP D 132 -0.744 51.913 14.738 1.00 33.57 O +ATOM 6368 N GLY D 133 -0.451 49.034 10.985 1.00 18.97 N +ATOM 6369 CA GLY D 133 -0.609 49.607 9.662 1.00 18.12 C +ATOM 6370 C GLY D 133 -1.584 48.807 8.814 1.00 18.03 C +ATOM 6371 O GLY D 133 -2.055 47.749 9.240 1.00 18.16 O +ATOM 6372 N PRO D 134 -1.904 49.285 7.601 1.00 17.26 N +ATOM 6373 CA PRO D 134 -2.831 48.639 6.661 1.00 17.41 C +ATOM 6374 C PRO D 134 -2.459 47.203 6.280 1.00 15.91 C +ATOM 6375 O PRO D 134 -3.333 46.371 6.031 1.00 16.51 O +ATOM 6376 CB PRO D 134 -2.781 49.558 5.442 1.00 17.97 C +ATOM 6377 CG PRO D 134 -2.443 50.888 6.023 1.00 18.55 C +ATOM 6378 CD PRO D 134 -1.396 50.550 7.043 1.00 17.30 C +ATOM 6379 N VAL D 135 -1.159 46.930 6.224 1.00 15.15 N +ATOM 6380 CA VAL D 135 -0.652 45.618 5.847 1.00 13.96 C +ATOM 6381 C VAL D 135 -0.850 44.555 6.929 1.00 14.71 C +ATOM 6382 O VAL D 135 -1.438 43.500 6.672 1.00 11.84 O +ATOM 6383 CB VAL D 135 0.849 45.718 5.461 1.00 15.57 C +ATOM 6384 CG1 VAL D 135 1.424 44.341 5.205 1.00 14.32 C +ATOM 6385 CG2 VAL D 135 1.002 46.579 4.203 1.00 13.68 C +ATOM 6386 N MET D 136 -0.381 44.835 8.143 1.00 13.73 N +ATOM 6387 CA MET D 136 -0.522 43.872 9.227 1.00 14.37 C +ATOM 6388 C MET D 136 -1.936 43.836 9.801 1.00 16.92 C +ATOM 6389 O MET D 136 -2.276 42.930 10.564 1.00 17.53 O +ATOM 6390 CB MET D 136 0.490 44.160 10.339 1.00 15.36 C +ATOM 6391 CG MET D 136 1.951 44.081 9.893 1.00 13.03 C +ATOM 6392 SD MET D 136 2.368 42.569 8.982 1.00 19.32 S +ATOM 6393 CE MET D 136 2.124 41.345 10.229 1.00 15.07 C +ATOM 6394 N GLN D 137 -2.759 44.818 9.444 1.00 15.56 N +ATOM 6395 CA GLN D 137 -4.139 44.852 9.922 1.00 18.40 C +ATOM 6396 C GLN D 137 -5.109 44.404 8.837 1.00 18.20 C +ATOM 6397 O GLN D 137 -6.317 44.335 9.068 1.00 17.11 O +ATOM 6398 CB GLN D 137 -4.527 46.257 10.384 1.00 19.04 C +ATOM 6399 CG GLN D 137 -3.891 46.661 11.699 1.00 23.34 C +ATOM 6400 CD GLN D 137 -4.217 45.687 12.807 1.00 26.29 C +ATOM 6401 OE1 GLN D 137 -5.386 45.393 13.067 1.00 28.53 O +ATOM 6402 NE2 GLN D 137 -3.184 45.178 13.474 1.00 28.18 N +ATOM 6403 N LYS D 138 -4.575 44.111 7.653 1.00 16.53 N +ATOM 6404 CA LYS D 138 -5.394 43.673 6.525 1.00 17.86 C +ATOM 6405 C LYS D 138 -6.535 44.651 6.253 1.00 17.61 C +ATOM 6406 O LYS D 138 -7.704 44.259 6.226 1.00 16.63 O +ATOM 6407 CB LYS D 138 -5.962 42.275 6.796 1.00 18.02 C +ATOM 6408 CG LYS D 138 -4.900 41.195 6.960 1.00 21.71 C +ATOM 6409 CD LYS D 138 -5.505 39.890 7.457 1.00 24.52 C +ATOM 6410 CE LYS D 138 -4.425 38.855 7.724 1.00 24.23 C +ATOM 6411 NZ LYS D 138 -4.963 37.657 8.427 1.00 28.75 N +ATOM 6412 N LYS D 139 -6.189 45.919 6.043 1.00 17.39 N +ATOM 6413 CA LYS D 139 -7.182 46.957 5.780 1.00 18.36 C +ATOM 6414 C LYS D 139 -7.230 47.405 4.317 1.00 18.22 C +ATOM 6415 O LYS D 139 -7.879 48.406 4.002 1.00 18.25 O +ATOM 6416 CB LYS D 139 -6.899 48.185 6.647 1.00 22.43 C +ATOM 6417 CG LYS D 139 -6.909 47.930 8.138 1.00 25.46 C +ATOM 6418 CD LYS D 139 -8.311 47.665 8.645 1.00 27.91 C +ATOM 6419 CE LYS D 139 -8.327 47.628 10.164 1.00 30.34 C +ATOM 6420 NZ LYS D 139 -9.699 47.388 10.688 1.00 31.24 N +ATOM 6421 N THR D 140 -6.558 46.679 3.426 1.00 17.95 N +ATOM 6422 CA THR D 140 -6.539 47.057 2.012 1.00 16.79 C +ATOM 6423 C THR D 140 -7.596 46.343 1.173 1.00 17.48 C +ATOM 6424 O THR D 140 -8.064 45.266 1.538 1.00 16.69 O +ATOM 6425 CB THR D 140 -5.158 46.801 1.387 1.00 14.63 C +ATOM 6426 OG1 THR D 140 -4.883 45.396 1.372 1.00 15.53 O +ATOM 6427 CG2 THR D 140 -4.085 47.522 2.183 1.00 16.80 C +ATOM 6428 N MET D 141 -7.960 46.948 0.044 1.00 17.17 N +ATOM 6429 CA MET D 141 -8.979 46.383 -0.841 1.00 19.14 C +ATOM 6430 C MET D 141 -8.596 46.327 -2.317 1.00 17.90 C +ATOM 6431 O MET D 141 -9.427 46.640 -3.169 1.00 16.85 O +ATOM 6432 CB MET D 141 -10.276 47.189 -0.769 1.00 21.99 C +ATOM 6433 CG MET D 141 -10.857 47.424 0.596 1.00 28.94 C +ATOM 6434 SD MET D 141 -12.419 48.310 0.375 1.00 32.59 S +ATOM 6435 CE MET D 141 -11.854 49.837 -0.345 1.00 29.12 C +ATOM 6436 N GLY D 142 -7.363 45.943 -2.630 1.00 14.08 N +ATOM 6437 CA GLY D 142 -6.967 45.856 -4.024 1.00 14.48 C +ATOM 6438 C GLY D 142 -6.260 47.089 -4.550 1.00 14.03 C +ATOM 6439 O GLY D 142 -6.359 48.168 -3.964 1.00 12.22 O +ATOM 6440 N TRP D 143 -5.550 46.928 -5.666 1.00 13.90 N +ATOM 6441 CA TRP D 143 -4.819 48.032 -6.280 1.00 12.96 C +ATOM 6442 C TRP D 143 -5.644 48.839 -7.277 1.00 13.94 C +ATOM 6443 O TRP D 143 -6.580 48.331 -7.897 1.00 14.95 O +ATOM 6444 CB TRP D 143 -3.593 47.520 -7.052 1.00 12.84 C +ATOM 6445 CG TRP D 143 -2.614 46.731 -6.263 1.00 13.07 C +ATOM 6446 CD1 TRP D 143 -2.576 45.373 -6.124 1.00 15.01 C +ATOM 6447 CD2 TRP D 143 -1.516 47.246 -5.504 1.00 14.08 C +ATOM 6448 NE1 TRP D 143 -1.518 45.009 -5.327 1.00 13.39 N +ATOM 6449 CE2 TRP D 143 -0.849 46.139 -4.931 1.00 16.09 C +ATOM 6450 CE3 TRP D 143 -1.030 48.535 -5.250 1.00 13.96 C +ATOM 6451 CZ2 TRP D 143 0.280 46.283 -4.118 1.00 14.79 C +ATOM 6452 CZ3 TRP D 143 0.099 48.680 -4.439 1.00 14.60 C +ATOM 6453 CH2 TRP D 143 0.739 47.557 -3.884 1.00 15.36 C +ATOM 6454 N GLU D 144 -5.281 50.106 -7.431 1.00 15.03 N +ATOM 6455 CA GLU D 144 -5.911 50.969 -8.423 1.00 13.23 C +ATOM 6456 C GLU D 144 -5.151 50.579 -9.689 1.00 14.93 C +ATOM 6457 O GLU D 144 -4.061 50.008 -9.592 1.00 13.31 O +ATOM 6458 CB GLU D 144 -5.627 52.446 -8.119 1.00 15.09 C +ATOM 6459 CG GLU D 144 -6.362 52.994 -6.907 1.00 15.48 C +ATOM 6460 CD GLU D 144 -7.812 53.292 -7.200 1.00 16.00 C +ATOM 6461 OE1 GLU D 144 -8.324 52.805 -8.234 1.00 15.58 O +ATOM 6462 OE2 GLU D 144 -8.442 54.011 -6.394 1.00 14.75 O +ATOM 6463 N ALA D 145 -5.706 50.870 -10.864 1.00 13.67 N +ATOM 6464 CA ALA D 145 -5.007 50.561 -12.110 1.00 15.48 C +ATOM 6465 C ALA D 145 -3.760 51.443 -12.080 1.00 14.63 C +ATOM 6466 O ALA D 145 -3.804 52.536 -11.518 1.00 16.64 O +ATOM 6467 CB ALA D 145 -5.884 50.908 -13.309 1.00 14.73 C +ATOM 6468 N SER D 146 -2.655 50.994 -12.675 1.00 14.43 N +ATOM 6469 CA SER D 146 -1.429 51.794 -12.620 1.00 14.87 C +ATOM 6470 C SER D 146 -0.742 52.069 -13.950 1.00 14.15 C +ATOM 6471 O SER D 146 -1.106 51.518 -14.983 1.00 15.39 O +ATOM 6472 CB SER D 146 -0.413 51.121 -11.706 1.00 14.19 C +ATOM 6473 OG SER D 146 0.083 49.946 -12.319 1.00 13.83 O +ATOM 6474 N THR D 147 0.275 52.922 -13.897 1.00 12.63 N +ATOM 6475 CA THR D 147 1.049 53.277 -15.081 1.00 12.53 C +ATOM 6476 C THR D 147 2.536 53.328 -14.738 1.00 12.79 C +ATOM 6477 O THR D 147 2.977 54.155 -13.937 1.00 11.24 O +ATOM 6478 CB THR D 147 0.612 54.629 -15.645 1.00 12.77 C +ATOM 6479 OG1 THR D 147 -0.769 54.556 -16.030 1.00 13.60 O +ATOM 6480 CG2 THR D 147 1.455 54.993 -16.866 1.00 15.67 C +ATOM 6481 N GLU D 148 3.297 52.440 -15.363 1.00 9.16 N +ATOM 6482 CA GLU D 148 4.731 52.323 -15.137 1.00 10.50 C +ATOM 6483 C GLU D 148 5.559 53.091 -16.161 1.00 12.29 C +ATOM 6484 O GLU D 148 5.260 53.064 -17.354 1.00 12.90 O +ATOM 6485 CB GLU D 148 5.119 50.835 -15.158 1.00 10.62 C +ATOM 6486 CG GLU D 148 6.622 50.545 -15.215 1.00 12.81 C +ATOM 6487 CD GLU D 148 6.924 49.056 -15.199 1.00 16.96 C +ATOM 6488 OE1 GLU D 148 6.250 48.304 -15.938 1.00 15.08 O +ATOM 6489 OE2 GLU D 148 7.837 48.635 -14.451 1.00 15.58 O +ATOM 6490 N ARG D 149 6.591 53.780 -15.676 1.00 13.48 N +ATOM 6491 CA ARG D 149 7.503 54.560 -16.518 1.00 13.74 C +ATOM 6492 C ARG D 149 8.779 53.733 -16.691 1.00 11.32 C +ATOM 6493 O ARG D 149 9.488 53.487 -15.716 1.00 12.06 O +ATOM 6494 CB ARG D 149 7.832 55.901 -15.831 1.00 11.17 C +ATOM 6495 CG ARG D 149 8.749 56.847 -16.621 1.00 12.63 C +ATOM 6496 CD ARG D 149 10.203 56.384 -16.645 1.00 12.23 C +ATOM 6497 NE ARG D 149 10.817 56.346 -15.316 1.00 11.13 N +ATOM 6498 CZ ARG D 149 11.266 57.409 -14.653 1.00 11.63 C +ATOM 6499 NH1 ARG D 149 11.179 58.622 -15.186 1.00 12.11 N +ATOM 6500 NH2 ARG D 149 11.821 57.254 -13.454 1.00 12.09 N +ATOM 6501 N LEU D 150 9.071 53.307 -17.921 1.00 11.06 N +ATOM 6502 CA LEU D 150 10.264 52.496 -18.188 1.00 11.71 C +ATOM 6503 C LEU D 150 11.300 53.186 -19.071 1.00 11.41 C +ATOM 6504 O LEU D 150 10.989 54.129 -19.795 1.00 13.45 O +ATOM 6505 CB LEU D 150 9.877 51.165 -18.845 1.00 13.21 C +ATOM 6506 CG LEU D 150 8.898 50.272 -18.079 1.00 16.07 C +ATOM 6507 CD1 LEU D 150 7.481 50.538 -18.577 1.00 13.55 C +ATOM 6508 CD2 LEU D 150 9.257 48.804 -18.295 1.00 16.82 C +ATOM 6509 N TYR D 151 12.532 52.688 -19.019 1.00 11.90 N +ATOM 6510 CA TYR D 151 13.633 53.244 -19.802 1.00 12.06 C +ATOM 6511 C TYR D 151 14.807 52.280 -19.720 1.00 14.41 C +ATOM 6512 O TYR D 151 14.947 51.533 -18.746 1.00 14.99 O +ATOM 6513 CB TYR D 151 14.052 54.599 -19.221 1.00 12.50 C +ATOM 6514 CG TYR D 151 14.398 54.488 -17.754 1.00 12.94 C +ATOM 6515 CD1 TYR D 151 13.400 54.574 -16.784 1.00 12.62 C +ATOM 6516 CD2 TYR D 151 15.693 54.166 -17.341 1.00 13.35 C +ATOM 6517 CE1 TYR D 151 13.676 54.329 -15.439 1.00 12.93 C +ATOM 6518 CE2 TYR D 151 15.983 53.919 -15.992 1.00 12.88 C +ATOM 6519 CZ TYR D 151 14.965 53.997 -15.053 1.00 13.90 C +ATOM 6520 OH TYR D 151 15.224 53.706 -13.736 1.00 13.04 O +ATOM 6521 N PRO D 152 15.668 52.273 -20.744 1.00 14.07 N +ATOM 6522 CA PRO D 152 16.822 51.372 -20.716 1.00 14.11 C +ATOM 6523 C PRO D 152 17.978 51.998 -19.933 1.00 15.08 C +ATOM 6524 O PRO D 152 18.143 53.214 -19.932 1.00 14.27 O +ATOM 6525 CB PRO D 152 17.158 51.209 -22.190 1.00 14.61 C +ATOM 6526 CG PRO D 152 16.838 52.581 -22.738 1.00 15.29 C +ATOM 6527 CD PRO D 152 15.512 52.897 -22.072 1.00 15.24 C +ATOM 6528 N ARG D 153 18.758 51.165 -19.252 1.00 14.62 N +ATOM 6529 CA ARG D 153 19.915 51.632 -18.494 1.00 15.56 C +ATOM 6530 C ARG D 153 20.778 50.435 -18.132 1.00 15.48 C +ATOM 6531 O ARG D 153 20.260 49.373 -17.797 1.00 15.78 O +ATOM 6532 CB ARG D 153 19.492 52.368 -17.211 1.00 13.05 C +ATOM 6533 CG ARG D 153 20.683 52.787 -16.347 1.00 14.27 C +ATOM 6534 CD ARG D 153 20.298 53.597 -15.109 1.00 14.81 C +ATOM 6535 NE ARG D 153 19.914 54.976 -15.417 1.00 14.45 N +ATOM 6536 CZ ARG D 153 19.735 55.916 -14.491 1.00 13.15 C +ATOM 6537 NH1 ARG D 153 19.908 55.621 -13.211 1.00 11.72 N +ATOM 6538 NH2 ARG D 153 19.380 57.145 -14.835 1.00 12.19 N +ATOM 6539 N ASP D 154 22.095 50.604 -18.210 1.00 17.57 N +ATOM 6540 CA ASP D 154 23.014 49.525 -17.875 1.00 20.32 C +ATOM 6541 C ASP D 154 22.760 48.249 -18.677 1.00 19.11 C +ATOM 6542 O ASP D 154 22.995 47.153 -18.181 1.00 19.46 O +ATOM 6543 CB ASP D 154 22.918 49.198 -16.383 1.00 25.63 C +ATOM 6544 CG ASP D 154 23.831 50.055 -15.536 1.00 31.33 C +ATOM 6545 OD1 ASP D 154 23.823 51.293 -15.705 1.00 35.02 O +ATOM 6546 OD2 ASP D 154 24.554 49.482 -14.692 1.00 36.00 O +ATOM 6547 N GLY D 155 22.273 48.388 -19.904 1.00 18.05 N +ATOM 6548 CA GLY D 155 22.025 47.213 -20.722 1.00 17.52 C +ATOM 6549 C GLY D 155 20.762 46.443 -20.380 1.00 17.63 C +ATOM 6550 O GLY D 155 20.485 45.408 -20.991 1.00 17.51 O +ATOM 6551 N VAL D 156 19.997 46.925 -19.404 1.00 15.30 N +ATOM 6552 CA VAL D 156 18.756 46.257 -19.028 1.00 14.68 C +ATOM 6553 C VAL D 156 17.584 47.224 -19.048 1.00 13.25 C +ATOM 6554 O VAL D 156 17.735 48.399 -19.387 1.00 12.16 O +ATOM 6555 CB VAL D 156 18.845 45.608 -17.621 1.00 14.48 C +ATOM 6556 CG1 VAL D 156 19.867 44.479 -17.632 1.00 14.27 C +ATOM 6557 CG2 VAL D 156 19.212 46.651 -16.583 1.00 15.81 C +ATOM 6558 N LEU D 157 16.414 46.719 -18.680 1.00 13.72 N +ATOM 6559 CA LEU D 157 15.200 47.516 -18.666 1.00 13.58 C +ATOM 6560 C LEU D 157 14.759 47.788 -17.235 1.00 14.50 C +ATOM 6561 O LEU D 157 14.695 46.870 -16.412 1.00 12.92 O +ATOM 6562 CB LEU D 157 14.092 46.779 -19.417 1.00 13.92 C +ATOM 6563 CG LEU D 157 12.760 47.510 -19.549 1.00 14.79 C +ATOM 6564 CD1 LEU D 157 12.981 48.828 -20.269 1.00 14.42 C +ATOM 6565 CD2 LEU D 157 11.767 46.641 -20.296 1.00 17.38 C +ATOM 6566 N LYS D 158 14.463 49.052 -16.945 1.00 12.74 N +ATOM 6567 CA LYS D 158 14.030 49.448 -15.615 1.00 13.03 C +ATOM 6568 C LYS D 158 12.710 50.219 -15.682 1.00 13.18 C +ATOM 6569 O LYS D 158 12.379 50.826 -16.705 1.00 12.84 O +ATOM 6570 CB LYS D 158 15.102 50.319 -14.952 1.00 15.60 C +ATOM 6571 CG LYS D 158 16.467 49.656 -14.859 1.00 15.85 C +ATOM 6572 CD LYS D 158 17.460 50.526 -14.093 1.00 17.16 C +ATOM 6573 CE LYS D 158 17.188 50.494 -12.593 1.00 19.80 C +ATOM 6574 NZ LYS D 158 18.203 51.265 -11.812 1.00 17.51 N +ATOM 6575 N GLY D 159 11.957 50.191 -14.591 1.00 12.44 N +ATOM 6576 CA GLY D 159 10.695 50.904 -14.563 1.00 11.44 C +ATOM 6577 C GLY D 159 10.285 51.272 -13.150 1.00 11.57 C +ATOM 6578 O GLY D 159 10.677 50.611 -12.192 1.00 9.62 O +ATOM 6579 N GLU D 160 9.507 52.341 -13.020 1.00 12.37 N +ATOM 6580 CA GLU D 160 9.026 52.783 -11.715 1.00 13.77 C +ATOM 6581 C GLU D 160 7.533 53.043 -11.812 1.00 13.76 C +ATOM 6582 O GLU D 160 7.016 53.388 -12.880 1.00 13.94 O +ATOM 6583 CB GLU D 160 9.723 54.069 -11.258 1.00 13.35 C +ATOM 6584 CG GLU D 160 11.221 53.956 -11.021 1.00 14.53 C +ATOM 6585 CD GLU D 160 12.024 53.962 -12.308 1.00 15.39 C +ATOM 6586 OE1 GLU D 160 11.528 54.491 -13.320 1.00 17.08 O +ATOM 6587 OE2 GLU D 160 13.161 53.455 -12.300 1.00 17.37 O +ATOM 6588 N ILE D 161 6.840 52.880 -10.693 1.00 12.27 N +ATOM 6589 CA ILE D 161 5.403 53.090 -10.667 1.00 11.10 C +ATOM 6590 C ILE D 161 4.981 53.703 -9.338 1.00 11.54 C +ATOM 6591 O ILE D 161 5.541 53.383 -8.287 1.00 10.38 O +ATOM 6592 CB ILE D 161 4.638 51.756 -10.797 1.00 11.22 C +ATOM 6593 CG1 ILE D 161 5.384 50.801 -11.727 1.00 12.03 C +ATOM 6594 CG2 ILE D 161 3.233 52.014 -11.324 1.00 12.74 C +ATOM 6595 CD1 ILE D 161 4.788 49.393 -11.737 1.00 13.96 C +ATOM 6596 N HIS D 162 4.013 54.609 -9.393 1.00 12.62 N +ATOM 6597 CA HIS D 162 3.468 55.191 -8.180 1.00 10.96 C +ATOM 6598 C HIS D 162 2.138 54.481 -8.049 1.00 10.52 C +ATOM 6599 O HIS D 162 1.182 54.805 -8.743 1.00 10.62 O +ATOM 6600 CB HIS D 162 3.276 56.705 -8.324 1.00 13.44 C +ATOM 6601 CG HIS D 162 4.510 57.491 -8.012 1.00 12.13 C +ATOM 6602 ND1 HIS D 162 5.106 58.337 -8.921 1.00 11.95 N +ATOM 6603 CD2 HIS D 162 5.284 57.525 -6.900 1.00 13.30 C +ATOM 6604 CE1 HIS D 162 6.195 58.859 -8.383 1.00 12.57 C +ATOM 6605 NE2 HIS D 162 6.326 58.382 -7.157 1.00 9.83 N +ATOM 6606 N LYS D 163 2.090 53.477 -7.181 1.00 9.58 N +ATOM 6607 CA LYS D 163 0.877 52.706 -7.001 1.00 10.77 C +ATOM 6608 C LYS D 163 0.149 53.005 -5.701 1.00 11.51 C +ATOM 6609 O LYS D 163 0.690 53.654 -4.800 1.00 12.09 O +ATOM 6610 CB LYS D 163 1.202 51.212 -7.108 1.00 10.90 C +ATOM 6611 CG LYS D 163 1.560 50.795 -8.527 1.00 12.53 C +ATOM 6612 CD LYS D 163 1.971 49.331 -8.619 1.00 10.67 C +ATOM 6613 CE LYS D 163 0.888 48.403 -8.089 1.00 13.13 C +ATOM 6614 NZ LYS D 163 -0.434 48.632 -8.737 1.00 12.63 N +ATOM 6615 N ALA D 164 -1.088 52.530 -5.616 1.00 12.11 N +ATOM 6616 CA ALA D 164 -1.907 52.759 -4.435 1.00 13.27 C +ATOM 6617 C ALA D 164 -2.864 51.616 -4.142 1.00 13.82 C +ATOM 6618 O ALA D 164 -3.460 51.031 -5.047 1.00 13.25 O +ATOM 6619 CB ALA D 164 -2.697 54.056 -4.596 1.00 11.58 C +ATOM 6620 N LEU D 165 -2.991 51.298 -2.860 1.00 13.83 N +ATOM 6621 CA LEU D 165 -3.895 50.256 -2.405 1.00 15.90 C +ATOM 6622 C LEU D 165 -5.102 50.966 -1.809 1.00 15.98 C +ATOM 6623 O LEU D 165 -4.952 51.910 -1.030 1.00 15.41 O +ATOM 6624 CB LEU D 165 -3.225 49.387 -1.334 1.00 16.04 C +ATOM 6625 CG LEU D 165 -2.299 48.275 -1.840 1.00 17.59 C +ATOM 6626 CD1 LEU D 165 -1.581 47.608 -0.675 1.00 19.92 C +ATOM 6627 CD2 LEU D 165 -3.128 47.247 -2.600 1.00 18.82 C +ATOM 6628 N LYS D 166 -6.298 50.535 -2.190 1.00 16.73 N +ATOM 6629 CA LYS D 166 -7.506 51.150 -1.656 1.00 17.09 C +ATOM 6630 C LYS D 166 -7.708 50.688 -0.218 1.00 17.27 C +ATOM 6631 O LYS D 166 -7.502 49.517 0.101 1.00 16.08 O +ATOM 6632 CB LYS D 166 -8.715 50.774 -2.513 1.00 17.23 C +ATOM 6633 CG LYS D 166 -8.808 51.571 -3.790 1.00 19.54 C +ATOM 6634 CD LYS D 166 -9.913 51.056 -4.703 1.00 20.33 C +ATOM 6635 CE LYS D 166 -9.485 49.788 -5.418 1.00 21.92 C +ATOM 6636 NZ LYS D 166 -10.481 49.398 -6.452 1.00 23.93 N +ATOM 6637 N LEU D 167 -8.099 51.614 0.650 1.00 17.43 N +ATOM 6638 CA LEU D 167 -8.312 51.292 2.055 1.00 19.24 C +ATOM 6639 C LEU D 167 -9.778 51.066 2.385 1.00 21.28 C +ATOM 6640 O LEU D 167 -10.653 51.726 1.828 1.00 21.23 O +ATOM 6641 CB LEU D 167 -7.752 52.411 2.935 1.00 18.48 C +ATOM 6642 CG LEU D 167 -6.230 52.528 2.880 1.00 21.06 C +ATOM 6643 CD1 LEU D 167 -5.771 53.774 3.620 1.00 20.21 C +ATOM 6644 CD2 LEU D 167 -5.620 51.273 3.492 1.00 18.55 C +ATOM 6645 N LYS D 168 -10.033 50.129 3.296 1.00 23.16 N +ATOM 6646 CA LYS D 168 -11.393 49.797 3.716 1.00 25.28 C +ATOM 6647 C LYS D 168 -12.084 50.980 4.387 1.00 26.09 C +ATOM 6648 O LYS D 168 -13.275 51.219 4.177 1.00 23.84 O +ATOM 6649 CB LYS D 168 -11.378 48.616 4.694 1.00 28.50 C +ATOM 6650 CG LYS D 168 -10.839 47.317 4.121 1.00 31.57 C +ATOM 6651 CD LYS D 168 -10.832 46.213 5.176 1.00 35.50 C +ATOM 6652 CE LYS D 168 -10.130 44.951 4.676 1.00 35.72 C +ATOM 6653 NZ LYS D 168 -10.817 44.321 3.513 1.00 38.85 N +ATOM 6654 N ASP D 169 -11.337 51.713 5.203 1.00 26.83 N +ATOM 6655 CA ASP D 169 -11.906 52.855 5.899 1.00 29.33 C +ATOM 6656 C ASP D 169 -11.800 54.124 5.066 1.00 28.38 C +ATOM 6657 O ASP D 169 -12.036 55.223 5.561 1.00 29.88 O +ATOM 6658 CB ASP D 169 -11.218 53.039 7.253 1.00 32.54 C +ATOM 6659 CG ASP D 169 -11.381 51.825 8.152 1.00 35.54 C +ATOM 6660 OD1 ASP D 169 -12.521 51.329 8.270 1.00 37.08 O +ATOM 6661 OD2 ASP D 169 -10.376 51.369 8.739 1.00 37.52 O +ATOM 6662 N GLY D 170 -11.451 53.960 3.793 1.00 27.28 N +ATOM 6663 CA GLY D 170 -11.338 55.101 2.907 1.00 26.14 C +ATOM 6664 C GLY D 170 -9.917 55.567 2.665 1.00 24.12 C +ATOM 6665 O GLY D 170 -9.014 55.301 3.460 1.00 23.66 O +ATOM 6666 N GLY D 171 -9.721 56.272 1.558 1.00 21.25 N +ATOM 6667 CA GLY D 171 -8.402 56.774 1.232 1.00 19.82 C +ATOM 6668 C GLY D 171 -7.551 55.711 0.571 1.00 18.55 C +ATOM 6669 O GLY D 171 -8.027 54.607 0.285 1.00 17.98 O +ATOM 6670 N HIS D 172 -6.289 56.047 0.333 1.00 17.81 N +ATOM 6671 CA HIS D 172 -5.348 55.135 -0.301 1.00 16.94 C +ATOM 6672 C HIS D 172 -4.109 54.886 0.560 1.00 17.28 C +ATOM 6673 O HIS D 172 -3.818 55.635 1.496 1.00 18.89 O +ATOM 6674 CB HIS D 172 -4.893 55.696 -1.654 1.00 16.03 C +ATOM 6675 CG HIS D 172 -5.964 55.722 -2.701 1.00 14.85 C +ATOM 6676 ND1 HIS D 172 -6.856 56.766 -2.835 1.00 15.58 N +ATOM 6677 CD2 HIS D 172 -6.270 54.838 -3.679 1.00 13.91 C +ATOM 6678 CE1 HIS D 172 -7.663 56.524 -3.855 1.00 12.90 C +ATOM 6679 NE2 HIS D 172 -7.327 55.361 -4.385 1.00 13.39 N +ATOM 6680 N TYR D 173 -3.385 53.823 0.226 1.00 15.59 N +ATOM 6681 CA TYR D 173 -2.150 53.453 0.915 1.00 14.76 C +ATOM 6682 C TYR D 173 -1.124 53.408 -0.207 1.00 14.30 C +ATOM 6683 O TYR D 173 -1.129 52.487 -1.030 1.00 12.62 O +ATOM 6684 CB TYR D 173 -2.304 52.081 1.578 1.00 15.70 C +ATOM 6685 CG TYR D 173 -1.052 51.546 2.236 1.00 13.34 C +ATOM 6686 CD1 TYR D 173 -0.336 52.311 3.158 1.00 13.85 C +ATOM 6687 CD2 TYR D 173 -0.603 50.257 1.958 1.00 13.70 C +ATOM 6688 CE1 TYR D 173 0.797 51.801 3.786 1.00 11.18 C +ATOM 6689 CE2 TYR D 173 0.520 49.737 2.579 1.00 13.08 C +ATOM 6690 CZ TYR D 173 1.218 50.508 3.488 1.00 13.96 C +ATOM 6691 OH TYR D 173 2.344 49.988 4.083 1.00 9.93 O +ATOM 6692 N LEU D 174 -0.261 54.421 -0.227 1.00 12.68 N +ATOM 6693 CA LEU D 174 0.756 54.609 -1.258 1.00 12.15 C +ATOM 6694 C LEU D 174 2.007 53.748 -1.200 1.00 13.21 C +ATOM 6695 O LEU D 174 2.608 53.554 -0.143 1.00 13.38 O +ATOM 6696 CB LEU D 174 1.142 56.093 -1.289 1.00 10.14 C +ATOM 6697 CG LEU D 174 -0.101 56.996 -1.295 1.00 9.27 C +ATOM 6698 CD1 LEU D 174 0.303 58.459 -1.369 1.00 12.90 C +ATOM 6699 CD2 LEU D 174 -0.988 56.629 -2.478 1.00 8.96 C +ATOM 6700 N VAL D 175 2.408 53.267 -2.376 1.00 14.51 N +ATOM 6701 CA VAL D 175 3.570 52.398 -2.537 1.00 13.68 C +ATOM 6702 C VAL D 175 4.324 52.739 -3.828 1.00 13.67 C +ATOM 6703 O VAL D 175 3.720 52.799 -4.897 1.00 15.59 O +ATOM 6704 CB VAL D 175 3.126 50.916 -2.655 1.00 15.77 C +ATOM 6705 CG1 VAL D 175 4.334 49.996 -2.560 1.00 13.90 C +ATOM 6706 CG2 VAL D 175 2.106 50.590 -1.586 1.00 16.54 C +ATOM 6707 N GLU D 176 5.631 52.965 -3.744 1.00 10.80 N +ATOM 6708 CA GLU D 176 6.397 53.245 -4.953 1.00 12.54 C +ATOM 6709 C GLU D 176 7.090 51.964 -5.413 1.00 12.66 C +ATOM 6710 O GLU D 176 7.763 51.300 -4.623 1.00 11.46 O +ATOM 6711 CB GLU D 176 7.467 54.313 -4.722 1.00 12.49 C +ATOM 6712 CG GLU D 176 8.339 54.504 -5.963 1.00 15.07 C +ATOM 6713 CD GLU D 176 9.615 55.275 -5.697 1.00 19.63 C +ATOM 6714 OE1 GLU D 176 10.223 55.066 -4.626 1.00 17.75 O +ATOM 6715 OE2 GLU D 176 10.022 56.074 -6.570 1.00 19.85 O +ATOM 6716 N PHE D 177 6.920 51.623 -6.689 1.00 12.43 N +ATOM 6717 CA PHE D 177 7.535 50.428 -7.268 1.00 12.59 C +ATOM 6718 C PHE D 177 8.778 50.770 -8.087 1.00 12.63 C +ATOM 6719 O PHE D 177 8.773 51.719 -8.872 1.00 11.86 O +ATOM 6720 CB PHE D 177 6.551 49.716 -8.199 1.00 13.22 C +ATOM 6721 CG PHE D 177 5.623 48.760 -7.514 1.00 14.74 C +ATOM 6722 CD1 PHE D 177 4.936 49.124 -6.360 1.00 13.78 C +ATOM 6723 CD2 PHE D 177 5.378 47.510 -8.074 1.00 15.08 C +ATOM 6724 CE1 PHE D 177 4.017 48.257 -5.779 1.00 16.42 C +ATOM 6725 CE2 PHE D 177 4.459 46.638 -7.500 1.00 16.30 C +ATOM 6726 CZ PHE D 177 3.778 47.012 -6.353 1.00 14.84 C +ATOM 6727 N LYS D 178 9.838 49.995 -7.894 1.00 11.60 N +ATOM 6728 CA LYS D 178 11.081 50.160 -8.640 1.00 14.64 C +ATOM 6729 C LYS D 178 11.471 48.765 -9.098 1.00 14.08 C +ATOM 6730 O LYS D 178 11.795 47.903 -8.279 1.00 14.39 O +ATOM 6731 CB LYS D 178 12.184 50.745 -7.761 1.00 15.44 C +ATOM 6732 CG LYS D 178 12.014 52.225 -7.454 1.00 16.88 C +ATOM 6733 CD LYS D 178 13.073 52.699 -6.474 1.00 20.07 C +ATOM 6734 CE LYS D 178 13.095 54.216 -6.360 1.00 23.08 C +ATOM 6735 NZ LYS D 178 13.660 54.869 -7.581 1.00 24.89 N +ATOM 6736 N SER D 179 11.424 48.544 -10.407 1.00 14.26 N +ATOM 6737 CA SER D 179 11.746 47.241 -10.970 1.00 13.79 C +ATOM 6738 C SER D 179 12.927 47.253 -11.928 1.00 13.06 C +ATOM 6739 O SER D 179 13.244 48.273 -12.553 1.00 13.37 O +ATOM 6740 CB SER D 179 10.527 46.678 -11.704 1.00 14.19 C +ATOM 6741 OG SER D 179 9.379 46.708 -10.879 1.00 16.37 O +ATOM 6742 N ILE D 180 13.572 46.095 -12.030 1.00 13.24 N +ATOM 6743 CA ILE D 180 14.708 45.896 -12.917 1.00 12.51 C +ATOM 6744 C ILE D 180 14.446 44.578 -13.636 1.00 12.91 C +ATOM 6745 O ILE D 180 14.317 43.529 -12.994 1.00 11.84 O +ATOM 6746 CB ILE D 180 16.046 45.764 -12.152 1.00 13.48 C +ATOM 6747 CG1 ILE D 180 16.259 46.955 -11.211 1.00 14.10 C +ATOM 6748 CG2 ILE D 180 17.204 45.697 -13.150 1.00 13.21 C +ATOM 6749 CD1 ILE D 180 15.552 46.827 -9.862 1.00 13.25 C +ATOM 6750 N TYR D 181 14.347 44.631 -14.961 1.00 13.44 N +ATOM 6751 CA TYR D 181 14.097 43.429 -15.757 1.00 15.02 C +ATOM 6752 C TYR D 181 15.393 43.070 -16.457 1.00 16.21 C +ATOM 6753 O TYR D 181 15.905 43.845 -17.264 1.00 15.88 O +ATOM 6754 CB TYR D 181 12.991 43.685 -16.780 1.00 14.69 C +ATOM 6755 CG TYR D 181 11.746 44.297 -16.176 1.00 15.93 C +ATOM 6756 CD1 TYR D 181 10.837 43.516 -15.464 1.00 16.83 C +ATOM 6757 CD2 TYR D 181 11.486 45.663 -16.303 1.00 15.73 C +ATOM 6758 CE1 TYR D 181 9.696 44.079 -14.892 1.00 18.96 C +ATOM 6759 CE2 TYR D 181 10.346 46.236 -15.734 1.00 18.86 C +ATOM 6760 CZ TYR D 181 9.458 45.440 -15.032 1.00 18.66 C +ATOM 6761 OH TYR D 181 8.334 46.001 -14.471 1.00 18.99 O +ATOM 6762 N MET D 182 15.917 41.888 -16.147 1.00 15.52 N +ATOM 6763 CA MET D 182 17.193 41.453 -16.696 1.00 14.83 C +ATOM 6764 C MET D 182 17.137 40.206 -17.561 1.00 14.97 C +ATOM 6765 O MET D 182 17.024 39.090 -17.053 1.00 12.71 O +ATOM 6766 CB MET D 182 18.168 41.232 -15.540 1.00 15.69 C +ATOM 6767 CG MET D 182 18.217 42.413 -14.576 1.00 18.99 C +ATOM 6768 SD MET D 182 18.931 42.050 -12.958 1.00 23.64 S +ATOM 6769 CE MET D 182 17.502 41.365 -12.116 1.00 20.62 C +ATOM 6770 N ALA D 183 17.225 40.398 -18.874 1.00 16.68 N +ATOM 6771 CA ALA D 183 17.216 39.275 -19.801 1.00 16.96 C +ATOM 6772 C ALA D 183 18.493 38.489 -19.536 1.00 18.47 C +ATOM 6773 O ALA D 183 19.538 39.079 -19.248 1.00 18.95 O +ATOM 6774 CB ALA D 183 17.192 39.779 -21.241 1.00 16.72 C +ATOM 6775 N LYS D 184 18.414 37.164 -19.622 1.00 18.43 N +ATOM 6776 CA LYS D 184 19.578 36.321 -19.374 1.00 19.47 C +ATOM 6777 C LYS D 184 20.638 36.489 -20.459 1.00 21.83 C +ATOM 6778 O LYS D 184 21.804 36.136 -20.271 1.00 21.01 O +ATOM 6779 CB LYS D 184 19.133 34.864 -19.235 1.00 19.62 C +ATOM 6780 CG LYS D 184 18.387 34.617 -17.923 1.00 20.63 C +ATOM 6781 CD LYS D 184 17.552 33.346 -17.940 1.00 19.01 C +ATOM 6782 CE LYS D 184 16.745 33.220 -16.652 1.00 18.12 C +ATOM 6783 NZ LYS D 184 15.793 32.068 -16.674 1.00 15.76 N +ATOM 6784 N LYS D 185 20.215 37.050 -21.585 1.00 21.10 N +ATOM 6785 CA LYS D 185 21.083 37.335 -22.720 1.00 22.27 C +ATOM 6786 C LYS D 185 20.678 38.734 -23.172 1.00 21.24 C +ATOM 6787 O LYS D 185 19.497 39.051 -23.221 1.00 19.72 O +ATOM 6788 CB LYS D 185 20.838 36.327 -23.849 1.00 26.19 C +ATOM 6789 CG LYS D 185 19.377 36.204 -24.267 1.00 28.90 C +ATOM 6790 CD LYS D 185 19.168 35.027 -25.209 1.00 33.59 C +ATOM 6791 CE LYS D 185 17.686 34.751 -25.446 1.00 33.60 C +ATOM 6792 NZ LYS D 185 16.998 35.861 -26.158 1.00 35.17 N +ATOM 6793 N PRO D 186 21.649 39.595 -23.495 1.00 21.00 N +ATOM 6794 CA PRO D 186 21.258 40.940 -23.926 1.00 21.25 C +ATOM 6795 C PRO D 186 20.492 40.987 -25.247 1.00 20.93 C +ATOM 6796 O PRO D 186 21.060 40.779 -26.316 1.00 19.72 O +ATOM 6797 CB PRO D 186 22.592 41.686 -23.982 1.00 21.42 C +ATOM 6798 CG PRO D 186 23.580 40.596 -24.291 1.00 24.46 C +ATOM 6799 CD PRO D 186 23.115 39.469 -23.407 1.00 21.71 C +ATOM 6800 N VAL D 187 19.191 41.245 -25.159 1.00 22.13 N +ATOM 6801 CA VAL D 187 18.350 41.348 -26.345 1.00 21.51 C +ATOM 6802 C VAL D 187 17.992 42.821 -26.492 1.00 21.81 C +ATOM 6803 O VAL D 187 18.252 43.612 -25.585 1.00 21.78 O +ATOM 6804 CB VAL D 187 17.068 40.491 -26.216 1.00 22.82 C +ATOM 6805 CG1 VAL D 187 17.444 39.017 -26.113 1.00 22.69 C +ATOM 6806 CG2 VAL D 187 16.263 40.918 -24.999 1.00 24.25 C +ATOM 6807 N GLN D 188 17.408 43.196 -27.625 1.00 21.68 N +ATOM 6808 CA GLN D 188 17.062 44.590 -27.867 1.00 21.03 C +ATOM 6809 C GLN D 188 16.222 45.241 -26.786 1.00 19.82 C +ATOM 6810 O GLN D 188 15.301 44.636 -26.236 1.00 18.69 O +ATOM 6811 CB GLN D 188 16.365 44.744 -29.217 1.00 22.85 C +ATOM 6812 CG GLN D 188 17.298 45.241 -30.299 1.00 26.47 C +ATOM 6813 CD GLN D 188 16.678 45.206 -31.672 1.00 25.53 C +ATOM 6814 OE1 GLN D 188 15.640 45.821 -31.917 1.00 27.35 O +ATOM 6815 NE2 GLN D 188 17.316 44.486 -32.584 1.00 28.33 N +ATOM 6816 N LEU D 189 16.558 46.492 -26.498 1.00 18.37 N +ATOM 6817 CA LEU D 189 15.870 47.274 -25.486 1.00 16.51 C +ATOM 6818 C LEU D 189 15.002 48.340 -26.134 1.00 17.73 C +ATOM 6819 O LEU D 189 15.295 48.813 -27.238 1.00 18.30 O +ATOM 6820 CB LEU D 189 16.892 47.961 -24.568 1.00 17.50 C +ATOM 6821 CG LEU D 189 17.647 47.101 -23.552 1.00 17.17 C +ATOM 6822 CD1 LEU D 189 18.871 47.846 -23.039 1.00 17.52 C +ATOM 6823 CD2 LEU D 189 16.712 46.747 -22.413 1.00 18.71 C +ATOM 6824 N PRO D 190 13.902 48.713 -25.467 1.00 16.23 N +ATOM 6825 CA PRO D 190 13.002 49.740 -25.984 1.00 16.36 C +ATOM 6826 C PRO D 190 13.558 51.084 -25.541 1.00 17.03 C +ATOM 6827 O PRO D 190 14.659 51.156 -24.989 1.00 16.57 O +ATOM 6828 CB PRO D 190 11.688 49.417 -25.291 1.00 15.68 C +ATOM 6829 CG PRO D 190 12.142 48.952 -23.954 1.00 17.98 C +ATOM 6830 CD PRO D 190 13.303 48.036 -24.301 1.00 16.42 C +ATOM 6831 N GLY D 191 12.799 52.143 -25.786 1.00 17.03 N +ATOM 6832 CA GLY D 191 13.223 53.462 -25.366 1.00 17.30 C +ATOM 6833 C GLY D 191 12.397 53.842 -24.152 1.00 16.36 C +ATOM 6834 O GLY D 191 11.896 52.975 -23.441 1.00 18.17 O +ATOM 6835 N TYR D 192 12.257 55.138 -23.918 1.00 16.69 N +ATOM 6836 CA TYR D 192 11.476 55.658 -22.802 1.00 16.64 C +ATOM 6837 C TYR D 192 10.003 55.412 -23.141 1.00 17.76 C +ATOM 6838 O TYR D 192 9.500 55.959 -24.124 1.00 17.10 O +ATOM 6839 CB TYR D 192 11.735 57.162 -22.674 1.00 15.28 C +ATOM 6840 CG TYR D 192 11.337 57.776 -21.353 1.00 14.90 C +ATOM 6841 CD1 TYR D 192 12.228 57.810 -20.280 1.00 12.38 C +ATOM 6842 CD2 TYR D 192 10.075 58.340 -21.180 1.00 13.77 C +ATOM 6843 CE1 TYR D 192 11.871 58.398 -19.066 1.00 13.38 C +ATOM 6844 CE2 TYR D 192 9.709 58.924 -19.972 1.00 12.81 C +ATOM 6845 CZ TYR D 192 10.607 58.951 -18.924 1.00 12.44 C +ATOM 6846 OH TYR D 192 10.233 59.531 -17.736 1.00 11.82 O +ATOM 6847 N TYR D 193 9.311 54.594 -22.347 1.00 15.66 N +ATOM 6848 CA TYR D 193 7.906 54.310 -22.624 1.00 15.33 C +ATOM 6849 C TYR D 193 7.102 53.899 -21.381 1.00 14.89 C +ATOM 6850 O TYR D 193 7.640 53.844 -20.271 1.00 14.85 O +ATOM 6851 CB TYR D 193 7.799 53.237 -23.724 1.00 13.49 C +ATOM 6852 CG TYR D 193 7.911 51.795 -23.263 1.00 15.26 C +ATOM 6853 CD1 TYR D 193 9.107 51.285 -22.749 1.00 16.28 C +ATOM 6854 CD2 TYR D 193 6.826 50.927 -23.385 1.00 15.80 C +ATOM 6855 CE1 TYR D 193 9.217 49.936 -22.371 1.00 14.45 C +ATOM 6856 CE2 TYR D 193 6.925 49.587 -23.015 1.00 14.63 C +ATOM 6857 CZ TYR D 193 8.121 49.096 -22.513 1.00 14.51 C +ATOM 6858 OH TYR D 193 8.210 47.755 -22.194 1.00 14.57 O +ATOM 6859 N TYR D 194 5.818 53.612 -21.569 1.00 15.12 N +ATOM 6860 CA TYR D 194 4.946 53.250 -20.447 1.00 15.76 C +ATOM 6861 C TYR D 194 4.172 51.945 -20.578 1.00 16.84 C +ATOM 6862 O TYR D 194 3.879 51.484 -21.681 1.00 16.46 O +ATOM 6863 CB TYR D 194 3.928 54.369 -20.191 1.00 15.50 C +ATOM 6864 CG TYR D 194 4.540 55.692 -19.800 1.00 16.25 C +ATOM 6865 CD1 TYR D 194 5.134 56.519 -20.752 1.00 16.01 C +ATOM 6866 CD2 TYR D 194 4.545 56.108 -18.467 1.00 13.94 C +ATOM 6867 CE1 TYR D 194 5.721 57.732 -20.385 1.00 14.99 C +ATOM 6868 CE2 TYR D 194 5.126 57.309 -18.092 1.00 13.09 C +ATOM 6869 CZ TYR D 194 5.711 58.117 -19.052 1.00 13.23 C +ATOM 6870 OH TYR D 194 6.286 59.307 -18.669 1.00 12.42 O +ATOM 6871 N VAL D 195 3.824 51.369 -19.429 1.00 16.25 N +ATOM 6872 CA VAL D 195 3.042 50.138 -19.379 1.00 14.18 C +ATOM 6873 C VAL D 195 1.875 50.321 -18.414 1.00 13.68 C +ATOM 6874 O VAL D 195 2.073 50.619 -17.232 1.00 15.02 O +ATOM 6875 CB VAL D 195 3.895 48.934 -18.920 1.00 14.14 C +ATOM 6876 CG1 VAL D 195 2.994 47.729 -18.634 1.00 12.05 C +ATOM 6877 CG2 VAL D 195 4.908 48.576 -20.001 1.00 9.92 C +ATOM 6878 N ASP D 196 0.656 50.177 -18.925 1.00 13.73 N +ATOM 6879 CA ASP D 196 -0.535 50.304 -18.087 1.00 15.34 C +ATOM 6880 C ASP D 196 -0.907 48.911 -17.603 1.00 17.23 C +ATOM 6881 O ASP D 196 -0.750 47.937 -18.338 1.00 16.92 O +ATOM 6882 CB ASP D 196 -1.718 50.879 -18.871 1.00 15.29 C +ATOM 6883 CG ASP D 196 -1.500 52.316 -19.307 1.00 17.43 C +ATOM 6884 OD1 ASP D 196 -1.050 53.141 -18.481 1.00 14.78 O +ATOM 6885 OD2 ASP D 196 -1.793 52.621 -20.483 1.00 17.41 O +ATOM 6886 N SER D 197 -1.406 48.819 -16.374 1.00 16.75 N +ATOM 6887 CA SER D 197 -1.799 47.532 -15.816 1.00 17.16 C +ATOM 6888 C SER D 197 -2.947 47.694 -14.835 1.00 16.71 C +ATOM 6889 O SER D 197 -3.066 48.717 -14.162 1.00 18.40 O +ATOM 6890 CB SER D 197 -0.629 46.880 -15.067 1.00 17.65 C +ATOM 6891 OG SER D 197 0.560 46.880 -15.834 1.00 23.18 O +ATOM 6892 N LYS D 198 -3.795 46.677 -14.770 1.00 14.46 N +ATOM 6893 CA LYS D 198 -4.902 46.657 -13.834 1.00 13.54 C +ATOM 6894 C LYS D 198 -5.014 45.210 -13.383 1.00 14.86 C +ATOM 6895 O LYS D 198 -5.318 44.314 -14.177 1.00 14.69 O +ATOM 6896 CB LYS D 198 -6.207 47.128 -14.480 1.00 14.61 C +ATOM 6897 CG LYS D 198 -7.399 47.074 -13.524 1.00 15.39 C +ATOM 6898 CD LYS D 198 -8.579 47.884 -14.024 1.00 19.16 C +ATOM 6899 CE LYS D 198 -9.832 47.606 -13.197 1.00 21.76 C +ATOM 6900 NZ LYS D 198 -9.599 47.628 -11.714 1.00 20.68 N +ATOM 6901 N LEU D 199 -4.721 44.989 -12.107 1.00 14.29 N +ATOM 6902 CA LEU D 199 -4.760 43.658 -11.518 1.00 14.40 C +ATOM 6903 C LEU D 199 -5.954 43.563 -10.584 1.00 15.09 C +ATOM 6904 O LEU D 199 -6.104 44.376 -9.666 1.00 15.63 O +ATOM 6905 CB LEU D 199 -3.461 43.404 -10.745 1.00 13.83 C +ATOM 6906 CG LEU D 199 -3.183 42.027 -10.134 1.00 13.30 C +ATOM 6907 CD1 LEU D 199 -1.706 41.949 -9.747 1.00 12.35 C +ATOM 6908 CD2 LEU D 199 -4.066 41.782 -8.915 1.00 15.48 C +ATOM 6909 N ASP D 200 -6.801 42.568 -10.823 1.00 15.10 N +ATOM 6910 CA ASP D 200 -7.988 42.359 -10.010 1.00 14.91 C +ATOM 6911 C ASP D 200 -7.936 41.004 -9.323 1.00 14.96 C +ATOM 6912 O ASP D 200 -7.545 40.011 -9.933 1.00 11.90 O +ATOM 6913 CB ASP D 200 -9.259 42.372 -10.869 1.00 16.78 C +ATOM 6914 CG ASP D 200 -9.360 43.586 -11.768 1.00 17.81 C +ATOM 6915 OD1 ASP D 200 -9.163 44.717 -11.279 1.00 16.63 O +ATOM 6916 OD2 ASP D 200 -9.660 43.400 -12.965 1.00 17.82 O +ATOM 6917 N ILE D 201 -8.324 40.969 -8.055 1.00 14.15 N +ATOM 6918 CA ILE D 201 -8.399 39.709 -7.339 1.00 15.73 C +ATOM 6919 C ILE D 201 -9.771 39.208 -7.782 1.00 16.37 C +ATOM 6920 O ILE D 201 -10.792 39.810 -7.442 1.00 19.17 O +ATOM 6921 CB ILE D 201 -8.401 39.912 -5.810 1.00 14.97 C +ATOM 6922 CG1 ILE D 201 -7.047 40.466 -5.355 1.00 14.99 C +ATOM 6923 CG2 ILE D 201 -8.707 38.587 -5.112 1.00 12.60 C +ATOM 6924 CD1 ILE D 201 -5.855 39.648 -5.842 1.00 15.58 C +ATOM 6925 N THR D 202 -9.802 38.132 -8.560 1.00 16.95 N +ATOM 6926 CA THR D 202 -11.069 37.613 -9.054 1.00 17.08 C +ATOM 6927 C THR D 202 -11.697 36.557 -8.153 1.00 19.57 C +ATOM 6928 O THR D 202 -12.865 36.208 -8.318 1.00 17.84 O +ATOM 6929 CB THR D 202 -10.916 37.038 -10.477 1.00 17.35 C +ATOM 6930 OG1 THR D 202 -9.929 35.999 -10.476 1.00 17.18 O +ATOM 6931 CG2 THR D 202 -10.494 38.127 -11.440 1.00 16.35 C +ATOM 6932 N SER D 203 -10.931 36.061 -7.189 1.00 18.66 N +ATOM 6933 CA SER D 203 -11.456 35.048 -6.290 1.00 18.85 C +ATOM 6934 C SER D 203 -10.542 34.850 -5.095 1.00 19.26 C +ATOM 6935 O SER D 203 -9.346 35.133 -5.168 1.00 19.20 O +ATOM 6936 CB SER D 203 -11.614 33.721 -7.038 1.00 19.40 C +ATOM 6937 OG SER D 203 -12.143 32.719 -6.188 1.00 23.03 O +ATOM 6938 N HIS D 204 -11.114 34.369 -3.995 1.00 18.10 N +ATOM 6939 CA HIS D 204 -10.349 34.107 -2.784 1.00 18.21 C +ATOM 6940 C HIS D 204 -11.259 33.541 -1.706 1.00 19.34 C +ATOM 6941 O HIS D 204 -12.430 33.913 -1.621 1.00 19.48 O +ATOM 6942 CB HIS D 204 -9.683 35.396 -2.277 1.00 17.71 C +ATOM 6943 CG HIS D 204 -10.641 36.412 -1.729 1.00 18.18 C +ATOM 6944 ND1 HIS D 204 -11.251 36.277 -0.500 1.00 19.94 N +ATOM 6945 CD2 HIS D 204 -11.063 37.598 -2.228 1.00 18.10 C +ATOM 6946 CE1 HIS D 204 -12.004 37.337 -0.264 1.00 18.02 C +ATOM 6947 NE2 HIS D 204 -11.907 38.154 -1.297 1.00 17.73 N +ATOM 6948 N ASN D 205 -10.734 32.624 -0.896 1.00 19.68 N +ATOM 6949 CA ASN D 205 -11.531 32.066 0.185 1.00 19.98 C +ATOM 6950 C ASN D 205 -11.425 33.047 1.351 1.00 20.78 C +ATOM 6951 O ASN D 205 -10.706 34.039 1.256 1.00 22.07 O +ATOM 6952 CB ASN D 205 -11.047 30.655 0.580 1.00 17.85 C +ATOM 6953 CG ASN D 205 -9.571 30.605 0.968 1.00 20.01 C +ATOM 6954 OD1 ASN D 205 -8.898 31.631 1.067 1.00 17.17 O +ATOM 6955 ND2 ASN D 205 -9.065 29.392 1.199 1.00 16.06 N +ATOM 6956 N GLU D 206 -12.145 32.779 2.436 1.00 22.39 N +ATOM 6957 CA GLU D 206 -12.158 33.662 3.602 1.00 25.05 C +ATOM 6958 C GLU D 206 -10.815 34.180 4.101 1.00 24.14 C +ATOM 6959 O GLU D 206 -10.660 35.379 4.339 1.00 23.83 O +ATOM 6960 CB GLU D 206 -12.849 32.984 4.785 1.00 28.76 C +ATOM 6961 CG GLU D 206 -14.313 32.689 4.611 1.00 35.58 C +ATOM 6962 CD GLU D 206 -14.959 32.298 5.927 1.00 39.16 C +ATOM 6963 OE1 GLU D 206 -15.186 33.198 6.764 1.00 41.05 O +ATOM 6964 OE2 GLU D 206 -15.222 31.094 6.133 1.00 42.70 O +ATOM 6965 N ASP D 207 -9.849 33.282 4.278 1.00 23.19 N +ATOM 6966 CA ASP D 207 -8.545 33.684 4.812 1.00 21.61 C +ATOM 6967 C ASP D 207 -7.429 33.889 3.796 1.00 20.44 C +ATOM 6968 O ASP D 207 -6.258 33.966 4.166 1.00 19.61 O +ATOM 6969 CB ASP D 207 -8.090 32.671 5.862 1.00 21.85 C +ATOM 6970 CG ASP D 207 -7.937 31.282 5.293 1.00 20.04 C +ATOM 6971 OD1 ASP D 207 -8.106 31.127 4.068 1.00 21.05 O +ATOM 6972 OD2 ASP D 207 -7.645 30.346 6.066 1.00 21.19 O +ATOM 6973 N TYR D 208 -7.792 33.985 2.524 1.00 19.24 N +ATOM 6974 CA TYR D 208 -6.825 34.193 1.457 1.00 18.58 C +ATOM 6975 C TYR D 208 -5.732 33.133 1.347 1.00 17.92 C +ATOM 6976 O TYR D 208 -4.577 33.456 1.073 1.00 18.18 O +ATOM 6977 CB TYR D 208 -6.176 35.574 1.590 1.00 18.11 C +ATOM 6978 CG TYR D 208 -7.106 36.715 1.248 1.00 19.49 C +ATOM 6979 CD1 TYR D 208 -8.084 37.137 2.148 1.00 19.24 C +ATOM 6980 CD2 TYR D 208 -7.024 37.356 0.011 1.00 17.78 C +ATOM 6981 CE1 TYR D 208 -8.957 38.170 1.827 1.00 20.68 C +ATOM 6982 CE2 TYR D 208 -7.894 38.391 -0.321 1.00 19.92 C +ATOM 6983 CZ TYR D 208 -8.857 38.791 0.592 1.00 20.68 C +ATOM 6984 OH TYR D 208 -9.724 39.809 0.269 1.00 24.04 O +ATOM 6985 N THR D 209 -6.082 31.875 1.580 1.00 18.37 N +ATOM 6986 CA THR D 209 -5.103 30.805 1.437 1.00 17.26 C +ATOM 6987 C THR D 209 -5.243 30.247 0.022 1.00 17.97 C +ATOM 6988 O THR D 209 -4.401 29.485 -0.457 1.00 18.30 O +ATOM 6989 CB THR D 209 -5.310 29.704 2.485 1.00 18.32 C +ATOM 6990 OG1 THR D 209 -6.695 29.355 2.563 1.00 16.33 O +ATOM 6991 CG2 THR D 209 -4.826 30.189 3.843 1.00 19.93 C +ATOM 6992 N ILE D 210 -6.321 30.649 -0.646 1.00 15.92 N +ATOM 6993 CA ILE D 210 -6.577 30.262 -2.026 1.00 15.58 C +ATOM 6994 C ILE D 210 -7.024 31.553 -2.701 1.00 14.45 C +ATOM 6995 O ILE D 210 -7.992 32.177 -2.268 1.00 14.90 O +ATOM 6996 CB ILE D 210 -7.677 29.194 -2.133 1.00 17.04 C +ATOM 6997 CG1 ILE D 210 -7.200 27.900 -1.463 1.00 18.74 C +ATOM 6998 CG2 ILE D 210 -8.013 28.940 -3.611 1.00 18.11 C +ATOM 6999 CD1 ILE D 210 -8.211 26.759 -1.514 1.00 22.88 C +ATOM 7000 N VAL D 211 -6.314 31.953 -3.754 1.00 13.56 N +ATOM 7001 CA VAL D 211 -6.613 33.209 -4.438 1.00 14.85 C +ATOM 7002 C VAL D 211 -6.430 33.127 -5.949 1.00 15.68 C +ATOM 7003 O VAL D 211 -5.576 32.389 -6.438 1.00 17.43 O +ATOM 7004 CB VAL D 211 -5.684 34.341 -3.915 1.00 14.63 C +ATOM 7005 CG1 VAL D 211 -6.067 35.677 -4.544 1.00 14.52 C +ATOM 7006 CG2 VAL D 211 -5.748 34.413 -2.397 1.00 12.98 C +ATOM 7007 N GLU D 212 -7.239 33.891 -6.678 1.00 15.38 N +ATOM 7008 CA GLU D 212 -7.156 33.943 -8.135 1.00 16.59 C +ATOM 7009 C GLU D 212 -7.045 35.405 -8.554 1.00 14.94 C +ATOM 7010 O GLU D 212 -7.687 36.276 -7.968 1.00 16.35 O +ATOM 7011 CB GLU D 212 -8.383 33.276 -8.772 1.00 17.42 C +ATOM 7012 CG GLU D 212 -8.266 31.754 -8.827 1.00 19.65 C +ATOM 7013 CD GLU D 212 -9.445 31.071 -9.506 1.00 22.28 C +ATOM 7014 OE1 GLU D 212 -9.909 31.565 -10.555 1.00 22.26 O +ATOM 7015 OE2 GLU D 212 -9.896 30.024 -8.997 1.00 24.44 O +ATOM 7016 N GLN D 213 -6.220 35.670 -9.561 1.00 13.91 N +ATOM 7017 CA GLN D 213 -5.998 37.033 -10.024 1.00 13.49 C +ATOM 7018 C GLN D 213 -6.066 37.149 -11.533 1.00 15.64 C +ATOM 7019 O GLN D 213 -5.829 36.182 -12.257 1.00 15.63 O +ATOM 7020 CB GLN D 213 -4.616 37.521 -9.571 1.00 13.50 C +ATOM 7021 CG GLN D 213 -4.330 37.334 -8.097 1.00 13.28 C +ATOM 7022 CD GLN D 213 -2.903 37.699 -7.710 1.00 14.34 C +ATOM 7023 OE1 GLN D 213 -2.533 37.602 -6.545 1.00 15.30 O +ATOM 7024 NE2 GLN D 213 -2.096 38.117 -8.687 1.00 9.81 N +ATOM 7025 N TYR D 214 -6.382 38.349 -12.001 1.00 15.49 N +ATOM 7026 CA TYR D 214 -6.437 38.623 -13.429 1.00 15.84 C +ATOM 7027 C TYR D 214 -5.737 39.951 -13.668 1.00 15.83 C +ATOM 7028 O TYR D 214 -5.960 40.919 -12.936 1.00 15.90 O +ATOM 7029 CB TYR D 214 -7.879 38.718 -13.926 1.00 17.66 C +ATOM 7030 CG TYR D 214 -7.967 39.351 -15.296 1.00 21.32 C +ATOM 7031 CD1 TYR D 214 -7.708 38.611 -16.452 1.00 22.43 C +ATOM 7032 CD2 TYR D 214 -8.237 40.711 -15.433 1.00 20.85 C +ATOM 7033 CE1 TYR D 214 -7.717 39.218 -17.712 1.00 22.66 C +ATOM 7034 CE2 TYR D 214 -8.243 41.326 -16.685 1.00 22.72 C +ATOM 7035 CZ TYR D 214 -7.984 40.577 -17.817 1.00 23.83 C +ATOM 7036 OH TYR D 214 -7.995 41.194 -19.050 1.00 23.98 O +ATOM 7037 N GLU D 215 -4.886 39.998 -14.686 1.00 16.87 N +ATOM 7038 CA GLU D 215 -4.179 41.225 -14.998 1.00 15.66 C +ATOM 7039 C GLU D 215 -4.220 41.554 -16.477 1.00 16.17 C +ATOM 7040 O GLU D 215 -4.013 40.687 -17.332 1.00 15.45 O +ATOM 7041 CB GLU D 215 -2.707 41.143 -14.565 1.00 18.70 C +ATOM 7042 CG GLU D 215 -1.873 42.347 -15.036 1.00 21.10 C +ATOM 7043 CD GLU D 215 -0.361 42.135 -14.925 1.00 22.15 C +ATOM 7044 OE1 GLU D 215 0.117 41.018 -15.221 1.00 23.59 O +ATOM 7045 OE2 GLU D 215 0.352 43.097 -14.564 1.00 21.95 O +ATOM 7046 N ARG D 216 -4.513 42.812 -16.768 1.00 13.67 N +ATOM 7047 CA ARG D 216 -4.507 43.293 -18.135 1.00 14.30 C +ATOM 7048 C ARG D 216 -3.366 44.289 -18.122 1.00 14.02 C +ATOM 7049 O ARG D 216 -3.351 45.192 -17.290 1.00 12.91 O +ATOM 7050 CB ARG D 216 -5.802 44.013 -18.507 1.00 15.22 C +ATOM 7051 CG ARG D 216 -5.756 44.495 -19.954 1.00 16.49 C +ATOM 7052 CD ARG D 216 -6.909 45.398 -20.343 1.00 18.65 C +ATOM 7053 NE ARG D 216 -6.624 46.081 -21.605 1.00 19.62 N +ATOM 7054 CZ ARG D 216 -7.360 47.063 -22.118 1.00 20.77 C +ATOM 7055 NH1 ARG D 216 -8.442 47.492 -21.483 1.00 19.54 N +ATOM 7056 NH2 ARG D 216 -7.010 47.622 -23.268 1.00 19.13 N +ATOM 7057 N THR D 217 -2.402 44.118 -19.019 1.00 14.90 N +ATOM 7058 CA THR D 217 -1.261 45.020 -19.067 1.00 14.84 C +ATOM 7059 C THR D 217 -0.822 45.244 -20.516 1.00 15.17 C +ATOM 7060 O THR D 217 -0.676 44.298 -21.289 1.00 12.93 O +ATOM 7061 CB THR D 217 -0.098 44.460 -18.202 1.00 16.31 C +ATOM 7062 OG1 THR D 217 1.023 45.351 -18.257 1.00 16.78 O +ATOM 7063 CG2 THR D 217 0.310 43.073 -18.677 1.00 14.96 C +ATOM 7064 N GLU D 218 -0.629 46.509 -20.879 1.00 14.31 N +ATOM 7065 CA GLU D 218 -0.251 46.867 -22.236 1.00 15.56 C +ATOM 7066 C GLU D 218 0.771 47.993 -22.255 1.00 15.20 C +ATOM 7067 O GLU D 218 0.660 48.950 -21.492 1.00 14.94 O +ATOM 7068 CB GLU D 218 -1.503 47.294 -23.011 1.00 18.10 C +ATOM 7069 CG GLU D 218 -1.328 47.376 -24.513 1.00 24.84 C +ATOM 7070 CD GLU D 218 -2.637 47.664 -25.231 1.00 27.10 C +ATOM 7071 OE1 GLU D 218 -3.670 47.082 -24.838 1.00 28.96 O +ATOM 7072 OE2 GLU D 218 -2.629 48.462 -26.192 1.00 32.30 O +ATOM 7073 N GLY D 219 1.762 47.867 -23.131 1.00 14.70 N +ATOM 7074 CA GLY D 219 2.793 48.883 -23.243 1.00 17.04 C +ATOM 7075 C GLY D 219 2.465 49.854 -24.358 1.00 17.28 C +ATOM 7076 O GLY D 219 1.714 49.523 -25.275 1.00 16.77 O +ATOM 7077 N ARG D 220 3.022 51.055 -24.286 1.00 16.18 N +ATOM 7078 CA ARG D 220 2.768 52.055 -25.310 1.00 18.70 C +ATOM 7079 C ARG D 220 3.584 53.318 -25.091 1.00 18.13 C +ATOM 7080 O ARG D 220 4.180 53.503 -24.032 1.00 16.61 O +ATOM 7081 CB ARG D 220 1.272 52.392 -25.347 1.00 18.63 C +ATOM 7082 CG ARG D 220 0.620 52.623 -23.984 1.00 22.34 C +ATOM 7083 CD ARG D 220 0.573 54.092 -23.622 1.00 21.87 C +ATOM 7084 NE ARG D 220 0.030 54.326 -22.283 1.00 23.03 N +ATOM 7085 CZ ARG D 220 0.188 55.464 -21.615 1.00 20.59 C +ATOM 7086 NH1 ARG D 220 0.864 56.459 -22.169 1.00 20.51 N +ATOM 7087 NH2 ARG D 220 -0.297 55.599 -20.387 1.00 19.71 N +ATOM 7088 N HIS D 221 3.640 54.164 -26.114 1.00 19.55 N +ATOM 7089 CA HIS D 221 4.358 55.430 -26.012 1.00 20.34 C +ATOM 7090 C HIS D 221 3.467 56.377 -25.223 1.00 19.63 C +ATOM 7091 O HIS D 221 2.259 56.154 -25.110 1.00 18.97 O +ATOM 7092 CB HIS D 221 4.595 56.039 -27.393 1.00 20.92 C +ATOM 7093 CG HIS D 221 5.474 55.216 -28.280 1.00 21.71 C +ATOM 7094 ND1 HIS D 221 6.813 55.018 -28.023 1.00 21.53 N +ATOM 7095 CD2 HIS D 221 5.210 54.556 -29.432 1.00 22.29 C +ATOM 7096 CE1 HIS D 221 7.337 54.274 -28.980 1.00 22.07 C +ATOM 7097 NE2 HIS D 221 6.385 53.980 -29.847 1.00 22.11 N +ATOM 7098 N HIS D 222 4.063 57.427 -24.671 1.00 19.28 N +ATOM 7099 CA HIS D 222 3.303 58.425 -23.928 1.00 19.49 C +ATOM 7100 C HIS D 222 2.276 58.936 -24.941 1.00 23.04 C +ATOM 7101 O HIS D 222 2.570 58.992 -26.140 1.00 22.09 O +ATOM 7102 CB HIS D 222 4.248 59.546 -23.482 1.00 18.92 C +ATOM 7103 CG HIS D 222 3.585 60.633 -22.693 1.00 18.73 C +ATOM 7104 ND1 HIS D 222 2.761 61.576 -23.268 1.00 16.81 N +ATOM 7105 CD2 HIS D 222 3.642 60.938 -21.373 1.00 18.44 C +ATOM 7106 CE1 HIS D 222 2.341 62.417 -22.339 1.00 18.34 C +ATOM 7107 NE2 HIS D 222 2.861 62.051 -21.180 1.00 16.52 N +ATOM 7108 N LEU D 223 1.074 59.288 -24.487 1.00 24.69 N +ATOM 7109 CA LEU D 223 0.049 59.774 -25.406 1.00 28.47 C +ATOM 7110 C LEU D 223 0.600 60.928 -26.235 1.00 30.83 C +ATOM 7111 O LEU D 223 -0.120 61.573 -26.993 1.00 30.52 O +ATOM 7112 CB LEU D 223 -1.205 60.198 -24.639 1.00 27.76 C +ATOM 7113 CG LEU D 223 -1.853 59.045 -23.864 1.00 30.29 C +ATOM 7114 CD1 LEU D 223 -3.109 59.536 -23.166 1.00 31.02 C +ATOM 7115 CD2 LEU D 223 -2.179 57.899 -24.818 1.00 30.56 C +ATOM 7116 N PHE D 224 1.903 61.146 -26.077 1.00 35.59 N +ATOM 7117 CA PHE D 224 2.677 62.162 -26.776 1.00 38.52 C +ATOM 7118 C PHE D 224 1.991 63.484 -26.970 1.00 39.83 C +ATOM 7119 O PHE D 224 1.922 63.999 -28.089 1.00 39.45 O +ATOM 7120 CB PHE D 224 3.160 61.636 -28.130 1.00 39.08 C +ATOM 7121 CG PHE D 224 4.563 61.094 -28.103 1.00 40.04 C +ATOM 7122 CD1 PHE D 224 5.271 61.006 -26.904 1.00 40.59 C +ATOM 7123 CD2 PHE D 224 5.179 60.678 -29.275 1.00 41.03 C +ATOM 7124 CE1 PHE D 224 6.571 60.512 -26.874 1.00 39.85 C +ATOM 7125 CE2 PHE D 224 6.482 60.181 -29.257 1.00 41.93 C +ATOM 7126 CZ PHE D 224 7.180 60.098 -28.052 1.00 41.73 C +ATOM 7127 N LEU D 225 1.503 64.040 -25.867 1.00 40.81 N +ATOM 7128 CA LEU D 225 0.835 65.325 -25.903 1.00 43.11 C +ATOM 7129 C LEU D 225 1.726 66.328 -26.637 1.00 44.56 C +ATOM 7130 O LEU D 225 1.346 66.752 -27.752 1.00 44.41 O +ATOM 7131 CB LEU D 225 0.559 65.811 -24.479 1.00 41.30 C +ATOM 7132 CG LEU D 225 -0.390 64.981 -23.616 1.00 40.23 C +ATOM 7133 CD1 LEU D 225 -0.782 65.813 -22.415 1.00 38.51 C +ATOM 7134 CD2 LEU D 225 -1.633 64.590 -24.396 1.00 38.14 C +ATOM 7135 OXT LEU D 225 2.803 66.664 -26.094 1.00 46.69 O +TER 7136 LEU D 225 +HETATM 7137 O HOH A 226 17.341 64.423 17.952 1.00 9.58 O +HETATM 7138 O HOH A 227 19.265 67.945 20.503 1.00 14.09 O +HETATM 7139 O HOH A 228 7.584 63.674 0.957 1.00 16.45 O +HETATM 7140 O HOH A 229 19.876 60.935 23.251 1.00 14.29 O +HETATM 7141 O HOH A 230 22.376 59.730 14.324 1.00 15.43 O +HETATM 7142 O HOH A 231 23.347 67.151 9.530 1.00 19.54 O +HETATM 7143 O HOH A 232 17.491 68.185 24.073 1.00 17.25 O +HETATM 7144 O HOH A 233 9.832 62.750 4.047 1.00 20.32 O +HETATM 7145 O HOH A 234 41.181 71.907 15.208 1.00 17.97 O +HETATM 7146 O HOH A 235 33.704 72.664 11.593 1.00 15.30 O +HETATM 7147 O HOH A 236 41.333 70.081 3.027 1.00 27.56 O +HETATM 7148 O HOH A 237 3.288 63.023 -0.976 1.00 21.71 O +HETATM 7149 O HOH A 238 35.080 79.881 23.411 1.00 13.26 O +HETATM 7150 O HOH A 239 9.813 72.257 22.743 1.00 17.05 O +HETATM 7151 O HOH A 240 7.500 72.502 19.393 1.00 14.13 O +HETATM 7152 O HOH A 241 2.162 67.658 10.620 1.00 12.97 O +HETATM 7153 O HOH A 242 25.957 78.840 11.026 1.00 12.20 O +HETATM 7154 O HOH A 243 7.101 71.688 22.076 1.00 16.61 O +HETATM 7155 O HOH A 244 4.734 76.729 17.760 1.00 19.83 O +HETATM 7156 O HOH A 245 36.903 74.217 19.369 1.00 16.60 O +HETATM 7157 O HOH A 246 14.182 67.718 24.621 1.00 23.96 O +HETATM 7158 O HOH A 247 34.786 61.035 1.902 1.00 21.39 O +HETATM 7159 O HOH A 248 22.270 57.050 13.313 1.00 12.92 O +HETATM 7160 O HOH A 249 4.101 65.979 11.106 1.00 15.68 O +HETATM 7161 O HOH A 250 25.636 58.886 20.340 1.00 13.55 O +HETATM 7162 O HOH A 251 4.681 70.944 19.125 1.00 14.89 O +HETATM 7163 O HOH A 252 19.013 62.165 18.242 1.00 16.84 O +HETATM 7164 O HOH A 253 24.467 66.246 16.398 1.00 13.91 O +HETATM 7165 O HOH A 254 24.697 75.066 16.056 1.00 14.70 O +HETATM 7166 O HOH A 255 31.606 56.486 19.092 1.00 20.46 O +HETATM 7167 O HOH A 256 21.823 70.929 26.016 1.00 17.40 O +HETATM 7168 O HOH A 257 24.858 56.887 5.253 1.00 12.05 O +HETATM 7169 O HOH A 258 10.235 55.670 11.020 1.00 15.39 O +HETATM 7170 O HOH A 259 38.260 62.895 19.598 1.00 17.20 O +HETATM 7171 O HOH A 260 21.396 79.899 11.389 1.00 16.82 O +HETATM 7172 O HOH A 261 35.217 70.472 10.861 1.00 19.74 O +HETATM 7173 O HOH A 262 5.514 74.889 19.651 1.00 17.95 O +HETATM 7174 O HOH A 263 14.756 70.611 22.077 1.00 13.42 O +HETATM 7175 O HOH A 264 28.138 69.974 12.634 1.00 23.49 O +HETATM 7176 O HOH A 265 15.454 69.632 26.182 1.00 22.59 O +HETATM 7177 O HOH A 266 25.170 68.341 14.611 1.00 12.70 O +HETATM 7178 O HOH A 267 1.518 62.010 10.721 1.00 16.17 O +HETATM 7179 O HOH A 268 31.355 95.916 8.193 1.00 17.99 O +HETATM 7180 O HOH A 269 17.203 63.289 0.803 1.00 17.45 O +HETATM 7181 O HOH A 270 2.894 84.014 27.339 1.00 20.54 O +HETATM 7182 O HOH A 271 38.519 57.972 20.010 1.00 18.34 O +HETATM 7183 O HOH A 272 24.623 65.318 3.830 1.00 15.80 O +HETATM 7184 O HOH A 273 11.037 71.345 24.856 1.00 16.13 O +HETATM 7185 O HOH A 274 9.303 87.112 4.549 1.00 26.51 O +HETATM 7186 O HOH A 275 41.304 73.842 12.856 1.00 13.96 O +HETATM 7187 O HOH A 276 2.371 81.181 0.135 1.00 27.54 O +HETATM 7188 O HOH A 277 18.301 62.893 24.685 1.00 20.35 O +HETATM 7189 O HOH A 278 20.674 58.475 3.934 1.00 24.33 O +HETATM 7190 O HOH A 279 12.536 60.053 8.394 1.00 21.01 O +HETATM 7191 O HOH A 280 30.652 89.155 19.122 1.00 21.53 O +HETATM 7192 O HOH A 281 38.542 74.737 16.862 1.00 22.38 O +HETATM 7193 O HOH A 282 13.855 71.323 24.520 1.00 18.15 O +HETATM 7194 O HOH A 283 14.970 59.570 5.409 1.00 16.35 O +HETATM 7195 O HOH A 284 20.998 58.873 0.267 1.00 28.43 O +HETATM 7196 O HOH A 285 40.702 63.924 19.203 1.00 26.49 O +HETATM 7197 O HOH A 286 35.627 73.918 0.778 1.00 25.08 O +HETATM 7198 O HOH A 287 23.911 72.020 -1.086 1.00 25.32 O +HETATM 7199 O HOH A 288 39.108 81.712 11.086 1.00 28.39 O +HETATM 7200 O HOH A 289 7.264 56.104 7.428 1.00 27.27 O +HETATM 7201 O HOH A 290 38.446 74.066 21.979 1.00 30.38 O +HETATM 7202 O HOH A 291 2.883 63.622 4.033 1.00 17.55 O +HETATM 7203 O HOH A 292 1.794 60.988 6.465 1.00 21.93 O +HETATM 7204 O HOH A 293 35.246 58.623 13.589 1.00 18.49 O +HETATM 7205 O HOH A 294 33.395 89.346 21.100 1.00 27.70 O +HETATM 7206 O HOH A 295 13.457 72.322 20.107 1.00 11.09 O +HETATM 7207 O HOH A 296 6.333 75.783 2.603 1.00 18.80 O +HETATM 7208 O HOH A 297 26.703 62.876 0.198 1.00 18.23 O +HETATM 7209 O HOH A 298 24.457 74.328 10.030 1.00 20.39 O +HETATM 7210 O HOH A 299 39.106 85.763 22.991 1.00 17.89 O +HETATM 7211 O HOH A 300 37.371 64.280 21.840 1.00 23.00 O +HETATM 7212 O HOH A 301 31.238 64.919 21.741 1.00 23.18 O +HETATM 7213 O HOH A 302 25.313 86.326 6.680 1.00 21.49 O +HETATM 7214 O HOH A 303 3.652 61.775 2.068 1.00 28.27 O +HETATM 7215 O HOH A 304 38.160 47.277 17.708 1.00 27.43 O +HETATM 7216 O HOH A 305 -0.565 83.327 12.420 1.00 24.93 O +HETATM 7217 O HOH A 306 9.129 74.027 24.522 1.00 23.39 O +HETATM 7218 O HOH A 307 10.226 83.255 26.042 1.00 29.71 O +HETATM 7219 O HOH A 308 -1.253 84.524 20.196 1.00 24.37 O +HETATM 7220 O HOH A 309 1.273 83.227 5.037 1.00 30.61 O +HETATM 7221 O HOH A 310 25.509 71.842 28.833 1.00 30.79 O +HETATM 7222 O HOH A 311 41.638 80.059 8.099 1.00 26.49 O +HETATM 7223 O HOH A 312 33.030 74.366 14.480 1.00 26.82 O +HETATM 7224 O HOH A 313 34.418 84.902 -0.323 1.00 35.50 O +HETATM 7225 O HOH A 314 44.235 74.414 8.838 1.00 30.11 O +HETATM 7226 O HOH A 315 39.810 65.407 4.293 1.00 22.57 O +HETATM 7227 O HOH A 316 31.996 87.525 6.480 1.00 26.94 O +HETATM 7228 O HOH A 317 39.344 71.670 21.884 1.00 30.03 O +HETATM 7229 O HOH A 318 36.477 86.851 23.977 1.00 38.30 O +HETATM 7230 O HOH A 319 2.251 59.592 20.127 1.00 33.19 O +HETATM 7231 O HOH A 320 4.659 81.502 17.216 1.00 27.96 O +HETATM 7232 O HOH A 321 13.341 63.629 0.371 1.00 36.89 O +HETATM 7233 O HOH A 322 4.472 82.914 -1.552 1.00 43.97 O +HETATM 7234 O HOH A 323 14.919 63.514 26.650 1.00 25.75 O +HETATM 7235 O HOH A 324 10.856 90.380 10.044 1.00 31.90 O +HETATM 7236 O HOH A 325 14.297 77.249 31.707 1.00 27.62 O +HETATM 7237 O HOH A 326 38.410 61.641 11.904 1.00 23.66 O +HETATM 7238 O HOH A 327 5.153 58.463 15.469 1.00 29.18 O +HETATM 7239 O HOH A 328 10.178 80.228 2.606 1.00 30.94 O +HETATM 7240 O HOH A 329 0.107 62.993 27.301 1.00 30.79 O +HETATM 7241 O HOH A 330 34.507 61.224 -2.679 1.00 24.38 O +HETATM 7242 O HOH A 331 12.201 84.392 1.567 1.00 31.88 O +HETATM 7243 O HOH A 332 27.672 65.603 -3.023 1.00 41.97 O +HETATM 7244 O HOH A 333 42.388 68.614 21.624 1.00 35.60 O +HETATM 7245 O HOH A 334 23.275 79.534 1.254 1.00 25.16 O +HETATM 7246 O HOH A 335 34.136 63.793 -3.255 1.00 26.16 O +HETATM 7247 O HOH A 336 6.029 56.560 9.898 1.00 22.20 O +HETATM 7248 O HOH A 337 18.763 80.006 26.516 1.00 24.21 O +HETATM 7249 O HOH A 338 1.366 77.328 21.835 1.00 26.92 O +HETATM 7250 O HOH A 339 21.337 62.178 -0.272 1.00 23.66 O +HETATM 7251 O HOH A 340 11.562 62.899 2.204 1.00 33.51 O +HETATM 7252 O HOH A 341 26.230 76.053 11.166 1.00 19.23 O +HETATM 7253 O HOH A 342 35.952 89.079 15.657 1.00 23.29 O +HETATM 7254 O HOH A 343 36.497 66.365 -0.650 1.00 32.17 O +HETATM 7255 O HOH A 344 5.226 90.733 19.729 1.00 31.77 O +HETATM 7256 O HOH A 345 42.859 75.739 6.543 1.00 25.57 O +HETATM 7257 O HOH A 346 27.586 63.054 -3.705 1.00 35.89 O +HETATM 7258 O HOH A 347 16.549 85.387 5.392 1.00 32.46 O +HETATM 7259 O HOH A 348 23.821 88.727 21.484 1.00 33.60 O +HETATM 7260 O HOH A 349 23.236 82.242 0.860 1.00 34.72 O +HETATM 7261 O HOH A 350 28.532 92.196 6.864 1.00 36.50 O +HETATM 7262 O HOH A 351 20.654 88.437 10.572 1.00 30.02 O +HETATM 7263 O HOH A 352 38.469 68.810 22.329 1.00 31.75 O +HETATM 7264 O HOH A 353 37.751 59.436 13.181 1.00 32.17 O +HETATM 7265 O HOH A 354 40.168 65.052 22.309 1.00 30.95 O +HETATM 7266 O HOH A 355 43.402 72.448 11.524 1.00 37.60 O +HETATM 7267 O HOH A 356 23.569 59.486 1.482 1.00 32.69 O +HETATM 7268 O HOH A 357 8.760 84.209 4.743 1.00 30.97 O +HETATM 7269 O HOH A 358 38.853 64.195 11.161 1.00 33.45 O +HETATM 7270 O HOH A 359 40.481 70.083 0.507 1.00 37.17 O +HETATM 7271 O HOH A 360 44.453 70.580 3.711 1.00 33.74 O +HETATM 7272 O HOH A 361 38.710 59.914 7.597 1.00 33.91 O +HETATM 7273 O HOH A 362 0.309 60.661 8.570 1.00 40.78 O +HETATM 7274 O HOH A 363 17.574 59.723 2.694 1.00 35.96 O +HETATM 7275 O HOH A 364 1.734 84.522 23.802 1.00 34.75 O +HETATM 7276 O HOH A 365 4.741 88.351 17.397 1.00 38.28 O +HETATM 7277 O HOH A 366 27.132 90.049 6.329 1.00 38.66 O +HETATM 7278 O HOH A 367 42.464 79.745 1.987 1.00 35.04 O +HETATM 7279 O HOH A 368 1.463 84.334 7.444 1.00 34.33 O +HETATM 7280 O HOH A 369 43.225 78.329 6.819 1.00 35.03 O +HETATM 7281 O HOH A 370 20.522 59.880 -2.133 1.00 37.05 O +HETATM 7282 O HOH A 371 0.540 87.874 12.832 1.00 39.99 O +HETATM 7283 O HOH A 372 16.243 66.064 27.295 1.00 34.92 O +HETATM 7284 O HOH A 373 2.568 78.420 18.047 1.00 40.01 O +HETATM 7285 O HOH A 374 28.028 79.123 12.716 1.00 18.52 O +HETATM 7286 O HOH A 375 30.972 70.451 12.739 1.00 25.56 O +HETATM 7287 O HOH B 226 8.057 55.832 18.613 1.00 13.44 O +HETATM 7288 O HOH B 227 26.980 49.925 -5.931 1.00 15.37 O +HETATM 7289 O HOH B 228 23.732 44.836 31.130 1.00 22.31 O +HETATM 7290 O HOH B 229 15.591 59.614 12.366 1.00 10.88 O +HETATM 7291 O HOH B 230 27.478 55.885 12.008 1.00 10.46 O +HETATM 7292 O HOH B 231 23.358 36.690 11.763 1.00 9.98 O +HETATM 7293 O HOH B 232 9.764 47.589 28.622 1.00 14.97 O +HETATM 7294 O HOH B 233 21.372 60.962 16.647 1.00 13.71 O +HETATM 7295 O HOH B 234 33.476 44.475 6.049 1.00 10.78 O +HETATM 7296 O HOH B 235 25.133 57.093 12.373 1.00 12.33 O +HETATM 7297 O HOH B 236 29.839 58.269 17.135 1.00 11.33 O +HETATM 7298 O HOH B 237 32.208 49.027 11.440 1.00 13.46 O +HETATM 7299 O HOH B 238 22.649 37.822 18.387 1.00 16.22 O +HETATM 7300 O HOH B 239 30.352 28.168 -3.968 1.00 12.73 O +HETATM 7301 O HOH B 240 34.249 56.249 12.596 1.00 12.61 O +HETATM 7302 O HOH B 241 27.152 60.699 22.371 1.00 14.05 O +HETATM 7303 O HOH B 242 24.166 59.802 11.870 1.00 18.41 O +HETATM 7304 O HOH B 243 18.883 53.062 -2.258 1.00 21.15 O +HETATM 7305 O HOH B 244 33.795 40.117 -3.029 1.00 30.21 O +HETATM 7306 O HOH B 245 22.793 42.788 23.375 1.00 26.83 O +HETATM 7307 O HOH B 246 23.543 70.173 27.793 1.00 25.40 O +HETATM 7308 O HOH B 247 23.814 42.845 29.405 1.00 17.76 O +HETATM 7309 O HOH B 248 30.027 52.431 8.731 1.00 9.70 O +HETATM 7310 O HOH B 249 18.715 46.829 24.253 1.00 12.90 O +HETATM 7311 O HOH B 250 26.550 42.055 15.719 1.00 18.41 O +HETATM 7312 O HOH B 251 20.349 49.582 12.457 1.00 19.90 O +HETATM 7313 O HOH B 252 13.610 52.681 3.842 1.00 12.18 O +HETATM 7314 O HOH B 253 36.645 44.376 3.384 1.00 17.99 O +HETATM 7315 O HOH B 254 34.214 43.703 0.028 1.00 15.77 O +HETATM 7316 O HOH B 255 26.594 43.446 28.463 1.00 17.33 O +HETATM 7317 O HOH B 256 11.487 54.031 7.431 1.00 18.88 O +HETATM 7318 O HOH B 257 29.976 54.678 10.278 1.00 11.14 O +HETATM 7319 O HOH B 258 10.956 53.547 12.629 1.00 21.34 O +HETATM 7320 O HOH B 259 27.213 48.140 -7.745 1.00 14.37 O +HETATM 7321 O HOH B 260 21.606 37.811 15.764 1.00 15.17 O +HETATM 7322 O HOH B 261 24.832 48.798 15.481 1.00 18.68 O +HETATM 7323 O HOH B 262 25.106 53.621 31.523 1.00 19.94 O +HETATM 7324 O HOH B 263 27.381 53.752 -8.326 1.00 18.11 O +HETATM 7325 O HOH B 264 10.368 44.125 10.330 1.00 14.98 O +HETATM 7326 O HOH B 265 16.096 52.004 -5.098 1.00 19.53 O +HETATM 7327 O HOH B 266 15.567 57.793 7.623 1.00 18.75 O +HETATM 7328 O HOH B 267 14.451 50.990 11.920 1.00 18.69 O +HETATM 7329 O HOH B 268 21.695 40.761 15.987 1.00 14.78 O +HETATM 7330 O HOH B 269 26.834 50.755 15.391 1.00 14.46 O +HETATM 7331 O HOH B 270 22.271 55.989 1.363 1.00 21.68 O +HETATM 7332 O HOH B 271 18.573 56.590 2.845 1.00 17.09 O +HETATM 7333 O HOH B 272 26.970 49.009 34.211 1.00 23.30 O +HETATM 7334 O HOH B 273 36.895 44.712 0.533 1.00 17.95 O +HETATM 7335 O HOH B 274 36.832 46.395 15.582 1.00 24.23 O +HETATM 7336 O HOH B 275 20.666 51.740 -8.832 1.00 18.57 O +HETATM 7337 O HOH B 276 12.682 32.512 26.073 1.00 32.11 O +HETATM 7338 O HOH B 277 12.034 33.946 10.138 1.00 34.75 O +HETATM 7339 O HOH B 278 14.505 58.705 9.822 1.00 16.16 O +HETATM 7340 O HOH B 279 22.602 46.960 18.058 1.00 28.35 O +HETATM 7341 O HOH B 280 34.832 46.260 7.537 1.00 18.86 O +HETATM 7342 O HOH B 281 18.979 23.088 23.132 1.00 37.64 O +HETATM 7343 O HOH B 282 9.750 55.577 20.941 1.00 12.89 O +HETATM 7344 O HOH B 283 26.126 54.763 29.058 1.00 20.98 O +HETATM 7345 O HOH B 284 37.461 49.133 7.765 1.00 20.90 O +HETATM 7346 O HOH B 285 17.432 35.401 -1.178 1.00 27.70 O +HETATM 7347 O HOH B 286 15.774 52.344 -9.914 1.00 16.78 O +HETATM 7348 O HOH B 287 17.605 53.328 27.703 1.00 20.84 O +HETATM 7349 O HOH B 288 33.264 60.565 -0.421 1.00 19.05 O +HETATM 7350 O HOH B 289 28.793 51.421 27.743 1.00 23.67 O +HETATM 7351 O HOH B 290 37.920 33.048 -7.851 1.00 27.76 O +HETATM 7352 O HOH B 291 28.594 28.260 23.177 1.00 26.03 O +HETATM 7353 O HOH B 292 21.201 45.565 31.473 1.00 26.01 O +HETATM 7354 O HOH B 293 36.249 54.100 11.496 1.00 14.85 O +HETATM 7355 O HOH B 294 15.341 33.483 8.244 1.00 29.38 O +HETATM 7356 O HOH B 295 10.685 39.601 6.123 1.00 29.30 O +HETATM 7357 O HOH B 296 40.724 32.872 -3.392 1.00 28.93 O +HETATM 7358 O HOH B 297 24.610 43.916 -12.211 1.00 28.33 O +HETATM 7359 O HOH B 298 28.310 43.799 30.618 1.00 28.62 O +HETATM 7360 O HOH B 299 20.478 31.332 -2.052 1.00 25.10 O +HETATM 7361 O HOH B 300 37.453 45.639 7.183 1.00 17.91 O +HETATM 7362 O HOH B 301 23.074 57.448 3.367 1.00 17.79 O +HETATM 7363 O HOH B 302 9.271 42.737 22.090 1.00 18.72 O +HETATM 7364 O HOH B 303 19.787 44.501 23.433 1.00 24.30 O +HETATM 7365 O HOH B 304 12.331 56.766 9.964 1.00 23.30 O +HETATM 7366 O HOH B 305 20.914 42.555 13.908 1.00 24.85 O +HETATM 7367 O HOH B 306 29.855 32.101 32.035 1.00 27.55 O +HETATM 7368 O HOH B 307 31.395 37.846 28.248 1.00 20.67 O +HETATM 7369 O HOH B 308 22.822 54.892 -9.950 1.00 19.11 O +HETATM 7370 O HOH B 309 18.643 55.739 27.306 1.00 24.27 O +HETATM 7371 O HOH B 310 38.847 42.915 3.422 1.00 26.61 O +HETATM 7372 O HOH B 311 20.751 58.662 24.639 1.00 16.09 O +HETATM 7373 O HOH B 312 34.863 45.399 -2.499 1.00 20.12 O +HETATM 7374 O HOH B 313 38.773 45.642 4.959 1.00 24.18 O +HETATM 7375 O HOH B 314 27.582 57.446 27.882 1.00 31.67 O +HETATM 7376 O HOH B 315 13.075 36.591 10.614 1.00 24.85 O +HETATM 7377 O HOH B 316 23.639 62.462 -1.715 1.00 26.92 O +HETATM 7378 O HOH B 317 15.940 29.028 20.883 1.00 27.55 O +HETATM 7379 O HOH B 318 28.995 65.128 29.229 1.00 29.19 O +HETATM 7380 O HOH B 319 24.958 60.396 -0.650 1.00 24.46 O +HETATM 7381 O HOH B 320 38.767 57.220 6.965 1.00 29.79 O +HETATM 7382 O HOH B 321 12.112 36.051 23.447 1.00 30.48 O +HETATM 7383 O HOH B 322 19.478 43.571 30.896 1.00 19.74 O +HETATM 7384 O HOH B 323 21.513 46.669 20.718 1.00 23.59 O +HETATM 7385 O HOH B 324 29.152 28.671 25.844 1.00 30.91 O +HETATM 7386 O HOH B 325 16.581 53.495 -1.102 1.00 28.49 O +HETATM 7387 O HOH B 326 22.328 59.759 -4.150 1.00 27.69 O +HETATM 7388 O HOH B 327 25.519 54.932 -10.336 1.00 28.37 O +HETATM 7389 O HOH B 328 25.372 59.452 -4.454 1.00 22.88 O +HETATM 7390 O HOH B 329 35.859 49.201 10.803 1.00 26.46 O +HETATM 7391 O HOH B 330 34.515 38.021 -5.126 1.00 28.33 O +HETATM 7392 O HOH B 331 37.702 34.291 21.065 1.00 41.15 O +HETATM 7393 O HOH B 332 38.517 37.475 13.409 1.00 27.54 O +HETATM 7394 O HOH B 333 30.108 52.523 23.122 1.00 28.43 O +HETATM 7395 O HOH B 334 35.852 32.737 14.774 1.00 31.32 O +HETATM 7396 O HOH B 335 38.944 30.148 19.438 1.00 31.40 O +HETATM 7397 O HOH B 336 15.418 56.683 4.546 1.00 32.57 O +HETATM 7398 O HOH B 337 13.658 48.875 32.388 1.00 24.22 O +HETATM 7399 O HOH B 338 16.469 31.363 0.062 1.00 34.16 O +HETATM 7400 O HOH B 339 5.113 52.649 20.119 1.00 27.34 O +HETATM 7401 O HOH B 340 43.566 52.883 -5.981 1.00 34.85 O +HETATM 7402 O HOH B 341 36.604 43.039 -2.913 1.00 27.19 O +HETATM 7403 O HOH B 342 22.708 31.845 32.827 1.00 36.70 O +HETATM 7404 O HOH B 343 45.161 34.836 7.796 1.00 29.05 O +HETATM 7405 O HOH B 344 23.341 45.762 -13.467 1.00 33.94 O +HETATM 7406 O HOH B 345 12.792 29.824 17.661 1.00 38.32 O +HETATM 7407 O HOH B 346 26.159 59.909 29.303 1.00 32.81 O +HETATM 7408 O HOH B 347 40.627 40.575 -3.321 1.00 32.74 O +HETATM 7409 O HOH B 348 37.850 29.867 -5.168 1.00 32.42 O +HETATM 7410 O HOH B 349 38.691 47.312 9.262 1.00 26.89 O +HETATM 7411 O HOH B 350 36.539 56.367 -5.536 1.00 37.21 O +HETATM 7412 O HOH B 351 42.621 31.047 -2.832 1.00 34.24 O +HETATM 7413 O HOH B 352 37.220 52.920 -5.251 1.00 33.78 O +HETATM 7414 O HOH B 353 14.660 57.506 26.427 1.00 34.85 O +HETATM 7415 O HOH B 354 30.530 32.776 -9.352 1.00 28.83 O +HETATM 7416 O HOH B 355 11.650 48.905 30.599 1.00 35.18 O +HETATM 7417 O HOH B 356 40.389 51.378 16.989 1.00 34.76 O +HETATM 7418 O HOH B 357 41.188 33.975 -5.881 1.00 44.36 O +HETATM 7419 O HOH C 226 5.167 58.822 -13.845 1.00 11.44 O +HETATM 7420 O HOH C 227 -7.490 70.660 -11.066 1.00 14.81 O +HETATM 7421 O HOH C 228 21.750 71.687 -18.784 1.00 12.37 O +HETATM 7422 O HOH C 229 22.827 66.655 -10.639 1.00 12.25 O +HETATM 7423 O HOH C 230 7.519 60.107 -22.619 1.00 13.33 O +HETATM 7424 O HOH C 231 -10.626 60.283 -19.156 1.00 16.43 O +HETATM 7425 O HOH C 232 1.910 57.518 -19.786 1.00 19.84 O +HETATM 7426 O HOH C 233 -8.704 68.242 -10.267 1.00 15.01 O +HETATM 7427 O HOH C 234 0.397 54.698 -11.403 1.00 11.07 O +HETATM 7428 O HOH C 235 9.714 63.809 -17.356 1.00 9.30 O +HETATM 7429 O HOH C 236 12.510 59.296 -4.813 1.00 19.54 O +HETATM 7430 O HOH C 237 12.817 72.072 -19.596 1.00 16.34 O +HETATM 7431 O HOH C 238 19.456 64.212 -0.267 1.00 16.01 O +HETATM 7432 O HOH C 239 -7.515 56.522 -12.989 1.00 16.16 O +HETATM 7433 O HOH C 240 2.550 64.972 -15.970 1.00 9.83 O +HETATM 7434 O HOH C 241 2.562 64.437 -3.200 1.00 17.29 O +HETATM 7435 O HOH C 242 1.467 67.073 -14.078 1.00 14.08 O +HETATM 7436 O HOH C 243 -14.321 67.273 -2.419 1.00 25.35 O +HETATM 7437 O HOH C 244 24.612 68.715 -10.135 1.00 15.67 O +HETATM 7438 O HOH C 245 -12.250 72.305 -16.749 1.00 25.57 O +HETATM 7439 O HOH C 246 5.520 56.110 -12.805 1.00 16.17 O +HETATM 7440 O HOH C 247 -14.529 68.962 -14.790 1.00 26.67 O +HETATM 7441 O HOH C 248 20.627 56.877 -6.898 1.00 25.61 O +HETATM 7442 O HOH C 249 2.879 55.867 -4.665 1.00 10.98 O +HETATM 7443 O HOH C 250 -7.149 85.784 -6.241 1.00 19.81 O +HETATM 7444 O HOH C 251 -3.585 54.715 -18.327 1.00 15.73 O +HETATM 7445 O HOH C 252 13.328 58.609 -9.418 1.00 19.05 O +HETATM 7446 O HOH C 253 24.263 64.687 -3.384 1.00 17.99 O +HETATM 7447 O HOH C 254 16.657 72.252 -22.146 1.00 14.61 O +HETATM 7448 O HOH C 255 2.476 78.620 -0.931 1.00 20.08 O +HETATM 7449 O HOH C 256 -13.834 70.033 -17.178 1.00 13.51 O +HETATM 7450 O HOH C 257 7.667 67.123 -19.974 1.00 14.94 O +HETATM 7451 O HOH C 258 10.133 62.979 -0.244 1.00 11.80 O +HETATM 7452 O HOH C 259 -2.145 77.645 -12.369 1.00 17.88 O +HETATM 7453 O HOH C 260 1.470 73.695 -15.438 1.00 22.49 O +HETATM 7454 O HOH C 261 2.607 71.126 1.511 1.00 18.07 O +HETATM 7455 O HOH C 262 -12.658 68.978 -21.501 1.00 18.16 O +HETATM 7456 O HOH C 263 -15.733 77.596 -7.804 1.00 21.67 O +HETATM 7457 O HOH C 264 17.927 56.109 -10.167 1.00 16.54 O +HETATM 7458 O HOH C 265 -9.340 77.414 -23.209 1.00 13.61 O +HETATM 7459 O HOH C 266 11.855 70.317 -21.608 1.00 15.14 O +HETATM 7460 O HOH C 267 9.089 62.156 -23.974 1.00 15.56 O +HETATM 7461 O HOH C 268 -12.529 63.230 -3.921 1.00 21.12 O +HETATM 7462 O HOH C 269 4.259 79.088 -11.047 1.00 16.09 O +HETATM 7463 O HOH C 270 17.316 62.951 -3.516 1.00 20.16 O +HETATM 7464 O HOH C 271 1.703 72.979 -9.702 1.00 18.42 O +HETATM 7465 O HOH C 272 -1.862 53.237 -9.610 1.00 17.54 O +HETATM 7466 O HOH C 273 -5.742 87.207 -18.805 1.00 19.44 O +HETATM 7467 O HOH C 274 0.930 61.626 -0.005 1.00 24.15 O +HETATM 7468 O HOH C 275 -9.457 71.857 -0.514 1.00 16.95 O +HETATM 7469 O HOH C 276 25.242 63.983 -20.126 1.00 20.91 O +HETATM 7470 O HOH C 277 5.940 61.365 0.835 1.00 26.57 O +HETATM 7471 O HOH C 278 27.733 73.379 -6.348 1.00 30.67 O +HETATM 7472 O HOH C 279 -15.648 66.036 -21.226 1.00 28.95 O +HETATM 7473 O HOH C 280 15.018 60.110 -7.979 1.00 24.13 O +HETATM 7474 O HOH C 281 0.481 62.372 3.553 1.00 29.82 O +HETATM 7475 O HOH C 282 -9.018 73.998 1.212 1.00 36.71 O +HETATM 7476 O HOH C 283 4.637 70.107 -25.501 1.00 22.88 O +HETATM 7477 O HOH C 284 20.632 75.522 -19.034 1.00 23.55 O +HETATM 7478 O HOH C 285 12.719 71.011 -24.028 1.00 18.54 O +HETATM 7479 O HOH C 286 -14.843 70.988 -12.678 1.00 16.60 O +HETATM 7480 O HOH C 287 -16.890 72.866 -6.065 1.00 21.28 O +HETATM 7481 O HOH C 288 -0.018 77.814 -10.618 1.00 19.46 O +HETATM 7482 O HOH C 289 21.260 77.469 -17.280 1.00 19.05 O +HETATM 7483 O HOH C 290 22.556 74.426 -24.413 1.00 32.35 O +HETATM 7484 O HOH C 291 -11.993 71.502 -21.583 1.00 19.96 O +HETATM 7485 O HOH C 292 15.054 80.813 -2.175 1.00 32.40 O +HETATM 7486 O HOH C 293 -5.793 85.006 -3.432 1.00 36.95 O +HETATM 7487 O HOH C 294 -7.219 59.016 -1.256 1.00 29.98 O +HETATM 7488 O HOH C 295 -10.591 55.481 -19.393 1.00 26.63 O +HETATM 7489 O HOH C 296 16.657 66.212 -26.275 1.00 36.36 O +HETATM 7490 O HOH C 297 9.464 67.562 -23.508 1.00 21.65 O +HETATM 7491 O HOH C 298 23.890 63.999 1.388 1.00 18.77 O +HETATM 7492 O HOH C 299 -9.568 95.818 -11.826 1.00 37.14 O +HETATM 7493 O HOH C 300 22.190 73.809 -20.425 1.00 28.29 O +HETATM 7494 O HOH C 301 18.727 72.823 -18.944 1.00 13.91 O +HETATM 7495 O HOH C 302 3.389 66.062 -8.940 1.00 15.47 O +HETATM 7496 O HOH C 303 15.510 71.228 -24.404 1.00 20.35 O +HETATM 7497 O HOH C 304 4.825 56.718 -2.775 1.00 19.29 O +HETATM 7498 O HOH C 305 -1.082 81.516 -26.941 1.00 28.45 O +HETATM 7499 O HOH C 306 -13.591 61.203 -18.862 1.00 22.78 O +HETATM 7500 O HOH C 307 23.086 70.635 -21.916 1.00 23.57 O +HETATM 7501 O HOH C 308 20.740 88.703 -13.675 1.00 24.19 O +HETATM 7502 O HOH C 309 11.324 69.299 -25.846 1.00 22.08 O +HETATM 7503 O HOH C 310 22.746 84.226 -26.934 1.00 25.29 O +HETATM 7504 O HOH C 311 0.120 74.765 -10.837 1.00 21.96 O +HETATM 7505 O HOH C 312 25.737 63.115 -10.204 1.00 26.04 O +HETATM 7506 O HOH C 313 -4.386 68.508 -12.266 1.00 22.51 O +HETATM 7507 O HOH C 314 -8.673 87.038 -20.262 1.00 27.38 O +HETATM 7508 O HOH C 315 -6.803 72.493 -14.080 1.00 26.85 O +HETATM 7509 O HOH C 316 11.966 63.204 -25.930 1.00 27.18 O +HETATM 7510 O HOH C 317 -10.711 71.717 -18.953 1.00 17.86 O +HETATM 7511 O HOH C 318 -11.353 77.102 -25.018 1.00 22.92 O +HETATM 7512 O HOH C 319 18.551 54.058 -8.810 1.00 18.68 O +HETATM 7513 O HOH C 320 -12.257 62.385 -10.407 1.00 31.36 O +HETATM 7514 O HOH C 321 -7.251 62.004 3.862 1.00 26.47 O +HETATM 7515 O HOH C 322 26.023 84.459 -11.912 1.00 30.32 O +HETATM 7516 O HOH C 323 20.878 81.836 -16.730 1.00 21.20 O +HETATM 7517 O HOH C 324 11.245 76.875 -31.186 1.00 21.26 O +HETATM 7518 O HOH C 325 7.051 57.857 -3.240 1.00 22.82 O +HETATM 7519 O HOH C 326 17.003 74.067 -23.982 1.00 23.10 O +HETATM 7520 O HOH C 327 25.559 60.248 -19.493 1.00 33.35 O +HETATM 7521 O HOH C 328 -18.550 71.440 -7.893 1.00 32.23 O +HETATM 7522 O HOH C 329 14.161 59.604 -25.263 1.00 28.37 O +HETATM 7523 O HOH C 330 -9.436 45.301 -17.043 1.00 20.29 O +HETATM 7524 O HOH C 331 -8.745 64.095 -21.380 1.00 30.95 O +HETATM 7525 O HOH C 332 -0.231 88.285 -25.514 1.00 40.64 O +HETATM 7526 O HOH C 333 16.546 84.659 -4.725 1.00 26.03 O +HETATM 7527 O HOH C 334 25.666 61.848 -5.827 1.00 38.92 O +HETATM 7528 O HOH C 335 27.685 69.519 -3.355 1.00 42.58 O +HETATM 7529 O HOH C 336 -16.730 66.896 -12.472 1.00 34.51 O +HETATM 7530 O HOH C 337 5.822 89.583 -14.830 1.00 30.59 O +HETATM 7531 O HOH C 338 -4.339 63.104 -21.135 1.00 24.02 O +HETATM 7532 O HOH C 339 23.099 79.252 -17.591 1.00 23.31 O +HETATM 7533 O HOH C 340 -13.589 79.294 -10.497 1.00 32.69 O +HETATM 7534 O HOH C 341 21.694 57.145 -9.241 1.00 30.20 O +HETATM 7535 O HOH C 342 19.584 72.298 -21.549 1.00 29.66 O +HETATM 7536 O HOH C 343 -8.644 57.643 -20.384 1.00 33.15 O +HETATM 7537 O HOH C 344 -9.618 87.573 -17.734 1.00 28.49 O +HETATM 7538 O HOH C 345 -13.380 69.470 -1.088 1.00 20.09 O +HETATM 7539 O HOH C 346 9.555 63.656 -26.486 1.00 25.78 O +HETATM 7540 O HOH C 347 18.474 74.290 -27.953 1.00 28.73 O +HETATM 7541 O HOH C 348 -1.821 68.160 -11.995 1.00 32.98 O +HETATM 7542 O HOH C 349 16.269 73.134 -26.335 1.00 31.21 O +HETATM 7543 O HOH C 350 26.986 61.939 -8.017 1.00 29.05 O +HETATM 7544 O HOH C 351 -17.158 75.504 -6.715 1.00 30.86 O +HETATM 7545 O HOH C 352 -10.156 89.414 -11.768 1.00 36.74 O +HETATM 7546 O HOH C 353 -16.627 81.419 -2.752 1.00 31.20 O +HETATM 7547 O HOH C 354 14.946 83.270 -25.773 1.00 35.98 O +HETATM 7548 O HOH C 355 12.488 67.524 -24.117 1.00 30.70 O +HETATM 7549 O HOH C 356 -11.489 66.634 -21.866 1.00 32.39 O +HETATM 7550 O HOH C 357 -10.148 61.693 -21.474 1.00 34.64 O +HETATM 7551 O HOH C 358 -11.049 59.665 -11.032 1.00 38.41 O +HETATM 7552 O HOH C 359 10.071 59.276 -2.008 1.00 39.65 O +HETATM 7553 O HOH C 360 4.105 58.529 -0.758 1.00 31.60 O +HETATM 7554 O HOH C 361 19.993 57.929 -24.348 1.00 40.40 O +HETATM 7555 O HOH C 362 3.906 60.694 -2.116 1.00 36.12 O +HETATM 7556 O HOH C 363 24.568 84.165 -4.757 1.00 29.49 O +HETATM 7557 O HOH C 364 26.774 84.863 -19.941 1.00 38.25 O +HETATM 7558 O HOH C 365 26.873 64.440 -27.021 1.00 32.50 O +HETATM 7559 O HOH C 366 -14.428 73.733 -15.899 1.00 35.60 O +HETATM 7560 O HOH C 367 28.558 70.972 -5.402 1.00 41.19 O +HETATM 7561 O HOH C 368 -11.194 57.522 -6.907 1.00 28.25 O +HETATM 7562 O HOH C 369 -14.952 73.611 -13.088 1.00 39.84 O +HETATM 7563 O HOH C 370 -11.521 69.564 1.087 1.00 33.73 O +HETATM 7564 O HOH C 371 23.329 84.815 -23.736 1.00 31.26 O +HETATM 7565 O HOH C 372 6.277 57.924 0.694 1.00 34.43 O +HETATM 7566 O HOH C 373 -11.071 87.303 -15.318 1.00 34.40 O +HETATM 7567 O HOH D 226 -4.321 42.628 -5.208 1.00 10.84 O +HETATM 7568 O HOH D 227 8.175 48.843 -11.684 1.00 11.41 O +HETATM 7569 O HOH D 228 -1.812 50.869 -8.182 1.00 10.98 O +HETATM 7570 O HOH D 229 6.309 35.904 -10.774 1.00 13.45 O +HETATM 7571 O HOH D 230 2.797 55.913 -11.732 1.00 11.10 O +HETATM 7572 O HOH D 231 6.061 59.887 -16.081 1.00 13.15 O +HETATM 7573 O HOH D 232 -3.557 47.309 -10.760 1.00 12.91 O +HETATM 7574 O HOH D 233 8.487 61.483 -17.685 1.00 9.54 O +HETATM 7575 O HOH D 234 11.869 51.722 5.865 1.00 16.91 O +HETATM 7576 O HOH D 235 9.151 43.673 -22.646 1.00 19.31 O +HETATM 7577 O HOH D 236 1.463 49.567 -14.593 1.00 9.49 O +HETATM 7578 O HOH D 237 -1.557 36.015 -27.338 1.00 14.42 O +HETATM 7579 O HOH D 238 6.853 36.695 -17.500 1.00 20.40 O +HETATM 7580 O HOH D 239 -6.120 43.601 3.462 1.00 19.17 O +HETATM 7581 O HOH D 240 19.793 56.226 -18.045 1.00 12.06 O +HETATM 7582 O HOH D 241 -12.531 41.926 -9.084 1.00 32.24 O +HETATM 7583 O HOH D 242 1.399 48.916 6.516 1.00 15.63 O +HETATM 7584 O HOH D 243 -5.298 42.011 0.865 1.00 15.44 O +HETATM 7585 O HOH D 244 -2.198 56.615 -16.548 1.00 14.39 O +HETATM 7586 O HOH D 245 10.124 46.188 -23.579 1.00 15.38 O +HETATM 7587 O HOH D 246 10.541 52.547 -27.229 1.00 16.86 O +HETATM 7588 O HOH D 247 -9.823 43.344 -19.262 1.00 28.12 O +HETATM 7589 O HOH D 248 12.260 57.575 -7.185 1.00 16.36 O +HETATM 7590 O HOH D 249 -6.433 54.093 -11.962 1.00 19.56 O +HETATM 7591 O HOH D 250 17.748 34.238 -9.098 1.00 32.48 O +HETATM 7592 O HOH D 251 -8.120 42.996 0.408 1.00 21.50 O +HETATM 7593 O HOH D 252 9.917 20.033 -25.073 1.00 45.83 O +HETATM 7594 O HOH D 253 -12.032 37.688 4.634 1.00 24.93 O +HETATM 7595 O HOH D 254 -5.447 58.781 1.012 1.00 11.24 O +HETATM 7596 O HOH D 255 11.940 59.390 -11.647 1.00 10.05 O +HETATM 7597 O HOH D 256 0.670 59.353 -21.630 1.00 17.82 O +HETATM 7598 O HOH D 257 7.855 37.184 -15.041 1.00 11.23 O +HETATM 7599 O HOH D 258 18.545 44.439 -9.518 1.00 15.73 O +HETATM 7600 O HOH D 259 3.552 58.747 -11.341 1.00 15.39 O +HETATM 7601 O HOH D 260 14.510 52.766 -3.209 1.00 14.82 O +HETATM 7602 O HOH D 261 7.545 39.985 -15.072 1.00 14.75 O +HETATM 7603 O HOH D 262 2.799 41.954 -27.689 1.00 20.30 O +HETATM 7604 O HOH D 263 9.269 52.716 2.845 1.00 13.53 O +HETATM 7605 O HOH D 264 -8.133 52.129 -10.718 1.00 21.13 O +HETATM 7606 O HOH D 265 8.148 41.787 -13.277 1.00 18.30 O +HETATM 7607 O HOH D 266 -5.807 39.579 2.553 1.00 16.62 O +HETATM 7608 O HOH D 267 6.905 57.631 -24.019 1.00 14.14 O +HETATM 7609 O HOH D 268 12.549 52.160 10.544 1.00 19.05 O +HETATM 7610 O HOH D 269 -6.038 44.321 -6.808 1.00 14.97 O +HETATM 7611 O HOH D 270 18.226 55.722 -20.329 1.00 20.68 O +HETATM 7612 O HOH D 271 5.568 55.287 -0.711 1.00 17.49 O +HETATM 7613 O HOH D 272 9.289 55.057 -26.681 1.00 22.28 O +HETATM 7614 O HOH D 273 1.845 26.621 -22.120 1.00 16.81 O +HETATM 7615 O HOH D 274 2.323 53.355 -28.485 1.00 24.04 O +HETATM 7616 O HOH D 275 1.410 47.175 8.446 1.00 15.21 O +HETATM 7617 O HOH D 276 5.360 43.734 -30.415 1.00 18.17 O +HETATM 7618 O HOH D 277 7.331 31.977 10.534 1.00 13.35 O +HETATM 7619 O HOH D 278 7.747 51.328 9.520 1.00 14.69 O +HETATM 7620 O HOH D 279 5.293 59.048 4.673 1.00 22.70 O +HETATM 7621 O HOH D 280 3.636 47.481 -14.960 1.00 13.03 O +HETATM 7622 O HOH D 281 3.044 52.482 -31.117 1.00 16.26 O +HETATM 7623 O HOH D 282 14.001 50.910 -11.321 1.00 18.84 O +HETATM 7624 O HOH D 283 -7.963 42.609 -2.333 1.00 16.73 O +HETATM 7625 O HOH D 284 19.889 42.811 -21.318 1.00 23.51 O +HETATM 7626 O HOH D 285 -7.331 47.100 -10.095 1.00 27.71 O +HETATM 7627 O HOH D 286 0.861 52.745 9.007 1.00 15.92 O +HETATM 7628 O HOH D 287 5.243 54.271 10.384 1.00 20.85 O +HETATM 7629 O HOH D 288 -8.124 44.291 -14.930 1.00 21.51 O +HETATM 7630 O HOH D 289 -7.932 41.218 3.590 1.00 24.89 O +HETATM 7631 O HOH D 290 9.639 43.030 -30.036 1.00 13.85 O +HETATM 7632 O HOH D 291 16.399 36.627 -9.718 1.00 19.51 O +HETATM 7633 O HOH D 292 -8.660 43.402 -6.737 1.00 21.83 O +HETATM 7634 O HOH D 293 18.581 32.824 -2.856 1.00 40.09 O +HETATM 7635 O HOH D 294 9.476 30.932 3.045 1.00 20.39 O +HETATM 7636 O HOH D 295 -0.259 26.949 4.763 1.00 20.90 O +HETATM 7637 O HOH D 296 0.878 26.994 -25.338 1.00 21.09 O +HETATM 7638 O HOH D 297 9.121 25.634 -25.517 1.00 34.83 O +HETATM 7639 O HOH D 298 20.384 52.701 -11.806 1.00 20.56 O +HETATM 7640 O HOH D 299 -0.604 26.585 -15.772 1.00 27.60 O +HETATM 7641 O HOH D 300 -11.636 39.740 3.156 1.00 30.53 O +HETATM 7642 O HOH D 301 -12.788 40.627 -2.036 1.00 22.25 O +HETATM 7643 O HOH D 302 5.342 41.729 -28.538 1.00 18.59 O +HETATM 7644 O HOH D 303 -1.290 40.592 11.774 1.00 28.08 O +HETATM 7645 O HOH D 304 3.834 26.579 -25.482 1.00 23.49 O +HETATM 7646 O HOH D 305 -9.088 47.168 -7.077 1.00 18.21 O +HETATM 7647 O HOH D 306 2.651 40.931 -14.940 1.00 24.99 O +HETATM 7648 O HOH D 307 2.497 59.373 1.233 1.00 22.14 O +HETATM 7649 O HOH D 308 -10.285 27.966 -10.830 1.00 19.46 O +HETATM 7650 O HOH D 309 16.682 54.021 -6.800 1.00 19.32 O +HETATM 7651 O HOH D 310 6.365 41.662 -22.575 1.00 28.92 O +HETATM 7652 O HOH D 311 -13.950 30.767 2.635 1.00 24.06 O +HETATM 7653 O HOH D 312 5.171 30.328 9.402 1.00 16.38 O +HETATM 7654 O HOH D 313 -11.293 41.107 -4.118 1.00 23.90 O +HETATM 7655 O HOH D 314 -0.244 51.722 -28.271 1.00 24.83 O +HETATM 7656 O HOH D 315 12.065 35.150 2.165 1.00 21.43 O +HETATM 7657 O HOH D 316 6.511 46.047 -17.270 1.00 21.32 O +HETATM 7658 O HOH D 317 -4.388 37.855 3.973 1.00 29.85 O +HETATM 7659 O HOH D 318 -0.338 49.416 -26.993 1.00 22.89 O +HETATM 7660 O HOH D 319 -8.870 35.079 -12.539 1.00 23.24 O +HETATM 7661 O HOH D 320 -10.811 55.023 -6.228 1.00 19.39 O +HETATM 7662 O HOH D 321 1.715 47.210 -33.634 1.00 22.25 O +HETATM 7663 O HOH D 322 4.776 34.025 12.655 1.00 31.90 O +HETATM 7664 O HOH D 323 0.233 30.460 -31.232 1.00 29.59 O +HETATM 7665 O HOH D 324 -9.371 40.461 -2.381 1.00 26.53 O +HETATM 7666 O HOH D 325 -8.486 55.275 6.451 1.00 26.93 O +HETATM 7667 O HOH D 326 13.950 31.170 0.627 1.00 23.46 O +HETATM 7668 O HOH D 327 23.079 53.080 -19.237 1.00 27.35 O +HETATM 7669 O HOH D 328 17.071 48.982 -29.257 1.00 23.87 O +HETATM 7670 O HOH D 329 -3.544 36.349 -29.472 1.00 24.96 O +HETATM 7671 O HOH D 330 16.982 51.574 -26.297 1.00 29.72 O +HETATM 7672 O HOH D 331 -9.905 45.088 -8.816 1.00 21.48 O +HETATM 7673 O HOH D 332 -12.909 49.188 -5.071 1.00 29.65 O +HETATM 7674 O HOH D 333 10.873 56.167 -28.883 1.00 35.84 O +HETATM 7675 O HOH D 334 14.458 28.842 -20.095 1.00 23.28 O +HETATM 7676 O HOH D 335 -6.252 59.629 3.261 1.00 35.43 O +HETATM 7677 O HOH D 336 4.178 42.705 12.780 1.00 35.37 O +HETATM 7678 O HOH D 337 15.443 56.915 -9.498 1.00 32.04 O +HETATM 7679 O HOH D 338 13.646 52.183 1.168 1.00 27.03 O +HETATM 7680 O HOH D 339 2.667 69.290 -27.492 1.00 38.77 O +HETATM 7681 O HOH D 340 -4.602 50.421 10.020 1.00 37.81 O +HETATM 7682 O HOH D 341 -7.351 32.051 -20.110 1.00 34.15 O +HETATM 7683 O HOH D 342 -11.058 51.481 -8.469 1.00 35.89 O +HETATM 7684 O HOH D 343 -14.654 37.363 -9.777 1.00 30.41 O +HETATM 7685 O HOH D 344 -11.808 42.879 -0.049 1.00 35.26 O +HETATM 7686 O HOH D 345 -4.951 35.937 5.821 1.00 39.08 O +HETATM 7687 O HOH D 346 0.419 44.514 -30.307 1.00 30.15 O +HETATM 7688 O HOH D 347 7.756 44.636 -30.768 1.00 23.75 O +HETATM 7689 O HOH D 348 17.249 53.713 -12.158 1.00 29.44 O +HETATM 7690 O HOH D 349 12.481 29.933 -13.691 1.00 28.17 O +HETATM 7691 O HOH D 350 -9.725 43.498 -4.140 1.00 25.74 O +HETATM 7692 O HOH D 351 2.974 29.884 10.903 1.00 34.00 O +HETATM 7693 O HOH D 352 7.142 45.881 -20.109 1.00 35.51 O +HETATM 7694 O HOH D 353 -2.296 24.555 -8.056 1.00 37.22 O +HETATM 7695 O HOH D 354 -14.554 29.863 -0.192 1.00 37.82 O +HETATM 7696 O HOH D 355 21.405 41.161 -19.621 1.00 32.88 O +HETATM 7697 O HOH D 356 -7.018 34.752 -20.523 1.00 42.66 O +HETATM 7698 O HOH D 357 -0.324 47.508 -29.663 1.00 24.57 O +HETATM 7699 O HOH D 358 10.692 28.596 2.933 1.00 31.81 O +HETATM 7700 O HOH D 359 -11.420 33.808 -10.493 1.00 34.84 O +HETATM 7701 O HOH D 360 22.342 50.897 -21.692 1.00 33.42 O +HETATM 7702 O HOH D 361 -0.126 31.346 10.073 1.00 27.57 O +HETATM 7703 O HOH D 362 12.198 56.734 -4.058 1.00 29.60 O +HETATM 7704 O HOH D 363 22.331 55.607 -18.627 1.00 34.04 O +HETATM 7705 O HOH D 364 -3.278 26.627 -16.110 1.00 35.86 O +HETATM 7706 O HOH D 365 15.081 48.471 -31.655 1.00 30.21 O +HETATM 7707 O HOH D 366 17.435 51.120 -30.788 1.00 31.21 O +HETATM 7708 O HOH D 367 2.442 58.563 5.159 1.00 28.33 O +HETATM 7709 O HOH D 368 9.215 56.270 -2.434 1.00 29.45 O +HETATM 7710 O HOH D 369 1.779 58.439 -28.851 1.00 31.42 O +HETATM 7711 O HOH D 370 17.109 29.817 -17.051 1.00 35.23 O +HETATM 7712 O HOH D 371 -15.798 50.031 4.727 1.00 32.94 O +HETATM 7713 O HOH D 372 -10.677 51.089 -10.988 1.00 24.78 O +HETATM 7714 O HOH D 373 0.959 41.902 -29.759 1.00 33.87 O +HETATM 7715 O HOH D 374 9.536 53.372 9.706 1.00 33.11 O +CONECT 467 476 +CONECT 476 467 477 +CONECT 477 476 478 480 +CONECT 478 477 479 +CONECT 479 478 498 +CONECT 480 477 481 482 +CONECT 481 480 485 +CONECT 482 480 483 486 +CONECT 483 482 484 485 +CONECT 484 483 +CONECT 485 481 483 487 +CONECT 486 482 496 +CONECT 487 485 488 +CONECT 488 487 489 490 +CONECT 489 488 491 +CONECT 490 488 492 +CONECT 491 489 493 +CONECT 492 490 493 +CONECT 493 491 492 494 +CONECT 494 493 +CONECT 495 498 +CONECT 496 486 497 500 +CONECT 497 496 +CONECT 498 479 495 499 +CONECT 499 498 +CONECT 500 496 +CONECT 2251 2260 +CONECT 2260 2251 2261 +CONECT 2261 2260 2262 2264 +CONECT 2262 2261 2263 +CONECT 2263 2262 2282 +CONECT 2264 2261 2265 2266 +CONECT 2265 2264 2269 +CONECT 2266 2264 2267 2270 +CONECT 2267 2266 2268 2269 +CONECT 2268 2267 +CONECT 2269 2265 2267 2271 +CONECT 2270 2266 2280 +CONECT 2271 2269 2272 +CONECT 2272 2271 2273 2274 +CONECT 2273 2272 2275 +CONECT 2274 2272 2276 +CONECT 2275 2273 2277 +CONECT 2276 2274 2277 +CONECT 2277 2275 2276 2278 +CONECT 2278 2277 +CONECT 2279 2282 +CONECT 2280 2270 2281 2284 +CONECT 2281 2280 +CONECT 2282 2263 2279 2283 +CONECT 2283 2282 +CONECT 2284 2280 +CONECT 4035 4044 +CONECT 4044 4035 4045 +CONECT 4045 4044 4046 4048 +CONECT 4046 4045 4047 +CONECT 4047 4046 4066 +CONECT 4048 4045 4049 4050 +CONECT 4049 4048 4053 +CONECT 4050 4048 4051 4054 +CONECT 4051 4050 4052 4053 +CONECT 4052 4051 +CONECT 4053 4049 4051 4055 +CONECT 4054 4050 4064 +CONECT 4055 4053 4056 +CONECT 4056 4055 4057 4058 +CONECT 4057 4056 4059 +CONECT 4058 4056 4060 +CONECT 4059 4057 4061 +CONECT 4060 4058 4061 +CONECT 4061 4059 4060 4062 +CONECT 4062 4061 +CONECT 4063 4066 +CONECT 4064 4054 4065 4068 +CONECT 4065 4064 +CONECT 4066 4047 4063 4067 +CONECT 4067 4066 +CONECT 4068 4064 +CONECT 5819 5828 +CONECT 5828 5819 5829 +CONECT 5829 5828 5830 5832 +CONECT 5830 5829 5831 +CONECT 5831 5830 5850 +CONECT 5832 5829 5833 5834 +CONECT 5833 5832 5837 +CONECT 5834 5832 5835 5838 +CONECT 5835 5834 5836 5837 +CONECT 5836 5835 +CONECT 5837 5833 5835 5839 +CONECT 5838 5834 5848 +CONECT 5839 5837 5840 +CONECT 5840 5839 5841 5842 +CONECT 5841 5840 5843 +CONECT 5842 5840 5844 +CONECT 5843 5841 5845 +CONECT 5844 5842 5845 +CONECT 5845 5843 5844 5846 +CONECT 5846 5845 +CONECT 5847 5850 +CONECT 5848 5838 5849 5852 +CONECT 5849 5848 +CONECT 5850 5831 5847 5851 +CONECT 5851 5850 +CONECT 5852 5848 +MASTER 319 0 4 12 48 0 0 6 7711 4 104 72 +END diff --git a/src/poli/objective_repository/rosetta_energy/README.md b/src/poli/objective_repository/rosetta_energy/README.md new file mode 100644 index 00000000..f3c19cb7 --- /dev/null +++ b/src/poli/objective_repository/rosetta_energy/README.md @@ -0,0 +1,11 @@ +This black-box function uses PyRosetta-4. + +Created at JHU by Sergey Lyskov and the PyRosetta Team. + +(C) Copyright remains with the Rosetta Commons Member Institutions. + + +By using the `rosetta_energy` black-box you agree that you have read and are in compliance with the PyRosetta +license agreement. + +See LICENSE.PyRosetta.md or email license@uw.edu. \ No newline at end of file diff --git a/src/poli/objective_repository/rosetta_energy/__init__.py b/src/poli/objective_repository/rosetta_energy/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/src/poli/objective_repository/rosetta_energy/environment.yml b/src/poli/objective_repository/rosetta_energy/environment.yml new file mode 100644 index 00000000..7bfc8720 --- /dev/null +++ b/src/poli/objective_repository/rosetta_energy/environment.yml @@ -0,0 +1,12 @@ +name: poli__rosetta_energy +channels: + - defaults + - conda-forge + - https://conda.rosettacommons.org +dependencies: + - python=3.10 + - pyrosetta + - pip: + - numpy + - "git+https://github.com/MachineLearningLifeScience/poli.git@dev" + - biopython==1.72 \ No newline at end of file diff --git a/src/poli/objective_repository/rosetta_energy/information.py b/src/poli/objective_repository/rosetta_energy/information.py new file mode 100644 index 00000000..673456f1 --- /dev/null +++ b/src/poli/objective_repository/rosetta_energy/information.py @@ -0,0 +1,15 @@ +import numpy as np + +from poli.core.black_box_information import BlackBoxInformation +from poli.core.util.proteins.defaults import AMINO_ACIDS + +rosetta_energy_information = BlackBoxInformation( + name="rosetta_energy", + max_sequence_length=np.inf, + alphabet=AMINO_ACIDS, + aligned=True, + fixed_length=True, + discrete=True, + deterministic=False, + padding_token="", +) diff --git a/src/poli/objective_repository/rosetta_energy/isolated_function.py b/src/poli/objective_repository/rosetta_energy/isolated_function.py new file mode 100644 index 00000000..b3169602 --- /dev/null +++ b/src/poli/objective_repository/rosetta_energy/isolated_function.py @@ -0,0 +1,241 @@ +from __future__ import annotations + +import logging +import os +from pathlib import Path + +import numpy as np +import pyrosetta +from pyrosetta.rosetta.core.pack.task import TaskFactory +from pyrosetta.rosetta.core.pose import deep_copy +from pyrosetta.rosetta.core.scoring import ( + ScoreFunctionFactory, + fa_rep, + get_score_function, +) +from pyrosetta.rosetta.protocols.loops import get_fa_scorefxn +from pyrosetta.rosetta.protocols.minimization_packing import MinMover, PackRotamersMover +from pyrosetta.rosetta.protocols.relax import FastRelax +from pyrosetta.toolbox import cleanATOM, mutate_residue + +from poli.core.abstract_isolated_function import AbstractIsolatedFunction +from poli.core.util.proteins.pdb_parsing import parse_pdb_as_residue_strings + +pyrosetta.init() + +ROSETTA_ENERGY_DIR = Path(__file__).parent.resolve() + + +class RosettaEnergyIsolatedLogic(AbstractIsolatedFunction): + """ + RosettaEnergy internal implementation. + + Parameters + ---------- + wildtype_pdb_path : Path + The path to the wildtype PDB file(s), by default None. + NOTE: currently only for single PDB files implemented -- List of Paths not yet supported! + score_function : str, optional + Which Rosetta score function to use. Options are [ref2015 , default , centroid , fa]. + The default function references ref2015. + seeds : int, optional + Overwrite Rosetta random seed with own integer, uses mt19937 RT reference (as per Rosetta default). + unit : str, optional + Output unit of black-box. Default is delta REU, which is difference between variant and wild-type. + Alternatives are: + REU -- raw energy function computed value, + DDG -- scaled delta REU + conversion_factor : float, optional + Scaling factor applied when computing DDGs (DDG=deltaREU/conversion_factor). Only applies to DDG conversion. + Default is '2.9' following: + Park, Hahnbeom, et al. + "Simultaneous optimization of biomolecular energy functions on features from small molecules and macromolecules." + Journal of chemical theory and computation 12.12 (2016): 6201-6212. + DOI: https://doi.org/10.1021/acs.jctc.6b00819 + clean : bool, optional + Flag whether to apply PDB cleaning routine prior to pose loading of reference. + Default is True. + relax: bool, optional + Flag whether to apply relaxation protocol. Default enabled. + NOTE: disable if fast compute required + pack: bool, optional + Flag whether to apply packing protocol. Default enabled. + NOTE: disable if fast compute required + cycle: int, optional + Number of relaxation cycles applied. + constraint_weight: int, optional + Constraint on scoring function for atom-pair, angles, coordinates. + + Methods + ------- + _apply_on_sequence(x, context=None) + The main black box method that performs the computation, i.e. + it computes the energy units of the mutant(s) in x. + _check_pose_steric_clashes(mutant_pose) + Checks for steric clashes of variant pose against WT pose, returns boolean. + _apply_relax_pack(mutant_pose) + Apply pack and relax routines on pose. + + Raises + ------ + AssertionError + If wildtype_pdb_path is not provided. + If the provided energy units are not valid. + NotImplementedError + If energy function does not exist. + + Notes + ----- + - The wildtype_pdb_path is a single Path object. + """ + + def __init__( + self, + wildtype_pdb_path: Path, + score_function: str = "default", + seed: int = 0, + unit: str = "DDG", + conversion_factor: float = 2.9, + clean: bool = True, + relax: bool = True, + pack: bool = True, + cycle: int = 3, + constraint_weight: float | int = 5, + n_threads: int = 4, + ): + # set number of threads prior to initializing Rosetta + os.environ["OMP_NUM_THREADS"] = str(n_threads) + pyrosetta.init(extra_options=f"-nthreads {n_threads}") + self.conversion_factor = conversion_factor # iff ddGs computed from REUs + self.relax = relax # do we use FastRelax? + self.cycle = cycle # iterations on relax protocol + self.constraint_weight = constraint_weight + valid_units = ["DDG", "REU", "DREU"] + if unit.upper() not in valid_units: + raise AssertionError(f"Output unit {unit} not a valid unit: {valid_units}") + self.unit = unit.upper() + if seed is not None: + pyrosetta.rosetta.basic.random.init_random_generators(seed, "mt19937") + self.score_function_identifier = score_function + self.energy_function = self.__get_score_fn(score_function) + self.energy_function.set_weight( + pyrosetta.rosetta.core.scoring.ScoreType.atom_pair_constraint, + self.constraint_weight, + ) + self.energy_function.set_weight( + pyrosetta.rosetta.core.scoring.ScoreType.coordinate_constraint, + self.constraint_weight, + ) + self.energy_function.set_weight( + pyrosetta.rosetta.core.scoring.ScoreType.angle_constraint, + self.constraint_weight, + ) + self.x0 = np.array([parse_pdb_as_residue_strings(wildtype_pdb_path)]) + if not isinstance(wildtype_pdb_path, Path): + raise TypeError(f"{wildtype_pdb_path} is not a Path") + if clean: + cleanATOM(wildtype_pdb_path) + self.pose = pyrosetta.pose_from_pdb( + str(wildtype_pdb_path.with_suffix(".clean.pdb")) + ) + else: + self.pose = pyrosetta.pose_from_pdb(str(wildtype_pdb_path)) + # set packing protocol + self.pack = None + if pack: + pack_task = TaskFactory.create_packer_task(self.pose) + pack_task.restrict_to_repacking() + self.packer = PackRotamersMover(self.energy_function, pack_task) + self.packer.apply(self.pose) + self.relax = None + # set MinMover; NOTE: suitable for small changes to structure + self.mover = MinMover() + # self.mover.min_type("lbfgs_armijo_nonmonotone") + self.mover.score_function(self.energy_function) + # set relax protocol; NOTE: relax & pack required when larger/destabilizing changes are introduced + if relax: + self.relax = FastRelax(self.energy_function, self.cycle) + cartesian_scoring = bool("cart" in self.score_function_identifier) + self.relax.cartesian(cartesian_scoring) + self.relax.minimize_bond_angles(cartesian_scoring) + self.relax.minimize_bond_lengths(cartesian_scoring) + self.relax.apply(self.pose) + self.wt_score = self.energy_function.score(self.pose) + self.wt_fa_rep = self.pose.energies().total_energies()[fa_rep] + self.x_t = None # track sequences as property + + def __get_score_fn(self, score_function_identifier: str): + if score_function_identifier == "default": + return get_score_function(True) + elif score_function_identifier == "ref2015": + return get_score_function(True) + elif score_function_identifier == "ref2015_cart": + return ScoreFunctionFactory.create_score_function(score_function_identifier) + elif score_function_identifier == "centroid": + return get_score_function(False) + elif score_function_identifier == "franklin2019": + # TODO: requires AddMembraneMover , not yet functional! + return ScoreFunctionFactory.create_score_function(score_function_identifier) + elif score_function_identifier == "fa": + return get_fa_scorefxn() + else: + raise NotImplementedError("Invalid scoring function!") + + def __call__(self, x: np.ndarray, context=None) -> np.ndarray: + self.x_t = [] + y = np.empty([x.shape[0], 1]) + for i in range(x.shape[0]): + y[i, 0] = self._apply_on_sequence(x[i, :]) + return y + + def _apply_on_sequence(self, seq_arr: str | np.ndarray) -> float: + if not isinstance(seq_arr, np.ndarray): + seq_arr = np.array(list(seq_arr)) + seq_arr = np.atleast_2d(seq_arr) + pose_mutant = deep_copy(self.pose) + diff_rosetta_idx = ( + np.where(self.x0 != seq_arr)[1] + 1 + ) # get diff indices (Rosetta indexes at 1) + diff_residues = seq_arr[self.x0 != seq_arr] # get residue mutant diff to WT + for idx, res in zip(diff_rosetta_idx, diff_residues): + mutate_residue(pose_mutant, idx, res) # inplace mutation on pose copy + self.x_t.append(pose_mutant.sequence()) + self.mover.apply(pose_mutant) + REU = self.energy_function.score(pose_mutant) + clashes = False + if self.relax is not None and self.pack is not None: + clashes = self._check_pose_steric_clashes(mutant_pose=pose_mutant) + if clashes: + logging.info( + "Steric clashes detected, attempt recovery by relax and pack-minimize..." + ) + self._apply_relax_pack(pose_mutant) + logging.info("Recompute energy function") + REU = self.energy_function.score(pose_mutant) + if self.unit == "REU": + return REU + elif self.unit == "DREU": + return REU - self.wt_score + elif self.unit == "DDG": + return (REU - self.wt_score) / self.conversion_factor + else: + RuntimeError("Output unit not specified correctly!") + + def _check_pose_steric_clashes(self, mutant_pose: object) -> bool: + mutant_fa_rep = mutant_pose.energies().total_energies()[fa_rep] + return bool(mutant_fa_rep > self.wt_fa_rep) + + def _apply_relax_pack(self, mutant_pose: object) -> None: + self.pack.apply(mutant_pose) + self.relax.apply(mutant_pose) + + +if __name__ == "__main__": + from poli.core.registry import register_isolated_function + + register_isolated_function( + RosettaEnergyIsolatedLogic, + name="rosetta_energy__isolated", + conda_environment_name="poli__rosetta_energy", + force=True, + ) diff --git a/src/poli/objective_repository/rosetta_energy/register.py b/src/poli/objective_repository/rosetta_energy/register.py new file mode 100644 index 00000000..25cd480b --- /dev/null +++ b/src/poli/objective_repository/rosetta_energy/register.py @@ -0,0 +1,329 @@ +""" +This module implements Rosetta-energy Stability Predictions, +using PyRosetta-4 [1]. + +Rosetta is a black box that starts +with one wildtype pdb file, and assesses the +stability of a variant. +Two general running-modes are available: +i) fast prediction with MinMover and scoring function -- set relax=False, pack=False +ii) default protocol prediction with pack and relax algorithm -- default . + +[1] Chaudhury, Sidhartha, Sergey Lyskov, and Jeffrey J. Gray. +"PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta." +Bioinformatics 26.5 (2010): 689-691. https://doi.org/10.1093/bioinformatics/btq007 + +""" + +from __future__ import annotations + +from pathlib import Path +from typing import Callable, List + +import numpy as np + +from poli.core.abstract_black_box import AbstractBlackBox +from poli.core.abstract_problem_factory import AbstractProblemFactory +from poli.core.black_box_information import BlackBoxInformation +from poli.core.problem import Problem +from poli.core.util.isolation.instancing import get_inner_function +from poli.core.util.proteins.defaults import AMINO_ACIDS +from poli.objective_repository.rosetta_energy.information import ( + rosetta_energy_information, +) + +CONSENT_FILE = Path(__file__).parent.resolve() / ".pyrosetta_accept.txt" + + +def has_opted_in(consent_file: Path = CONSENT_FILE) -> bool: + if consent_file.exists(): + with open(consent_file, "r") as file: + consent_status = file.read().strip() + return consent_status == "accepted" + return False + + +def opt_in_wrapper(f: Callable, *args, **kwargs): + if not has_opted_in(): + agreement = input( + "I have read and accept the License Agreements of PyRosetta, subject to the Rosetta™ license. ([Y]es/[N]o) \n See https://www.pyrosetta.org/home/licensing-pyrosetta and https://els2.comotion.uw.edu/product/rosetta ." + ) + if agreement.strip().lower() == "yes" or agreement.strip().lower() == "y": + with open(CONSENT_FILE, "w") as file: + file.write("accepted") + return f + else: + print( + "You must accept and be in compliance with the original PyRosetta, Rosetta™ license." + ) + raise RuntimeError + else: + return f + + +class RosettaEnergyBlackBox(AbstractBlackBox): + """ + RosettaEnergy Black Box implementation. + + Parameters + ---------- + wildtype_pdb_path : Path + The path to the wildtype PDB file(s), by default None. + NOTE: currently only for single PDB files implemented -- List of Paths not yet supported! + score_function : str, optional + Which Rosetta score function to use. Options are [ref2015 , default , centroid , fa, ref2015_cart, franklin2019]. + The default function references ref2015. + seed : int, optional + Overwrite Rosetta random seed with own integer, uses mt19937 RT reference (as per Rosetta default). + unit : str, optional + Output unit of black-box. Default is DDG, which is scaled difference between variant and wild-type. + Alternatives are: + REU -- raw energy function value, + DREU -- energy unit delta to wild-type. + conversion_factor : float, optional + Scaling factor applied when computing DDGs (DDG=deltaREU/conversion_factor). Only applies to DDG conversion. + Default is '2.9' following: + Park, Hahnbeom, et al. + "Simultaneous optimization of biomolecular energy functions on features from small molecules and macromolecules." + Journal of chemical theory and computation 12.12 (2016): 6201-6212. + DOI: https://doi.org/10.1021/acs.jctc.6b00819 + clean : bool, optional + Flag whether to apply PDB cleaning routine prior to pose loading of reference. + Default is True. + relax: bool, optional + Flag whether to apply relaxation protocol. Default enabled. + NOTE: disable if fast compute required + pack: bool, optional + Flag whether to apply packing protocol. Default enabled. + NOTE: disable if fast compute required + cycle: int, optional + Number of relaxation cycles applied. + constraint_weight: int, optional + Constraint on scoring function for atom-pair, angles, coordinates. + + Methods + ------- + _black_box(x, context=None) + The main black box method that performs the computation, i.e. + it computes the stability of the mutant(s) in x. + get_black_box_info() + Returns BlackBox info object. + + Raises + ------ + AssertionError + If wildtype_pdb_path is not provided. + If the provided energy units are not valid. + NotImplementedError + If energy function does not exist. + + Notes + ----- + - The wildtype_pdb_path is a single Path object. + """ + + def __init__( + self, + wildtype_pdb_path: Path | List[Path], + score_function: str = "default", + seed: int = 0, + unit: str = "DDG", + conversion_factor: float = 2.9, + clean: bool = True, + relax: bool = True, + pack: bool = True, + cycle: int = 3, + constraint_weight: float = 5.0, + n_threads: int = 4, + batch_size: int = None, + parallelize: bool = False, + num_workers: int = None, + evaluation_budget: int = float("inf"), + force_isolation: bool = False, + ): + super().__init__( + batch_size=batch_size, + parallelize=parallelize, + num_workers=num_workers, + evaluation_budget=evaluation_budget, + ) + assert wildtype_pdb_path is not None + self.force_isolation = force_isolation + self.wildtype_pdb_path = wildtype_pdb_path + self.score_function = score_function + self.seed = seed + self.unit = unit + self.conversion_factor = conversion_factor + self.clean = clean + self.relax = relax + self.pack = pack + self.cycle = cycle + self.constraint_weight = constraint_weight + self.n_threads = n_threads + + inner_function = get_inner_function( + isolated_function_name="rosetta_energy__isolated", + class_name="RosettaEnergyIsolatedLogic", + module_to_import="poli.objective_repository.rosetta_energy.isolated_function", + force_isolation=self.force_isolation, + wildtype_pdb_path=self.wildtype_pdb_path, + score_function=self.score_function, + seed=self.seed, + unit=self.unit, + conversion_factor=self.conversion_factor, + clean=self.clean, + relax=self.relax, + pack=self.pack, + cycle=self.cycle, + constraint_weight=self.constraint_weight, + n_threads=self.n_threads, + ) + self.inner_function = opt_in_wrapper(inner_function) + self.x0 = self.inner_function.x0 + + def _black_box(self, x: np.ndarray, context: dict = None) -> np.ndarray: + """ + Computes the stability of the mutant(s) in x. + + Parameters + ---------- + x : np.ndarray + Input array of shape [b, L] containing strings. + context : dict, optional + Additional context information (default is None). + + Returns + ------- + y : np.ndarray + The stability(DDGs/REUs/DREUs) of the mutant(s) in x. + """ + return self.inner_function(x, context) + + def get_black_box_info(self) -> BlackBoxInformation: + """ + Returns the black box information for Rosetta. + """ + is_fixed_length = True + max_sequence_length = len("".join(list(self.x0[0]))) + return BlackBoxInformation( + name="rosetta_energy", + max_sequence_length=max_sequence_length, + aligned=False, + fixed_length=is_fixed_length, + deterministic=False, + alphabet=AMINO_ACIDS, + log_transform_recommended=False, + discrete=True, + fidelity="high", + padding_token="", + ) + + +class RosettaEnergyProblemFactory(AbstractProblemFactory): + def get_setup_information(self) -> BlackBoxInformation: + return rosetta_energy_information + + def create( + self, + wildtype_pdb_path: Path | List[Path], + score_function: str = "default", + seed: int = 0, + unit: str = "DDG", + conversion_factor: float = 2.9, + clean: bool = True, + relax: bool = True, + pack: bool = True, + cycle: int = 3, + constraint_weight: int | float = 5, + n_threads: int = 4, + batch_size: int = None, + parallelize: bool = False, + num_workers: int = None, + evaluation_budget: int = float("inf"), + force_isolation: bool = False, + ) -> Problem: + """ + Creates a Rosetta black box instance, alongside initial + observations. + + Parameters + ---------- + wildtype_pdb_path : Path + The path to the wildtype PDB file(s), by default None. + NOTE: currently only for single PDB files implemented -- List of Paths not yet supported! + score_function : str, optional + Which Rosetta score function to use. Options are [ref2015 , default , centroid , fa, ref2015_cart, franklin2019]. + The default function references ref2015. + seed : int, optional + Overwrite Rosetta random seed with own integer, uses mt19937 RT reference (as per Rosetta default). + unit : str, optional + Output unit of black-box. Default is DDG, which is scaled difference between variant and wild-type. + Alternatives are: + REU -- raw energy function value, + DREU -- energy unit delta to wild-type. + conversion_factor : float, optional + Scaling factor applied when computing DDGs (DDG=deltaREU/conversion_factor). Only applies to DDG conversion. + Default is '2.9' following: + Park, Hahnbeom, et al. + "Simultaneous optimization of biomolecular energy functions on features from small molecules and macromolecules." + Journal of chemical theory and computation 12.12 (2016): 6201-6212. + DOI: https://doi.org/10.1021/acs.jctc.6b00819 + clean : bool, optional + Flag whether to apply PDB cleaning routine prior to pose loading of reference. + Default is True. + relax: bool, optional + Flag whether to apply relaxation protocol. Default enabled. + NOTE: disable if fast compute required + pack: bool, optional + Flag whether to apply packing protocol. Default enabled. + NOTE: disable if fast compute required + cycle: int, optional + Number of relaxation cycles applied. + constraint_weight: int, optional + Constraint on scoring function for atom-pair, angles, coordinates. + batch_size : int, optional + The batch size for parallel evaluation, by default None. + parallelize : bool, optional + Flag indicating whether to parallelize evaluation, by default False. + num_workers : int, optional + The number of workers for parallel evaluation, by default None. + evaluation_budget : int, optional + The evaluation budget, by default float("inf"). + + Returns + ------- + Problem : poli.core.problem.Problem + The poli Problem instance, containing f , x0 , y0 + where + f : RosettaEnergyBlackBox + The Rosetta black box instance. + x0 : np.ndarray + The initial observations (i.e. the wildtype as sequences + of amino acids). + y0 : np.ndarray + The initial observations (i.e. the stability of the wildtype). + """ + # Creating your black box function + f = RosettaEnergyBlackBox( + wildtype_pdb_path=wildtype_pdb_path, + score_function=score_function, + seed=seed, + unit=unit, + conversion_factor=conversion_factor, + clean=clean, + relax=relax, + pack=pack, + cycle=cycle, + constraint_weight=constraint_weight, + n_threads=n_threads, + batch_size=batch_size, + parallelize=parallelize, + num_workers=num_workers, + evaluation_budget=evaluation_budget, + force_isolation=force_isolation, + ) + + # Your first input (an np.array[str] of shape [b, L] or [b,]) + x0 = f.inner_function.x0 + + return Problem(f, x0) diff --git a/src/poli/tests/registry/proteins/test_rosetta.py b/src/poli/tests/registry/proteins/test_rosetta.py new file mode 100644 index 00000000..ffc1165c --- /dev/null +++ b/src/poli/tests/registry/proteins/test_rosetta.py @@ -0,0 +1,266 @@ +import io +import os +from pathlib import Path + +import numpy as np +import pytest + +from poli import objective_factory + +THIS_DIR = Path(__file__).parent.resolve() + + +@pytest.fixture(scope="session", autouse=True) +def cleanup_optin_file(): + file_path = ( + THIS_DIR.parent.parent.parent + / "objective_repository" + / "rosetta_energy" + / ".pyrosetta_accept.txt" + ) + cleaned_pdbs = THIS_DIR.glob("*.clean.pdb") # created by Rosetta during runtime + + # for individual tests, the opt-in file is required for use... + if not file_path.exists(): + with open(file_path, "w") as file: + file.write("accepted") + + yield # control to the tests + + if file_path.exists(): + os.remove(file_path) + for file in cleaned_pdbs: # cleanup created PDBs + os.remove(file) + + +@pytest.mark.poli__rosetta_energy +def test_rosetta_optin(monkeypatch): + monkeypatch.setattr("sys.stdin", io.StringIO("Y")) + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + relax=False, # fast compute + pack=False, + ) + assert problem is not None + + +@pytest.mark.poli__rosetta_energy +@pytest.mark.parametrize("unit", ["DDG", "REU", "DREU"]) +def test_rosetta_wt_zero_ddg(unit): + """ + Test that the WT score is equal to x0 evaluated on f + """ + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + relax=False, # fast compute + pack=False, + unit=unit, + ) + f, x0 = problem.black_box, problem.x0 + y0 = f(x0) + if unit == "REU": + assert f.inner_function.wt_score == y0 + else: + assert np.isclose(y0, 0.0) + + +@pytest.mark.poli__rosetta_energy +def test_rosetta_on_3ned_sequence_mutations_correct(): + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + relax=False, # fast compute + pack=False, + clean=False, # keep sequences as loaded for consistent testing against PDB + ) + f, x0 = problem.black_box, problem.x0 + + wildtype_sequence = "".join(x0[0]) + three_mutations = [ + "A" + wildtype_sequence[1:], + wildtype_sequence[:4] + "R" + wildtype_sequence[5:], + wildtype_sequence[:9] + "N" + wildtype_sequence[10:], + ] + + x = np.array([list(mutation) for mutation in three_mutations]) + f(x) # function call required to populate x_t property + + # Asserting that the mutations are according to expectations + # E1A + # M5R + # E10N + + for i, mutant in enumerate(three_mutations): + assert mutant[:20] == f.inner_function.x_t[i][:20] + + +@pytest.mark.poli__rosetta_energy +def test_rosetta_on_3ned_against_known_results(): + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + relax=False, # fast compute + pack=False, + ) + f, x0 = problem.black_box, problem.x0 + + wildtype_sequence = "".join(x0[0]) + three_mutations = [ + "A" + wildtype_sequence[1:], + "R" + wildtype_sequence[1:], + "N" + wildtype_sequence[1:], + ] + + x = np.array([list(mutation) for mutation in three_mutations]) + y = f(x) + + # Asserting that the results are the consistent: + # E1A: -3.85851953 + # E1R: -3.6878339 + # E1N: -3.80845599 + + assert np.isclose(y[0], -3.85851953, atol=1e-4) + assert np.isclose(y[1], -3.6878339, atol=1e-4) + assert np.isclose(y[2], -3.80845599, atol=1e-4) + + +@pytest.mark.poli__rosetta_energy +def test_rosetta_on_3ned_cartesian_against_known_results(): + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + score_function="ref2015_cart", + relax=False, # fast compute + pack=False, + ) + f, x0 = problem.black_box, problem.x0 + + wildtype_sequence = "".join(x0[0]) + three_mutations = [ + "A" + wildtype_sequence[1:], + "R" + wildtype_sequence[1:], + "N" + wildtype_sequence[1:], + ] + + x = np.array([list(mutation) for mutation in three_mutations]) + y = f(x) + + # Asserting that the results are the consistent: + # E1A: -4.06154293 + # E1R: -3.95461636 + # E1N: -4.08711725 + + assert np.isclose(y[0], -4.06154293, atol=1e-4) + assert np.isclose(y[1], -3.95461636, atol=1e-4) + assert np.isclose(y[2], -4.08711725, atol=1e-4) + + +@pytest.mark.poli__rosetta_energy +def test_rosetta_on_3ned_evaluating_twice_vs_once(): + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + relax=False, # fast compute + pack=False, + ) + f, x0 = problem.black_box, problem.x0 + + wildtype_sequence = "".join(x0[0]) + three_mutations = [ + "A" + wildtype_sequence[1:], + "R" + wildtype_sequence[1:], + "N" + wildtype_sequence[1:], + ] + + two_mutations = [ + "A" + wildtype_sequence[1:], + "R" + wildtype_sequence[1:], + ] + one_mutation = [ + "N" + wildtype_sequence[1:], + ] + + x_all = np.array([list(mutation) for mutation in three_mutations]) + y = f(x_all) + + y_two = f(np.array([list(mutation) for mutation in two_mutations])) + y_one = f(np.array([list(mutation) for mutation in one_mutation])) + + assert y[0] == y_two[0] + assert y[1] == y_two[1] + assert y[2] == y_one[0] + # Asserting that the results are the same as in the + # notebook: + # E1A: -3.85851953 + # E1R: -3.6878339 + # E1N: -3.80845599 + + assert np.isclose(y[0], -3.85851953, atol=1e-4) + assert np.isclose(y[1], -3.6878339, atol=1e-4) + assert np.isclose(y[2], -3.80845599, atol=1e-4) + + +@pytest.mark.poli__rosetta_energy +def test_rosetta_on_3ned_against_results_isolated(): + """ + We test forceful registration of the Rosetta problem. + """ + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + force_isolation=True, + relax=False, # fast compute + pack=False, + ) + f, x0 = problem.black_box, problem.x0 + + wildtype_sequence = "".join(x0[0]) + three_mutations = [ + "A" + wildtype_sequence[1:], + "R" + wildtype_sequence[1:], + "N" + wildtype_sequence[1:], + ] + + x = np.array([list(mutation) for mutation in three_mutations]) + y = f(x) + + # Asserting that the results are the same as in the + # notebook: + # E1A: -3.85851953 + # E1R: -3.6878339 + # E1N: -3.80845599 + + assert np.isclose(y[0], -3.85851953, atol=1e-4) + assert np.isclose(y[1], -3.6878339, atol=1e-4) + assert np.isclose(y[2], -3.80845599, atol=1e-4) + + +@pytest.mark.poli__rosetta_energy +@pytest.mark.slow +def test_rosetta_relax_pack(): + problem = objective_factory.create( + name="rosetta_energy", + wildtype_pdb_path=THIS_DIR / "3ned.pdb", + relax=True, # extended protocol compute + pack=True, + seed=0, + ) + f, x0 = problem.black_box, problem.x0 + + wildtype_sequence = "".join(x0[0]) + three_mutations = [ + "A" + wildtype_sequence[1:], + "R" + wildtype_sequence[1:], + ] + + x = np.array([list(mutation) for mutation in three_mutations]) + y = f(x) + + # Asserting that the results are the consistent: + # E1A: 1.87951932 + # E1R: 2.79688494 + + assert np.isclose(y[0], 1.87951932, atol=1e-4) + assert np.isclose(y[1], 2.79688494, atol=1e-4) diff --git a/tox.ini b/tox.ini index e9697361..1d93c47b 100644 --- a/tox.ini +++ b/tox.ini @@ -7,6 +7,7 @@ env_list = poli-protein-py310 poli-rasp-py310 poli-ehrlich-holo-py310 + poli-rosetta_energy-py310 minversion = 4.10.0 [testenv] @@ -122,4 +123,18 @@ deps= -r requirements.txt -e.[ehrlich] commands= - pytest {tty:--color=yes} -v -m 'not slow and poli__ehrlich_holo' {posargs} \ No newline at end of file + pytest {tty:--color=yes} -v -m 'not slow and poli__ehrlich_holo' {posargs} + +[testenv:poli-rosetta_energy-py310] +description = run the tests with pytest on the rosetta_energy environment for poli +basepython = python3.10 +wheel_build_env = .pkg +deps= + {[testenv]deps} + -r requirements.txt + -e. +commands= + sh -c 'if conda info --envs | grep -q poli__rosetta_energy; then echo "poli__rosetta_energy already exists"; else conda env create -f ./src/poli/objective_repository/rosetta_energy/environment.yml; fi' + sh -c "conda run -n poli__rosetta_energy python -m pip uninstall -y poli" + sh -c "conda run -n poli__rosetta_energy python -m pip install -e ." + pytest {tty:--color=yes} -v -m "not slow and poli__rosetta_energy" {posargs} \ No newline at end of file