USER MOD reduce.3.24.130724 H: found=0, std=0, add=1999, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 29-SEP-05 2C2M TITLE CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE MICHAEL TITLE 2 ACCEPTOR INHIBITORS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CASPASE-3 SUBUNIT P17; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ALPHA SUBUNIT, RESIDUES 29-175; COMPND 5 EC: 3.4.22.-; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: CASPASE-3 SUBUNIT P12; COMPND 9 CHAIN: B; COMPND 0 FRAGMENT: BETA SUBUNIT, RESIDUES 176-277; COMPND 1 EC: 3.4.22.-; COMPND 2 ENGINEERED: YES; COMPND 3 MOL_ID: 3; COMPND 4 MOLECULE: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4- COMPND 5 OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11- COMPND 6 (1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14 COMPND 7 -PENTAAZAHEXADECAN-16-OIC ACID; COMPND 8 CHAIN: C; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET11D; SOURCE 0 MOL_ID: 2; SOURCE 1 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 2 ORGANISM_COMMON: HUMAN; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 MOL_ID: 3; SOURCE 7 SYNTHETIC: YES KEYWDS HYDROLASE-HYDROLASE INHIBITOR COMPLEX, APOPTOSIS, CYSTEINE-PROTEASE, KEYWDS 2 ICE, THIOL PROTEASE, ZYMOGEN, CPP32, YAMA, AZA-PEPTIDE, MICHAEL KEYWDS 3 ACCEPTOR, AZA-ASP, CLAN CD EXPDTA X-RAY DIFFRACTION AUTHOR R.GANESAN,S.JELAKOVIC,O.D.EKICI,Z.Z.LI,K.E.JAMES,J.L.ASGIAN, AUTHOR 2 A.J.CAMPBELL,J.MIKOLAJCZYK,G.S.SALVESEN,J.C.POWERS,M.G.GRUETTER REVDAT 4 20-JUL-11 2C2M 1 COMPND SOURCE KEYWDS REVDAT REVDAT 4 2 REMARK REVDAT 3 13-JUL-11 2C2M 1 VERSN REVDAT 2 24-FEB-09 2C2M 1 VERSN REVDAT 1 20-SEP-06 2C2M 0 JRNL AUTH O.D.EKICI,Z.Z.LI,A.J.CAMPBELL,K.E.JAMES,J.L.ASGIAN, JRNL AUTH 2 J.MIKOLAJCZYK,G.S.SALVESEN,R.GANESAN,S.JELAKOVIC, JRNL AUTH 3 M.G.GRUTTER,J.C.POWERS JRNL TITL DESIGN, SYNTHESIS, AND EVALUATION OF AZA-PEPTIDE MICHAEL JRNL TITL 2 ACCEPTORS AS SELECTIVE AND POTENT INHIBITORS OF CASPASES-2, JRNL TITL 3 -3, -6, -7, -8, -9, AND - 10. JRNL REF J.MED.CHEM. V. 49 5728 2006 JRNL REFN ISSN 0022-2623 JRNL PMID 16970398 JRNL DOI 10.1021/JM0601405 REMARK 2 REMARK 2 RESOLUTION. 1.94 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 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) : 1.94 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.72 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1952614.770 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.1 REMARK 3 NUMBER OF REFLECTIONS : 19537 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) : 0.167 REMARK 3 FREE R VALUE : 0.208 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1925 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 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) : 1.93 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.05 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 86.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2670 REMARK 3 BIN R VALUE (WORKING SET) : 0.2120 REMARK 3 BIN FREE R VALUE : 0.2670 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.60 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 283 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.016 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2050 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 359 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.24000 REMARK 3 B22 (A**2) : 1.27000 REMARK 3 B33 (A**2) : -2.51000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.15 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) : 0.22 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.21 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.63 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) : 1.110 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.630 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.100 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.950 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.36 REMARK 3 BSOL : 67.20 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 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MISSING RESIDUE CHAIN A, ASP 175 REMARK 3 CLONING ARTIFACT ADDITIONAL AMINO ACID CHAIN B, ALA 175 REMARK 4 REMARK 4 2C2M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-SEP-05. REMARK 100 THE PDBE ID CODE IS EBI-25823. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-DEC-04 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 4.75 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 : NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19537 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.930 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 94.3 REMARK 200 DATA REDUNDANCY : 3.100 REMARK 200 R MERGE (I) : 0.08000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.93 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 REMARK 200 COMPLETENESS FOR SHELL (%) : 85.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.10 REMARK 200 R MERGE FOR SHELL (I) : 0.26000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.80 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG6000, 100 MM SODIUM CITRATE PH 4.75 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 33.54000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.95000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 48.22000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 33.54000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.95000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 48.22000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 33.54000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.95000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 48.22000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 33.54000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.95000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 48.22000 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: HEXAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, B 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 67.08000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 96.44000 REMARK 400 REMARK 400 COMPOUND REMARK 400 THE INITIAL LIGAND USED IN THE EXPERIMENT WAS CBZ-DEVAD-CH=CH- REMARK 400 CO2BZL, INDICATED AS 18I IN THE PRIMARY PUBLICATION. UPON REACTION, REMARK 400 THE DOUBLE BOND OPENED UP AND FORMED A COVALENT BOND BETWEEN ATOM REMARK 400 C2 OF RESIDUE MX4 5 OF CHAIN C AND ATOM SG OF CYS 163 OF CHAIN A. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 175 CA C O CB CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 2155 O HOH A 2155 3656 2.09 REMARK 500 OE2 GLU A 123 OE2 GLU A 123 2665 2.18 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 ARG A 64 79.46 -103.23 REMARK 500 ASP A 90 70.91 42.23 REMARK 500 SER A 120 -176.14 -173.86 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A2061 DISTANCE = 5.01 ANGSTROMS REMARK 525 HOH A2063 DISTANCE = 5.31 ANGSTROMS REMARK 525 HOH A2098 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH B2029 DISTANCE = 6.17 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN C OF AZA-PEPTIDE REMARK 800 INHIBITOR (5S,8R,11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2- REMARK 800 CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12- REMARK 800 TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CP3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE REMARK 900 TETRAPEPTIDE INHIBITOR ACE-DVAD- FMC REMARK 900 RELATED ID: 1GFW RELATED DB: PDB REMARK 900 THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN REMARK 900 ORCPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR. REMARK 900 RELATED ID: 1I3O RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP- BIR2 AND CASPASE 3 REMARK 900 RELATED ID: 1NME RELATED DB: PDB REMARK 900 STRUCTURE OF CASP-3 WITH TETHERED SALICYLATE REMARK 900 RELATED ID: 1NMQ RELATED DB: PDB REMARK 900 EXTENDEND TETHERING: IN SITU ASSEMBLY OF INHIBITORS REMARK 900 RELATED ID: 1NMS RELATED DB: PDB REMARK 900 CASPASE-3 TETHERED TO IRREVERSIBLE INHIBITOR REMARK 900 RELATED ID: 1PAU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE REMARK 900 TETRAPEPTIDE ALDEHYDE INHIBITOR AC -DEVD-CHO REMARK 900 RELATED ID: 1QX3 RELATED DB: PDB REMARK 900 CONFORMATIONAL RESTRICTIONS IN THE ACTIVE SITE OFUNLIGANDED REMARK 900 HUMAN CASPASE-3 REMARK 900 RELATED ID: 1RE1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CASPASE-3 WITH A NICOTINIC REMARK 900 ACIDALDEHYDE INHIBITOR REMARK 900 RELATED ID: 1RHJ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 APRYAZINONE INHIBITOR REMARK 900 RELATED ID: 1RHK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH A REMARK 900 PHENYL-PROPYL-KETONE INHIBITOR REMARK 900 RELATED ID: 1RHM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 ANICOTINIC ACID ALDEHYDE INHIBITOR REMARK 900 RELATED ID: 1RHQ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 ABROMOMETHOXYPHENYL INHIBITOR REMARK 900 RELATED ID: 1RHR RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 ACINNAMIC ACID METHYL ESTER INHIBITOR REMARK 900 RELATED ID: 1RHU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH A 5,6, REMARK 900 7TRICYCLIC PEPTIDOMIMETIC INHIBITOR REMARK 900 RELATED ID: 2C1E RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 MICHAEL ACCEPTOR INHIBITORS. REMARK 900 RELATED ID: 2C2K RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 MICHAEL ACCEPTOR INHIBITORS. REMARK 900 RELATED ID: 2C2O RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 MICHAEL ACCEPTOR INHIBITORS. REMARK 900 RELATED ID: 2CDR RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CJX RELATED DB: PDB REMARK 900 EXTENDED SUBSTRATE RECOGNITION IN CASPASE-3 REVEALED BY REMARK 900 HIGH RESOLUTION X-RAY STRUCTURE ANALYSIS REMARK 900 RELATED ID: 2CJY RELATED DB: PDB REMARK 900 EXTENDED SUBSTRATE RECOGNITION IN CASPASE-3 REVEALED BY REMARK 900 HIGH RESOLUTION X-RAY STRUCTURE ANALYSIS REMARK 900 RELATED ID: 2CNK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CNL RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CNN RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CNO RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2J30 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF (PRO) CASPASE-3 REMARK 900 RELATED ID: 2J31 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF(PRO)CASPASE -3 REMARK 900 RELATED ID: 2J32 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF(PRO)CASPASE -3 REMARK 900 RELATED ID: 2J33 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF (PRO) CASPASE-3 DBREF 2C2M A 29 175 UNP P42574 CASP3_HUMAN 29 175 DBREF 2C2M B 175 175 PDB 2C2M 2C2M 175 175 DBREF 2C2M B 176 277 UNP P42574 CASP3_HUMAN 176 277 DBREF 2C2M C 1 5 PDB 2C2M 2C2M 1 5 SEQRES 1 A 147 SER GLY ILE SER LEU ASP ASN SER TYR LYS MET ASP TYR SEQRES 2 A 147 PRO GLU MET GLY LEU CYS ILE ILE ILE ASN ASN LYS ASN SEQRES 3 A 147 PHE HIS LYS SER THR GLY MET THR SER ARG SER GLY THR SEQRES 4 A 147 ASP VAL ASP ALA ALA ASN LEU ARG GLU THR PHE ARG ASN SEQRES 5 A 147 LEU LYS TYR GLU VAL ARG ASN LYS ASN ASP LEU THR ARG SEQRES 6 A 147 GLU GLU ILE VAL GLU LEU MET ARG ASP VAL SER LYS GLU SEQRES 7 A 147 ASP HIS SER LYS ARG SER SER PHE VAL CYS VAL LEU LEU SEQRES 8 A 147 SER HIS GLY GLU GLU GLY ILE ILE PHE GLY THR ASN GLY SEQRES 9 A 147 PRO VAL ASP LEU LYS LYS ILE THR ASN PHE PHE ARG GLY SEQRES 10 A 147 ASP ARG CYS ARG SER LEU THR GLY LYS PRO LYS LEU PHE SEQRES 11 A 147 ILE ILE GLN ALA CYS ARG GLY THR GLU LEU ASP CYS GLY SEQRES 12 A 147 ILE GLU THR ASP SEQRES 1 B 103 ALA SER GLY VAL ASP ASP ASP MET ALA CYS HIS LYS ILE SEQRES 2 B 103 PRO VAL GLU ALA ASP PHE LEU TYR ALA TYR SER THR ALA SEQRES 3 B 103 PRO GLY TYR TYR SER TRP ARG ASN SER LYS ASP GLY SER SEQRES 4 B 103 TRP PHE ILE GLN SER LEU CYS ALA MET LEU LYS GLN TYR SEQRES 5 B 103 ALA ASP LYS LEU GLU PHE MET HIS ILE LEU THR ARG VAL SEQRES 6 B 103 ASN ARG LYS VAL ALA THR GLU PHE GLU SER PHE SER PHE SEQRES 7 B 103 ASP ALA THR PHE HIS ALA LYS LYS GLN ILE PRO CYS ILE SEQRES 8 B 103 VAL SER MET LEU THR LYS GLU LEU TYR PHE TYR HIS SEQRES 1 C 5 PHQ ASP GLU VAL MX4 HET PHQ C 1 10 HET MX4 C 5 20 HETNAM PHQ BENZYL CHLOROCARBONATE HETNAM MX4 {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID FORMUL 3 PHQ C8 H7 CL O2 FORMUL 3 MX4 C13 H16 N2 O5 FORMUL 4 HOH *359(H2 O) HELIX 1 1 HIS A 56 GLY A 60 5 5 HELIX 2 2 GLY A 66 ASN A 80 1 15 HELIX 3 3 THR A 92 LYS A 105 1 14 HELIX 4 4 LEU A 136 PHE A 142 1 7 HELIX 5 5 CYS A 148 THR A 152 5 5 HELIX 6 6 TRP B 214 ALA B 227 1 14 HELIX 7 7 GLU B 231 PHE B 247 1 17 HELIX 8 8 ASP B 253 HIS B 257 5 5 SHEET 1 AA 6 GLU A 84 ASN A 89 0 SHEET 2 AA 6 GLU A 43 ASN A 51 1 O GLY A 45 N GLU A 84 SHEET 3 AA 6 ARG A 111 LEU A 119 1 N SER A 112 O GLU A 43 SHEET 4 AA 6 LYS A 156 GLN A 161 1 O LEU A 157 N CYS A 116 SHEET 5 AA 6 PHE B 193 TYR B 197 1 O LEU B 194 N PHE A 158 SHEET 6 AA 6 CYS B 264 SER B 267 -1 O CYS B 264 N TYR B 197 SHEET 1 AB 3 GLY A 122 GLU A 123 0 SHEET 2 AB 3 ILE A 126 GLY A 129 -1 O ILE A 126 N GLU A 123 SHEET 3 AB 3 GLY A 132 ASP A 135 -1 O GLY A 132 N GLY A 129 SHEET 1 BA 2 ARG B 207 ASN B 208 0 SHEET 2 BA 2 GLY B 212 SER B 213 -1 O GLY B 212 N ASN B 208 LINK C1 PHQ C 1 N ASP C 2 1555 1555 1.33 LINK C VAL C 4 N16 MX4 C 5 1555 1555 1.32 LINK SG CYS A 163 C2 MX4 C 5 1555 1555 1.81 SITE *** AC1 23 MET A 61 ARG A 64 SER A 65 GLU A 84 SITE *** AC1 23 HIS A 121 GLY A 122 GLN A 161 ALA A 162 SITE *** AC1 23 CYS A 163 HOH A2224 ASP B 179 TYR B 204 SITE *** AC1 23 SER B 205 TRP B 206 ARG B 207 ASN B 208 SITE *** AC1 23 SER B 209 TRP B 214 SER B 249 PHE B 250 SITE *** AC1 23 PHE B 252 HOH B2113 HOH C2231 CRYST1 67.080 83.900 96.440 90.00 90.00 90.00 I 2 2 2 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 0.014908 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011919 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010369 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: C 5 MX4H2C1 : C 5 MX4 C2 : A 163 CYS SG :(H bumps) USER MOD NoAdj-H: C 5 MX4H162 : C 5 MX4 N16 : C 4 VAL C :(H bumps) USER MOD NoAdj-H: C 5 MX4H161 : C 5 MX4 N16 : C 4 VAL C :(H bumps) USER MOD NoAdj-H: C 5 MX4 H20 : C 5 MX4 O20 : C 5 MX4 C18 :(short bond) USER MOD Set 1.1: B 222 MET CE :methyl 139:sc= -0.14 (180deg=-0.955) USER MOD Set 1.2: B 225 GLN : amide:sc= 2.02 K(o=2.5,f=-1.8) USER MOD Set 1.3: B 226 TYR OH : rot 30:sc= 0.658 USER MOD Set 2.1: A 73 ASN : amide:sc= 1.02 K(o=2.6,f=-3.3!) USER MOD Set 2.2: B 224 LYS NZ :NH3+ -171:sc= 1.55 (180deg=1.55) USER MOD Set 3.1: A 161 GLN : amide:sc= 1.17 K(o=4.7,f=4.2) USER MOD Set 3.2: B 198 SER OG : rot 131:sc= 2.3 USER MOD Set 3.3: B 205 SER OG : rot 10:sc= 1.18 USER MOD Set 4.1: A 51 ASN : amide:sc= 1.62 K(o=5.7,f=-1.1!) USER MOD Set 4.2: A 67 THR OG1 : rot -103:sc= 2.85 USER MOD Set 4.3: A 87 ASN : amide:sc= 0.968 K(o=5.7,f=2.9) USER MOD Set 4.4: A 89 ASN : amide:sc= 0.219 K(o=5.7,f=-2.2!) USER MOD Set 5.1: A 77 THR OG1 : rot 78:sc= -0.33 USER MOD Set 5.2: B 220 CYS SG : rot 140:sc= -0.0201 USER MOD Set 6.1: A 56 HIS : no HE2:sc= 1.66 K(o=2.8,f=0.66) USER MOD Set 6.2: A 130 THR OG1 : rot -167:sc= 1.11 USER MOD Set 7.1: A 39 MET CE :methyl -158:sc= -0.382 (180deg=-0.725) USER MOD Set 7.2: A 44 MET CE :methyl -161:sc= 0 (180deg=-0.361) USER MOD Set 7.3: A 83 TYR OH : rot -156:sc= 0.916 USER MOD Set 7.4: A 113 SER OG : rot -18:sc= 0.951 USER MOD Set 8.1: A 37 TYR OH : rot 0:sc= 1.66 USER MOD Set 8.2: B 270 THR OG1 : rot -87:sc= 1.77 USER MOD Single : A 29 SER OG : rot -32:sc= 0.13 USER MOD Single : A 32 SER OG : rot 30:sc= 0.839 USER MOD Single : A 35 ASN : amide:sc= 1.29 X(o=1.3,f=1.1) USER MOD Single : A 36 SER OG : rot -36:sc= 0.77 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.07) USER MOD Single : A 41 TYR OH : rot 32:sc= 2.55 USER MOD Single : A 47 CYS SG : rot 154:sc= -2.09! USER MOD Single : A 52 ASN : amide:sc= 0.57 K(o=0.57,f=-5.6!) USER MOD Single : A 53 LYS NZ :NH3+ 141:sc= 1.34 (180deg=1.13) USER MOD Single : A 54 ASN : amide:sc= 1.23 K(o=1.2,f=0.27) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -73:sc= 0.26 USER MOD Single : A 61 MET CE :methyl 144:sc= -0.995 (180deg=-1.99) USER MOD Single : A 62 THR OG1 : rot -80:sc= 0 USER MOD Single : A 63 SER OG : rot -99:sc= 0.00758 USER MOD Single : A 65 SER OG : rot -80:sc= 0.803 USER MOD Single : A 80 ASN : amide:sc= 1.5 K(o=1.5,f=0.24) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.14) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -170:sc= 0.706 USER MOD Single : A 100 MET CE :methyl -111:sc= -0.676 (180deg=-3.95) USER MOD Single : A 104 SER OG : rot -37:sc= 1.4 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 1.66 K(o=1.7,f=-3.5!) USER MOD Single : A 109 SER OG : rot 86:sc= 2.12 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 69:sc= -0.934! USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 179:sc= 1.01 USER MOD Single : A 121 HIS : no HD1:sc= -0.169 K(o=0.13,f=-5.8!) USER MOD Single : A 131 ASN : amide:sc= 0.42 K(o=0.42,f=-11!) USER MOD Single : A 137 LYS NZ :NH3+ -159:sc= 2.01 (180deg=1.45) USER MOD Single : A 138 LYS NZ :NH3+ 146:sc= 1.96 (180deg=1.4) USER MOD Single : A 140 THR OG1 : rot 7:sc= 1 USER MOD Single : A 141 ASN : amide:sc= 2.04 K(o=2,f=-0.88!) USER MOD Single : A 148 CYS SG : rot 85:sc= -0.228 USER MOD Single : A 150 SER OG : rot -82:sc= 1.73 USER MOD Single : A 152 THR OG1 : rot -89:sc= -0.83 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 156 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.91) USER MOD Single : A 166 THR OG1 : rot 82:sc= 1.87 USER MOD Single : A 170 CYS SG : rot 60:sc= 1.13 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 176 SER OG : rot -80:sc= 1.31 USER MOD Single : B 182 MET CE :methyl -148:sc= -0.0294 (180deg=-0.339) USER MOD Single : B 184 CYS SG : rot 90:sc= 0.187 USER MOD Single : B 185 HIS : no HE2:sc= 1.99 K(o=2,f=-0.68) USER MOD Single : B 186 LYS NZ :NH3+ -170:sc= -0.99 (180deg=-0.996) USER MOD Single : B 195 TYR OH : rot 165:sc= 0 USER MOD Single : B 197 TYR OH : rot -36:sc= 2.19 USER MOD Single : B 199 THR OG1 : rot 170:sc= 1.5 USER MOD Single : B 203 TYR OH : rot 30:sc= 1.06 USER MOD Single : B 204 TYR OH : rot 25:sc= 2.2 USER MOD Single : B 208 ASN : amide:sc= 1.53 K(o=1.5,f=-6.6!) USER MOD Single : B 209 SER OG : rot -73:sc= 1.43 USER MOD Single : B 210 LYS NZ :NH3+ -175:sc= 1.35 (180deg=1.31) USER MOD Single : B 213 SER OG : rot -87:sc= -3.58! USER MOD Single : B 217 GLN : amide:sc= 1.16 K(o=1.2,f=0.53) USER MOD Single : B 218 SER OG : rot 84:sc= 0.518 USER MOD Single : B 229 LYS NZ :NH3+ 173:sc= 1.77 (180deg=1.7) USER MOD Single : B 233 MET CE :methyl -172:sc= -0.0106 (180deg=-0.202) USER MOD Single : B 234 HIS : no HD1:sc= 0.711 K(o=0.71,f=-0.1) USER MOD Single : B 237 THR OG1 : rot 67:sc= 0.925 USER MOD Single : B 240 ASN : amide:sc= -1.5! C(o=-1.5!,f=-6.1!) USER MOD Single : B 242 LYS NZ :NH3+ 165:sc= 0.81 (180deg=0.726) USER MOD Single : B 245 THR OG1 : rot -74:sc= 0.755 USER MOD Single : B 249 SER OG : rot 137:sc= 1.83 USER MOD Single : B 251 SER OG : rot 104:sc= 1.43 USER MOD Single : B 255 THR OG1 : rot 103:sc= 1.01 USER MOD Single : B 257 HIS : no HD1:sc= 1.61 K(o=1.6,f=-7.6!) USER MOD Single : B 259 LYS NZ :NH3+ -179:sc= 1.53 (180deg=1.53) USER MOD Single : B 260 LYS NZ :NH3+ 179:sc= 2.27 (180deg=2.26) USER MOD Single : B 261 GLN : amide:sc= 1.29 K(o=1.3,f=-5.9!) USER MOD Single : B 264 CYS SG : rot -55:sc=-0.00211 USER MOD Single : B 267 SER OG : rot 180:sc= 1.13 USER MOD Single : B 268 MET CE :methyl 168:sc= 0 (180deg=-0.147) USER MOD Single : B 271 LYS NZ :NH3+ 164:sc= 2.48 (180deg=2.12) USER MOD Single : B 274 TYR OH : rot 139:sc= 1.66 USER MOD Single : B 276 TYR OH : rot -113:sc= 0.0143 USER MOD Single : B 277 HIS : no HD1:sc= 1.18 K(o=1.2,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 29 12.362 -5.057 59.775 1.00 26.92 N ATOM 2 CA SER A 29 13.350 -5.692 58.856 1.00 27.06 C ATOM 3 C SER A 29 14.768 -5.599 59.416 1.00 26.05 C ATOM 4 O SER A 29 14.959 -5.285 60.591 1.00 25.69 O ATOM 5 CB SER A 29 13.283 -5.028 57.475 1.00 28.41 C ATOM 6 OG SER A 29 13.421 -3.621 57.575 1.00 32.27 O ATOM 0 HA SER A 29 13.123 -6.631 58.772 1.00 27.06 H new ATOM 0 HB2 SER A 29 13.984 -5.385 56.908 1.00 28.41 H new ATOM 0 HB3 SER A 29 12.438 -5.243 57.051 1.00 28.41 H new ATOM 0 HG SER A 29 13.089 -3.358 58.300 1.00 32.27 H new ATOM 7 N GLY A 30 15.759 -5.872 58.573 1.00 23.85 N ATOM 8 CA GLY A 30 17.141 -5.819 59.013 1.00 20.71 C ATOM 9 C GLY A 30 17.632 -4.414 59.304 1.00 20.38 C ATOM 10 O GLY A 30 16.871 -3.450 59.233 1.00 19.49 O ATOM 0 H GLY A 30 15.650 -6.088 57.748 1.00 23.85 H new ATOM 0 HA2 GLY A 30 17.239 -6.360 59.812 1.00 20.71 H new ATOM 0 HA3 GLY A 30 17.705 -6.216 58.331 1.00 20.71 H new ATOM 11 N ILE A 31 18.915 -4.300 59.632 1.00 20.03 N ATOM 12 CA ILE A 31 19.523 -3.013 59.936 1.00 20.53 C ATOM 13 C ILE A 31 19.464 -2.065 58.738 1.00 20.82 C ATOM 14 O ILE A 31 19.829 -2.432 57.622 1.00 17.13 O ATOM 15 CB ILE A 31 21.001 -3.189 60.370 1.00 22.13 C ATOM 16 CG1 ILE A 31 21.064 -3.864 61.745 1.00 22.85 C ATOM 17 CG2 ILE A 31 21.705 -1.839 60.411 1.00 21.59 C ATOM 18 CD1 ILE A 31 20.773 -5.338 61.723 1.00 26.83 C ATOM 0 H ILE A 31 19.456 -4.967 59.684 1.00 20.03 H new ATOM 0 HA ILE A 31 19.014 -2.626 60.666 1.00 20.53 H new ATOM 0 HB ILE A 31 21.454 -3.752 59.722 1.00 22.13 H new ATOM 0 HG12 ILE A 31 21.947 -3.725 62.122 1.00 22.85 H new ATOM 0 HG13 ILE A 31 20.431 -3.429 62.337 1.00 22.85 H new ATOM 0 HG21 ILE A 31 22.628 -1.963 60.684 1.00 21.59 H new ATOM 0 HG22 ILE A 31 21.680 -1.434 59.530 1.00 21.59 H new ATOM 0 HG23 ILE A 31 21.256 -1.259 61.046 1.00 21.59 H new ATOM 0 HD11 ILE A 31 20.831 -5.693 62.624 1.00 26.83 H new ATOM 0 HD12 ILE A 31 19.880 -5.487 61.375 1.00 26.83 H new ATOM 0 HD13 ILE A 31 21.420 -5.787 61.156 1.00 26.83 H new ATOM 19 N SER A 32 18.993 -0.846 58.988 1.00 20.95 N ATOM 20 CA SER A 32 18.874 0.184 57.957 1.00 23.10 C ATOM 21 C SER A 32 19.879 1.285 58.296 1.00 24.23 C ATOM 22 O SER A 32 19.853 1.829 59.401 1.00 23.46 O ATOM 23 CB SER A 32 17.450 0.747 57.954 1.00 24.15 C ATOM 24 OG SER A 32 17.299 1.767 56.985 1.00 25.95 O ATOM 0 H SER A 32 18.731 -0.591 59.766 1.00 20.95 H new ATOM 0 HA SER A 32 19.056 -0.181 57.077 1.00 23.10 H new ATOM 0 HB2 SER A 32 16.819 0.033 57.775 1.00 24.15 H new ATOM 0 HB3 SER A 32 17.238 1.099 58.833 1.00 24.15 H new ATOM 0 HG SER A 32 17.817 1.620 56.340 1.00 25.95 H new ATOM 25 N LEU A 33 20.757 1.618 57.351 1.00 24.59 N ATOM 26 CA LEU A 33 21.785 2.626 57.601 1.00 26.45 C ATOM 27 C LEU A 33 21.489 4.055 57.139 1.00 28.07 C ATOM 28 O LEU A 33 21.810 5.013 57.846 1.00 30.84 O ATOM 29 CB LEU A 33 23.116 2.160 57.010 1.00 24.91 C ATOM 30 CG LEU A 33 23.633 0.827 57.564 1.00 27.27 C ATOM 31 CD1 LEU A 33 25.038 0.577 57.042 1.00 24.40 C ATOM 32 CD2 LEU A 33 23.634 0.855 59.092 1.00 25.22 C ATOM 0 H LEU A 33 20.774 1.274 56.563 1.00 24.59 H new ATOM 0 HA LEU A 33 21.815 2.695 58.568 1.00 26.45 H new ATOM 0 HB2 LEU A 33 23.018 2.080 56.048 1.00 24.91 H new ATOM 0 HB3 LEU A 33 23.784 2.844 57.171 1.00 24.91 H new ATOM 0 HG LEU A 33 23.050 0.110 57.271 1.00 27.27 H new ATOM 0 HD11 LEU A 33 25.368 -0.266 57.391 1.00 24.40 H new ATOM 0 HD12 LEU A 33 25.022 0.541 56.073 1.00 24.40 H new ATOM 0 HD13 LEU A 33 25.623 1.296 57.329 1.00 24.40 H new ATOM 0 HD21 LEU A 33 23.963 0.008 59.431 1.00 25.22 H new ATOM 0 HD22 LEU A 33 24.209 1.572 59.402 1.00 25.22 H new ATOM 0 HD23 LEU A 33 22.731 1.003 59.414 1.00 25.22 H new ATOM 33 N ASP A 34 20.904 4.208 55.956 1.00 27.33 N ATOM 34 CA ASP A 34 20.567 5.538 55.450 1.00 27.33 C ATOM 35 C ASP A 34 21.785 6.438 55.208 1.00 23.69 C ATOM 36 O ASP A 34 21.804 7.593 55.632 1.00 23.33 O ATOM 37 CB ASP A 34 19.621 6.228 56.436 1.00 31.92 C ATOM 38 CG ASP A 34 18.543 7.026 55.744 1.00 36.68 C ATOM 39 OD1 ASP A 34 17.737 6.416 55.011 1.00 41.07 O ATOM 40 OD2 ASP A 34 18.498 8.260 55.931 1.00 41.03 O ATOM 0 H ASP A 34 20.694 3.560 55.432 1.00 27.33 H new ATOM 0 HA ASP A 34 20.145 5.405 54.587 1.00 27.33 H new ATOM 0 HB2 ASP A 34 19.209 5.559 57.005 1.00 31.92 H new ATOM 0 HB3 ASP A 34 20.133 6.815 57.013 1.00 31.92 H new ATOM 41 N ASN A 35 22.797 5.919 54.524 1.00 20.03 N ATOM 42 CA ASN A 35 23.995 6.710 54.250 1.00 16.97 C ATOM 43 C ASN A 35 23.999 7.345 52.859 1.00 15.53 C ATOM 44 O ASN A 35 24.886 8.140 52.535 1.00 12.25 O ATOM 45 CB ASN A 35 25.253 5.852 54.422 1.00 15.95 C ATOM 46 CG ASN A 35 25.493 5.454 55.865 1.00 17.79 C ATOM 47 OD1 ASN A 35 25.484 6.297 56.760 1.00 19.15 O ATOM 48 ND2 ASN A 35 25.715 4.164 56.097 1.00 16.99 N ATOM 0 H ASN A 35 22.813 5.118 54.211 1.00 20.03 H new ATOM 0 HA ASN A 35 23.991 7.435 54.895 1.00 16.97 H new ATOM 0 HB2 ASN A 35 25.172 5.053 53.879 1.00 15.95 H new ATOM 0 HB3 ASN A 35 26.023 6.342 54.093 1.00 15.95 H new ATOM 0 HD21 ASN A 35 25.860 3.890 56.899 1.00 16.99 H new ATOM 0 HD22 ASN A 35 25.714 3.603 55.445 1.00 16.99 H new ATOM 49 N SER A 36 23.019 6.995 52.033 1.00 14.21 N ATOM 50 CA SER A 36 22.946 7.558 50.689 1.00 13.30 C ATOM 51 C SER A 36 21.538 8.025 50.354 1.00 12.28 C ATOM 52 O SER A 36 20.551 7.462 50.831 1.00 13.58 O ATOM 53 CB SER A 36 23.417 6.530 49.656 1.00 15.65 C ATOM 54 OG SER A 36 22.604 5.375 49.679 1.00 21.15 O ATOM 0 H SER A 36 22.392 6.439 52.228 1.00 14.21 H new ATOM 0 HA SER A 36 23.532 8.331 50.662 1.00 13.30 H new ATOM 0 HB2 SER A 36 23.397 6.925 48.770 1.00 15.65 H new ATOM 0 HB3 SER A 36 24.338 6.284 49.837 1.00 15.65 H new ATOM 0 HG SER A 36 22.372 5.211 50.469 1.00 21.15 H new ATOM 55 N TYR A 37 21.451 9.069 49.540 1.00 11.74 N ATOM 56 CA TYR A 37 20.168 9.624 49.134 1.00 10.76 C ATOM 57 C TYR A 37 19.292 8.602 48.420 1.00 11.71 C ATOM 58 O TYR A 37 19.783 7.769 47.655 1.00 11.55 O ATOM 59 CB TYR A 37 20.382 10.811 48.195 1.00 11.34 C ATOM 60 CG TYR A 37 20.935 12.054 48.852 1.00 8.83 C ATOM 61 CD1 TYR A 37 20.165 12.793 49.749 1.00 7.72 C ATOM 62 CD2 TYR A 37 22.213 12.519 48.539 1.00 8.37 C ATOM 63 CE1 TYR A 37 20.651 13.974 50.314 1.00 7.08 C ATOM 64 CE2 TYR A 37 22.710 13.693 49.100 1.00 6.48 C ATOM 65 CZ TYR A 37 21.922 14.417 49.983 1.00 6.40 C ATOM 66 OH TYR A 37 22.404 15.592 50.518 1.00 6.71 O ATOM 0 H TYR A 37 22.133 9.475 49.208 1.00 11.74 H new ATOM 0 HA TYR A 37 19.717 9.902 49.946 1.00 10.76 H new ATOM 0 HB2 TYR A 37 20.986 10.540 47.486 1.00 11.34 H new ATOM 0 HB3 TYR A 37 19.535 11.032 47.777 1.00 11.34 H new ATOM 0 HD1 TYR A 37 19.314 12.495 49.975 1.00 7.72 H new ATOM 0 HD2 TYR A 37 22.742 12.037 47.945 1.00 8.37 H new ATOM 0 HE1 TYR A 37 20.126 14.460 50.908 1.00 7.08 H new ATOM 0 HE2 TYR A 37 23.565 13.990 48.884 1.00 6.48 H new ATOM 0 HH TYR A 37 21.823 15.930 51.022 1.00 6.71 H new ATOM 67 N LYS A 38 17.989 8.680 48.672 1.00 11.30 N ATOM 68 CA LYS A 38 17.029 7.796 48.024 1.00 11.79 C ATOM 69 C LYS A 38 16.945 8.260 46.573 1.00 10.78 C ATOM 70 O LYS A 38 16.425 9.340 46.294 1.00 12.39 O ATOM 71 CB LYS A 38 15.659 7.928 48.696 1.00 11.63 C ATOM 72 CG LYS A 38 14.519 7.192 47.995 1.00 15.34 C ATOM 73 CD LYS A 38 13.207 7.363 48.762 1.00 15.22 C ATOM 74 CE LYS A 38 12.020 6.796 47.998 1.00 16.25 C ATOM 75 NZ LYS A 38 12.166 5.337 47.719 1.00 16.61 N ATOM 0 H LYS A 38 17.639 9.243 49.220 1.00 11.30 H new ATOM 0 HA LYS A 38 17.300 6.867 48.087 1.00 11.79 H new ATOM 0 HB2 LYS A 38 15.727 7.598 49.606 1.00 11.63 H new ATOM 0 HB3 LYS A 38 15.431 8.869 48.752 1.00 11.63 H new ATOM 0 HG2 LYS A 38 14.417 7.531 47.092 1.00 15.34 H new ATOM 0 HG3 LYS A 38 14.735 6.249 47.921 1.00 15.34 H new ATOM 0 HD2 LYS A 38 13.277 6.921 49.623 1.00 15.22 H new ATOM 0 HD3 LYS A 38 13.057 8.305 48.938 1.00 15.22 H new ATOM 0 HE2 LYS A 38 11.209 6.945 48.509 1.00 16.25 H new ATOM 0 HE3 LYS A 38 11.920 7.274 47.160 1.00 16.25 H new ATOM 0 HZ1 LYS A 38 11.398 5.016 47.404 1.00 16.61 H new ATOM 0 HZ2 LYS A 38 12.808 5.213 47.116 1.00 16.61 H new ATOM 0 HZ3 LYS A 38 12.379 4.911 48.471 1.00 16.61 H new ATOM 76 N MET A 39 17.459 7.455 45.651 1.00 10.07 N ATOM 77 CA MET A 39 17.431 7.834 44.244 1.00 10.27 C ATOM 78 C MET A 39 16.536 6.926 43.410 1.00 11.05 C ATOM 79 O MET A 39 16.663 6.866 42.186 1.00 10.85 O ATOM 80 CB MET A 39 18.852 7.838 43.679 1.00 9.95 C ATOM 81 CG MET A 39 19.775 8.860 44.328 1.00 8.85 C ATOM 82 SD MET A 39 19.271 10.577 44.047 1.00 11.97 S ATOM 83 CE MET A 39 19.782 10.804 42.345 1.00 10.89 C ATOM 0 H MET A 39 17.824 6.694 45.816 1.00 10.07 H new ATOM 0 HA MET A 39 17.054 8.726 44.193 1.00 10.27 H new ATOM 0 HB2 MET A 39 19.236 6.954 43.789 1.00 9.95 H new ATOM 0 HB3 MET A 39 18.810 8.013 42.726 1.00 9.95 H new ATOM 0 HG2 MET A 39 19.809 8.693 45.283 1.00 8.85 H new ATOM 0 HG3 MET A 39 20.674 8.735 43.986 1.00 8.85 H new ATOM 0 HE1 MET A 39 19.895 11.750 42.164 1.00 10.89 H new ATOM 0 HE2 MET A 39 20.623 10.344 42.195 1.00 10.89 H new ATOM 0 HE3 MET A 39 19.105 10.441 41.753 1.00 10.89 H new ATOM 84 N ASP A 40 15.619 6.227 44.073 1.00 13.64 N ATOM 85 CA ASP A 40 14.715 5.337 43.364 1.00 14.24 C ATOM 86 C ASP A 40 13.285 5.860 43.274 1.00 14.31 C ATOM 87 O ASP A 40 12.338 5.079 43.211 1.00 13.94 O ATOM 88 CB ASP A 40 14.728 3.936 43.992 1.00 16.53 C ATOM 89 CG ASP A 40 14.249 3.928 45.425 1.00 17.62 C ATOM 90 OD1 ASP A 40 14.084 2.822 45.981 1.00 22.38 O ATOM 91 OD2 ASP A 40 14.041 5.016 46.001 1.00 17.00 O ATOM 0 H ASP A 40 15.507 6.255 44.925 1.00 13.64 H new ATOM 0 HA ASP A 40 15.048 5.291 42.454 1.00 14.24 H new ATOM 0 HB2 ASP A 40 14.167 3.346 43.465 1.00 16.53 H new ATOM 0 HB3 ASP A 40 15.629 3.579 43.955 1.00 16.53 H new ATOM 92 N TYR A 41 13.122 7.181 43.285 1.00 13.77 N ATOM 93 CA TYR A 41 11.792 7.764 43.134 1.00 12.04 C ATOM 94 C TYR A 41 11.417 7.492 41.674 1.00 10.28 C ATOM 95 O TYR A 41 12.275 7.136 40.871 1.00 10.83 O ATOM 96 CB TYR A 41 11.812 9.280 43.359 1.00 12.83 C ATOM 97 CG TYR A 41 11.825 9.719 44.806 1.00 14.55 C ATOM 98 CD1 TYR A 41 13.015 9.778 45.532 1.00 12.81 C ATOM 99 CD2 TYR A 41 10.641 10.082 45.449 1.00 12.94 C ATOM 100 CE1 TYR A 41 13.026 10.190 46.862 1.00 13.28 C ATOM 101 CE2 TYR A 41 10.639 10.492 46.776 1.00 14.18 C ATOM 102 CZ TYR A 41 11.832 10.543 47.477 1.00 14.74 C ATOM 103 OH TYR A 41 11.826 10.941 48.793 1.00 14.45 O ATOM 0 H TYR A 41 13.760 7.750 43.377 1.00 13.77 H new ATOM 0 HA TYR A 41 11.171 7.387 43.777 1.00 12.04 H new ATOM 0 HB2 TYR A 41 12.594 9.647 42.918 1.00 12.83 H new ATOM 0 HB3 TYR A 41 11.035 9.667 42.926 1.00 12.83 H new ATOM 0 HD1 TYR A 41 13.814 9.538 45.121 1.00 12.81 H new ATOM 0 HD2 TYR A 41 9.838 10.049 44.980 1.00 12.94 H new ATOM 0 HE1 TYR A 41 13.826 10.228 47.334 1.00 13.28 H new ATOM 0 HE2 TYR A 41 9.842 10.731 47.191 1.00 14.18 H new ATOM 0 HH TYR A 41 12.548 11.331 48.971 1.00 14.45 H new ATOM 104 N PRO A 42 10.135 7.654 41.314 1.00 10.24 N ATOM 105 CA PRO A 42 9.691 7.416 39.934 1.00 10.78 C ATOM 106 C PRO A 42 10.532 8.162 38.895 1.00 10.91 C ATOM 107 O PRO A 42 10.797 7.641 37.813 1.00 10.86 O ATOM 108 CB PRO A 42 8.245 7.896 39.954 1.00 11.35 C ATOM 109 CG PRO A 42 7.806 7.523 41.336 1.00 14.25 C ATOM 110 CD PRO A 42 8.987 7.956 42.189 1.00 11.23 C ATOM 0 HA PRO A 42 9.785 6.487 39.670 1.00 10.78 H new ATOM 0 HB2 PRO A 42 8.178 8.851 39.798 1.00 11.35 H new ATOM 0 HB3 PRO A 42 7.709 7.459 39.274 1.00 11.35 H new ATOM 0 HG2 PRO A 42 6.990 7.981 41.591 1.00 14.25 H new ATOM 0 HG3 PRO A 42 7.634 6.572 41.415 1.00 14.25 H new ATOM 0 HD2 PRO A 42 8.943 8.898 42.416 1.00 11.23 H new ATOM 0 HD3 PRO A 42 9.030 7.465 43.024 1.00 11.23 H new ATOM 111 N GLU A 43 10.946 9.381 39.232 1.00 9.50 N ATOM 112 CA GLU A 43 11.756 10.201 38.329 1.00 9.86 C ATOM 113 C GLU A 43 13.068 10.618 38.987 1.00 9.87 C ATOM 114 O GLU A 43 13.107 10.909 40.186 1.00 9.84 O ATOM 115 CB GLU A 43 10.997 11.471 37.935 1.00 11.08 C ATOM 116 CG GLU A 43 9.692 11.259 37.187 1.00 14.13 C ATOM 117 CD GLU A 43 8.814 12.502 37.217 1.00 18.47 C ATOM 118 OE1 GLU A 43 9.328 13.609 36.948 1.00 17.32 O ATOM 119 OE2 GLU A 43 7.606 12.373 37.510 1.00 21.19 O ATOM 0 H GLU A 43 10.768 9.756 39.985 1.00 9.50 H new ATOM 0 HA GLU A 43 11.944 9.662 37.544 1.00 9.86 H new ATOM 0 HB2 GLU A 43 10.809 11.978 38.740 1.00 11.08 H new ATOM 0 HB3 GLU A 43 11.580 12.018 37.385 1.00 11.08 H new ATOM 0 HG2 GLU A 43 9.882 11.020 36.266 1.00 14.13 H new ATOM 0 HG3 GLU A 43 9.211 10.514 37.580 1.00 14.13 H new ATOM 120 N MET A 44 14.139 10.648 38.202 1.00 9.15 N ATOM 121 CA MET A 44 15.437 11.076 38.711 1.00 9.10 C ATOM 122 C MET A 44 15.344 12.571 39.004 1.00 9.88 C ATOM 123 O MET A 44 15.945 13.069 39.958 1.00 9.92 O ATOM 124 CB MET A 44 16.532 10.822 37.672 1.00 8.68 C ATOM 125 CG MET A 44 17.033 9.383 37.633 1.00 8.71 C ATOM 126 SD MET A 44 17.833 8.906 39.187 1.00 10.14 S ATOM 127 CE MET A 44 19.460 9.664 38.969 1.00 10.89 C ATOM 0 H MET A 44 14.136 10.425 37.372 1.00 9.15 H new ATOM 0 HA MET A 44 15.663 10.578 39.512 1.00 9.10 H new ATOM 0 HB2 MET A 44 16.193 11.060 36.795 1.00 8.68 H new ATOM 0 HB3 MET A 44 17.281 11.410 37.856 1.00 8.68 H new ATOM 0 HG2 MET A 44 16.289 8.786 37.456 1.00 8.71 H new ATOM 0 HG3 MET A 44 17.661 9.279 36.901 1.00 8.71 H new ATOM 0 HE1 MET A 44 20.094 9.251 39.576 1.00 10.89 H new ATOM 0 HE2 MET A 44 19.757 9.535 38.055 1.00 10.89 H new ATOM 0 HE3 MET A 44 19.403 10.613 39.159 1.00 10.89 H new ATOM 128 N GLY A 45 14.578 13.279 38.177 1.00 8.90 N ATOM 129 CA GLY A 45 14.411 14.710 38.367 1.00 8.32 C ATOM 130 C GLY A 45 14.735 15.533 37.132 1.00 9.08 C ATOM 131 O GLY A 45 15.046 14.995 36.072 1.00 8.16 O ATOM 0 H GLY A 45 14.151 12.950 37.507 1.00 8.90 H new ATOM 0 HA2 GLY A 45 13.495 14.888 38.633 1.00 8.32 H new ATOM 0 HA3 GLY A 45 14.980 15.000 39.097 1.00 8.32 H new ATOM 132 N LEU A 46 14.674 16.851 37.277 1.00 8.29 N ATOM 133 CA LEU A 46 14.958 17.749 36.174 1.00 9.91 C ATOM 134 C LEU A 46 16.440 18.088 36.063 1.00 9.96 C ATOM 135 O LEU A 46 17.174 18.069 37.054 1.00 11.77 O ATOM 136 CB LEU A 46 14.184 19.058 36.350 1.00 9.64 C ATOM 137 CG LEU A 46 12.687 18.986 36.647 1.00 8.65 C ATOM 138 CD1 LEU A 46 12.136 20.404 36.751 1.00 8.17 C ATOM 139 CD2 LEU A 46 11.975 18.200 35.545 1.00 7.08 C ATOM 0 H LEU A 46 14.468 17.245 38.013 1.00 8.29 H new ATOM 0 HA LEU A 46 14.685 17.287 35.366 1.00 9.91 H new ATOM 0 HB2 LEU A 46 14.604 19.554 37.070 1.00 9.64 H new ATOM 0 HB3 LEU A 46 14.299 19.580 35.541 1.00 9.64 H new ATOM 0 HG LEU A 46 12.535 18.526 37.488 1.00 8.65 H new ATOM 0 HD11 LEU A 46 11.185 20.369 36.940 1.00 8.17 H new ATOM 0 HD12 LEU A 46 12.590 20.876 37.467 1.00 8.17 H new ATOM 0 HD13 LEU A 46 12.282 20.870 35.913 1.00 8.17 H new ATOM 0 HD21 LEU A 46 11.026 18.158 35.739 1.00 7.08 H new ATOM 0 HD22 LEU A 46 12.111 18.642 34.692 1.00 7.08 H new ATOM 0 HD23 LEU A 46 12.336 17.301 35.504 1.00 7.08 H new ATOM 140 N CYS A 47 16.870 18.376 34.840 1.00 8.69 N ATOM 141 CA CYS A 47 18.235 18.806 34.574 1.00 7.79 C ATOM 142 C CYS A 47 18.046 20.014 33.678 1.00 8.10 C ATOM 143 O CYS A 47 17.873 19.883 32.462 1.00 7.08 O ATOM 144 CB CYS A 47 19.060 17.750 33.833 1.00 8.90 C ATOM 145 SG CYS A 47 20.718 18.378 33.361 1.00 7.53 S ATOM 0 H CYS A 47 16.375 18.327 34.138 1.00 8.69 H new ATOM 0 HA CYS A 47 18.718 18.980 35.397 1.00 7.79 H new ATOM 0 HB2 CYS A 47 19.160 16.966 34.395 1.00 8.90 H new ATOM 0 HB3 CYS A 47 18.583 17.469 33.037 1.00 8.90 H new ATOM 0 HG CYS A 47 21.485 17.459 33.276 1.00 7.53 H new ATOM 146 N ILE A 48 18.053 21.192 34.286 1.00 6.77 N ATOM 147 CA ILE A 48 17.867 22.426 33.537 1.00 8.29 C ATOM 148 C ILE A 48 19.205 22.969 33.060 1.00 8.57 C ATOM 149 O ILE A 48 20.084 23.277 33.864 1.00 8.77 O ATOM 150 CB ILE A 48 17.167 23.480 34.408 1.00 9.61 C ATOM 151 CG1 ILE A 48 15.833 22.915 34.898 1.00 10.36 C ATOM 152 CG2 ILE A 48 16.929 24.767 33.611 1.00 9.98 C ATOM 153 CD1 ILE A 48 15.211 23.738 35.976 1.00 21.00 C ATOM 0 H ILE A 48 18.164 21.299 35.132 1.00 6.77 H new ATOM 0 HA ILE A 48 17.313 22.230 32.766 1.00 8.29 H new ATOM 0 HB ILE A 48 17.733 23.693 35.166 1.00 9.61 H new ATOM 0 HG12 ILE A 48 15.219 22.854 34.150 1.00 10.36 H new ATOM 0 HG13 ILE A 48 15.971 22.013 35.226 1.00 10.36 H new ATOM 0 HG21 ILE A 48 16.487 25.420 34.175 1.00 9.98 H new ATOM 0 HG22 ILE A 48 17.779 25.123 33.310 1.00 9.98 H new ATOM 0 HG23 ILE A 48 16.370 24.573 32.843 1.00 9.98 H new ATOM 0 HD11 ILE A 48 14.371 23.335 36.247 1.00 21.00 H new ATOM 0 HD12 ILE A 48 15.810 23.780 36.738 1.00 21.00 H new ATOM 0 HD13 ILE A 48 15.047 24.635 35.645 1.00 21.00 H new ATOM 154 N ILE A 49 19.359 23.076 31.746 1.00 6.86 N ATOM 155 CA ILE A 49 20.594 23.591 31.177 1.00 7.53 C ATOM 156 C ILE A 49 20.397 25.001 30.631 1.00 7.59 C ATOM 157 O ILE A 49 19.577 25.211 29.735 1.00 8.42 O ATOM 158 CB ILE A 49 21.099 22.713 30.018 1.00 9.38 C ATOM 159 CG1 ILE A 49 21.232 21.257 30.473 1.00 12.00 C ATOM 160 CG2 ILE A 49 22.421 23.270 29.492 1.00 7.53 C ATOM 161 CD1 ILE A 49 21.885 21.076 31.821 1.00 19.65 C ATOM 0 H ILE A 49 18.761 22.856 31.168 1.00 6.86 H new ATOM 0 HA ILE A 49 21.244 23.591 31.897 1.00 7.53 H new ATOM 0 HB ILE A 49 20.457 22.729 29.291 1.00 9.38 H new ATOM 0 HG12 ILE A 49 20.349 20.857 30.499 1.00 12.00 H new ATOM 0 HG13 ILE A 49 21.745 20.769 29.810 1.00 12.00 H new ATOM 0 HG21 ILE A 49 22.738 22.716 28.762 1.00 7.53 H new ATOM 0 HG22 ILE A 49 22.287 24.177 29.175 1.00 7.53 H new ATOM 0 HG23 ILE A 49 23.078 23.271 30.205 1.00 7.53 H new ATOM 0 HD11 ILE A 49 21.931 20.131 32.034 1.00 19.65 H new ATOM 0 HD12 ILE A 49 22.781 21.446 31.799 1.00 19.65 H new ATOM 0 HD13 ILE A 49 21.363 21.535 32.498 1.00 19.65 H new ATOM 162 N ILE A 50 21.137 25.965 31.171 1.00 6.39 N ATOM 163 CA ILE A 50 21.041 27.339 30.685 1.00 7.99 C ATOM 164 C ILE A 50 22.309 27.598 29.873 1.00 7.49 C ATOM 165 O ILE A 50 23.407 27.747 30.420 1.00 7.19 O ATOM 166 CB ILE A 50 20.917 28.355 31.844 1.00 8.50 C ATOM 167 CG1 ILE A 50 19.620 28.087 32.614 1.00 8.88 C ATOM 168 CG2 ILE A 50 20.913 29.777 31.292 1.00 9.01 C ATOM 169 CD1 ILE A 50 19.341 29.066 33.747 1.00 10.20 C ATOM 0 H ILE A 50 21.696 25.847 31.814 1.00 6.39 H new ATOM 0 HA ILE A 50 20.243 27.451 30.146 1.00 7.99 H new ATOM 0 HB ILE A 50 21.674 28.256 32.443 1.00 8.50 H new ATOM 0 HG12 ILE A 50 18.877 28.111 31.991 1.00 8.88 H new ATOM 0 HG13 ILE A 50 19.654 27.189 32.979 1.00 8.88 H new ATOM 0 HG21 ILE A 50 20.835 30.408 32.024 1.00 9.01 H new ATOM 0 HG22 ILE A 50 21.740 29.940 30.812 1.00 9.01 H new ATOM 0 HG23 ILE A 50 20.162 29.888 30.689 1.00 9.01 H new ATOM 0 HD11 ILE A 50 18.507 28.829 34.182 1.00 10.20 H new ATOM 0 HD12 ILE A 50 20.064 29.028 34.393 1.00 10.20 H new ATOM 0 HD13 ILE A 50 19.274 29.965 33.389 1.00 10.20 H new ATOM 170 N ASN A 51 22.137 27.628 28.557 1.00 7.56 N ATOM 171 CA ASN A 51 23.235 27.817 27.618 1.00 9.69 C ATOM 172 C ASN A 51 23.262 29.223 27.027 1.00 9.25 C ATOM 173 O ASN A 51 22.518 29.524 26.093 1.00 8.22 O ATOM 174 CB ASN A 51 23.108 26.777 26.496 1.00 9.60 C ATOM 175 CG ASN A 51 24.245 26.847 25.493 1.00 11.26 C ATOM 176 OD1 ASN A 51 25.417 26.881 25.867 1.00 11.55 O ATOM 177 ND2 ASN A 51 23.903 26.855 24.210 1.00 10.69 N ATOM 0 H ASN A 51 21.370 27.538 28.179 1.00 7.56 H new ATOM 0 HA ASN A 51 24.068 27.700 28.100 1.00 9.69 H new ATOM 0 HB2 ASN A 51 23.081 25.889 26.886 1.00 9.60 H new ATOM 0 HB3 ASN A 51 22.266 26.909 26.033 1.00 9.60 H new ATOM 0 HD21 ASN A 51 24.511 26.885 23.603 1.00 10.69 H new ATOM 0 HD22 ASN A 51 23.073 26.830 23.986 1.00 10.69 H new ATOM 178 N ASN A 52 24.123 30.079 27.566 1.00 9.39 N ATOM 179 CA ASN A 52 24.235 31.442 27.059 1.00 11.53 C ATOM 180 C ASN A 52 25.458 31.590 26.154 1.00 12.30 C ATOM 181 O ASN A 52 26.601 31.576 26.618 1.00 10.97 O ATOM 182 CB ASN A 52 24.293 32.438 28.219 1.00 10.22 C ATOM 183 CG ASN A 52 22.913 32.756 28.781 1.00 11.36 C ATOM 184 OD1 ASN A 52 21.902 32.243 28.298 1.00 9.61 O ATOM 185 ND2 ASN A 52 22.867 33.608 29.796 1.00 10.41 N ATOM 0 H ASN A 52 24.648 29.893 28.221 1.00 9.39 H new ATOM 0 HA ASN A 52 23.447 31.635 26.527 1.00 11.53 H new ATOM 0 HB2 ASN A 52 24.851 32.076 28.925 1.00 10.22 H new ATOM 0 HB3 ASN A 52 24.713 33.258 27.917 1.00 10.22 H new ATOM 0 HD21 ASN A 52 22.110 33.822 30.143 1.00 10.41 H new ATOM 0 HD22 ASN A 52 23.594 33.946 30.107 1.00 10.41 H new ATOM 186 N LYS A 53 25.200 31.736 24.857 1.00 12.85 N ATOM 187 CA LYS A 53 26.260 31.862 23.860 1.00 13.20 C ATOM 188 C LYS A 53 26.394 33.276 23.303 1.00 14.12 C ATOM 189 O LYS A 53 27.505 33.784 23.145 1.00 14.50 O ATOM 190 CB LYS A 53 26.000 30.888 22.703 1.00 11.61 C ATOM 191 CG LYS A 53 27.094 30.875 21.640 1.00 13.62 C ATOM 192 CD LYS A 53 26.818 29.855 20.542 1.00 14.19 C ATOM 193 CE LYS A 53 25.561 30.206 19.757 1.00 17.35 C ATOM 194 NZ LYS A 53 25.290 29.224 18.667 1.00 19.21 N ATOM 0 H LYS A 53 24.405 31.765 24.530 1.00 12.85 H new ATOM 0 HA LYS A 53 27.093 31.650 24.310 1.00 13.20 H new ATOM 0 HB2 LYS A 53 25.902 29.993 23.063 1.00 11.61 H new ATOM 0 HB3 LYS A 53 25.157 31.119 22.282 1.00 11.61 H new ATOM 0 HG2 LYS A 53 27.171 31.758 21.247 1.00 13.62 H new ATOM 0 HG3 LYS A 53 27.946 30.675 22.058 1.00 13.62 H new ATOM 0 HD2 LYS A 53 27.577 29.814 19.939 1.00 14.19 H new ATOM 0 HD3 LYS A 53 26.720 28.974 20.935 1.00 14.19 H new ATOM 0 HE2 LYS A 53 24.802 30.236 20.360 1.00 17.35 H new ATOM 0 HE3 LYS A 53 25.656 31.093 19.376 1.00 17.35 H new ATOM 0 HZ1 LYS A 53 24.414 29.074 18.613 1.00 19.21 H new ATOM 0 HZ2 LYS A 53 25.583 29.551 17.893 1.00 19.21 H new ATOM 0 HZ3 LYS A 53 25.711 28.460 18.844 1.00 19.21 H new ATOM 195 N ASN A 54 25.256 33.897 23.002 1.00 14.07 N ATOM 196 CA ASN A 54 25.225 35.245 22.441 1.00 14.63 C ATOM 197 C ASN A 54 24.735 36.263 23.461 1.00 14.72 C ATOM 198 O ASN A 54 23.692 36.075 24.090 1.00 14.50 O ATOM 199 CB ASN A 54 24.307 35.274 21.222 1.00 16.23 C ATOM 200 CG ASN A 54 24.690 34.243 20.187 1.00 17.69 C ATOM 201 OD1 ASN A 54 25.760 34.320 19.587 1.00 19.51 O ATOM 202 ND2 ASN A 54 23.820 33.260 19.981 1.00 19.38 N ATOM 0 H ASN A 54 24.479 33.548 23.118 1.00 14.07 H new ATOM 0 HA ASN A 54 26.130 35.481 22.185 1.00 14.63 H new ATOM 0 HB2 ASN A 54 23.392 35.119 21.506 1.00 16.23 H new ATOM 0 HB3 ASN A 54 24.334 36.157 20.821 1.00 16.23 H new ATOM 0 HD21 ASN A 54 23.996 32.643 19.408 1.00 19.38 H new ATOM 0 HD22 ASN A 54 23.081 33.241 20.421 1.00 19.38 H new ATOM 203 N PHE A 55 25.487 37.346 23.615 1.00 13.91 N ATOM 204 CA PHE A 55 25.127 38.388 24.568 1.00 13.75 C ATOM 205 C PHE A 55 24.793 39.699 23.871 1.00 15.04 C ATOM 206 O PHE A 55 25.297 39.984 22.785 1.00 14.03 O ATOM 207 CB PHE A 55 26.265 38.601 25.569 1.00 12.43 C ATOM 208 CG PHE A 55 26.576 37.383 26.391 1.00 12.05 C ATOM 209 CD1 PHE A 55 27.266 36.313 25.834 1.00 11.30 C ATOM 210 CD2 PHE A 55 26.122 37.279 27.702 1.00 11.10 C ATOM 211 CE1 PHE A 55 27.495 35.147 26.568 1.00 11.21 C ATOM 212 CE2 PHE A 55 26.344 36.119 28.448 1.00 12.14 C ATOM 213 CZ PHE A 55 27.033 35.049 27.875 1.00 10.09 C ATOM 0 H PHE A 55 26.211 37.497 23.176 1.00 13.91 H new ATOM 0 HA PHE A 55 24.332 38.094 25.040 1.00 13.75 H new ATOM 0 HB2 PHE A 55 27.063 38.870 25.088 1.00 12.43 H new ATOM 0 HB3 PHE A 55 26.032 39.332 26.162 1.00 12.43 H new ATOM 0 HD1 PHE A 55 27.580 36.374 24.961 1.00 11.30 H new ATOM 0 HD2 PHE A 55 25.665 37.991 28.087 1.00 11.10 H new ATOM 0 HE1 PHE A 55 27.956 34.437 26.183 1.00 11.21 H new ATOM 0 HE2 PHE A 55 26.034 36.060 29.323 1.00 12.14 H new ATOM 0 HZ PHE A 55 27.182 34.273 28.366 1.00 10.09 H new ATOM 214 N HIS A 56 23.935 40.491 24.503 1.00 17.09 N ATOM 215 CA HIS A 56 23.538 41.773 23.940 1.00 19.38 C ATOM 216 C HIS A 56 24.751 42.673 23.769 1.00 21.05 C ATOM 217 O HIS A 56 25.568 42.811 24.681 1.00 20.00 O ATOM 218 CB HIS A 56 22.509 42.461 24.843 1.00 19.63 C ATOM 219 CG HIS A 56 21.200 41.737 24.929 1.00 21.62 C ATOM 220 ND1 HIS A 56 20.090 42.276 25.543 1.00 21.74 N ATOM 221 CD2 HIS A 56 20.827 40.511 24.487 1.00 22.31 C ATOM 222 CE1 HIS A 56 19.090 41.414 25.476 1.00 23.09 C ATOM 223 NE2 HIS A 56 19.511 40.336 24.839 1.00 22.80 N ATOM 0 H HIS A 56 23.571 40.304 25.259 1.00 17.09 H new ATOM 0 HA HIS A 56 23.137 41.612 23.072 1.00 19.38 H new ATOM 0 HB2 HIS A 56 22.880 42.547 25.735 1.00 19.63 H new ATOM 0 HB3 HIS A 56 22.351 43.359 24.513 1.00 19.63 H new ATOM 0 HD1 HIS A 56 20.054 43.052 25.912 1.00 21.74 H new ATOM 0 HD2 HIS A 56 21.362 39.902 24.031 1.00 22.31 H new ATOM 0 HE1 HIS A 56 18.235 41.544 25.819 1.00 23.09 H new ATOM 224 N LYS A 57 24.857 43.276 22.588 1.00 23.44 N ATOM 225 CA LYS A 57 25.955 44.178 22.261 1.00 23.59 C ATOM 226 C LYS A 57 26.132 45.236 23.343 1.00 23.50 C ATOM 227 O LYS A 57 27.252 45.616 23.679 1.00 23.19 O ATOM 228 CB LYS A 57 25.673 44.866 20.925 1.00 26.47 C ATOM 229 CG LYS A 57 26.696 45.919 20.527 1.00 31.16 C ATOM 230 CD LYS A 57 26.266 46.645 19.257 1.00 34.75 C ATOM 231 CE LYS A 57 27.261 47.731 18.872 1.00 37.42 C ATOM 232 NZ LYS A 57 26.821 48.486 17.665 1.00 39.28 N ATOM 0 H LYS A 57 24.289 43.172 21.950 1.00 23.44 H new ATOM 0 HA LYS A 57 26.770 43.656 22.201 1.00 23.59 H new ATOM 0 HB2 LYS A 57 25.633 44.191 20.229 1.00 26.47 H new ATOM 0 HB3 LYS A 57 24.798 45.282 20.967 1.00 26.47 H new ATOM 0 HG2 LYS A 57 26.804 46.558 21.248 1.00 31.16 H new ATOM 0 HG3 LYS A 57 27.559 45.500 20.387 1.00 31.16 H new ATOM 0 HD2 LYS A 57 26.184 46.008 18.531 1.00 34.75 H new ATOM 0 HD3 LYS A 57 25.390 47.039 19.389 1.00 34.75 H new ATOM 0 HE2 LYS A 57 27.372 48.345 19.614 1.00 37.42 H new ATOM 0 HE3 LYS A 57 28.128 47.330 18.704 1.00 37.42 H new ATOM 0 HZ1 LYS A 57 27.424 49.111 17.469 1.00 39.28 H new ATOM 0 HZ2 LYS A 57 26.740 47.926 16.978 1.00 39.28 H new ATOM 0 HZ3 LYS A 57 26.036 48.873 17.826 1.00 39.28 H new ATOM 233 N SER A 58 25.014 45.703 23.888 1.00 22.78 N ATOM 234 CA SER A 58 25.031 46.729 24.922 1.00 22.95 C ATOM 235 C SER A 58 25.843 46.342 26.158 1.00 22.84 C ATOM 236 O SER A 58 26.284 47.211 26.909 1.00 22.39 O ATOM 237 CB SER A 58 23.596 47.067 25.331 1.00 22.73 C ATOM 238 OG SER A 58 22.898 45.900 25.728 1.00 25.73 O ATOM 0 H SER A 58 24.227 45.435 23.669 1.00 22.78 H new ATOM 0 HA SER A 58 25.471 47.503 24.537 1.00 22.95 H new ATOM 0 HB2 SER A 58 23.605 47.707 26.060 1.00 22.73 H new ATOM 0 HB3 SER A 58 23.134 47.488 24.589 1.00 22.73 H new ATOM 0 HG SER A 58 22.114 46.104 25.950 1.00 25.73 H new ATOM 239 N THR A 59 26.039 45.044 26.371 1.00 21.63 N ATOM 240 CA THR A 59 26.803 44.573 27.528 1.00 21.25 C ATOM 241 C THR A 59 28.300 44.576 27.237 1.00 22.58 C ATOM 242 O THR A 59 29.119 44.620 28.155 1.00 23.51 O ATOM 243 CB THR A 59 26.423 43.133 27.922 1.00 18.99 C ATOM 244 OG1 THR A 59 26.856 42.231 26.893 1.00 16.65 O ATOM 245 CG2 THR A 59 24.919 43.006 28.116 1.00 16.48 C ATOM 0 H THR A 59 25.740 44.420 25.861 1.00 21.63 H new ATOM 0 HA THR A 59 26.590 45.183 28.252 1.00 21.25 H new ATOM 0 HB THR A 59 26.859 42.912 28.760 1.00 18.99 H new ATOM 0 HG1 THR A 59 26.358 42.312 26.221 1.00 16.65 H new ATOM 0 HG21 THR A 59 24.700 42.094 28.363 1.00 16.48 H new ATOM 0 HG22 THR A 59 24.631 43.609 28.819 1.00 16.48 H new ATOM 0 HG23 THR A 59 24.466 43.234 27.289 1.00 16.48 H new ATOM 246 N GLY A 60 28.651 44.515 25.958 1.00 23.49 N ATOM 247 CA GLY A 60 30.052 44.503 25.584 1.00 25.91 C ATOM 248 C GLY A 60 30.676 43.127 25.727 1.00 27.17 C ATOM 249 O GLY A 60 31.886 42.971 25.552 1.00 28.21 O ATOM 0 H GLY A 60 28.098 44.480 25.300 1.00 23.49 H new ATOM 0 HA2 GLY A 60 30.142 44.802 24.666 1.00 25.91 H new ATOM 0 HA3 GLY A 60 30.537 45.135 26.137 1.00 25.91 H new ATOM 250 N MET A 61 29.858 42.126 26.050 1.00 26.18 N ATOM 251 CA MET A 61 30.356 40.762 26.205 1.00 25.89 C ATOM 252 C MET A 61 30.453 40.092 24.840 1.00 25.47 C ATOM 253 O MET A 61 29.677 40.396 23.934 1.00 26.28 O ATOM 254 CB MET A 61 29.427 39.940 27.110 1.00 25.53 C ATOM 255 CG MET A 61 29.072 40.626 28.414 1.00 26.21 C ATOM 256 SD MET A 61 28.677 39.505 29.775 1.00 25.27 S ATOM 257 CE MET A 61 26.954 39.956 30.063 1.00 24.27 C ATOM 0 H MET A 61 29.013 42.216 26.183 1.00 26.18 H new ATOM 0 HA MET A 61 31.234 40.803 26.616 1.00 25.89 H new ATOM 0 HB2 MET A 61 28.610 39.743 26.626 1.00 25.53 H new ATOM 0 HB3 MET A 61 29.851 39.090 27.307 1.00 25.53 H new ATOM 0 HG2 MET A 61 29.815 41.190 28.681 1.00 26.21 H new ATOM 0 HG3 MET A 61 28.313 41.210 28.262 1.00 26.21 H new ATOM 0 HE1 MET A 61 26.449 39.165 30.306 1.00 24.27 H new ATOM 0 HE2 MET A 61 26.905 40.605 30.783 1.00 24.27 H new ATOM 0 HE3 MET A 61 26.581 40.342 29.255 1.00 24.27 H new ATOM 258 N THR A 62 31.408 39.182 24.695 1.00 24.37 N ATOM 259 CA THR A 62 31.597 38.472 23.437 1.00 24.05 C ATOM 260 C THR A 62 30.878 37.128 23.494 1.00 22.00 C ATOM 261 O THR A 62 30.473 36.678 24.568 1.00 21.84 O ATOM 262 CB THR A 62 33.090 38.224 23.160 1.00 26.26 C ATOM 263 OG1 THR A 62 33.643 37.433 24.219 1.00 28.50 O ATOM 264 CG2 THR A 62 33.840 39.542 23.080 1.00 27.68 C ATOM 0 H THR A 62 31.960 38.960 25.316 1.00 24.37 H new ATOM 0 HA THR A 62 31.232 39.020 22.725 1.00 24.05 H new ATOM 0 HB THR A 62 33.178 37.758 22.314 1.00 26.26 H new ATOM 0 HG1 THR A 62 33.810 37.925 24.879 1.00 28.50 H new ATOM 0 HG21 THR A 62 34.779 39.370 22.905 1.00 27.68 H new ATOM 0 HG22 THR A 62 33.471 40.081 22.363 1.00 27.68 H new ATOM 0 HG23 THR A 62 33.750 40.017 23.921 1.00 27.68 H new ATOM 265 N SER A 63 30.720 36.488 22.342 1.00 17.96 N ATOM 266 CA SER A 63 30.047 35.199 22.289 1.00 18.22 C ATOM 267 C SER A 63 30.936 34.105 22.868 1.00 16.65 C ATOM 268 O SER A 63 32.164 34.228 22.885 1.00 17.08 O ATOM 269 CB SER A 63 29.663 34.863 20.846 1.00 19.41 C ATOM 270 OG SER A 63 30.802 34.853 20.007 1.00 25.03 O ATOM 0 H SER A 63 30.995 36.782 21.582 1.00 17.96 H new ATOM 0 HA SER A 63 29.239 35.251 22.824 1.00 18.22 H new ATOM 0 HB2 SER A 63 29.228 33.996 20.817 1.00 19.41 H new ATOM 0 HB3 SER A 63 29.022 35.513 20.519 1.00 19.41 H new ATOM 0 HG SER A 63 30.852 35.582 19.593 1.00 25.03 H new ATOM 271 N ARG A 64 30.309 33.038 23.351 1.00 14.44 N ATOM 272 CA ARG A 64 31.043 31.927 23.943 1.00 13.06 C ATOM 273 C ARG A 64 31.124 30.739 22.989 1.00 13.69 C ATOM 274 O ARG A 64 30.377 29.766 23.106 1.00 13.43 O ATOM 275 CB ARG A 64 30.387 31.529 25.268 1.00 11.13 C ATOM 276 CG ARG A 64 30.417 32.663 26.299 1.00 11.36 C ATOM 277 CD ARG A 64 29.703 32.315 27.605 1.00 9.46 C ATOM 278 NE ARG A 64 30.278 31.130 28.230 1.00 7.80 N ATOM 279 CZ ARG A 64 29.779 29.905 28.106 1.00 8.83 C ATOM 280 NH1 ARG A 64 28.681 29.700 27.387 1.00 5.00 N ATOM 281 NH2 ARG A 64 30.396 28.880 28.678 1.00 5.37 N ATOM 0 H ARG A 64 29.455 32.938 23.345 1.00 14.44 H new ATOM 0 HA ARG A 64 31.954 32.213 24.115 1.00 13.06 H new ATOM 0 HB2 ARG A 64 29.467 31.268 25.105 1.00 11.13 H new ATOM 0 HB3 ARG A 64 30.842 30.753 25.631 1.00 11.13 H new ATOM 0 HG2 ARG A 64 31.340 32.890 26.493 1.00 11.36 H new ATOM 0 HG3 ARG A 64 30.006 33.452 25.914 1.00 11.36 H new ATOM 0 HD2 ARG A 64 29.762 33.065 28.217 1.00 9.46 H new ATOM 0 HD3 ARG A 64 28.761 32.165 27.430 1.00 9.46 H new ATOM 0 HE ARG A 64 30.985 31.230 28.709 1.00 7.80 H new ATOM 0 HH11 ARG A 64 28.291 30.361 27.000 1.00 5.00 H new ATOM 0 HH12 ARG A 64 28.360 28.906 27.309 1.00 5.00 H new ATOM 0 HH21 ARG A 64 31.117 29.009 29.128 1.00 5.37 H new ATOM 0 HH22 ARG A 64 30.075 28.086 28.599 1.00 5.37 H new ATOM 282 N SER A 65 32.046 30.837 22.038 1.00 13.90 N ATOM 283 CA SER A 65 32.250 29.794 21.048 1.00 14.36 C ATOM 284 C SER A 65 32.499 28.438 21.699 1.00 13.20 C ATOM 285 O SER A 65 33.265 28.326 22.657 1.00 12.42 O ATOM 286 CB SER A 65 33.431 30.158 20.144 1.00 17.40 C ATOM 287 OG SER A 65 33.592 29.197 19.117 1.00 21.98 O ATOM 0 H SER A 65 32.571 31.513 21.951 1.00 13.90 H new ATOM 0 HA SER A 65 31.440 29.726 20.519 1.00 14.36 H new ATOM 0 HB2 SER A 65 33.287 31.034 19.753 1.00 17.40 H new ATOM 0 HB3 SER A 65 34.243 30.213 20.672 1.00 17.40 H new ATOM 0 HG SER A 65 33.990 28.524 19.423 1.00 21.98 H new ATOM 288 N GLY A 66 31.837 27.410 21.176 1.00 12.41 N ATOM 289 CA GLY A 66 32.004 26.072 21.708 1.00 11.80 C ATOM 290 C GLY A 66 31.036 25.680 22.810 1.00 11.74 C ATOM 291 O GLY A 66 31.001 24.513 23.207 1.00 11.53 O ATOM 0 H GLY A 66 31.290 27.470 20.515 1.00 12.41 H new ATOM 0 HA2 GLY A 66 31.914 25.438 20.980 1.00 11.80 H new ATOM 0 HA3 GLY A 66 32.908 25.987 22.048 1.00 11.80 H new ATOM 292 N THR A 67 30.245 26.626 23.311 1.00 10.90 N ATOM 293 CA THR A 67 29.309 26.298 24.386 1.00 11.03 C ATOM 294 C THR A 67 28.197 25.349 23.935 1.00 11.66 C ATOM 295 O THR A 67 27.685 24.562 24.737 1.00 9.25 O ATOM 296 CB THR A 67 28.676 27.563 25.011 1.00 11.05 C ATOM 297 OG1 THR A 67 27.992 27.201 26.220 1.00 10.52 O ATOM 298 CG2 THR A 67 27.685 28.204 24.054 1.00 10.49 C ATOM 0 H THR A 67 30.233 27.446 23.051 1.00 10.90 H new ATOM 0 HA THR A 67 29.842 25.845 25.058 1.00 11.03 H new ATOM 0 HB THR A 67 29.383 28.200 25.199 1.00 11.05 H new ATOM 0 HG1 THR A 67 27.165 27.177 26.077 1.00 10.52 H new ATOM 0 HG21 THR A 67 27.301 28.994 24.466 1.00 10.49 H new ATOM 0 HG22 THR A 67 28.141 28.456 23.236 1.00 10.49 H new ATOM 0 HG23 THR A 67 26.979 27.572 23.848 1.00 10.49 H new ATOM 299 N ASP A 68 27.827 25.407 22.656 1.00 11.94 N ATOM 300 CA ASP A 68 26.781 24.519 22.151 1.00 12.18 C ATOM 301 C ASP A 68 27.224 23.066 22.249 1.00 11.56 C ATOM 302 O ASP A 68 26.397 22.167 22.411 1.00 11.80 O ATOM 303 CB ASP A 68 26.424 24.855 20.701 1.00 12.09 C ATOM 304 CG ASP A 68 25.805 26.228 20.563 1.00 14.00 C ATOM 305 OD1 ASP A 68 25.338 26.768 21.587 1.00 12.67 O ATOM 306 OD2 ASP A 68 25.779 26.762 19.435 1.00 15.19 O ATOM 0 H ASP A 68 28.162 25.943 22.073 1.00 11.94 H new ATOM 0 HA ASP A 68 25.992 24.649 22.700 1.00 12.18 H new ATOM 0 HB2 ASP A 68 27.224 24.807 20.154 1.00 12.09 H new ATOM 0 HB3 ASP A 68 25.807 24.189 20.360 1.00 12.09 H new ATOM 307 N VAL A 69 28.530 22.839 22.147 1.00 10.37 N ATOM 308 CA VAL A 69 29.074 21.492 22.253 1.00 11.30 C ATOM 309 C VAL A 69 28.876 21.009 23.691 1.00 9.72 C ATOM 310 O VAL A 69 28.538 19.849 23.923 1.00 9.52 O ATOM 311 CB VAL A 69 30.582 21.460 21.906 1.00 12.65 C ATOM 312 CG1 VAL A 69 31.128 20.054 22.090 1.00 14.62 C ATOM 313 CG2 VAL A 69 30.796 21.913 20.466 1.00 15.17 C ATOM 0 H VAL A 69 29.118 23.453 22.016 1.00 10.37 H new ATOM 0 HA VAL A 69 28.613 20.916 21.624 1.00 11.30 H new ATOM 0 HB VAL A 69 31.054 22.064 22.501 1.00 12.65 H new ATOM 0 HG11 VAL A 69 32.073 20.042 21.871 1.00 14.62 H new ATOM 0 HG12 VAL A 69 31.007 19.778 23.012 1.00 14.62 H new ATOM 0 HG13 VAL A 69 30.653 19.443 21.505 1.00 14.62 H new ATOM 0 HG21 VAL A 69 31.743 21.890 20.257 1.00 15.17 H new ATOM 0 HG22 VAL A 69 30.318 21.320 19.866 1.00 15.17 H new ATOM 0 HG23 VAL A 69 30.463 22.818 20.358 1.00 15.17 H new ATOM 314 N ASP A 70 29.089 21.906 24.651 1.00 9.19 N ATOM 315 CA ASP A 70 28.905 21.575 26.067 1.00 9.24 C ATOM 316 C ASP A 70 27.436 21.253 26.332 1.00 9.45 C ATOM 317 O ASP A 70 27.115 20.246 26.953 1.00 10.58 O ATOM 318 CB ASP A 70 29.314 22.752 26.966 1.00 8.30 C ATOM 319 CG ASP A 70 30.818 22.831 27.201 1.00 8.06 C ATOM 320 OD1 ASP A 70 31.557 21.954 26.710 1.00 8.21 O ATOM 321 OD2 ASP A 70 31.258 23.778 27.889 1.00 9.57 O ATOM 0 H ASP A 70 29.341 22.715 24.505 1.00 9.19 H new ATOM 0 HA ASP A 70 29.464 20.809 26.270 1.00 9.24 H new ATOM 0 HB2 ASP A 70 29.011 23.580 26.562 1.00 8.30 H new ATOM 0 HB3 ASP A 70 28.862 22.671 27.821 1.00 8.30 H new ATOM 322 N ALA A 71 26.549 22.125 25.862 1.00 9.99 N ATOM 323 CA ALA A 71 25.113 21.943 26.058 1.00 10.25 C ATOM 324 C ALA A 71 24.628 20.599 25.512 1.00 8.89 C ATOM 325 O ALA A 71 23.856 19.896 26.168 1.00 9.10 O ATOM 326 CB ALA A 71 24.348 23.089 25.391 1.00 9.70 C ATOM 0 H ALA A 71 26.760 22.834 25.423 1.00 9.99 H new ATOM 0 HA ALA A 71 24.942 21.949 27.013 1.00 10.25 H new ATOM 0 HB1 ALA A 71 23.395 22.963 25.524 1.00 9.70 H new ATOM 0 HB2 ALA A 71 24.620 23.933 25.785 1.00 9.70 H new ATOM 0 HB3 ALA A 71 24.543 23.098 24.441 1.00 9.70 H new ATOM 327 N ALA A 72 25.078 20.245 24.313 1.00 7.97 N ATOM 328 CA ALA A 72 24.681 18.981 23.693 1.00 8.75 C ATOM 329 C ALA A 72 25.270 17.789 24.441 1.00 10.40 C ATOM 330 O ALA A 72 24.614 16.756 24.597 1.00 9.76 O ATOM 331 CB ALA A 72 25.123 18.954 22.234 1.00 10.65 C ATOM 0 H ALA A 72 25.615 20.722 23.840 1.00 7.97 H new ATOM 0 HA ALA A 72 23.714 18.915 23.737 1.00 8.75 H new ATOM 0 HB1 ALA A 72 24.856 18.113 21.830 1.00 10.65 H new ATOM 0 HB2 ALA A 72 24.707 19.688 21.756 1.00 10.65 H new ATOM 0 HB3 ALA A 72 26.088 19.043 22.186 1.00 10.65 H new ATOM 332 N ASN A 73 26.510 17.932 24.902 1.00 10.90 N ATOM 333 CA ASN A 73 27.177 16.857 25.632 1.00 10.84 C ATOM 334 C ASN A 73 26.423 16.593 26.937 1.00 11.76 C ATOM 335 O ASN A 73 26.212 15.442 27.329 1.00 10.68 O ATOM 336 CB ASN A 73 28.627 17.254 25.932 1.00 11.50 C ATOM 337 CG ASN A 73 29.510 16.059 26.252 1.00 12.41 C ATOM 338 OD1 ASN A 73 29.035 14.927 26.367 1.00 13.57 O ATOM 339 ND2 ASN A 73 30.806 16.310 26.401 1.00 11.94 N ATOM 0 H ASN A 73 26.983 18.644 24.803 1.00 10.90 H new ATOM 0 HA ASN A 73 27.181 16.050 25.094 1.00 10.84 H new ATOM 0 HB2 ASN A 73 28.993 17.726 25.168 1.00 11.50 H new ATOM 0 HB3 ASN A 73 28.641 17.871 26.680 1.00 11.50 H new ATOM 0 HD21 ASN A 73 31.350 15.670 26.585 1.00 11.94 H new ATOM 0 HD22 ASN A 73 31.101 17.113 26.313 1.00 11.94 H new ATOM 340 N LEU A 74 26.014 17.672 27.601 1.00 9.79 N ATOM 341 CA LEU A 74 25.281 17.573 28.862 1.00 10.22 C ATOM 342 C LEU A 74 23.924 16.900 28.673 1.00 8.31 C ATOM 343 O LEU A 74 23.547 16.018 29.443 1.00 7.69 O ATOM 344 CB LEU A 74 25.084 18.969 29.465 1.00 10.08 C ATOM 345 CG LEU A 74 26.334 19.593 30.093 1.00 10.21 C ATOM 346 CD1 LEU A 74 26.123 21.079 30.309 1.00 10.82 C ATOM 347 CD2 LEU A 74 26.640 18.897 31.412 1.00 9.81 C ATOM 0 H LEU A 74 26.153 18.478 27.335 1.00 9.79 H new ATOM 0 HA LEU A 74 25.807 17.026 29.466 1.00 10.22 H new ATOM 0 HB2 LEU A 74 24.759 19.562 28.770 1.00 10.08 H new ATOM 0 HB3 LEU A 74 24.391 18.918 30.142 1.00 10.08 H new ATOM 0 HG LEU A 74 27.088 19.478 29.494 1.00 10.21 H new ATOM 0 HD11 LEU A 74 26.919 21.465 30.707 1.00 10.82 H new ATOM 0 HD12 LEU A 74 25.947 21.508 29.457 1.00 10.82 H new ATOM 0 HD13 LEU A 74 25.367 21.216 30.902 1.00 10.82 H new ATOM 0 HD21 LEU A 74 27.432 19.292 31.810 1.00 9.81 H new ATOM 0 HD22 LEU A 74 25.888 19.002 32.016 1.00 9.81 H new ATOM 0 HD23 LEU A 74 26.796 17.953 31.252 1.00 9.81 H new ATOM 348 N ARG A 75 23.194 17.319 27.646 1.00 7.42 N ATOM 349 CA ARG A 75 21.879 16.748 27.365 1.00 9.52 C ATOM 350 C ARG A 75 21.963 15.237 27.179 1.00 8.44 C ATOM 351 O ARG A 75 21.171 14.493 27.753 1.00 9.87 O ATOM 352 CB ARG A 75 21.277 17.394 26.112 1.00 10.39 C ATOM 353 CG ARG A 75 19.873 16.912 25.761 1.00 13.12 C ATOM 354 CD ARG A 75 19.219 17.877 24.776 1.00 18.17 C ATOM 355 NE ARG A 75 17.826 17.549 24.477 1.00 17.57 N ATOM 356 CZ ARG A 75 17.417 16.982 23.346 1.00 21.00 C ATOM 357 NH1 ARG A 75 18.295 16.672 22.400 1.00 20.69 N ATOM 358 NH2 ARG A 75 16.124 16.741 23.151 1.00 18.77 N ATOM 0 H ARG A 75 23.441 17.934 27.098 1.00 7.42 H new ATOM 0 HA ARG A 75 21.306 16.930 28.126 1.00 9.52 H new ATOM 0 HB2 ARG A 75 21.254 18.356 26.237 1.00 10.39 H new ATOM 0 HB3 ARG A 75 21.864 17.220 25.359 1.00 10.39 H new ATOM 0 HG2 ARG A 75 19.915 16.023 25.374 1.00 13.12 H new ATOM 0 HG3 ARG A 75 19.335 16.846 26.566 1.00 13.12 H new ATOM 0 HD2 ARG A 75 19.262 18.776 25.138 1.00 18.17 H new ATOM 0 HD3 ARG A 75 19.728 17.879 23.950 1.00 18.17 H new ATOM 0 HE ARG A 75 17.233 17.735 25.071 1.00 17.57 H new ATOM 0 HH11 ARG A 75 19.131 16.838 22.518 1.00 20.69 H new ATOM 0 HH12 ARG A 75 18.028 16.305 21.669 1.00 20.69 H new ATOM 0 HH21 ARG A 75 15.551 16.952 23.757 1.00 18.77 H new ATOM 0 HH22 ARG A 75 15.861 16.374 22.419 1.00 18.77 H new ATOM 359 N GLU A 76 22.925 14.783 26.384 1.00 8.25 N ATOM 360 CA GLU A 76 23.086 13.350 26.149 1.00 10.19 C ATOM 361 C GLU A 76 23.522 12.615 27.419 1.00 10.06 C ATOM 362 O GLU A 76 23.017 11.537 27.730 1.00 9.73 O ATOM 363 CB GLU A 76 24.116 13.105 25.041 1.00 10.79 C ATOM 364 CG GLU A 76 24.419 11.629 24.797 1.00 14.28 C ATOM 365 CD GLU A 76 23.222 10.857 24.259 1.00 16.17 C ATOM 366 OE1 GLU A 76 23.292 9.608 24.199 1.00 16.01 O ATOM 367 OE2 GLU A 76 22.214 11.498 23.888 1.00 14.10 O ATOM 0 H GLU A 76 23.492 15.282 25.973 1.00 8.25 H new ATOM 0 HA GLU A 76 22.222 13.002 25.876 1.00 10.19 H new ATOM 0 HB2 GLU A 76 23.792 13.501 24.217 1.00 10.79 H new ATOM 0 HB3 GLU A 76 24.940 13.562 25.270 1.00 10.79 H new ATOM 0 HG2 GLU A 76 25.154 11.554 24.169 1.00 14.28 H new ATOM 0 HG3 GLU A 76 24.713 11.223 25.627 1.00 14.28 H new ATOM 368 N THR A 77 24.460 13.204 28.150 1.00 8.50 N ATOM 369 CA THR A 77 24.966 12.597 29.375 1.00 8.92 C ATOM 370 C THR A 77 23.881 12.403 30.429 1.00 9.32 C ATOM 371 O THR A 77 23.710 11.303 30.962 1.00 8.00 O ATOM 372 CB THR A 77 26.091 13.445 29.982 1.00 10.07 C ATOM 373 OG1 THR A 77 27.160 13.558 29.036 1.00 10.60 O ATOM 374 CG2 THR A 77 26.622 12.794 31.253 1.00 10.12 C ATOM 0 H THR A 77 24.819 13.960 27.953 1.00 8.50 H new ATOM 0 HA THR A 77 25.303 11.724 29.119 1.00 8.92 H new ATOM 0 HB THR A 77 25.739 14.323 30.198 1.00 10.07 H new ATOM 0 HG1 THR A 77 26.959 14.128 28.453 1.00 10.60 H new ATOM 0 HG21 THR A 77 27.332 13.341 31.625 1.00 10.12 H new ATOM 0 HG22 THR A 77 25.904 12.714 31.900 1.00 10.12 H new ATOM 0 HG23 THR A 77 26.969 11.913 31.045 1.00 10.12 H new ATOM 375 N PHE A 78 23.147 13.468 30.734 1.00 7.32 N ATOM 376 CA PHE A 78 22.096 13.377 31.736 1.00 7.89 C ATOM 377 C PHE A 78 20.861 12.642 31.225 1.00 8.78 C ATOM 378 O PHE A 78 20.033 12.181 32.014 1.00 9.63 O ATOM 379 CB PHE A 78 21.750 14.776 32.259 1.00 7.48 C ATOM 380 CG PHE A 78 22.729 15.284 33.289 1.00 8.25 C ATOM 381 CD1 PHE A 78 22.615 14.899 34.622 1.00 7.17 C ATOM 382 CD2 PHE A 78 23.795 16.102 32.917 1.00 9.23 C ATOM 383 CE1 PHE A 78 23.549 15.317 35.577 1.00 6.53 C ATOM 384 CE2 PHE A 78 24.737 16.526 33.865 1.00 8.84 C ATOM 385 CZ PHE A 78 24.613 16.131 35.197 1.00 7.08 C ATOM 0 H PHE A 78 23.241 14.244 30.376 1.00 7.32 H new ATOM 0 HA PHE A 78 22.434 12.844 32.473 1.00 7.89 H new ATOM 0 HB2 PHE A 78 21.723 15.396 31.514 1.00 7.48 H new ATOM 0 HB3 PHE A 78 20.861 14.759 32.647 1.00 7.48 H new ATOM 0 HD1 PHE A 78 21.907 14.355 34.882 1.00 7.17 H new ATOM 0 HD2 PHE A 78 23.882 16.369 32.031 1.00 9.23 H new ATOM 0 HE1 PHE A 78 23.459 15.052 36.464 1.00 6.53 H new ATOM 0 HE2 PHE A 78 25.445 17.071 33.606 1.00 8.84 H new ATOM 0 HZ PHE A 78 25.237 16.410 35.828 1.00 7.08 H new ATOM 386 N ARG A 79 20.741 12.526 29.906 1.00 9.50 N ATOM 387 CA ARG A 79 19.626 11.796 29.313 1.00 10.32 C ATOM 388 C ARG A 79 19.817 10.328 29.685 1.00 10.68 C ATOM 389 O ARG A 79 18.867 9.642 30.070 1.00 11.16 O ATOM 390 CB ARG A 79 19.632 11.927 27.784 1.00 9.68 C ATOM 391 CG ARG A 79 18.551 11.091 27.076 1.00 11.54 C ATOM 392 CD ARG A 79 18.666 11.182 25.548 1.00 11.96 C ATOM 393 NE ARG A 79 19.738 10.345 25.015 1.00 11.40 N ATOM 394 CZ ARG A 79 19.645 9.029 24.849 1.00 15.39 C ATOM 395 NH1 ARG A 79 18.523 8.395 25.164 1.00 12.80 N ATOM 396 NH2 ARG A 79 20.681 8.341 24.384 1.00 14.70 N ATOM 0 H ARG A 79 21.293 12.862 29.338 1.00 9.50 H new ATOM 0 HA ARG A 79 18.784 12.150 29.639 1.00 10.32 H new ATOM 0 HB2 ARG A 79 19.511 12.860 27.549 1.00 9.68 H new ATOM 0 HB3 ARG A 79 20.503 11.661 27.450 1.00 9.68 H new ATOM 0 HG2 ARG A 79 18.628 10.164 27.351 1.00 11.54 H new ATOM 0 HG3 ARG A 79 17.673 11.397 27.353 1.00 11.54 H new ATOM 0 HD2 ARG A 79 17.823 10.917 25.147 1.00 11.96 H new ATOM 0 HD3 ARG A 79 18.823 12.105 25.293 1.00 11.96 H new ATOM 0 HE ARG A 79 20.476 10.728 24.795 1.00 11.40 H new ATOM 0 HH11 ARG A 79 17.854 8.835 25.476 1.00 12.80 H new ATOM 0 HH12 ARG A 79 18.465 7.544 25.056 1.00 12.80 H new ATOM 0 HH21 ARG A 79 21.414 8.746 24.190 1.00 14.70 H new ATOM 0 HH22 ARG A 79 20.619 7.490 24.277 1.00 14.70 H new ATOM 397 N ASN A 80 21.054 9.853 29.568 1.00 11.01 N ATOM 398 CA ASN A 80 21.369 8.463 29.881 1.00 12.34 C ATOM 399 C ASN A 80 21.336 8.167 31.379 1.00 12.99 C ATOM 400 O ASN A 80 21.407 7.006 31.789 1.00 12.46 O ATOM 401 CB ASN A 80 22.731 8.076 29.288 1.00 14.58 C ATOM 402 CG ASN A 80 22.678 7.915 27.772 1.00 19.88 C ATOM 403 OD1 ASN A 80 21.755 7.297 27.236 1.00 21.19 O ATOM 404 ND2 ASN A 80 23.671 8.460 27.077 1.00 20.61 N ATOM 0 H ASN A 80 21.727 10.321 29.308 1.00 11.01 H new ATOM 0 HA ASN A 80 20.674 7.921 29.475 1.00 12.34 H new ATOM 0 HB2 ASN A 80 23.385 8.755 29.516 1.00 14.58 H new ATOM 0 HB3 ASN A 80 23.032 7.246 29.689 1.00 14.58 H new ATOM 0 HD21 ASN A 80 23.686 8.388 26.220 1.00 20.61 H new ATOM 0 HD22 ASN A 80 24.299 8.884 27.484 1.00 20.61 H new ATOM 405 N LEU A 81 21.234 9.218 32.191 1.00 11.19 N ATOM 406 CA LEU A 81 21.153 9.060 33.641 1.00 10.93 C ATOM 407 C LEU A 81 19.682 9.138 34.029 1.00 10.72 C ATOM 408 O LEU A 81 19.332 9.122 35.210 1.00 10.40 O ATOM 409 CB LEU A 81 21.954 10.154 34.356 1.00 10.76 C ATOM 410 CG LEU A 81 23.475 10.046 34.209 1.00 11.74 C ATOM 411 CD1 LEU A 81 24.152 11.204 34.917 1.00 12.03 C ATOM 412 CD2 LEU A 81 23.944 8.718 34.791 1.00 14.09 C ATOM 0 H LEU A 81 21.210 10.034 31.920 1.00 11.19 H new ATOM 0 HA LEU A 81 21.532 8.207 33.906 1.00 10.93 H new ATOM 0 HB2 LEU A 81 21.671 11.017 34.016 1.00 10.76 H new ATOM 0 HB3 LEU A 81 21.732 10.134 35.300 1.00 10.76 H new ATOM 0 HG LEU A 81 23.713 10.083 33.269 1.00 11.74 H new ATOM 0 HD11 LEU A 81 25.114 11.126 34.818 1.00 12.03 H new ATOM 0 HD12 LEU A 81 23.854 12.041 34.527 1.00 12.03 H new ATOM 0 HD13 LEU A 81 23.922 11.187 35.859 1.00 12.03 H new ATOM 0 HD21 LEU A 81 24.907 8.646 34.699 1.00 14.09 H new ATOM 0 HD22 LEU A 81 23.705 8.673 35.730 1.00 14.09 H new ATOM 0 HD23 LEU A 81 23.519 7.988 34.315 1.00 14.09 H new ATOM 413 N LYS A 82 18.833 9.230 33.004 1.00 8.83 N ATOM 414 CA LYS A 82 17.376 9.284 33.154 1.00 9.28 C ATOM 415 C LYS A 82 16.804 10.596 33.693 1.00 10.00 C ATOM 416 O LYS A 82 15.724 10.609 34.287 1.00 11.08 O ATOM 417 CB LYS A 82 16.897 8.118 34.027 1.00 8.40 C ATOM 418 CG LYS A 82 17.496 6.770 33.643 1.00 8.90 C ATOM 419 CD LYS A 82 17.282 6.451 32.168 1.00 11.00 C ATOM 420 CE LYS A 82 18.035 5.187 31.765 1.00 12.05 C ATOM 421 NZ LYS A 82 17.857 4.883 30.320 1.00 16.16 N ATOM 0 H LYS A 82 19.093 9.263 32.185 1.00 8.83 H new ATOM 0 HA LYS A 82 17.036 9.217 32.248 1.00 9.28 H new ATOM 0 HB2 LYS A 82 17.117 8.307 34.953 1.00 8.40 H new ATOM 0 HB3 LYS A 82 15.930 8.060 33.971 1.00 8.40 H new ATOM 0 HG2 LYS A 82 18.446 6.771 33.838 1.00 8.90 H new ATOM 0 HG3 LYS A 82 17.096 6.073 34.186 1.00 8.90 H new ATOM 0 HD2 LYS A 82 16.335 6.337 31.993 1.00 11.00 H new ATOM 0 HD3 LYS A 82 17.583 7.197 31.626 1.00 11.00 H new ATOM 0 HE2 LYS A 82 18.979 5.295 31.960 1.00 12.05 H new ATOM 0 HE3 LYS A 82 17.720 4.438 32.295 1.00 12.05 H new ATOM 0 HZ1 LYS A 82 18.363 4.185 30.099 1.00 16.16 H new ATOM 0 HZ2 LYS A 82 17.003 4.692 30.160 1.00 16.16 H new ATOM 0 HZ3 LYS A 82 18.098 5.590 29.836 1.00 16.16 H new ATOM 422 N TYR A 83 17.521 11.699 33.493 1.00 9.48 N ATOM 423 CA TYR A 83 17.029 12.997 33.942 1.00 9.50 C ATOM 424 C TYR A 83 16.145 13.623 32.876 1.00 8.52 C ATOM 425 O TYR A 83 16.321 13.373 31.684 1.00 8.31 O ATOM 426 CB TYR A 83 18.181 13.969 34.242 1.00 7.05 C ATOM 427 CG TYR A 83 18.774 13.809 35.621 1.00 8.36 C ATOM 428 CD1 TYR A 83 19.736 12.836 35.878 1.00 8.07 C ATOM 429 CD2 TYR A 83 18.331 14.601 36.684 1.00 8.82 C ATOM 430 CE1 TYR A 83 20.247 12.650 37.166 1.00 9.64 C ATOM 431 CE2 TYR A 83 18.831 14.421 37.975 1.00 5.92 C ATOM 432 CZ TYR A 83 19.787 13.443 38.207 1.00 9.23 C ATOM 433 OH TYR A 83 20.274 13.245 39.479 1.00 8.77 O ATOM 0 H TYR A 83 18.287 11.717 33.103 1.00 9.48 H new ATOM 0 HA TYR A 83 16.524 12.842 34.756 1.00 9.50 H new ATOM 0 HB2 TYR A 83 18.880 13.841 33.582 1.00 7.05 H new ATOM 0 HB3 TYR A 83 17.859 14.879 34.142 1.00 7.05 H new ATOM 0 HD1 TYR A 83 20.044 12.301 35.182 1.00 8.07 H new ATOM 0 HD2 TYR A 83 17.692 15.259 36.529 1.00 8.82 H new ATOM 0 HE1 TYR A 83 20.892 11.998 37.324 1.00 9.64 H new ATOM 0 HE2 TYR A 83 18.525 14.953 38.674 1.00 5.92 H new ATOM 0 HH TYR A 83 19.715 13.525 40.040 1.00 8.77 H new ATOM 434 N GLU A 84 15.187 14.428 33.316 1.00 7.94 N ATOM 435 CA GLU A 84 14.305 15.134 32.397 1.00 8.44 C ATOM 436 C GLU A 84 15.094 16.390 32.041 1.00 8.48 C ATOM 437 O GLU A 84 15.102 17.356 32.798 1.00 9.22 O ATOM 438 CB GLU A 84 13.006 15.521 33.100 1.00 9.54 C ATOM 439 CG GLU A 84 11.971 16.160 32.194 1.00 13.01 C ATOM 440 CD GLU A 84 10.747 16.623 32.958 1.00 13.46 C ATOM 441 OE1 GLU A 84 10.255 15.860 33.815 1.00 14.38 O ATOM 442 OE2 GLU A 84 10.271 17.745 32.698 1.00 14.99 O ATOM 0 H GLU A 84 15.030 14.580 34.148 1.00 7.94 H new ATOM 0 HA GLU A 84 14.060 14.601 31.625 1.00 8.44 H new ATOM 0 HB2 GLU A 84 12.621 14.728 33.504 1.00 9.54 H new ATOM 0 HB3 GLU A 84 13.212 16.136 33.822 1.00 9.54 H new ATOM 0 HG2 GLU A 84 12.369 16.916 31.735 1.00 13.01 H new ATOM 0 HG3 GLU A 84 11.703 15.524 31.513 1.00 13.01 H new ATOM 443 N VAL A 85 15.767 16.370 30.897 1.00 8.75 N ATOM 444 CA VAL A 85 16.578 17.508 30.482 1.00 8.15 C ATOM 445 C VAL A 85 15.788 18.578 29.739 1.00 9.49 C ATOM 446 O VAL A 85 15.067 18.286 28.780 1.00 8.38 O ATOM 447 CB VAL A 85 17.756 17.053 29.581 1.00 9.08 C ATOM 448 CG1 VAL A 85 18.632 18.245 29.216 1.00 9.23 C ATOM 449 CG2 VAL A 85 18.576 15.984 30.291 1.00 8.45 C ATOM 0 H VAL A 85 15.768 15.709 30.347 1.00 8.75 H new ATOM 0 HA VAL A 85 16.910 17.899 31.306 1.00 8.15 H new ATOM 0 HB VAL A 85 17.397 16.674 28.763 1.00 9.08 H new ATOM 0 HG11 VAL A 85 19.364 17.948 28.653 1.00 9.23 H new ATOM 0 HG12 VAL A 85 18.102 18.902 28.737 1.00 9.23 H new ATOM 0 HG13 VAL A 85 18.988 18.645 30.025 1.00 9.23 H new ATOM 0 HG21 VAL A 85 19.309 15.706 29.720 1.00 8.45 H new ATOM 0 HG22 VAL A 85 18.930 16.344 31.119 1.00 8.45 H new ATOM 0 HG23 VAL A 85 18.012 15.220 30.486 1.00 8.45 H new ATOM 450 N ARG A 86 15.922 19.818 30.199 1.00 8.87 N ATOM 451 CA ARG A 86 15.261 20.952 29.562 1.00 11.11 C ATOM 452 C ARG A 86 16.346 21.966 29.266 1.00 11.12 C ATOM 453 O ARG A 86 17.038 22.414 30.178 1.00 12.31 O ATOM 454 CB ARG A 86 14.224 21.591 30.489 1.00 9.51 C ATOM 455 CG ARG A 86 13.121 20.654 30.941 1.00 11.07 C ATOM 456 CD ARG A 86 12.055 21.418 31.702 1.00 10.14 C ATOM 457 NE ARG A 86 11.188 20.524 32.460 1.00 8.43 N ATOM 458 CZ ARG A 86 10.385 20.925 33.440 1.00 10.81 C ATOM 459 NH1 ARG A 86 10.335 22.208 33.780 1.00 7.66 N ATOM 460 NH2 ARG A 86 9.639 20.043 34.088 1.00 10.09 N ATOM 0 H ARG A 86 16.396 20.025 30.886 1.00 8.87 H new ATOM 0 HA ARG A 86 14.796 20.659 28.762 1.00 11.11 H new ATOM 0 HB2 ARG A 86 14.678 21.939 31.272 1.00 9.51 H new ATOM 0 HB3 ARG A 86 13.823 22.348 30.034 1.00 9.51 H new ATOM 0 HG2 ARG A 86 12.725 20.216 30.171 1.00 11.07 H new ATOM 0 HG3 ARG A 86 13.492 19.957 31.505 1.00 11.07 H new ATOM 0 HD2 ARG A 86 12.478 22.048 32.306 1.00 10.14 H new ATOM 0 HD3 ARG A 86 11.521 21.936 31.079 1.00 10.14 H new ATOM 0 HE ARG A 86 11.197 19.687 32.261 1.00 8.43 H new ATOM 0 HH11 ARG A 86 10.823 22.782 33.366 1.00 7.66 H new ATOM 0 HH12 ARG A 86 9.814 22.465 34.415 1.00 7.66 H new ATOM 0 HH21 ARG A 86 9.674 19.211 33.875 1.00 10.09 H new ATOM 0 HH22 ARG A 86 9.119 20.303 34.722 1.00 10.09 H new ATOM 461 N ASN A 87 16.505 22.325 27.997 1.00 11.79 N ATOM 462 CA ASN A 87 17.525 23.294 27.620 1.00 13.25 C ATOM 463 C ASN A 87 16.940 24.663 27.305 1.00 13.85 C ATOM 464 O ASN A 87 15.819 24.774 26.810 1.00 15.18 O ATOM 465 CB ASN A 87 18.301 22.814 26.394 1.00 14.27 C ATOM 466 CG ASN A 87 19.443 23.747 26.031 1.00 16.37 C ATOM 467 OD1 ASN A 87 20.517 23.691 26.629 1.00 17.43 O ATOM 468 ND2 ASN A 87 19.209 24.626 25.060 1.00 16.24 N ATOM 0 H ASN A 87 16.036 22.021 27.343 1.00 11.79 H new ATOM 0 HA ASN A 87 18.114 23.375 28.386 1.00 13.25 H new ATOM 0 HB2 ASN A 87 18.653 21.926 26.564 1.00 14.27 H new ATOM 0 HB3 ASN A 87 17.696 22.739 25.640 1.00 14.27 H new ATOM 0 HD21 ASN A 87 19.821 25.184 24.829 1.00 16.24 H new ATOM 0 HD22 ASN A 87 18.446 24.636 24.664 1.00 16.24 H new ATOM 469 N LYS A 88 17.714 25.701 27.600 1.00 13.41 N ATOM 470 CA LYS A 88 17.322 27.076 27.326 1.00 14.44 C ATOM 471 C LYS A 88 18.553 27.800 26.799 1.00 15.03 C ATOM 472 O LYS A 88 19.639 27.679 27.372 1.00 15.75 O ATOM 473 CB LYS A 88 16.824 27.767 28.596 1.00 15.76 C ATOM 474 CG LYS A 88 15.417 27.371 29.021 1.00 17.42 C ATOM 475 CD LYS A 88 14.389 27.801 27.985 1.00 18.35 C ATOM 476 CE LYS A 88 12.975 27.516 28.464 1.00 22.74 C ATOM 477 NZ LYS A 88 11.952 27.854 27.431 1.00 24.21 N ATOM 0 H LYS A 88 18.488 25.626 27.968 1.00 13.41 H new ATOM 0 HA LYS A 88 16.599 27.092 26.680 1.00 14.44 H new ATOM 0 HB2 LYS A 88 17.437 27.567 29.321 1.00 15.76 H new ATOM 0 HB3 LYS A 88 16.850 28.727 28.460 1.00 15.76 H new ATOM 0 HG2 LYS A 88 15.372 26.410 29.146 1.00 17.42 H new ATOM 0 HG3 LYS A 88 15.208 27.778 29.876 1.00 17.42 H new ATOM 0 HD2 LYS A 88 14.487 28.749 27.802 1.00 18.35 H new ATOM 0 HD3 LYS A 88 14.551 27.333 27.151 1.00 18.35 H new ATOM 0 HE2 LYS A 88 12.898 26.578 28.699 1.00 22.74 H new ATOM 0 HE3 LYS A 88 12.799 28.026 29.270 1.00 22.74 H new ATOM 0 HZ1 LYS A 88 11.140 27.674 27.747 1.00 24.21 H new ATOM 0 HZ2 LYS A 88 12.007 28.719 27.231 1.00 24.21 H new ATOM 0 HZ3 LYS A 88 12.098 27.370 26.698 1.00 24.21 H new ATOM 478 N ASN A 89 18.389 28.550 25.715 1.00 13.25 N ATOM 479 CA ASN A 89 19.508 29.279 25.127 1.00 14.68 C ATOM 480 C ASN A 89 19.365 30.791 25.223 1.00 13.89 C ATOM 481 O ASN A 89 18.263 31.333 25.111 1.00 11.57 O ATOM 482 CB ASN A 89 19.668 28.927 23.645 1.00 16.41 C ATOM 483 CG ASN A 89 19.953 27.467 23.414 1.00 17.90 C ATOM 484 OD1 ASN A 89 20.865 26.894 24.010 1.00 17.12 O ATOM 485 ND2 ASN A 89 19.179 26.853 22.526 1.00 19.86 N ATOM 0 H ASN A 89 17.640 28.650 25.305 1.00 13.25 H new ATOM 0 HA ASN A 89 20.284 29.008 25.642 1.00 14.68 H new ATOM 0 HB2 ASN A 89 18.858 29.172 23.170 1.00 16.41 H new ATOM 0 HB3 ASN A 89 20.389 29.456 23.268 1.00 16.41 H new ATOM 0 HD21 ASN A 89 19.306 26.021 22.347 1.00 19.86 H new ATOM 0 HD22 ASN A 89 18.551 27.287 22.130 1.00 19.86 H new ATOM 486 N ASP A 90 20.495 31.461 25.421 1.00 13.32 N ATOM 487 CA ASP A 90 20.542 32.918 25.479 1.00 12.40 C ATOM 488 C ASP A 90 19.403 33.556 26.271 1.00 11.81 C ATOM 489 O ASP A 90 18.518 34.191 25.696 1.00 11.41 O ATOM 490 CB ASP A 90 20.543 33.465 24.046 1.00 11.55 C ATOM 491 CG ASP A 90 21.736 32.978 23.235 1.00 12.84 C ATOM 492 OD1 ASP A 90 21.672 33.031 21.989 1.00 13.51 O ATOM 493 OD2 ASP A 90 22.743 32.550 23.841 1.00 10.47 O ATOM 0 H ASP A 90 21.260 31.082 25.526 1.00 13.32 H new ATOM 0 HA ASP A 90 21.354 33.152 25.955 1.00 12.40 H new ATOM 0 HB2 ASP A 90 19.723 33.199 23.601 1.00 11.55 H new ATOM 0 HB3 ASP A 90 20.549 34.435 24.073 1.00 11.55 H new ATOM 494 N LEU A 91 19.430 33.396 27.591 1.00 11.63 N ATOM 495 CA LEU A 91 18.397 33.974 28.445 1.00 11.76 C ATOM 496 C LEU A 91 18.881 35.258 29.105 1.00 12.41 C ATOM 497 O LEU A 91 20.039 35.358 29.512 1.00 12.63 O ATOM 498 CB LEU A 91 17.987 32.991 29.549 1.00 11.37 C ATOM 499 CG LEU A 91 17.322 31.668 29.157 1.00 12.63 C ATOM 500 CD1 LEU A 91 16.908 30.925 30.423 1.00 12.12 C ATOM 501 CD2 LEU A 91 16.107 31.933 28.286 1.00 11.57 C ATOM 0 H LEU A 91 20.038 32.956 28.012 1.00 11.63 H new ATOM 0 HA LEU A 91 17.636 34.168 27.875 1.00 11.76 H new ATOM 0 HB2 LEU A 91 18.783 32.778 30.062 1.00 11.37 H new ATOM 0 HB3 LEU A 91 17.381 33.457 30.146 1.00 11.37 H new ATOM 0 HG LEU A 91 17.949 31.126 28.653 1.00 12.63 H new ATOM 0 HD11 LEU A 91 16.486 30.086 30.182 1.00 12.12 H new ATOM 0 HD12 LEU A 91 17.692 30.748 30.966 1.00 12.12 H new ATOM 0 HD13 LEU A 91 16.282 31.468 30.927 1.00 12.12 H new ATOM 0 HD21 LEU A 91 15.693 31.090 28.043 1.00 11.57 H new ATOM 0 HD22 LEU A 91 15.470 32.477 28.776 1.00 11.57 H new ATOM 0 HD23 LEU A 91 16.381 32.402 27.482 1.00 11.57 H new ATOM 502 N THR A 92 17.989 36.238 29.212 1.00 12.18 N ATOM 503 CA THR A 92 18.330 37.496 29.861 1.00 11.71 C ATOM 504 C THR A 92 18.344 37.218 31.359 1.00 11.63 C ATOM 505 O THR A 92 17.932 36.142 31.801 1.00 11.15 O ATOM 506 CB THR A 92 17.274 38.582 29.588 1.00 12.29 C ATOM 507 OG1 THR A 92 16.003 38.145 30.091 1.00 9.72 O ATOM 508 CG2 THR A 92 17.162 38.853 28.098 1.00 10.83 C ATOM 0 H THR A 92 17.183 36.193 28.916 1.00 12.18 H new ATOM 0 HA THR A 92 19.182 37.815 29.524 1.00 11.71 H new ATOM 0 HB THR A 92 17.543 39.400 30.034 1.00 12.29 H new ATOM 0 HG1 THR A 92 15.402 38.672 29.831 1.00 9.72 H new ATOM 0 HG21 THR A 92 16.494 39.539 27.943 1.00 10.83 H new ATOM 0 HG22 THR A 92 18.019 39.155 27.759 1.00 10.83 H new ATOM 0 HG23 THR A 92 16.902 38.039 27.639 1.00 10.83 H new ATOM 509 N ARG A 93 18.814 38.181 32.142 1.00 10.57 N ATOM 510 CA ARG A 93 18.848 38.011 33.587 1.00 13.77 C ATOM 511 C ARG A 93 17.430 37.807 34.127 1.00 13.41 C ATOM 512 O ARG A 93 17.227 37.032 35.060 1.00 13.56 O ATOM 513 CB ARG A 93 19.506 39.227 34.250 1.00 14.03 C ATOM 514 CG ARG A 93 18.810 40.545 33.974 1.00 19.50 C ATOM 515 CD ARG A 93 19.663 41.728 34.408 1.00 22.77 C ATOM 516 NE ARG A 93 20.151 41.578 35.775 1.00 28.01 N ATOM 517 CZ ARG A 93 20.625 42.578 36.512 1.00 30.81 C ATOM 518 NH1 ARG A 93 20.671 43.806 36.012 1.00 33.20 N ATOM 519 NH2 ARG A 93 21.053 42.351 37.748 1.00 30.20 N ATOM 0 H ARG A 93 19.116 38.935 31.859 1.00 10.57 H new ATOM 0 HA ARG A 93 19.375 37.224 33.797 1.00 13.77 H new ATOM 0 HB2 ARG A 93 19.534 39.083 35.209 1.00 14.03 H new ATOM 0 HB3 ARG A 93 20.425 39.289 33.946 1.00 14.03 H new ATOM 0 HG2 ARG A 93 18.614 40.616 33.027 1.00 19.50 H new ATOM 0 HG3 ARG A 93 17.961 40.568 34.442 1.00 19.50 H new ATOM 0 HD2 ARG A 93 20.417 41.821 33.805 1.00 22.77 H new ATOM 0 HD3 ARG A 93 19.142 42.544 34.339 1.00 22.77 H new ATOM 0 HE ARG A 93 20.131 40.793 36.126 1.00 28.01 H new ATOM 0 HH11 ARG A 93 20.394 43.955 35.211 1.00 33.20 H new ATOM 0 HH12 ARG A 93 20.978 44.453 36.488 1.00 33.20 H new ATOM 0 HH21 ARG A 93 21.024 41.556 38.074 1.00 30.20 H new ATOM 0 HH22 ARG A 93 21.359 42.999 38.223 1.00 30.20 H new ATOM 520 N GLU A 94 16.450 38.486 33.532 1.00 13.30 N ATOM 521 CA GLU A 94 15.059 38.353 33.969 1.00 13.61 C ATOM 522 C GLU A 94 14.517 36.950 33.693 1.00 13.86 C ATOM 523 O GLU A 94 13.843 36.352 34.536 1.00 12.41 O ATOM 524 CB GLU A 94 14.154 39.367 33.256 1.00 15.60 C ATOM 525 CG GLU A 94 14.402 40.835 33.590 1.00 18.64 C ATOM 526 CD GLU A 94 15.689 41.370 32.993 1.00 20.05 C ATOM 527 OE1 GLU A 94 16.120 40.862 31.938 1.00 18.20 O ATOM 528 OE2 GLU A 94 16.262 42.316 33.571 1.00 24.13 O ATOM 0 H GLU A 94 16.568 39.028 32.875 1.00 13.30 H new ATOM 0 HA GLU A 94 15.053 38.521 34.924 1.00 13.61 H new ATOM 0 HB2 GLU A 94 14.258 39.249 32.299 1.00 15.60 H new ATOM 0 HB3 GLU A 94 13.231 39.156 33.469 1.00 15.60 H new ATOM 0 HG2 GLU A 94 13.657 41.365 33.267 1.00 18.64 H new ATOM 0 HG3 GLU A 94 14.430 40.942 34.554 1.00 18.64 H new ATOM 529 N GLU A 95 14.805 36.436 32.503 1.00 12.38 N ATOM 530 CA GLU A 95 14.340 35.111 32.111 1.00 12.65 C ATOM 531 C GLU A 95 14.968 34.009 32.955 1.00 13.11 C ATOM 532 O GLU A 95 14.324 32.999 33.249 1.00 12.78 O ATOM 533 CB GLU A 95 14.637 34.875 30.630 1.00 12.28 C ATOM 534 CG GLU A 95 13.914 35.849 29.712 1.00 15.96 C ATOM 535 CD GLU A 95 14.321 35.693 28.263 1.00 16.53 C ATOM 536 OE1 GLU A 95 15.538 35.626 27.995 1.00 16.46 O ATOM 537 OE2 GLU A 95 13.427 35.646 27.393 1.00 19.95 O ATOM 0 H GLU A 95 15.271 36.841 31.905 1.00 12.38 H new ATOM 0 HA GLU A 95 13.382 35.079 32.262 1.00 12.65 H new ATOM 0 HB2 GLU A 95 15.593 34.949 30.482 1.00 12.28 H new ATOM 0 HB3 GLU A 95 14.383 33.969 30.395 1.00 12.28 H new ATOM 0 HG2 GLU A 95 12.957 35.714 29.792 1.00 15.96 H new ATOM 0 HG3 GLU A 95 14.097 36.757 30.000 1.00 15.96 H new ATOM 538 N ILE A 96 16.227 34.198 33.341 1.00 12.83 N ATOM 539 CA ILE A 96 16.908 33.212 34.167 1.00 12.78 C ATOM 540 C ILE A 96 16.186 33.117 35.507 1.00 12.54 C ATOM 541 O ILE A 96 15.862 32.028 35.971 1.00 10.58 O ATOM 542 CB ILE A 96 18.385 33.596 34.397 1.00 12.13 C ATOM 543 CG1 ILE A 96 19.165 33.416 33.090 1.00 11.70 C ATOM 544 CG2 ILE A 96 18.975 32.758 35.530 1.00 12.37 C ATOM 545 CD1 ILE A 96 20.609 33.885 33.146 1.00 14.21 C ATOM 0 H ILE A 96 16.700 34.886 33.136 1.00 12.83 H new ATOM 0 HA ILE A 96 16.892 32.356 33.711 1.00 12.78 H new ATOM 0 HB ILE A 96 18.448 34.527 34.662 1.00 12.13 H new ATOM 0 HG12 ILE A 96 19.151 32.477 32.846 1.00 11.70 H new ATOM 0 HG13 ILE A 96 18.707 33.900 32.385 1.00 11.70 H new ATOM 0 HG21 ILE A 96 19.903 33.006 35.667 1.00 12.37 H new ATOM 0 HG22 ILE A 96 18.474 32.917 36.345 1.00 12.37 H new ATOM 0 HG23 ILE A 96 18.923 31.818 35.298 1.00 12.37 H new ATOM 0 HD11 ILE A 96 21.031 33.738 32.285 1.00 14.21 H new ATOM 0 HD12 ILE A 96 20.634 34.831 33.360 1.00 14.21 H new ATOM 0 HD13 ILE A 96 21.085 33.386 33.828 1.00 14.21 H new ATOM 546 N VAL A 97 15.926 34.268 36.115 1.00 11.87 N ATOM 547 CA VAL A 97 15.232 34.312 37.393 1.00 12.59 C ATOM 548 C VAL A 97 13.817 33.741 37.285 1.00 12.98 C ATOM 549 O VAL A 97 13.374 33.001 38.161 1.00 13.70 O ATOM 550 CB VAL A 97 15.159 35.758 37.930 1.00 13.86 C ATOM 551 CG1 VAL A 97 14.258 35.819 39.158 1.00 12.78 C ATOM 552 CG2 VAL A 97 16.564 36.244 38.278 1.00 15.16 C ATOM 0 H VAL A 97 16.145 35.038 35.801 1.00 11.87 H new ATOM 0 HA VAL A 97 15.741 33.764 38.011 1.00 12.59 H new ATOM 0 HB VAL A 97 14.784 36.334 37.246 1.00 13.86 H new ATOM 0 HG11 VAL A 97 14.220 36.731 39.486 1.00 12.78 H new ATOM 0 HG12 VAL A 97 13.365 35.524 38.920 1.00 12.78 H new ATOM 0 HG13 VAL A 97 14.615 35.241 39.851 1.00 12.78 H new ATOM 0 HG21 VAL A 97 16.518 37.152 38.615 1.00 15.16 H new ATOM 0 HG22 VAL A 97 16.948 35.667 38.956 1.00 15.16 H new ATOM 0 HG23 VAL A 97 17.120 36.222 37.484 1.00 15.16 H new ATOM 553 N GLU A 98 13.111 34.089 36.214 1.00 13.08 N ATOM 554 CA GLU A 98 11.752 33.597 36.006 1.00 13.43 C ATOM 555 C GLU A 98 11.751 32.079 35.822 1.00 12.05 C ATOM 556 O GLU A 98 10.913 31.373 36.389 1.00 10.37 O ATOM 557 CB GLU A 98 11.130 34.250 34.771 1.00 17.10 C ATOM 558 CG GLU A 98 9.635 33.991 34.631 1.00 20.92 C ATOM 559 CD GLU A 98 9.117 34.262 33.231 1.00 25.26 C ATOM 560 OE1 GLU A 98 7.887 34.426 33.080 1.00 27.99 O ATOM 561 OE2 GLU A 98 9.931 34.296 32.281 1.00 25.75 O ATOM 0 H GLU A 98 13.401 34.610 35.594 1.00 13.08 H new ATOM 0 HA GLU A 98 11.229 33.826 36.791 1.00 13.43 H new ATOM 0 HB2 GLU A 98 11.282 35.207 34.809 1.00 17.10 H new ATOM 0 HB3 GLU A 98 11.583 33.922 33.978 1.00 17.10 H new ATOM 0 HG2 GLU A 98 9.448 33.069 34.867 1.00 20.92 H new ATOM 0 HG3 GLU A 98 9.154 34.549 35.262 1.00 20.92 H new ATOM 562 N LEU A 99 12.689 31.585 35.020 1.00 12.57 N ATOM 563 CA LEU A 99 12.800 30.154 34.764 1.00 11.19 C ATOM 564 C LEU A 99 13.021 29.391 36.067 1.00 12.37 C ATOM 565 O LEU A 99 12.319 28.418 36.356 1.00 11.65 O ATOM 566 CB LEU A 99 13.959 29.877 33.797 1.00 11.69 C ATOM 567 CG LEU A 99 14.322 28.409 33.546 1.00 10.12 C ATOM 568 CD1 LEU A 99 13.128 27.681 32.960 1.00 10.79 C ATOM 569 CD2 LEU A 99 15.521 28.315 32.613 1.00 8.84 C ATOM 0 H LEU A 99 13.274 32.066 34.612 1.00 12.57 H new ATOM 0 HA LEU A 99 11.971 29.851 34.362 1.00 11.19 H new ATOM 0 HB2 LEU A 99 13.743 30.284 32.943 1.00 11.69 H new ATOM 0 HB3 LEU A 99 14.748 30.329 34.135 1.00 11.69 H new ATOM 0 HG LEU A 99 14.560 27.990 34.388 1.00 10.12 H new ATOM 0 HD11 LEU A 99 13.360 26.753 32.802 1.00 10.79 H new ATOM 0 HD12 LEU A 99 12.384 27.727 33.581 1.00 10.79 H new ATOM 0 HD13 LEU A 99 12.874 28.097 32.121 1.00 10.79 H new ATOM 0 HD21 LEU A 99 15.741 27.383 32.462 1.00 8.84 H new ATOM 0 HD22 LEU A 99 15.307 28.738 31.767 1.00 8.84 H new ATOM 0 HD23 LEU A 99 16.280 28.765 33.015 1.00 8.84 H new ATOM 570 N MET A 100 13.995 29.840 36.855 1.00 13.12 N ATOM 571 CA MET A 100 14.309 29.189 38.119 1.00 13.80 C ATOM 572 C MET A 100 13.141 29.254 39.095 1.00 13.93 C ATOM 573 O MET A 100 12.833 28.269 39.771 1.00 12.64 O ATOM 574 CB MET A 100 15.553 29.822 38.746 1.00 15.88 C ATOM 575 CG MET A 100 16.824 29.592 37.945 1.00 19.03 C ATOM 576 SD MET A 100 17.201 27.834 37.726 1.00 26.56 S ATOM 577 CE MET A 100 16.616 27.573 36.119 1.00 16.36 C ATOM 0 H MET A 100 14.486 30.522 36.673 1.00 13.12 H new ATOM 0 HA MET A 100 14.484 28.254 37.930 1.00 13.80 H new ATOM 0 HB2 MET A 100 15.408 30.776 38.841 1.00 15.88 H new ATOM 0 HB3 MET A 100 15.674 29.463 39.639 1.00 15.88 H new ATOM 0 HG2 MET A 100 16.734 30.011 37.075 1.00 19.03 H new ATOM 0 HG3 MET A 100 17.567 30.025 38.393 1.00 19.03 H new ATOM 0 HE1 MET A 100 15.829 27.006 36.149 1.00 16.36 H new ATOM 0 HE2 MET A 100 16.385 28.425 35.716 1.00 16.36 H new ATOM 0 HE3 MET A 100 17.305 27.141 35.590 1.00 16.36 H new ATOM 578 N ARG A 101 12.492 30.411 39.170 1.00 13.03 N ATOM 579 CA ARG A 101 11.351 30.567 40.062 1.00 14.47 C ATOM 580 C ARG A 101 10.257 29.578 39.653 1.00 13.37 C ATOM 581 O ARG A 101 9.735 28.837 40.486 1.00 12.32 O ATOM 582 CB ARG A 101 10.829 32.003 39.994 1.00 16.75 C ATOM 583 CG ARG A 101 9.657 32.315 40.917 1.00 21.70 C ATOM 584 CD ARG A 101 9.547 33.821 41.101 1.00 25.67 C ATOM 585 NE ARG A 101 9.651 34.507 39.815 1.00 31.98 N ATOM 586 CZ ARG A 101 10.103 35.747 39.657 1.00 32.30 C ATOM 587 NH1 ARG A 101 10.498 36.451 40.708 1.00 31.97 N ATOM 588 NH2 ARG A 101 10.168 36.278 38.441 1.00 33.57 N ATOM 0 H ARG A 101 12.695 31.113 38.716 1.00 13.03 H new ATOM 0 HA ARG A 101 11.621 30.384 40.976 1.00 14.47 H new ATOM 0 HB2 ARG A 101 11.558 32.607 40.206 1.00 16.75 H new ATOM 0 HB3 ARG A 101 10.561 32.191 39.081 1.00 16.75 H new ATOM 0 HG2 ARG A 101 8.834 31.964 40.542 1.00 21.70 H new ATOM 0 HG3 ARG A 101 9.784 31.882 41.776 1.00 21.70 H new ATOM 0 HD2 ARG A 101 8.701 34.039 41.522 1.00 25.67 H new ATOM 0 HD3 ARG A 101 10.248 34.131 41.696 1.00 25.67 H new ATOM 0 HE ARG A 101 9.403 34.079 39.112 1.00 31.98 H new ATOM 0 HH11 ARG A 101 10.462 36.106 41.495 1.00 31.97 H new ATOM 0 HH12 ARG A 101 10.790 37.253 40.603 1.00 31.97 H new ATOM 0 HH21 ARG A 101 9.918 35.820 37.758 1.00 33.57 H new ATOM 0 HH22 ARG A 101 10.460 37.080 38.337 1.00 33.57 H new ATOM 589 N ASP A 102 9.933 29.553 38.362 1.00 12.78 N ATOM 590 CA ASP A 102 8.905 28.651 37.848 1.00 12.22 C ATOM 591 C ASP A 102 9.214 27.184 38.157 1.00 12.58 C ATOM 592 O ASP A 102 8.354 26.444 38.638 1.00 10.87 O ATOM 593 CB ASP A 102 8.752 28.835 36.337 1.00 13.29 C ATOM 594 CG ASP A 102 8.044 30.125 35.976 1.00 16.97 C ATOM 595 OD1 ASP A 102 7.983 30.452 34.774 1.00 18.12 O ATOM 596 OD2 ASP A 102 7.542 30.808 36.893 1.00 18.88 O ATOM 0 H ASP A 102 10.298 30.053 37.765 1.00 12.78 H new ATOM 0 HA ASP A 102 8.075 28.878 38.295 1.00 12.22 H new ATOM 0 HB2 ASP A 102 9.629 28.825 35.923 1.00 13.29 H new ATOM 0 HB3 ASP A 102 8.257 28.085 35.972 1.00 13.29 H new ATOM 597 N VAL A 103 10.446 26.773 37.877 1.00 10.64 N ATOM 598 CA VAL A 103 10.874 25.402 38.119 1.00 11.60 C ATOM 599 C VAL A 103 10.814 25.028 39.603 1.00 12.17 C ATOM 600 O VAL A 103 10.427 23.914 39.949 1.00 11.77 O ATOM 601 CB VAL A 103 12.311 25.175 37.587 1.00 12.18 C ATOM 602 CG1 VAL A 103 12.859 23.847 38.090 1.00 13.13 C ATOM 603 CG2 VAL A 103 12.303 25.191 36.055 1.00 11.69 C ATOM 0 H VAL A 103 11.055 27.280 37.542 1.00 10.64 H new ATOM 0 HA VAL A 103 10.255 24.829 37.641 1.00 11.60 H new ATOM 0 HB VAL A 103 12.882 25.888 37.912 1.00 12.18 H new ATOM 0 HG11 VAL A 103 13.758 23.718 37.750 1.00 13.13 H new ATOM 0 HG12 VAL A 103 12.878 23.851 39.060 1.00 13.13 H new ATOM 0 HG13 VAL A 103 12.290 23.124 37.781 1.00 13.13 H new ATOM 0 HG21 VAL A 103 13.204 25.049 35.725 1.00 11.69 H new ATOM 0 HG22 VAL A 103 11.724 24.486 35.727 1.00 11.69 H new ATOM 0 HG23 VAL A 103 11.976 26.049 35.742 1.00 11.69 H new ATOM 604 N SER A 104 11.189 25.958 40.475 1.00 13.20 N ATOM 605 CA SER A 104 11.167 25.696 41.913 1.00 14.14 C ATOM 606 C SER A 104 9.739 25.573 42.432 1.00 15.01 C ATOM 607 O SER A 104 9.504 25.000 43.498 1.00 15.17 O ATOM 608 CB SER A 104 11.891 26.812 42.677 1.00 14.07 C ATOM 609 OG SER A 104 11.152 28.024 42.658 1.00 13.49 O ATOM 0 H SER A 104 11.459 26.745 40.257 1.00 13.20 H new ATOM 0 HA SER A 104 11.625 24.854 42.061 1.00 14.14 H new ATOM 0 HB2 SER A 104 12.036 26.535 43.595 1.00 14.07 H new ATOM 0 HB3 SER A 104 12.765 26.959 42.284 1.00 14.07 H new ATOM 0 HG SER A 104 10.780 28.114 41.910 1.00 13.49 H new ATOM 610 N LYS A 105 8.787 26.115 41.679 1.00 16.36 N ATOM 611 CA LYS A 105 7.387 26.060 42.082 1.00 17.78 C ATOM 612 C LYS A 105 6.670 24.817 41.568 1.00 17.16 C ATOM 613 O LYS A 105 5.487 24.618 41.839 1.00 17.17 O ATOM 614 CB LYS A 105 6.653 27.322 41.625 1.00 20.70 C ATOM 615 CG LYS A 105 7.021 28.559 42.426 1.00 23.81 C ATOM 616 CD LYS A 105 6.233 29.770 41.962 1.00 29.19 C ATOM 617 CE LYS A 105 6.555 31.001 42.797 1.00 31.71 C ATOM 618 NZ LYS A 105 5.902 32.225 42.244 1.00 34.78 N ATOM 0 H LYS A 105 8.931 26.518 40.933 1.00 16.36 H new ATOM 0 HA LYS A 105 7.376 26.010 43.051 1.00 17.78 H new ATOM 0 HB2 LYS A 105 6.850 27.481 40.689 1.00 20.70 H new ATOM 0 HB3 LYS A 105 5.697 27.174 41.693 1.00 20.70 H new ATOM 0 HG2 LYS A 105 6.850 28.400 43.367 1.00 23.81 H new ATOM 0 HG3 LYS A 105 7.971 28.735 42.336 1.00 23.81 H new ATOM 0 HD2 LYS A 105 6.433 29.949 41.030 1.00 29.19 H new ATOM 0 HD3 LYS A 105 5.283 29.580 42.017 1.00 29.19 H new ATOM 0 HE2 LYS A 105 6.260 30.860 43.710 1.00 31.71 H new ATOM 0 HE3 LYS A 105 7.516 31.131 42.826 1.00 31.71 H new ATOM 0 HZ1 LYS A 105 6.108 32.927 42.752 1.00 34.78 H new ATOM 0 HZ2 LYS A 105 6.189 32.366 41.414 1.00 34.78 H new ATOM 0 HZ3 LYS A 105 5.019 32.113 42.237 1.00 34.78 H new ATOM 619 N GLU A 106 7.388 23.986 40.821 1.00 14.37 N ATOM 620 CA GLU A 106 6.819 22.747 40.312 1.00 14.51 C ATOM 621 C GLU A 106 6.767 21.746 41.458 1.00 13.99 C ATOM 622 O GLU A 106 7.437 21.929 42.476 1.00 14.02 O ATOM 623 CB GLU A 106 7.687 22.178 39.188 1.00 14.29 C ATOM 624 CG GLU A 106 7.374 22.740 37.813 1.00 14.45 C ATOM 625 CD GLU A 106 8.281 22.172 36.740 1.00 14.50 C ATOM 626 OE1 GLU A 106 8.613 20.968 36.808 1.00 16.11 O ATOM 627 OE2 GLU A 106 8.653 22.926 35.821 1.00 16.01 O ATOM 0 H GLU A 106 8.207 24.122 40.598 1.00 14.37 H new ATOM 0 HA GLU A 106 5.932 22.918 39.959 1.00 14.51 H new ATOM 0 HB2 GLU A 106 8.619 22.353 39.393 1.00 14.29 H new ATOM 0 HB3 GLU A 106 7.577 21.214 39.165 1.00 14.29 H new ATOM 0 HG2 GLU A 106 6.450 22.546 37.589 1.00 14.45 H new ATOM 0 HG3 GLU A 106 7.464 23.706 37.832 1.00 14.45 H new ATOM 628 N ASP A 107 5.969 20.696 41.296 1.00 13.32 N ATOM 629 CA ASP A 107 5.865 19.666 42.320 1.00 13.65 C ATOM 630 C ASP A 107 6.926 18.614 42.024 1.00 11.75 C ATOM 631 O ASP A 107 6.792 17.839 41.077 1.00 13.22 O ATOM 632 CB ASP A 107 4.485 19.009 42.292 1.00 15.80 C ATOM 633 CG ASP A 107 4.248 18.108 43.492 1.00 18.90 C ATOM 634 OD1 ASP A 107 5.237 17.587 44.052 1.00 17.02 O ATOM 635 OD2 ASP A 107 3.072 17.913 43.869 1.00 21.52 O ATOM 0 H ASP A 107 5.480 20.562 40.601 1.00 13.32 H new ATOM 0 HA ASP A 107 5.994 20.061 43.196 1.00 13.65 H new ATOM 0 HB2 ASP A 107 3.802 19.698 42.268 1.00 15.80 H new ATOM 0 HB3 ASP A 107 4.393 18.490 41.478 1.00 15.80 H new ATOM 636 N HIS A 108 7.978 18.593 42.835 1.00 10.49 N ATOM 637 CA HIS A 108 9.075 17.645 42.660 1.00 10.29 C ATOM 638 C HIS A 108 8.891 16.399 43.532 1.00 10.69 C ATOM 639 O HIS A 108 9.835 15.638 43.740 1.00 10.79 O ATOM 640 CB HIS A 108 10.403 18.317 43.024 1.00 10.53 C ATOM 641 CG HIS A 108 10.732 19.515 42.185 1.00 10.64 C ATOM 642 ND1 HIS A 108 11.527 19.443 41.061 1.00 10.85 N ATOM 643 CD2 HIS A 108 10.377 20.816 42.312 1.00 11.11 C ATOM 644 CE1 HIS A 108 11.651 20.649 40.534 1.00 11.55 C ATOM 645 NE2 HIS A 108 10.963 21.500 41.274 1.00 9.35 N ATOM 0 H HIS A 108 8.077 19.127 43.502 1.00 10.49 H new ATOM 0 HA HIS A 108 9.080 17.370 41.730 1.00 10.29 H new ATOM 0 HB2 HIS A 108 10.374 18.585 43.956 1.00 10.53 H new ATOM 0 HB3 HIS A 108 11.118 17.667 42.937 1.00 10.53 H new ATOM 0 HD2 HIS A 108 9.838 21.179 42.977 1.00 11.11 H new ATOM 0 HE1 HIS A 108 12.140 20.862 39.772 1.00 11.55 H new ATOM 0 HE2 HIS A 108 10.893 22.345 41.130 1.00 9.35 H new ATOM 646 N SER A 109 7.677 16.189 44.030 1.00 11.77 N ATOM 647 CA SER A 109 7.378 15.047 44.898 1.00 14.02 C ATOM 648 C SER A 109 7.848 13.682 44.401 1.00 14.44 C ATOM 649 O SER A 109 8.368 12.881 45.179 1.00 15.24 O ATOM 650 CB SER A 109 5.872 14.965 45.173 1.00 16.29 C ATOM 651 OG SER A 109 5.460 15.949 46.105 1.00 17.52 O ATOM 0 H SER A 109 7.003 16.701 43.877 1.00 11.77 H new ATOM 0 HA SER A 109 7.890 15.230 45.701 1.00 14.02 H new ATOM 0 HB2 SER A 109 5.384 15.079 44.343 1.00 16.29 H new ATOM 0 HB3 SER A 109 5.651 14.084 45.513 1.00 16.29 H new ATOM 0 HG SER A 109 5.299 16.668 45.701 1.00 17.52 H new ATOM 652 N LYS A 110 7.661 13.414 43.114 1.00 12.92 N ATOM 653 CA LYS A 110 8.042 12.123 42.539 1.00 14.37 C ATOM 654 C LYS A 110 9.450 12.116 41.947 1.00 13.18 C ATOM 655 O LYS A 110 9.835 11.165 41.262 1.00 13.29 O ATOM 656 CB LYS A 110 7.046 11.731 41.442 1.00 17.79 C ATOM 657 CG LYS A 110 5.578 11.818 41.840 1.00 22.01 C ATOM 658 CD LYS A 110 5.205 10.768 42.871 1.00 28.46 C ATOM 659 CE LYS A 110 3.709 10.810 43.178 1.00 32.46 C ATOM 660 NZ LYS A 110 3.294 9.742 44.137 1.00 36.17 N ATOM 0 H LYS A 110 7.314 13.966 42.553 1.00 12.92 H new ATOM 0 HA LYS A 110 8.030 11.484 43.269 1.00 14.37 H new ATOM 0 HB2 LYS A 110 7.192 12.303 40.672 1.00 17.79 H new ATOM 0 HB3 LYS A 110 7.237 10.823 41.161 1.00 17.79 H new ATOM 0 HG2 LYS A 110 5.392 12.701 42.197 1.00 22.01 H new ATOM 0 HG3 LYS A 110 5.023 11.708 41.052 1.00 22.01 H new ATOM 0 HD2 LYS A 110 5.447 9.888 42.543 1.00 28.46 H new ATOM 0 HD3 LYS A 110 5.710 10.916 43.686 1.00 28.46 H new ATOM 0 HE2 LYS A 110 3.481 11.678 43.546 1.00 32.46 H new ATOM 0 HE3 LYS A 110 3.209 10.712 42.353 1.00 32.46 H new ATOM 0 HZ1 LYS A 110 2.419 9.802 44.288 1.00 36.17 H new ATOM 0 HZ2 LYS A 110 3.481 8.943 43.791 1.00 36.17 H new ATOM 0 HZ3 LYS A 110 3.734 9.844 44.904 1.00 36.17 H new ATOM 661 N ARG A 111 10.218 13.169 42.209 1.00 11.36 N ATOM 662 CA ARG A 111 11.572 13.277 41.671 1.00 9.64 C ATOM 663 C ARG A 111 12.632 13.089 42.754 1.00 8.98 C ATOM 664 O ARG A 111 12.510 13.635 43.849 1.00 8.35 O ATOM 665 CB ARG A 111 11.736 14.639 40.989 1.00 10.68 C ATOM 666 CG ARG A 111 10.748 14.861 39.842 1.00 9.68 C ATOM 667 CD ARG A 111 10.671 16.329 39.422 1.00 9.80 C ATOM 668 NE ARG A 111 9.703 16.530 38.344 1.00 10.34 N ATOM 669 CZ ARG A 111 9.226 17.713 37.970 1.00 11.82 C ATOM 670 NH1 ARG A 111 9.621 18.821 38.585 1.00 11.25 N ATOM 671 NH2 ARG A 111 8.349 17.789 36.978 1.00 13.45 N ATOM 0 H ARG A 111 9.974 13.834 42.697 1.00 11.36 H new ATOM 0 HA ARG A 111 11.701 12.567 41.022 1.00 9.64 H new ATOM 0 HB2 ARG A 111 11.620 15.341 41.649 1.00 10.68 H new ATOM 0 HB3 ARG A 111 12.641 14.717 40.648 1.00 10.68 H new ATOM 0 HG2 ARG A 111 11.013 14.322 39.080 1.00 9.68 H new ATOM 0 HG3 ARG A 111 9.867 14.557 40.112 1.00 9.68 H new ATOM 0 HD2 ARG A 111 10.423 16.872 40.186 1.00 9.80 H new ATOM 0 HD3 ARG A 111 11.546 16.630 39.132 1.00 9.80 H new ATOM 0 HE ARG A 111 9.423 15.834 37.923 1.00 10.34 H new ATOM 0 HH11 ARG A 111 10.189 18.776 39.229 1.00 11.25 H new ATOM 0 HH12 ARG A 111 9.309 19.584 38.339 1.00 11.25 H new ATOM 0 HH21 ARG A 111 8.090 17.073 36.578 1.00 13.45 H new ATOM 0 HH22 ARG A 111 8.040 18.554 36.735 1.00 13.45 H new ATOM 672 N SER A 112 13.673 12.323 42.434 1.00 9.24 N ATOM 673 CA SER A 112 14.749 12.033 43.381 1.00 9.19 C ATOM 674 C SER A 112 15.699 13.191 43.668 1.00 9.57 C ATOM 675 O SER A 112 16.255 13.288 44.769 1.00 8.97 O ATOM 676 CB SER A 112 15.580 10.845 42.884 1.00 9.15 C ATOM 677 OG SER A 112 14.787 9.686 42.699 1.00 9.29 O ATOM 0 H SER A 112 13.776 11.957 41.663 1.00 9.24 H new ATOM 0 HA SER A 112 14.292 11.839 44.214 1.00 9.19 H new ATOM 0 HB2 SER A 112 16.010 11.079 42.047 1.00 9.15 H new ATOM 0 HB3 SER A 112 16.286 10.655 43.522 1.00 9.15 H new ATOM 0 HG SER A 112 14.266 9.803 42.051 1.00 9.29 H new ATOM 678 N SER A 113 15.898 14.061 42.683 1.00 8.40 N ATOM 679 CA SER A 113 16.821 15.173 42.846 1.00 7.92 C ATOM 680 C SER A 113 16.548 16.303 41.867 1.00 8.39 C ATOM 681 O SER A 113 15.562 16.280 41.132 1.00 8.30 O ATOM 682 CB SER A 113 18.252 14.675 42.633 1.00 8.20 C ATOM 683 OG SER A 113 18.401 14.127 41.328 1.00 9.22 O ATOM 0 H SER A 113 15.509 14.024 41.917 1.00 8.40 H new ATOM 0 HA SER A 113 16.700 15.520 43.744 1.00 7.92 H new ATOM 0 HB2 SER A 113 18.876 15.407 42.755 1.00 8.20 H new ATOM 0 HB3 SER A 113 18.469 14.003 43.298 1.00 8.20 H new ATOM 0 HG SER A 113 17.644 13.952 41.009 1.00 9.22 H new ATOM 684 N PHE A 114 17.437 17.291 41.865 1.00 8.55 N ATOM 685 CA PHE A 114 17.329 18.431 40.958 1.00 9.28 C ATOM 686 C PHE A 114 18.717 18.841 40.476 1.00 10.18 C ATOM 687 O PHE A 114 19.654 18.942 41.269 1.00 9.81 O ATOM 688 CB PHE A 114 16.671 19.632 41.644 1.00 8.29 C ATOM 689 CG PHE A 114 16.616 20.860 40.771 1.00 9.15 C ATOM 690 CD1 PHE A 114 15.778 20.904 39.663 1.00 8.52 C ATOM 691 CD2 PHE A 114 17.449 21.949 41.023 1.00 8.45 C ATOM 692 CE1 PHE A 114 15.771 22.011 38.812 1.00 8.96 C ATOM 693 CE2 PHE A 114 17.452 23.058 40.181 1.00 9.25 C ATOM 694 CZ PHE A 114 16.613 23.091 39.072 1.00 8.99 C ATOM 0 H PHE A 114 18.119 17.320 42.388 1.00 8.55 H new ATOM 0 HA PHE A 114 16.777 18.160 40.208 1.00 9.28 H new ATOM 0 HB2 PHE A 114 15.770 19.391 41.910 1.00 8.29 H new ATOM 0 HB3 PHE A 114 17.160 19.841 42.455 1.00 8.29 H new ATOM 0 HD1 PHE A 114 15.214 20.186 39.486 1.00 8.52 H new ATOM 0 HD2 PHE A 114 18.011 21.935 41.764 1.00 8.45 H new ATOM 0 HE1 PHE A 114 15.206 22.028 38.074 1.00 8.96 H new ATOM 0 HE2 PHE A 114 18.015 23.776 40.360 1.00 9.25 H new ATOM 0 HZ PHE A 114 16.614 23.830 38.507 1.00 8.99 H new ATOM 695 N VAL A 115 18.844 19.076 39.173 1.00 9.85 N ATOM 696 CA VAL A 115 20.117 19.485 38.596 1.00 9.15 C ATOM 697 C VAL A 115 19.948 20.713 37.713 1.00 9.39 C ATOM 698 O VAL A 115 18.997 20.812 36.933 1.00 8.03 O ATOM 699 CB VAL A 115 20.752 18.363 37.736 1.00 9.93 C ATOM 700 CG1 VAL A 115 22.007 18.882 37.045 1.00 9.81 C ATOM 701 CG2 VAL A 115 21.101 17.167 38.606 1.00 10.67 C ATOM 0 H VAL A 115 18.202 19.004 38.606 1.00 9.85 H new ATOM 0 HA VAL A 115 20.700 19.686 39.345 1.00 9.15 H new ATOM 0 HB VAL A 115 20.110 18.086 37.064 1.00 9.93 H new ATOM 0 HG11 VAL A 115 22.398 18.174 36.509 1.00 9.81 H new ATOM 0 HG12 VAL A 115 21.776 19.630 36.472 1.00 9.81 H new ATOM 0 HG13 VAL A 115 22.648 19.173 37.713 1.00 9.81 H new ATOM 0 HG21 VAL A 115 21.497 16.472 38.057 1.00 10.67 H new ATOM 0 HG22 VAL A 115 21.733 17.438 39.290 1.00 10.67 H new ATOM 0 HG23 VAL A 115 20.296 16.827 39.027 1.00 10.67 H new ATOM 702 N CYS A 116 20.881 21.646 37.846 1.00 9.00 N ATOM 703 CA CYS A 116 20.873 22.864 37.049 1.00 8.32 C ATOM 704 C CYS A 116 22.292 23.139 36.584 1.00 7.06 C ATOM 705 O CYS A 116 23.209 23.245 37.402 1.00 7.92 O ATOM 706 CB CYS A 116 20.374 24.057 37.874 1.00 9.40 C ATOM 707 SG CYS A 116 20.535 25.660 37.015 1.00 12.78 S ATOM 0 H CYS A 116 21.536 21.591 38.400 1.00 9.00 H new ATOM 0 HA CYS A 116 20.277 22.746 36.293 1.00 8.32 H new ATOM 0 HB2 CYS A 116 19.443 23.914 38.104 1.00 9.40 H new ATOM 0 HB3 CYS A 116 20.869 24.094 38.707 1.00 9.40 H new ATOM 0 HG CYS A 116 20.123 26.537 37.723 1.00 12.78 H new ATOM 708 N VAL A 117 22.478 23.241 35.273 1.00 6.05 N ATOM 709 CA VAL A 117 23.795 23.529 34.724 1.00 7.20 C ATOM 710 C VAL A 117 23.776 24.929 34.125 1.00 8.27 C ATOM 711 O VAL A 117 22.901 25.264 33.324 1.00 8.80 O ATOM 712 CB VAL A 117 24.190 22.515 33.638 1.00 8.65 C ATOM 713 CG1 VAL A 117 25.624 22.765 33.200 1.00 9.32 C ATOM 714 CG2 VAL A 117 24.033 21.090 34.171 1.00 7.69 C ATOM 0 H VAL A 117 21.856 23.147 34.686 1.00 6.05 H new ATOM 0 HA VAL A 117 24.448 23.468 35.439 1.00 7.20 H new ATOM 0 HB VAL A 117 23.606 22.623 32.871 1.00 8.65 H new ATOM 0 HG11 VAL A 117 25.870 22.124 32.515 1.00 9.32 H new ATOM 0 HG12 VAL A 117 25.702 23.664 32.844 1.00 9.32 H new ATOM 0 HG13 VAL A 117 26.217 22.667 33.961 1.00 9.32 H new ATOM 0 HG21 VAL A 117 24.284 20.457 33.481 1.00 7.69 H new ATOM 0 HG22 VAL A 117 24.606 20.969 34.944 1.00 7.69 H new ATOM 0 HG23 VAL A 117 23.109 20.940 34.427 1.00 7.69 H new ATOM 715 N LEU A 118 24.735 25.751 34.537 1.00 8.20 N ATOM 716 CA LEU A 118 24.836 27.125 34.057 1.00 7.26 C ATOM 717 C LEU A 118 26.097 27.296 33.219 1.00 7.48 C ATOM 718 O LEU A 118 27.204 27.056 33.703 1.00 5.25 O ATOM 719 CB LEU A 118 24.872 28.084 35.250 1.00 7.45 C ATOM 720 CG LEU A 118 23.644 28.031 36.163 1.00 7.92 C ATOM 721 CD1 LEU A 118 23.886 28.838 37.427 1.00 8.75 C ATOM 722 CD2 LEU A 118 22.438 28.563 35.405 1.00 7.81 C ATOM 0 H LEU A 118 25.345 25.529 35.102 1.00 8.20 H new ATOM 0 HA LEU A 118 24.064 27.326 33.506 1.00 7.26 H new ATOM 0 HB2 LEU A 118 25.661 27.889 35.780 1.00 7.45 H new ATOM 0 HB3 LEU A 118 24.971 28.989 34.916 1.00 7.45 H new ATOM 0 HG LEU A 118 23.475 27.113 36.426 1.00 7.92 H new ATOM 0 HD11 LEU A 118 23.100 28.795 37.994 1.00 8.75 H new ATOM 0 HD12 LEU A 118 24.648 28.473 37.903 1.00 8.75 H new ATOM 0 HD13 LEU A 118 24.064 29.762 37.192 1.00 8.75 H new ATOM 0 HD21 LEU A 118 21.656 28.532 35.978 1.00 7.81 H new ATOM 0 HD22 LEU A 118 22.604 29.480 35.134 1.00 7.81 H new ATOM 0 HD23 LEU A 118 22.283 28.017 34.618 1.00 7.81 H new ATOM 723 N LEU A 119 25.916 27.707 31.966 1.00 7.52 N ATOM 724 CA LEU A 119 27.019 27.914 31.029 1.00 7.83 C ATOM 725 C LEU A 119 26.989 29.375 30.572 1.00 9.79 C ATOM 726 O LEU A 119 26.117 29.767 29.794 1.00 9.46 O ATOM 727 CB LEU A 119 26.849 26.998 29.807 1.00 6.16 C ATOM 728 CG LEU A 119 26.492 25.518 30.027 1.00 8.09 C ATOM 729 CD1 LEU A 119 26.239 24.866 28.671 1.00 8.14 C ATOM 730 CD2 LEU A 119 27.613 24.789 30.768 1.00 5.95 C ATOM 0 H LEU A 119 25.142 27.875 31.632 1.00 7.52 H new ATOM 0 HA LEU A 119 27.863 27.708 31.461 1.00 7.83 H new ATOM 0 HB2 LEU A 119 26.160 27.385 29.245 1.00 6.16 H new ATOM 0 HB3 LEU A 119 27.677 27.027 29.302 1.00 6.16 H new ATOM 0 HG LEU A 119 25.693 25.460 30.574 1.00 8.09 H new ATOM 0 HD11 LEU A 119 26.013 23.931 28.798 1.00 8.14 H new ATOM 0 HD12 LEU A 119 25.505 25.318 28.226 1.00 8.14 H new ATOM 0 HD13 LEU A 119 27.038 24.933 28.125 1.00 8.14 H new ATOM 0 HD21 LEU A 119 27.366 23.860 30.895 1.00 5.95 H new ATOM 0 HD22 LEU A 119 28.430 24.838 30.248 1.00 5.95 H new ATOM 0 HD23 LEU A 119 27.755 25.206 31.632 1.00 5.95 H new ATOM 731 N SER A 120 27.942 30.178 31.036 1.00 9.64 N ATOM 732 CA SER A 120 27.958 31.588 30.662 1.00 11.18 C ATOM 733 C SER A 120 29.209 32.284 31.178 1.00 11.82 C ATOM 734 O SER A 120 30.093 31.646 31.746 1.00 11.05 O ATOM 735 CB SER A 120 26.723 32.279 31.253 1.00 11.00 C ATOM 736 OG SER A 120 26.596 33.612 30.795 1.00 12.32 O ATOM 0 H SER A 120 28.578 29.932 31.560 1.00 9.64 H new ATOM 0 HA SER A 120 27.952 31.646 29.694 1.00 11.18 H new ATOM 0 HB2 SER A 120 25.927 31.778 31.015 1.00 11.00 H new ATOM 0 HB3 SER A 120 26.782 32.274 32.221 1.00 11.00 H new ATOM 0 HG SER A 120 25.904 33.957 31.124 1.00 12.32 H new ATOM 737 N HIS A 121 29.283 33.593 30.959 1.00 11.63 N ATOM 738 CA HIS A 121 30.400 34.376 31.468 1.00 13.26 C ATOM 739 C HIS A 121 30.048 34.521 32.939 1.00 12.81 C ATOM 740 O HIS A 121 28.887 34.372 33.312 1.00 11.61 O ATOM 741 CB HIS A 121 30.447 35.778 30.844 1.00 14.23 C ATOM 742 CG HIS A 121 30.820 35.795 29.394 1.00 15.96 C ATOM 743 ND1 HIS A 121 31.976 35.219 28.915 1.00 17.95 N ATOM 744 CD2 HIS A 121 30.213 36.365 28.326 1.00 16.91 C ATOM 745 CE1 HIS A 121 32.068 35.435 27.615 1.00 18.46 C ATOM 746 NE2 HIS A 121 31.011 36.129 27.232 1.00 19.26 N ATOM 0 H HIS A 121 28.698 34.045 30.519 1.00 11.63 H new ATOM 0 HA HIS A 121 31.256 33.960 31.281 1.00 13.26 H new ATOM 0 HB2 HIS A 121 29.578 36.196 30.949 1.00 14.23 H new ATOM 0 HB3 HIS A 121 31.083 36.319 31.337 1.00 14.23 H new ATOM 0 HD2 HIS A 121 29.407 36.829 28.332 1.00 16.91 H new ATOM 0 HE1 HIS A 121 32.759 35.147 27.063 1.00 18.46 H new ATOM 0 HE2 HIS A 121 30.849 36.391 26.429 1.00 19.26 H new ATOM 747 N GLY A 122 31.035 34.813 33.775 1.00 13.35 N ATOM 748 CA GLY A 122 30.741 34.979 35.183 1.00 12.25 C ATOM 749 C GLY A 122 31.858 35.627 35.963 1.00 12.97 C ATOM 750 O GLY A 122 32.917 35.936 35.417 1.00 12.08 O ATOM 0 H GLY A 122 31.859 34.916 33.553 1.00 13.35 H new ATOM 0 HA2 GLY A 122 29.938 35.515 35.277 1.00 12.25 H new ATOM 0 HA3 GLY A 122 30.549 34.110 35.570 1.00 12.25 H new ATOM 751 N GLU A 123 31.590 35.853 37.245 1.00 13.27 N ATOM 752 CA GLU A 123 32.541 36.426 38.187 1.00 13.84 C ATOM 753 C GLU A 123 32.205 35.717 39.490 1.00 14.26 C ATOM 754 O GLU A 123 31.214 34.988 39.552 1.00 13.86 O ATOM 755 CB GLU A 123 32.331 37.933 38.347 1.00 16.66 C ATOM 756 CG GLU A 123 32.473 38.728 37.060 1.00 21.13 C ATOM 757 CD GLU A 123 32.585 40.219 37.316 1.00 24.82 C ATOM 758 OE1 GLU A 123 31.810 40.743 38.145 1.00 23.80 O ATOM 759 OE2 GLU A 123 33.445 40.866 36.680 1.00 29.02 O ATOM 0 H GLU A 123 30.828 35.672 37.600 1.00 13.27 H new ATOM 0 HA GLU A 123 33.461 36.312 37.901 1.00 13.84 H new ATOM 0 HB2 GLU A 123 31.446 38.088 38.714 1.00 16.66 H new ATOM 0 HB3 GLU A 123 32.970 38.270 38.995 1.00 16.66 H new ATOM 0 HG2 GLU A 123 33.259 38.424 36.579 1.00 21.13 H new ATOM 0 HG3 GLU A 123 31.707 38.556 36.490 1.00 21.13 H new ATOM 760 N GLU A 124 33.006 35.915 40.530 1.00 14.01 N ATOM 761 CA GLU A 124 32.725 35.237 41.791 1.00 13.33 C ATOM 762 C GLU A 124 31.287 35.503 42.240 1.00 13.09 C ATOM 763 O GLU A 124 30.868 36.656 42.348 1.00 9.80 O ATOM 764 CB GLU A 124 33.700 35.689 42.882 1.00 14.36 C ATOM 765 CG GLU A 124 33.620 34.848 44.152 1.00 13.24 C ATOM 766 CD GLU A 124 34.062 33.410 43.927 1.00 16.93 C ATOM 767 OE1 GLU A 124 35.276 33.181 43.749 1.00 15.29 O ATOM 768 OE2 GLU A 124 33.194 32.511 43.917 1.00 18.54 O ATOM 0 H GLU A 124 33.700 36.423 40.530 1.00 14.01 H new ATOM 0 HA GLU A 124 32.838 34.284 41.647 1.00 13.33 H new ATOM 0 HB2 GLU A 124 34.605 35.652 42.534 1.00 14.36 H new ATOM 0 HB3 GLU A 124 33.520 36.616 43.104 1.00 14.36 H new ATOM 0 HG2 GLU A 124 34.175 35.250 44.838 1.00 13.24 H new ATOM 0 HG3 GLU A 124 32.709 34.855 44.484 1.00 13.24 H new ATOM 769 N GLY A 125 30.542 34.424 42.477 1.00 11.78 N ATOM 770 CA GLY A 125 29.160 34.520 42.925 1.00 12.44 C ATOM 771 C GLY A 125 28.177 35.104 41.925 1.00 14.09 C ATOM 772 O GLY A 125 27.039 35.421 42.278 1.00 14.93 O ATOM 0 H GLY A 125 30.826 33.618 42.382 1.00 11.78 H new ATOM 0 HA2 GLY A 125 28.856 33.632 43.171 1.00 12.44 H new ATOM 0 HA3 GLY A 125 29.136 35.061 43.730 1.00 12.44 H new ATOM 773 N ILE A 126 28.597 35.222 40.670 1.00 13.69 N ATOM 774 CA ILE A 126 27.748 35.804 39.638 1.00 14.08 C ATOM 775 C ILE A 126 27.737 35.007 38.338 1.00 14.14 C ATOM 776 O ILE A 126 28.746 34.425 37.947 1.00 13.25 O ATOM 777 CB ILE A 126 28.218 37.242 39.304 1.00 16.47 C ATOM 778 CG1 ILE A 126 27.990 38.157 40.509 1.00 18.06 C ATOM 779 CG2 ILE A 126 27.503 37.761 38.068 1.00 14.61 C ATOM 780 CD1 ILE A 126 28.551 39.554 40.330 1.00 20.28 C ATOM 0 H ILE A 126 29.372 34.970 40.395 1.00 13.69 H new ATOM 0 HA ILE A 126 26.850 35.798 40.006 1.00 14.08 H new ATOM 0 HB ILE A 126 29.168 37.230 39.109 1.00 16.47 H new ATOM 0 HG12 ILE A 126 27.038 38.220 40.682 1.00 18.06 H new ATOM 0 HG13 ILE A 126 28.394 37.753 41.293 1.00 18.06 H new ATOM 0 HG21 ILE A 126 27.807 38.661 37.872 1.00 14.61 H new ATOM 0 HG22 ILE A 126 27.698 37.183 37.314 1.00 14.61 H new ATOM 0 HG23 ILE A 126 26.546 37.771 38.228 1.00 14.61 H new ATOM 0 HD11 ILE A 126 28.373 40.079 41.126 1.00 20.28 H new ATOM 0 HD12 ILE A 126 29.509 39.502 40.185 1.00 20.28 H new ATOM 0 HD13 ILE A 126 28.131 39.976 39.564 1.00 20.28 H new ATOM 781 N ILE A 127 26.580 34.987 37.682 1.00 13.88 N ATOM 782 CA ILE A 127 26.412 34.312 36.401 1.00 14.27 C ATOM 783 C ILE A 127 25.751 35.362 35.508 1.00 13.79 C ATOM 784 O ILE A 127 24.808 36.035 35.922 1.00 13.81 O ATOM 785 CB ILE A 127 25.502 33.059 36.519 1.00 15.20 C ATOM 786 CG1 ILE A 127 25.520 32.278 35.206 1.00 16.24 C ATOM 787 CG2 ILE A 127 24.077 33.460 36.852 1.00 16.85 C ATOM 788 CD1 ILE A 127 26.856 31.615 34.901 1.00 17.36 C ATOM 0 H ILE A 127 25.865 35.368 37.971 1.00 13.88 H new ATOM 0 HA ILE A 127 27.259 33.990 36.054 1.00 14.27 H new ATOM 0 HB ILE A 127 25.843 32.500 37.234 1.00 15.20 H new ATOM 0 HG12 ILE A 127 24.830 31.597 35.236 1.00 16.24 H new ATOM 0 HG13 ILE A 127 25.294 32.879 34.479 1.00 16.24 H new ATOM 0 HG21 ILE A 127 23.525 32.665 36.921 1.00 16.85 H new ATOM 0 HG22 ILE A 127 24.064 33.937 37.696 1.00 16.85 H new ATOM 0 HG23 ILE A 127 23.730 34.034 36.151 1.00 16.85 H new ATOM 0 HD11 ILE A 127 26.796 31.139 34.058 1.00 17.36 H new ATOM 0 HD12 ILE A 127 27.548 32.293 34.841 1.00 17.36 H new ATOM 0 HD13 ILE A 127 27.077 30.990 35.609 1.00 17.36 H new ATOM 789 N PHE A 128 26.245 35.515 34.288 1.00 13.73 N ATOM 790 CA PHE A 128 25.695 36.527 33.395 1.00 12.77 C ATOM 791 C PHE A 128 24.555 36.104 32.486 1.00 13.18 C ATOM 792 O PHE A 128 24.641 35.101 31.780 1.00 12.96 O ATOM 793 CB PHE A 128 26.809 37.119 32.526 1.00 13.88 C ATOM 794 CG PHE A 128 27.667 38.122 33.237 1.00 16.35 C ATOM 795 CD1 PHE A 128 27.258 39.449 33.356 1.00 17.32 C ATOM 796 CD2 PHE A 128 28.877 37.741 33.806 1.00 17.36 C ATOM 797 CE1 PHE A 128 28.045 40.383 34.033 1.00 17.29 C ATOM 798 CE2 PHE A 128 29.673 38.666 34.486 1.00 17.89 C ATOM 799 CZ PHE A 128 29.255 39.990 34.599 1.00 16.94 C ATOM 0 H PHE A 128 26.890 35.051 33.960 1.00 13.73 H new ATOM 0 HA PHE A 128 25.305 37.173 34.005 1.00 12.77 H new ATOM 0 HB2 PHE A 128 27.371 36.398 32.201 1.00 13.88 H new ATOM 0 HB3 PHE A 128 26.411 37.541 31.748 1.00 13.88 H new ATOM 0 HD1 PHE A 128 26.451 39.716 32.980 1.00 17.32 H new ATOM 0 HD2 PHE A 128 29.160 36.858 33.733 1.00 17.36 H new ATOM 0 HE1 PHE A 128 27.762 41.266 34.106 1.00 17.29 H new ATOM 0 HE2 PHE A 128 30.480 38.398 34.862 1.00 17.89 H new ATOM 0 HZ PHE A 128 29.782 40.609 35.051 1.00 16.94 H new ATOM 800 N GLY A 129 23.474 36.876 32.530 1.00 12.58 N ATOM 801 CA GLY A 129 22.360 36.632 31.639 1.00 12.15 C ATOM 802 C GLY A 129 22.828 37.351 30.382 1.00 12.81 C ATOM 803 O GLY A 129 23.927 37.914 30.383 1.00 12.94 O ATOM 0 H GLY A 129 23.371 37.540 33.066 1.00 12.58 H new ATOM 0 HA2 GLY A 129 22.213 35.685 31.487 1.00 12.15 H new ATOM 0 HA3 GLY A 129 21.529 36.997 31.982 1.00 12.15 H new ATOM 804 N THR A 130 22.029 37.359 29.320 1.00 12.50 N ATOM 805 CA THR A 130 22.441 38.022 28.085 1.00 13.64 C ATOM 806 C THR A 130 22.466 39.548 28.176 1.00 15.44 C ATOM 807 O THR A 130 23.062 40.216 27.329 1.00 17.32 O ATOM 808 CB THR A 130 21.525 37.626 26.911 1.00 13.08 C ATOM 809 OG1 THR A 130 20.174 37.997 27.210 1.00 12.87 O ATOM 810 CG2 THR A 130 21.596 36.122 26.665 1.00 11.85 C ATOM 0 H THR A 130 21.252 36.991 29.292 1.00 12.50 H new ATOM 0 HA THR A 130 23.350 37.718 27.934 1.00 13.64 H new ATOM 0 HB THR A 130 21.823 38.089 26.113 1.00 13.08 H new ATOM 0 HG1 THR A 130 19.654 37.629 26.662 1.00 12.87 H new ATOM 0 HG21 THR A 130 21.015 35.887 25.924 1.00 11.85 H new ATOM 0 HG22 THR A 130 22.509 35.871 26.452 1.00 11.85 H new ATOM 0 HG23 THR A 130 21.309 35.650 27.462 1.00 11.85 H new ATOM 811 N ASN A 131 21.839 40.100 29.208 1.00 16.10 N ATOM 812 CA ASN A 131 21.780 41.550 29.363 1.00 16.51 C ATOM 813 C ASN A 131 22.265 42.037 30.728 1.00 17.09 C ATOM 814 O ASN A 131 22.041 43.191 31.101 1.00 15.40 O ATOM 815 CB ASN A 131 20.343 42.019 29.135 1.00 16.14 C ATOM 816 CG ASN A 131 19.390 41.497 30.191 1.00 15.76 C ATOM 817 OD1 ASN A 131 19.599 40.421 30.754 1.00 14.35 O ATOM 818 ND2 ASN A 131 18.331 42.249 30.457 1.00 12.66 N ATOM 0 H ASN A 131 21.442 39.655 29.828 1.00 16.10 H new ATOM 0 HA ASN A 131 22.382 41.930 28.704 1.00 16.51 H new ATOM 0 HB2 ASN A 131 20.319 42.989 29.132 1.00 16.14 H new ATOM 0 HB3 ASN A 131 20.045 41.725 28.260 1.00 16.14 H new ATOM 0 HD21 ASN A 131 17.757 41.991 31.043 1.00 12.66 H new ATOM 0 HD22 ASN A 131 18.218 42.995 30.044 1.00 12.66 H new ATOM 819 N GLY A 132 22.930 41.164 31.475 1.00 16.48 N ATOM 820 CA GLY A 132 23.409 41.565 32.784 1.00 16.39 C ATOM 821 C GLY A 132 23.650 40.406 33.728 1.00 16.32 C ATOM 822 O GLY A 132 23.289 39.267 33.432 1.00 15.70 O ATOM 0 H GLY A 132 23.110 40.354 31.247 1.00 16.48 H new ATOM 0 HA2 GLY A 132 24.235 42.062 32.678 1.00 16.39 H new ATOM 0 HA3 GLY A 132 22.764 42.169 33.184 1.00 16.39 H new ATOM 823 N PRO A 133 24.259 40.675 34.891 1.00 16.86 N ATOM 824 CA PRO A 133 24.555 39.644 35.888 1.00 16.52 C ATOM 825 C PRO A 133 23.366 39.197 36.730 1.00 16.67 C ATOM 826 O PRO A 133 22.380 39.918 36.879 1.00 14.73 O ATOM 827 CB PRO A 133 25.629 40.304 36.740 1.00 18.13 C ATOM 828 CG PRO A 133 25.165 41.732 36.767 1.00 19.39 C ATOM 829 CD PRO A 133 24.804 41.980 35.310 1.00 17.34 C ATOM 0 HA PRO A 133 24.826 38.815 35.464 1.00 16.52 H new ATOM 0 HB2 PRO A 133 25.675 39.920 37.629 1.00 18.13 H new ATOM 0 HB3 PRO A 133 26.511 40.215 36.346 1.00 18.13 H new ATOM 0 HG2 PRO A 133 24.403 41.854 37.355 1.00 19.39 H new ATOM 0 HG3 PRO A 133 25.861 42.333 37.075 1.00 19.39 H new ATOM 0 HD2 PRO A 133 24.151 42.691 35.215 1.00 17.34 H new ATOM 0 HD3 PRO A 133 25.578 42.234 34.784 1.00 17.34 H new ATOM 830 N VAL A 134 23.483 37.988 37.269 1.00 15.33 N ATOM 831 CA VAL A 134 22.476 37.404 38.142 1.00 14.89 C ATOM 832 C VAL A 134 23.257 36.791 39.297 1.00 15.87 C ATOM 833 O VAL A 134 24.181 36.006 39.074 1.00 15.81 O ATOM 834 CB VAL A 134 21.681 36.267 37.450 1.00 16.04 C ATOM 835 CG1 VAL A 134 20.752 35.596 38.460 1.00 15.51 C ATOM 836 CG2 VAL A 134 20.876 36.816 36.289 1.00 16.52 C ATOM 0 H VAL A 134 24.161 37.477 37.134 1.00 15.33 H new ATOM 0 HA VAL A 134 21.836 38.083 38.408 1.00 14.89 H new ATOM 0 HB VAL A 134 22.308 35.610 37.108 1.00 16.04 H new ATOM 0 HG11 VAL A 134 20.257 34.886 38.023 1.00 15.51 H new ATOM 0 HG12 VAL A 134 21.277 35.224 39.186 1.00 15.51 H new ATOM 0 HG13 VAL A 134 20.131 36.252 38.814 1.00 15.51 H new ATOM 0 HG21 VAL A 134 20.384 36.095 35.866 1.00 16.52 H new ATOM 0 HG22 VAL A 134 20.253 37.484 36.614 1.00 16.52 H new ATOM 0 HG23 VAL A 134 21.475 37.221 35.642 1.00 16.52 H new ATOM 837 N ASP A 135 22.910 37.166 40.522 1.00 15.62 N ATOM 838 CA ASP A 135 23.580 36.618 41.693 1.00 16.17 C ATOM 839 C ASP A 135 23.236 35.141 41.802 1.00 15.62 C ATOM 840 O ASP A 135 22.062 34.775 41.801 1.00 14.59 O ATOM 841 CB ASP A 135 23.116 37.333 42.964 1.00 18.60 C ATOM 842 CG ASP A 135 23.802 38.665 43.171 1.00 22.67 C ATOM 843 OD1 ASP A 135 23.414 39.388 44.110 1.00 26.47 O ATOM 844 OD2 ASP A 135 24.735 38.990 42.406 1.00 25.27 O ATOM 0 H ASP A 135 22.290 37.736 40.697 1.00 15.62 H new ATOM 0 HA ASP A 135 24.537 36.742 41.598 1.00 16.17 H new ATOM 0 HB2 ASP A 135 22.157 37.471 42.920 1.00 18.60 H new ATOM 0 HB3 ASP A 135 23.286 36.764 43.731 1.00 18.60 H new ATOM 845 N LEU A 136 24.252 34.291 41.897 1.00 14.96 N ATOM 846 CA LEU A 136 24.009 32.861 42.019 1.00 15.29 C ATOM 847 C LEU A 136 23.102 32.592 43.211 1.00 15.09 C ATOM 848 O LEU A 136 22.245 31.712 43.167 1.00 15.69 O ATOM 849 CB LEU A 136 25.330 32.107 42.185 1.00 16.65 C ATOM 850 CG LEU A 136 26.192 32.044 40.921 1.00 19.45 C ATOM 851 CD1 LEU A 136 27.554 31.455 41.245 1.00 20.44 C ATOM 852 CD2 LEU A 136 25.480 31.207 39.863 1.00 20.07 C ATOM 0 H LEU A 136 25.081 34.519 41.893 1.00 14.96 H new ATOM 0 HA LEU A 136 23.574 32.548 41.210 1.00 15.29 H new ATOM 0 HB2 LEU A 136 25.843 32.529 42.891 1.00 16.65 H new ATOM 0 HB3 LEU A 136 25.138 31.202 42.476 1.00 16.65 H new ATOM 0 HG LEU A 136 26.325 32.940 40.575 1.00 19.45 H new ATOM 0 HD11 LEU A 136 28.092 31.420 40.438 1.00 20.44 H new ATOM 0 HD12 LEU A 136 27.998 32.010 41.905 1.00 20.44 H new ATOM 0 HD13 LEU A 136 27.443 30.559 41.599 1.00 20.44 H new ATOM 0 HD21 LEU A 136 26.025 31.166 39.062 1.00 20.07 H new ATOM 0 HD22 LEU A 136 25.337 30.310 40.202 1.00 20.07 H new ATOM 0 HD23 LEU A 136 24.624 31.612 39.651 1.00 20.07 H new ATOM 853 N LYS A 137 23.283 33.370 44.271 1.00 15.02 N ATOM 854 CA LYS A 137 22.481 33.212 45.475 1.00 16.35 C ATOM 855 C LYS A 137 20.988 33.373 45.182 1.00 16.97 C ATOM 856 O LYS A 137 20.160 32.649 45.734 1.00 16.16 O ATOM 857 CB LYS A 137 22.915 34.234 46.528 1.00 18.04 C ATOM 858 CG LYS A 137 22.505 33.875 47.944 1.00 21.45 C ATOM 859 CD LYS A 137 23.202 32.603 48.402 1.00 22.81 C ATOM 860 CE LYS A 137 22.761 32.214 49.796 1.00 24.76 C ATOM 861 NZ LYS A 137 23.383 30.940 50.231 1.00 25.30 N ATOM 0 H LYS A 137 23.869 33.999 44.313 1.00 15.02 H new ATOM 0 HA LYS A 137 22.625 32.314 45.812 1.00 16.35 H new ATOM 0 HB2 LYS A 137 23.880 34.329 46.495 1.00 18.04 H new ATOM 0 HB3 LYS A 137 22.537 35.098 46.301 1.00 18.04 H new ATOM 0 HG2 LYS A 137 22.727 34.604 48.544 1.00 21.45 H new ATOM 0 HG3 LYS A 137 21.543 33.755 47.986 1.00 21.45 H new ATOM 0 HD2 LYS A 137 23.005 31.882 47.784 1.00 22.81 H new ATOM 0 HD3 LYS A 137 24.163 32.734 48.388 1.00 22.81 H new ATOM 0 HE2 LYS A 137 22.997 32.919 50.419 1.00 24.76 H new ATOM 0 HE3 LYS A 137 21.795 32.127 49.818 1.00 24.76 H new ATOM 0 HZ1 LYS A 137 22.900 30.582 50.887 1.00 25.30 H new ATOM 0 HZ2 LYS A 137 23.414 30.375 49.544 1.00 25.30 H new ATOM 0 HZ3 LYS A 137 24.209 31.097 50.523 1.00 25.30 H new ATOM 862 N LYS A 138 20.643 34.321 44.315 1.00 16.70 N ATOM 863 CA LYS A 138 19.242 34.547 43.977 1.00 18.16 C ATOM 864 C LYS A 138 18.645 33.328 43.277 1.00 18.22 C ATOM 865 O LYS A 138 17.478 32.989 43.483 1.00 18.35 O ATOM 866 CB LYS A 138 19.090 35.780 43.084 1.00 19.00 C ATOM 867 CG LYS A 138 17.638 36.140 42.829 1.00 22.88 C ATOM 868 CD LYS A 138 17.484 37.475 42.137 1.00 24.96 C ATOM 869 CE LYS A 138 16.013 37.849 42.039 1.00 25.58 C ATOM 870 NZ LYS A 138 15.815 39.153 41.350 1.00 28.55 N ATOM 0 H LYS A 138 21.200 34.840 43.915 1.00 16.70 H new ATOM 0 HA LYS A 138 18.761 34.698 44.806 1.00 18.16 H new ATOM 0 HB2 LYS A 138 19.538 36.533 43.499 1.00 19.00 H new ATOM 0 HB3 LYS A 138 19.533 35.618 42.237 1.00 19.00 H new ATOM 0 HG2 LYS A 138 17.227 35.449 42.286 1.00 22.88 H new ATOM 0 HG3 LYS A 138 17.160 36.160 43.673 1.00 22.88 H new ATOM 0 HD2 LYS A 138 17.966 38.159 42.628 1.00 24.96 H new ATOM 0 HD3 LYS A 138 17.874 37.434 41.250 1.00 24.96 H new ATOM 0 HE2 LYS A 138 15.535 37.155 41.559 1.00 25.58 H new ATOM 0 HE3 LYS A 138 15.631 37.893 42.930 1.00 25.58 H new ATOM 0 HZ1 LYS A 138 15.058 39.130 40.882 1.00 28.55 H new ATOM 0 HZ2 LYS A 138 15.769 39.805 41.955 1.00 28.55 H new ATOM 0 HZ3 LYS A 138 16.499 39.306 40.801 1.00 28.55 H new ATOM 871 N ILE A 139 19.454 32.672 42.453 1.00 16.32 N ATOM 872 CA ILE A 139 19.014 31.483 41.732 1.00 16.08 C ATOM 873 C ILE A 139 18.821 30.297 42.682 1.00 15.74 C ATOM 874 O ILE A 139 17.802 29.610 42.630 1.00 15.35 O ATOM 875 CB ILE A 139 20.047 31.072 40.646 1.00 16.31 C ATOM 876 CG1 ILE A 139 20.122 32.146 39.559 1.00 16.51 C ATOM 877 CG2 ILE A 139 19.663 29.724 40.036 1.00 16.46 C ATOM 878 CD1 ILE A 139 21.247 31.935 38.565 1.00 16.87 C ATOM 0 H ILE A 139 20.268 32.901 42.296 1.00 16.32 H new ATOM 0 HA ILE A 139 18.168 31.708 41.314 1.00 16.08 H new ATOM 0 HB ILE A 139 20.920 30.987 41.060 1.00 16.31 H new ATOM 0 HG12 ILE A 139 19.279 32.169 39.080 1.00 16.51 H new ATOM 0 HG13 ILE A 139 20.232 33.013 39.980 1.00 16.51 H new ATOM 0 HG21 ILE A 139 20.314 29.477 39.360 1.00 16.46 H new ATOM 0 HG22 ILE A 139 19.646 29.047 40.731 1.00 16.46 H new ATOM 0 HG23 ILE A 139 18.785 29.791 39.630 1.00 16.46 H new ATOM 0 HD11 ILE A 139 21.236 32.648 37.908 1.00 16.87 H new ATOM 0 HD12 ILE A 139 22.097 31.940 39.032 1.00 16.87 H new ATOM 0 HD13 ILE A 139 21.129 31.082 38.118 1.00 16.87 H new ATOM 879 N THR A 140 19.801 30.066 43.552 1.00 14.68 N ATOM 880 CA THR A 140 19.739 28.943 44.481 1.00 14.50 C ATOM 881 C THR A 140 18.744 29.091 45.634 1.00 14.30 C ATOM 882 O THR A 140 18.244 28.092 46.149 1.00 12.95 O ATOM 883 CB THR A 140 21.147 28.621 45.053 1.00 16.54 C ATOM 884 OG1 THR A 140 21.687 29.779 45.701 1.00 15.68 O ATOM 885 CG2 THR A 140 22.090 28.204 43.927 1.00 16.02 C ATOM 0 H THR A 140 20.510 30.548 43.620 1.00 14.68 H new ATOM 0 HA THR A 140 19.407 28.209 43.941 1.00 14.50 H new ATOM 0 HB THR A 140 21.061 27.896 45.691 1.00 16.54 H new ATOM 0 HG1 THR A 140 21.104 30.384 45.726 1.00 15.68 H new ATOM 0 HG21 THR A 140 22.965 28.005 44.295 1.00 16.02 H new ATOM 0 HG22 THR A 140 21.738 27.415 43.486 1.00 16.02 H new ATOM 0 HG23 THR A 140 22.166 28.926 43.284 1.00 16.02 H new ATOM 886 N ASN A 141 18.444 30.324 46.035 1.00 13.75 N ATOM 887 CA ASN A 141 17.501 30.541 47.132 1.00 13.07 C ATOM 888 C ASN A 141 16.120 29.963 46.846 1.00 12.85 C ATOM 889 O ASN A 141 15.421 29.531 47.764 1.00 12.11 O ATOM 890 CB ASN A 141 17.370 32.033 47.457 1.00 14.25 C ATOM 891 CG ASN A 141 18.512 32.544 48.322 1.00 16.66 C ATOM 892 OD1 ASN A 141 19.209 31.765 48.968 1.00 15.89 O ATOM 893 ND2 ASN A 141 18.693 33.860 48.352 1.00 16.94 N ATOM 0 H ASN A 141 18.770 31.041 45.691 1.00 13.75 H new ATOM 0 HA ASN A 141 17.867 30.071 47.897 1.00 13.07 H new ATOM 0 HB2 ASN A 141 17.343 32.540 46.630 1.00 14.25 H new ATOM 0 HB3 ASN A 141 16.528 32.189 47.913 1.00 14.25 H new ATOM 0 HD21 ASN A 141 19.318 34.197 48.837 1.00 16.94 H new ATOM 0 HD22 ASN A 141 18.185 34.375 47.886 1.00 16.94 H new ATOM 894 N PHE A 142 15.726 29.949 45.577 1.00 11.54 N ATOM 895 CA PHE A 142 14.423 29.408 45.206 1.00 13.10 C ATOM 896 C PHE A 142 14.311 27.953 45.633 1.00 12.23 C ATOM 897 O PHE A 142 13.214 27.445 45.871 1.00 12.69 O ATOM 898 CB PHE A 142 14.215 29.488 43.691 1.00 12.87 C ATOM 899 CG PHE A 142 13.990 30.878 43.180 1.00 14.13 C ATOM 900 CD1 PHE A 142 12.903 31.629 43.623 1.00 15.12 C ATOM 901 CD2 PHE A 142 14.854 31.436 42.245 1.00 13.17 C ATOM 902 CE1 PHE A 142 12.682 32.920 43.141 1.00 15.21 C ATOM 903 CE2 PHE A 142 14.642 32.727 41.755 1.00 14.74 C ATOM 904 CZ PHE A 142 13.554 33.470 42.204 1.00 13.40 C ATOM 0 H PHE A 142 16.194 30.246 44.920 1.00 11.54 H new ATOM 0 HA PHE A 142 13.746 29.937 45.656 1.00 13.10 H new ATOM 0 HB2 PHE A 142 14.991 29.112 43.247 1.00 12.87 H new ATOM 0 HB3 PHE A 142 13.454 28.937 43.449 1.00 12.87 H new ATOM 0 HD1 PHE A 142 12.318 31.265 44.248 1.00 15.12 H new ATOM 0 HD2 PHE A 142 15.582 30.944 41.942 1.00 13.17 H new ATOM 0 HE1 PHE A 142 11.954 33.412 43.445 1.00 15.21 H new ATOM 0 HE2 PHE A 142 15.227 33.090 41.130 1.00 14.74 H new ATOM 0 HZ PHE A 142 13.410 34.330 41.880 1.00 13.40 H new ATOM 905 N PHE A 143 15.457 27.293 45.739 1.00 10.87 N ATOM 906 CA PHE A 143 15.495 25.884 46.096 1.00 11.11 C ATOM 907 C PHE A 143 15.869 25.586 47.549 1.00 12.26 C ATOM 908 O PHE A 143 16.114 24.432 47.904 1.00 13.23 O ATOM 909 CB PHE A 143 16.438 25.169 45.127 1.00 10.60 C ATOM 910 CG PHE A 143 16.024 25.307 43.687 1.00 10.18 C ATOM 911 CD1 PHE A 143 15.080 24.446 43.133 1.00 10.65 C ATOM 912 CD2 PHE A 143 16.529 26.340 42.902 1.00 9.45 C ATOM 913 CE1 PHE A 143 14.641 24.615 41.815 1.00 10.19 C ATOM 914 CE2 PHE A 143 16.098 26.517 41.587 1.00 8.65 C ATOM 915 CZ PHE A 143 15.152 25.654 41.042 1.00 10.34 C ATOM 0 H PHE A 143 16.229 27.647 45.607 1.00 10.87 H new ATOM 0 HA PHE A 143 14.587 25.551 46.019 1.00 11.11 H new ATOM 0 HB2 PHE A 143 17.334 25.524 45.235 1.00 10.60 H new ATOM 0 HB3 PHE A 143 16.476 24.228 45.358 1.00 10.60 H new ATOM 0 HD1 PHE A 143 14.737 23.750 43.645 1.00 10.65 H new ATOM 0 HD2 PHE A 143 17.162 26.920 43.259 1.00 9.45 H new ATOM 0 HE1 PHE A 143 14.009 24.034 41.456 1.00 10.19 H new ATOM 0 HE2 PHE A 143 16.443 27.212 41.074 1.00 8.65 H new ATOM 0 HZ PHE A 143 14.863 25.771 40.166 1.00 10.34 H new ATOM 916 N ARG A 144 15.901 26.618 48.388 1.00 11.71 N ATOM 917 CA ARG A 144 16.217 26.435 49.804 1.00 12.88 C ATOM 918 C ARG A 144 15.277 25.400 50.411 1.00 13.17 C ATOM 919 O ARG A 144 14.133 25.259 49.978 1.00 12.28 O ATOM 920 CB ARG A 144 16.071 27.756 50.565 1.00 15.09 C ATOM 921 CG ARG A 144 17.297 28.646 50.514 1.00 17.32 C ATOM 922 CD ARG A 144 17.011 30.027 51.091 1.00 18.43 C ATOM 923 NE ARG A 144 16.256 29.973 52.341 1.00 20.21 N ATOM 924 CZ ARG A 144 16.234 30.954 53.239 1.00 22.05 C ATOM 925 NH1 ARG A 144 16.930 32.062 53.026 1.00 21.00 N ATOM 926 NH2 ARG A 144 15.512 30.834 54.345 1.00 22.87 N ATOM 0 H ARG A 144 15.743 27.432 48.159 1.00 11.71 H new ATOM 0 HA ARG A 144 17.135 26.130 49.876 1.00 12.88 H new ATOM 0 HB2 ARG A 144 15.315 28.244 50.202 1.00 15.09 H new ATOM 0 HB3 ARG A 144 15.864 27.561 51.493 1.00 15.09 H new ATOM 0 HG2 ARG A 144 18.020 28.231 51.010 1.00 17.32 H new ATOM 0 HG3 ARG A 144 17.596 28.734 49.595 1.00 17.32 H new ATOM 0 HD2 ARG A 144 17.850 30.489 51.244 1.00 18.43 H new ATOM 0 HD3 ARG A 144 16.515 30.548 50.441 1.00 18.43 H new ATOM 0 HE ARG A 144 15.798 29.264 52.506 1.00 20.21 H new ATOM 0 HH11 ARG A 144 17.395 32.146 52.308 1.00 21.00 H new ATOM 0 HH12 ARG A 144 16.916 32.697 53.606 1.00 21.00 H new ATOM 0 HH21 ARG A 144 15.055 30.119 54.485 1.00 22.87 H new ATOM 0 HH22 ARG A 144 15.501 31.471 54.923 1.00 22.87 H new ATOM 927 N GLY A 145 15.766 24.687 51.420 1.00 13.50 N ATOM 928 CA GLY A 145 14.967 23.664 52.066 1.00 14.06 C ATOM 929 C GLY A 145 13.585 24.125 52.491 1.00 15.35 C ATOM 930 O GLY A 145 12.648 23.323 52.515 1.00 13.80 O ATOM 0 H GLY A 145 16.557 24.783 51.742 1.00 13.50 H new ATOM 0 HA2 GLY A 145 14.873 22.912 51.461 1.00 14.06 H new ATOM 0 HA3 GLY A 145 15.443 23.342 52.847 1.00 14.06 H new ATOM 931 N ASP A 146 13.449 25.408 52.820 1.00 14.60 N ATOM 932 CA ASP A 146 12.163 25.940 53.258 1.00 17.21 C ATOM 933 C ASP A 146 11.326 26.583 52.150 1.00 17.89 C ATOM 934 O ASP A 146 10.138 26.844 52.345 1.00 18.63 O ATOM 935 CB ASP A 146 12.373 26.942 54.405 1.00 15.58 C ATOM 936 CG ASP A 146 13.151 28.181 53.978 1.00 15.66 C ATOM 937 OD1 ASP A 146 13.982 28.085 53.050 1.00 14.54 O ATOM 938 OD2 ASP A 146 12.946 29.253 54.591 1.00 13.60 O ATOM 0 H ASP A 146 14.087 25.984 52.796 1.00 14.60 H new ATOM 0 HA ASP A 146 11.652 25.173 53.560 1.00 17.21 H new ATOM 0 HB2 ASP A 146 11.509 27.213 54.754 1.00 15.58 H new ATOM 0 HB3 ASP A 146 12.846 26.503 55.129 1.00 15.58 H new ATOM 939 N ARG A 147 11.923 26.822 50.987 1.00 17.79 N ATOM 940 CA ARG A 147 11.189 27.455 49.894 1.00 18.21 C ATOM 941 C ARG A 147 10.691 26.507 48.804 1.00 17.74 C ATOM 942 O ARG A 147 9.780 26.849 48.047 1.00 19.26 O ATOM 943 CB ARG A 147 12.034 28.583 49.298 1.00 18.92 C ATOM 944 CG ARG A 147 12.310 29.674 50.326 1.00 18.56 C ATOM 945 CD ARG A 147 13.140 30.830 49.794 1.00 19.33 C ATOM 946 NE ARG A 147 13.373 31.810 50.854 1.00 18.56 N ATOM 947 CZ ARG A 147 14.095 32.918 50.717 1.00 18.96 C ATOM 948 NH1 ARG A 147 14.668 33.206 49.556 1.00 19.10 N ATOM 949 NH2 ARG A 147 14.243 33.738 51.748 1.00 19.08 N ATOM 0 H ARG A 147 12.742 26.629 50.810 1.00 17.79 H new ATOM 0 HA ARG A 147 10.377 27.808 50.289 1.00 18.21 H new ATOM 0 HB2 ARG A 147 12.874 28.223 48.973 1.00 18.92 H new ATOM 0 HB3 ARG A 147 11.574 28.965 48.534 1.00 18.92 H new ATOM 0 HG2 ARG A 147 11.464 30.019 50.653 1.00 18.56 H new ATOM 0 HG3 ARG A 147 12.769 29.281 51.085 1.00 18.56 H new ATOM 0 HD2 ARG A 147 13.987 30.501 49.456 1.00 19.33 H new ATOM 0 HD3 ARG A 147 12.682 31.251 49.050 1.00 19.33 H new ATOM 0 HE ARG A 147 13.017 31.659 51.622 1.00 18.56 H new ATOM 0 HH11 ARG A 147 14.574 32.675 48.886 1.00 19.10 H new ATOM 0 HH12 ARG A 147 15.134 33.924 49.473 1.00 19.10 H new ATOM 0 HH21 ARG A 147 13.873 33.552 52.502 1.00 19.08 H new ATOM 0 HH22 ARG A 147 14.709 34.456 51.663 1.00 19.08 H new ATOM 950 N CYS A 148 11.286 25.322 48.727 1.00 15.26 N ATOM 951 CA CYS A 148 10.872 24.303 47.765 1.00 13.45 C ATOM 952 C CYS A 148 10.761 23.003 48.557 1.00 13.58 C ATOM 953 O CYS A 148 11.691 22.192 48.586 1.00 12.50 O ATOM 954 CB CYS A 148 11.904 24.147 46.648 1.00 13.09 C ATOM 955 SG CYS A 148 11.415 22.923 45.406 1.00 13.38 S ATOM 0 H CYS A 148 11.941 25.084 49.230 1.00 15.26 H new ATOM 0 HA CYS A 148 10.033 24.546 47.342 1.00 13.45 H new ATOM 0 HB2 CYS A 148 12.038 25.005 46.215 1.00 13.09 H new ATOM 0 HB3 CYS A 148 12.755 23.888 47.034 1.00 13.09 H new ATOM 0 HG CYS A 148 10.704 23.442 44.590 1.00 13.38 H new ATOM 956 N ARG A 149 9.614 22.815 49.201 1.00 13.08 N ATOM 957 CA ARG A 149 9.381 21.649 50.048 1.00 11.92 C ATOM 958 C ARG A 149 9.448 20.285 49.383 1.00 11.44 C ATOM 959 O ARG A 149 9.796 19.307 50.039 1.00 11.64 O ATOM 960 CB ARG A 149 8.038 21.791 50.772 1.00 15.25 C ATOM 961 CG ARG A 149 7.941 23.033 51.642 1.00 19.16 C ATOM 962 CD ARG A 149 9.004 23.065 52.739 1.00 23.24 C ATOM 963 NE ARG A 149 8.701 22.211 53.890 1.00 27.24 N ATOM 964 CZ ARG A 149 8.955 20.906 53.968 1.00 31.25 C ATOM 965 NH1 ARG A 149 9.525 20.267 52.956 1.00 31.86 N ATOM 966 NH2 ARG A 149 8.646 20.238 55.074 1.00 34.59 N ATOM 0 H ARG A 149 8.949 23.359 49.160 1.00 13.08 H new ATOM 0 HA ARG A 149 10.134 21.656 50.659 1.00 11.92 H new ATOM 0 HB2 ARG A 149 7.325 21.810 50.114 1.00 15.25 H new ATOM 0 HB3 ARG A 149 7.893 21.007 51.324 1.00 15.25 H new ATOM 0 HG2 ARG A 149 8.032 23.822 51.085 1.00 19.16 H new ATOM 0 HG3 ARG A 149 7.061 23.072 52.048 1.00 19.16 H new ATOM 0 HD2 ARG A 149 9.854 22.791 52.360 1.00 23.24 H new ATOM 0 HD3 ARG A 149 9.111 23.979 53.046 1.00 23.24 H new ATOM 0 HE ARG A 149 8.329 22.582 54.571 1.00 27.24 H new ATOM 0 HH11 ARG A 149 9.734 20.695 52.240 1.00 31.86 H new ATOM 0 HH12 ARG A 149 9.685 19.424 53.015 1.00 31.86 H new ATOM 0 HH21 ARG A 149 8.283 20.648 55.737 1.00 34.59 H new ATOM 0 HH22 ARG A 149 8.809 19.395 55.127 1.00 34.59 H new ATOM 967 N SER A 150 9.110 20.201 48.099 1.00 10.33 N ATOM 968 CA SER A 150 9.158 18.911 47.421 1.00 9.05 C ATOM 969 C SER A 150 10.589 18.479 47.102 1.00 9.58 C ATOM 970 O SER A 150 10.811 17.402 46.558 1.00 8.49 O ATOM 971 CB SER A 150 8.292 18.920 46.149 1.00 8.58 C ATOM 972 OG SER A 150 8.595 20.006 45.298 1.00 10.91 O ATOM 0 H SER A 150 8.856 20.863 47.612 1.00 10.33 H new ATOM 0 HA SER A 150 8.791 18.256 48.035 1.00 9.05 H new ATOM 0 HB2 SER A 150 8.422 18.089 45.667 1.00 8.58 H new ATOM 0 HB3 SER A 150 7.356 18.960 46.399 1.00 8.58 H new ATOM 0 HG SER A 150 8.190 20.692 45.564 1.00 10.91 H new ATOM 973 N LEU A 151 11.563 19.321 47.443 1.00 8.91 N ATOM 974 CA LEU A 151 12.961 18.968 47.231 1.00 8.72 C ATOM 975 C LEU A 151 13.694 18.923 48.573 1.00 8.98 C ATOM 976 O LEU A 151 14.883 18.605 48.635 1.00 10.10 O ATOM 977 CB LEU A 151 13.646 19.960 46.285 1.00 7.92 C ATOM 978 CG LEU A 151 13.308 19.843 44.790 1.00 8.03 C ATOM 979 CD1 LEU A 151 14.060 20.929 44.028 1.00 6.53 C ATOM 980 CD2 LEU A 151 13.700 18.468 44.257 1.00 7.33 C ATOM 0 H LEU A 151 11.435 20.095 47.796 1.00 8.91 H new ATOM 0 HA LEU A 151 12.995 18.091 46.818 1.00 8.72 H new ATOM 0 HB2 LEU A 151 13.422 20.858 46.576 1.00 7.92 H new ATOM 0 HB3 LEU A 151 14.606 19.860 46.386 1.00 7.92 H new ATOM 0 HG LEU A 151 12.352 19.954 44.668 1.00 8.03 H new ATOM 0 HD11 LEU A 151 13.853 20.864 43.083 1.00 6.53 H new ATOM 0 HD12 LEU A 151 13.792 21.801 44.358 1.00 6.53 H new ATOM 0 HD13 LEU A 151 15.014 20.814 44.158 1.00 6.53 H new ATOM 0 HD21 LEU A 151 13.480 18.412 43.314 1.00 7.33 H new ATOM 0 HD22 LEU A 151 14.654 18.335 44.375 1.00 7.33 H new ATOM 0 HD23 LEU A 151 13.216 17.782 44.743 1.00 7.33 H new ATOM 981 N THR A 152 12.979 19.233 49.650 1.00 9.01 N ATOM 982 CA THR A 152 13.581 19.214 50.980 1.00 10.39 C ATOM 983 C THR A 152 14.144 17.824 51.247 1.00 10.34 C ATOM 984 O THR A 152 13.447 16.824 51.068 1.00 10.44 O ATOM 985 CB THR A 152 12.546 19.539 52.079 1.00 11.92 C ATOM 986 OG1 THR A 152 11.889 20.776 51.771 1.00 10.91 O ATOM 987 CG2 THR A 152 13.236 19.666 53.430 1.00 10.18 C ATOM 0 H THR A 152 12.149 19.456 49.633 1.00 9.01 H new ATOM 0 HA THR A 152 14.278 19.888 51.003 1.00 10.39 H new ATOM 0 HB THR A 152 11.896 18.820 52.117 1.00 11.92 H new ATOM 0 HG1 THR A 152 12.323 21.414 52.102 1.00 10.91 H new ATOM 0 HG21 THR A 152 12.577 19.870 54.112 1.00 10.18 H new ATOM 0 HG22 THR A 152 13.678 18.830 53.648 1.00 10.18 H new ATOM 0 HG23 THR A 152 13.893 20.379 53.392 1.00 10.18 H new ATOM 988 N GLY A 153 15.404 17.760 51.665 1.00 8.38 N ATOM 989 CA GLY A 153 16.016 16.473 51.945 1.00 8.40 C ATOM 990 C GLY A 153 16.557 15.760 50.713 1.00 7.21 C ATOM 991 O GLY A 153 17.111 14.665 50.819 1.00 7.80 O ATOM 0 H GLY A 153 15.913 18.441 51.791 1.00 8.38 H new ATOM 0 HA2 GLY A 153 16.741 16.601 52.577 1.00 8.40 H new ATOM 0 HA3 GLY A 153 15.361 15.901 52.376 1.00 8.40 H new ATOM 992 N LYS A 154 16.396 16.376 49.547 1.00 7.14 N ATOM 993 CA LYS A 154 16.869 15.792 48.297 1.00 8.94 C ATOM 994 C LYS A 154 18.046 16.606 47.757 1.00 8.34 C ATOM 995 O LYS A 154 18.118 17.816 47.970 1.00 8.46 O ATOM 996 CB LYS A 154 15.739 15.774 47.261 1.00 8.06 C ATOM 997 CG LYS A 154 14.527 14.934 47.657 1.00 9.82 C ATOM 998 CD LYS A 154 13.409 15.073 46.632 1.00 8.95 C ATOM 999 CE LYS A 154 12.156 14.302 47.040 1.00 11.57 C ATOM 1000 NZ LYS A 154 11.014 14.568 46.107 1.00 10.40 N ATOM 0 H LYS A 154 16.012 17.140 49.458 1.00 7.14 H new ATOM 0 HA LYS A 154 17.158 14.882 48.467 1.00 8.94 H new ATOM 0 HB2 LYS A 154 15.448 16.685 47.101 1.00 8.06 H new ATOM 0 HB3 LYS A 154 16.091 15.438 46.422 1.00 8.06 H new ATOM 0 HG2 LYS A 154 14.786 14.002 47.734 1.00 9.82 H new ATOM 0 HG3 LYS A 154 14.207 15.212 48.529 1.00 9.82 H new ATOM 0 HD2 LYS A 154 13.188 16.011 46.521 1.00 8.95 H new ATOM 0 HD3 LYS A 154 13.719 14.751 45.771 1.00 8.95 H new ATOM 0 HE2 LYS A 154 12.350 13.352 47.052 1.00 11.57 H new ATOM 0 HE3 LYS A 154 11.902 14.551 47.942 1.00 11.57 H new ATOM 0 HZ1 LYS A 154 10.301 14.106 46.371 1.00 10.40 H new ATOM 0 HZ2 LYS A 154 10.822 15.437 46.112 1.00 10.40 H new ATOM 0 HZ3 LYS A 154 11.240 14.320 45.283 1.00 10.40 H new ATOM 1001 N PRO A 155 18.982 15.952 47.047 1.00 9.03 N ATOM 1002 CA PRO A 155 20.145 16.653 46.492 1.00 8.39 C ATOM 1003 C PRO A 155 19.815 17.636 45.369 1.00 9.77 C ATOM 1004 O PRO A 155 19.136 17.297 44.393 1.00 9.10 O ATOM 1005 CB PRO A 155 21.044 15.514 46.027 1.00 8.61 C ATOM 1006 CG PRO A 155 20.060 14.455 45.639 1.00 9.09 C ATOM 1007 CD PRO A 155 19.066 14.507 46.776 1.00 9.15 C ATOM 0 HA PRO A 155 20.561 17.232 47.150 1.00 8.39 H new ATOM 0 HB2 PRO A 155 21.603 15.778 45.279 1.00 8.61 H new ATOM 0 HB3 PRO A 155 21.638 15.213 46.732 1.00 8.61 H new ATOM 0 HG2 PRO A 155 19.642 14.645 44.784 1.00 9.09 H new ATOM 0 HG3 PRO A 155 20.478 13.583 45.563 1.00 9.09 H new ATOM 0 HD2 PRO A 155 18.207 14.135 46.524 1.00 9.15 H new ATOM 0 HD3 PRO A 155 19.374 14.010 47.550 1.00 9.15 H new ATOM 1008 N LYS A 156 20.315 18.857 45.527 1.00 8.65 N ATOM 1009 CA LYS A 156 20.115 19.938 44.572 1.00 7.76 C ATOM 1010 C LYS A 156 21.503 20.290 44.043 1.00 9.51 C ATOM 1011 O LYS A 156 22.316 20.903 44.743 1.00 9.49 O ATOM 1012 CB LYS A 156 19.473 21.126 45.288 1.00 8.81 C ATOM 1013 CG LYS A 156 18.086 20.809 45.843 1.00 8.31 C ATOM 1014 CD LYS A 156 17.591 21.894 46.800 1.00 10.76 C ATOM 1015 CE LYS A 156 17.990 21.607 48.242 1.00 10.67 C ATOM 1016 NZ LYS A 156 17.264 20.428 48.802 1.00 10.07 N ATOM 0 H LYS A 156 20.790 19.084 46.207 1.00 8.65 H new ATOM 0 HA LYS A 156 19.527 19.689 43.842 1.00 7.76 H new ATOM 0 HB2 LYS A 156 20.050 21.410 46.015 1.00 8.81 H new ATOM 0 HB3 LYS A 156 19.406 21.872 44.671 1.00 8.81 H new ATOM 0 HG2 LYS A 156 17.459 20.715 45.109 1.00 8.31 H new ATOM 0 HG3 LYS A 156 18.111 19.957 46.306 1.00 8.31 H new ATOM 0 HD2 LYS A 156 17.953 22.752 46.530 1.00 10.76 H new ATOM 0 HD3 LYS A 156 16.625 21.962 46.740 1.00 10.76 H new ATOM 0 HE2 LYS A 156 18.946 21.448 48.286 1.00 10.67 H new ATOM 0 HE3 LYS A 156 17.807 22.387 48.788 1.00 10.67 H new ATOM 0 HZ1 LYS A 156 17.374 20.403 49.685 1.00 10.07 H new ATOM 0 HZ2 LYS A 156 16.397 20.496 48.613 1.00 10.07 H new ATOM 0 HZ3 LYS A 156 17.588 19.681 48.442 1.00 10.07 H new ATOM 1017 N LEU A 157 21.764 19.896 42.801 1.00 8.02 N ATOM 1018 CA LEU A 157 23.073 20.092 42.196 1.00 9.10 C ATOM 1019 C LEU A 157 23.168 21.231 41.197 1.00 9.01 C ATOM 1020 O LEU A 157 22.401 21.299 40.239 1.00 8.62 O ATOM 1021 CB LEU A 157 23.511 18.794 41.500 1.00 7.97 C ATOM 1022 CG LEU A 157 23.132 17.473 42.182 1.00 11.12 C ATOM 1023 CD1 LEU A 157 23.646 16.295 41.352 1.00 9.29 C ATOM 1024 CD2 LEU A 157 23.709 17.430 43.584 1.00 10.27 C ATOM 0 H LEU A 157 21.190 19.510 42.289 1.00 8.02 H new ATOM 0 HA LEU A 157 23.657 20.334 42.932 1.00 9.10 H new ATOM 0 HB2 LEU A 157 23.135 18.790 40.606 1.00 7.97 H new ATOM 0 HB3 LEU A 157 24.476 18.816 41.402 1.00 7.97 H new ATOM 0 HG LEU A 157 22.166 17.410 42.245 1.00 11.12 H new ATOM 0 HD11 LEU A 157 23.404 15.462 41.787 1.00 9.29 H new ATOM 0 HD12 LEU A 157 23.249 16.324 40.467 1.00 9.29 H new ATOM 0 HD13 LEU A 157 24.611 16.350 41.275 1.00 9.29 H new ATOM 0 HD21 LEU A 157 23.466 16.593 44.009 1.00 10.27 H new ATOM 0 HD22 LEU A 157 24.675 17.500 43.539 1.00 10.27 H new ATOM 0 HD23 LEU A 157 23.356 18.170 44.102 1.00 10.27 H new ATOM 1025 N PHE A 158 24.127 22.121 41.425 1.00 7.65 N ATOM 1026 CA PHE A 158 24.350 23.236 40.521 1.00 7.76 C ATOM 1027 C PHE A 158 25.753 23.119 39.926 1.00 8.63 C ATOM 1028 O PHE A 158 26.752 23.175 40.646 1.00 8.89 O ATOM 1029 CB PHE A 158 24.168 24.568 41.256 1.00 7.39 C ATOM 1030 CG PHE A 158 22.742 24.840 41.655 1.00 6.84 C ATOM 1031 CD1 PHE A 158 22.203 24.274 42.808 1.00 6.84 C ATOM 1032 CD2 PHE A 158 21.913 25.603 40.833 1.00 7.69 C ATOM 1033 CE1 PHE A 158 20.854 24.462 43.134 1.00 7.60 C ATOM 1034 CE2 PHE A 158 20.566 25.796 41.149 1.00 7.05 C ATOM 1035 CZ PHE A 158 20.036 25.223 42.300 1.00 6.62 C ATOM 0 H PHE A 158 24.659 22.095 42.100 1.00 7.65 H new ATOM 0 HA PHE A 158 23.699 23.211 39.802 1.00 7.76 H new ATOM 0 HB2 PHE A 158 24.725 24.570 42.050 1.00 7.39 H new ATOM 0 HB3 PHE A 158 24.481 25.289 40.688 1.00 7.39 H new ATOM 0 HD1 PHE A 158 22.745 23.766 43.367 1.00 6.84 H new ATOM 0 HD2 PHE A 158 22.262 25.989 40.063 1.00 7.69 H new ATOM 0 HE1 PHE A 158 20.504 24.080 43.906 1.00 7.60 H new ATOM 0 HE2 PHE A 158 20.025 26.307 40.591 1.00 7.05 H new ATOM 0 HZ PHE A 158 19.139 25.347 42.513 1.00 6.62 H new ATOM 1036 N ILE A 159 25.806 22.932 38.609 1.00 8.45 N ATOM 1037 CA ILE A 159 27.059 22.788 37.865 1.00 7.78 C ATOM 1038 C ILE A 159 27.295 24.118 37.166 1.00 7.84 C ATOM 1039 O ILE A 159 26.504 24.529 36.315 1.00 7.84 O ATOM 1040 CB ILE A 159 26.948 21.654 36.818 1.00 8.90 C ATOM 1041 CG1 ILE A 159 26.460 20.373 37.501 1.00 11.00 C ATOM 1042 CG2 ILE A 159 28.289 21.425 36.135 1.00 8.77 C ATOM 1043 CD1 ILE A 159 27.386 19.812 38.558 1.00 16.28 C ATOM 0 H ILE A 159 25.105 22.884 38.114 1.00 8.45 H new ATOM 0 HA ILE A 159 27.791 22.561 38.460 1.00 7.78 H new ATOM 0 HB ILE A 159 26.307 21.911 36.137 1.00 8.90 H new ATOM 0 HG12 ILE A 159 25.597 20.549 37.908 1.00 11.00 H new ATOM 0 HG13 ILE A 159 26.320 19.695 36.822 1.00 11.00 H new ATOM 0 HG21 ILE A 159 28.203 20.712 35.483 1.00 8.77 H new ATOM 0 HG22 ILE A 159 28.568 22.240 35.688 1.00 8.77 H new ATOM 0 HG23 ILE A 159 28.952 21.177 36.798 1.00 8.77 H new ATOM 0 HD11 ILE A 159 26.998 19.006 38.934 1.00 16.28 H new ATOM 0 HD12 ILE A 159 28.244 19.601 38.158 1.00 16.28 H new ATOM 0 HD13 ILE A 159 27.510 20.469 39.261 1.00 16.28 H new ATOM 1044 N ILE A 160 28.390 24.786 37.515 1.00 8.17 N ATOM 1045 CA ILE A 160 28.671 26.106 36.962 1.00 8.61 C ATOM 1046 C ILE A 160 29.947 26.253 36.146 1.00 8.15 C ATOM 1047 O ILE A 160 31.053 26.167 36.683 1.00 6.01 O ATOM 1048 CB ILE A 160 28.720 27.171 38.095 1.00 10.86 C ATOM 1049 CG1 ILE A 160 27.445 27.102 38.937 1.00 12.01 C ATOM 1050 CG2 ILE A 160 28.891 28.568 37.507 1.00 7.45 C ATOM 1051 CD1 ILE A 160 27.496 26.063 40.027 1.00 20.65 C ATOM 0 H ILE A 160 28.980 24.494 38.068 1.00 8.17 H new ATOM 0 HA ILE A 160 27.937 26.240 36.343 1.00 8.61 H new ATOM 0 HB ILE A 160 29.482 26.983 38.665 1.00 10.86 H new ATOM 0 HG12 ILE A 160 27.283 27.971 39.336 1.00 12.01 H new ATOM 0 HG13 ILE A 160 26.692 26.913 38.355 1.00 12.01 H new ATOM 0 HG21 ILE A 160 28.920 29.220 38.225 1.00 7.45 H new ATOM 0 HG22 ILE A 160 29.718 28.608 37.001 1.00 7.45 H new ATOM 0 HG23 ILE A 160 28.144 28.766 36.921 1.00 7.45 H new ATOM 0 HD11 ILE A 160 26.661 26.071 40.521 1.00 20.65 H new ATOM 0 HD12 ILE A 160 27.630 25.187 39.633 1.00 20.65 H new ATOM 0 HD13 ILE A 160 28.230 26.262 40.630 1.00 20.65 H new ATOM 1052 N GLN A 161 29.780 26.484 34.845 1.00 7.21 N ATOM 1053 CA GLN A 161 30.908 26.712 33.953 1.00 8.38 C ATOM 1054 C GLN A 161 30.928 28.221 33.740 1.00 9.15 C ATOM 1055 O GLN A 161 30.139 28.756 32.956 1.00 7.94 O ATOM 1056 CB GLN A 161 30.709 25.999 32.612 1.00 8.85 C ATOM 1057 CG GLN A 161 31.658 26.459 31.488 1.00 9.48 C ATOM 1058 CD GLN A 161 33.126 26.462 31.903 1.00 9.12 C ATOM 1059 OE1 GLN A 161 33.601 25.537 32.554 1.00 7.37 O ATOM 1060 NE2 GLN A 161 33.850 27.502 31.508 1.00 10.50 N ATOM 0 H GLN A 161 29.012 26.512 34.459 1.00 7.21 H new ATOM 0 HA GLN A 161 31.735 26.370 34.327 1.00 8.38 H new ATOM 0 HB2 GLN A 161 30.826 25.046 32.747 1.00 8.85 H new ATOM 0 HB3 GLN A 161 29.794 26.134 32.321 1.00 8.85 H new ATOM 0 HG2 GLN A 161 31.546 25.877 30.720 1.00 9.48 H new ATOM 0 HG3 GLN A 161 31.406 27.352 31.206 1.00 9.48 H new ATOM 0 HE21 GLN A 161 33.484 28.133 31.053 1.00 10.50 H new ATOM 0 HE22 GLN A 161 34.685 27.545 31.707 1.00 10.50 H new ATOM 1061 N ALA A 162 31.817 28.899 34.461 1.00 8.47 N ATOM 1062 CA ALA A 162 31.947 30.349 34.376 1.00 8.82 C ATOM 1063 C ALA A 162 33.131 30.816 35.213 1.00 9.00 C ATOM 1064 O ALA A 162 33.550 30.126 36.144 1.00 9.77 O ATOM 1065 CB ALA A 162 30.663 31.014 34.882 1.00 8.05 C ATOM 0 H ALA A 162 32.362 28.530 35.014 1.00 8.47 H new ATOM 0 HA ALA A 162 32.095 30.599 33.451 1.00 8.82 H new ATOM 0 HB1 ALA A 162 30.753 31.978 34.824 1.00 8.05 H new ATOM 0 HB2 ALA A 162 29.913 30.726 34.338 1.00 8.05 H new ATOM 0 HB3 ALA A 162 30.508 30.759 35.805 1.00 8.05 H new ATOM 1066 N CYS A 163 33.670 31.986 34.885 1.00 8.63 N ATOM 1067 CA CYS A 163 34.792 32.533 35.639 1.00 10.01 C ATOM 1068 C CYS A 163 34.323 32.881 37.043 1.00 11.69 C ATOM 1069 O CYS A 163 33.134 33.127 37.269 1.00 11.10 O ATOM 1070 CB CYS A 163 35.339 33.805 34.973 1.00 12.02 C ATOM 1071 SG CYS A 163 36.206 33.522 33.413 1.00 15.27 S ATOM 0 H CYS A 163 33.402 32.477 34.232 1.00 8.63 H new ATOM 0 HA CYS A 163 35.497 31.867 35.666 1.00 10.01 H new ATOM 0 HB2 CYS A 163 34.602 34.415 34.814 1.00 12.02 H new ATOM 0 HB3 CYS A 163 35.944 34.245 35.591 1.00 12.02 H new ATOM 1072 N ARG A 164 35.268 32.898 37.978 1.00 9.08 N ATOM 1073 CA ARG A 164 34.993 33.243 39.365 1.00 10.41 C ATOM 1074 C ARG A 164 35.998 34.323 39.766 1.00 9.53 C ATOM 1075 O ARG A 164 36.254 34.548 40.950 1.00 9.96 O ATOM 1076 CB ARG A 164 35.162 32.018 40.268 1.00 8.80 C ATOM 1077 CG ARG A 164 34.219 30.865 39.947 1.00 8.34 C ATOM 1078 CD ARG A 164 34.423 29.706 40.915 1.00 7.51 C ATOM 1079 NE ARG A 164 33.992 30.046 42.267 1.00 8.43 N ATOM 1080 CZ ARG A 164 34.153 29.261 43.328 1.00 10.16 C ATOM 1081 NH1 ARG A 164 34.744 28.080 43.200 1.00 11.58 N ATOM 1082 NH2 ARG A 164 33.714 29.655 44.518 1.00 11.03 N ATOM 0 H ARG A 164 36.092 32.708 37.822 1.00 9.08 H new ATOM 0 HA ARG A 164 34.081 33.558 39.461 1.00 10.41 H new ATOM 0 HB2 ARG A 164 36.077 31.702 40.199 1.00 8.80 H new ATOM 0 HB3 ARG A 164 35.024 32.287 41.190 1.00 8.80 H new ATOM 0 HG2 ARG A 164 33.300 31.172 39.994 1.00 8.34 H new ATOM 0 HG3 ARG A 164 34.371 30.562 39.038 1.00 8.34 H new ATOM 0 HD2 ARG A 164 33.928 28.933 40.603 1.00 7.51 H new ATOM 0 HD3 ARG A 164 35.360 29.456 40.928 1.00 7.51 H new ATOM 0 HE ARG A 164 33.608 30.806 42.386 1.00 8.43 H new ATOM 0 HH11 ARG A 164 35.024 27.821 42.429 1.00 11.58 H new ATOM 0 HH12 ARG A 164 34.847 27.574 43.888 1.00 11.58 H new ATOM 0 HH21 ARG A 164 33.326 30.418 44.602 1.00 11.03 H new ATOM 0 HH22 ARG A 164 33.818 29.147 45.204 1.00 11.03 H new ATOM 1083 N GLY A 165 36.564 34.985 38.762 1.00 10.47 N ATOM 1084 CA GLY A 165 37.547 36.024 39.006 1.00 10.85 C ATOM 1085 C GLY A 165 38.451 36.183 37.797 1.00 12.94 C ATOM 1086 O GLY A 165 38.142 35.675 36.717 1.00 14.22 O ATOM 0 H GLY A 165 36.390 34.845 37.932 1.00 10.47 H new ATOM 0 HA2 GLY A 165 37.100 36.863 39.197 1.00 10.85 H new ATOM 0 HA3 GLY A 165 38.077 35.801 39.787 1.00 10.85 H new ATOM 1087 N THR A 166 39.570 36.877 37.971 1.00 12.75 N ATOM 1088 CA THR A 166 40.501 37.094 36.869 1.00 13.09 C ATOM 1089 C THR A 166 41.901 36.558 37.141 1.00 14.08 C ATOM 1090 O THR A 166 42.864 36.978 36.501 1.00 14.24 O ATOM 1091 CB THR A 166 40.622 38.593 36.530 1.00 13.01 C ATOM 1092 OG1 THR A 166 41.086 39.308 37.684 1.00 12.85 O ATOM 1093 CG2 THR A 166 39.271 39.153 36.098 1.00 12.49 C ATOM 0 H THR A 166 39.809 37.230 38.718 1.00 12.75 H new ATOM 0 HA THR A 166 40.126 36.601 36.123 1.00 13.09 H new ATOM 0 HB THR A 166 41.253 38.698 35.801 1.00 13.01 H new ATOM 0 HG1 THR A 166 41.921 39.239 37.740 1.00 12.85 H new ATOM 0 HG21 THR A 166 39.363 40.096 35.888 1.00 12.49 H new ATOM 0 HG22 THR A 166 38.959 38.677 35.313 1.00 12.49 H new ATOM 0 HG23 THR A 166 38.630 39.044 36.818 1.00 12.49 H new ATOM 1094 N GLU A 167 42.029 35.633 38.084 1.00 13.02 N ATOM 1095 CA GLU A 167 43.344 35.078 38.380 1.00 12.83 C ATOM 1096 C GLU A 167 43.697 33.963 37.400 1.00 11.88 C ATOM 1097 O GLU A 167 42.815 33.279 36.885 1.00 9.68 O ATOM 1098 CB GLU A 167 43.393 34.551 39.816 1.00 15.06 C ATOM 1099 CG GLU A 167 43.229 35.633 40.865 1.00 16.67 C ATOM 1100 CD GLU A 167 43.405 35.109 42.271 1.00 20.10 C ATOM 1101 OE1 GLU A 167 44.509 34.621 42.588 1.00 21.04 O ATOM 1102 OE2 GLU A 167 42.439 35.185 43.058 1.00 21.68 O ATOM 0 H GLU A 167 41.382 35.318 38.556 1.00 13.02 H new ATOM 0 HA GLU A 167 43.998 35.788 38.285 1.00 12.83 H new ATOM 0 HB2 GLU A 167 42.694 33.888 39.933 1.00 15.06 H new ATOM 0 HB3 GLU A 167 44.239 34.099 39.958 1.00 15.06 H new ATOM 0 HG2 GLU A 167 43.876 36.337 40.702 1.00 16.67 H new ATOM 0 HG3 GLU A 167 42.349 36.031 40.779 1.00 16.67 H new ATOM 1103 N LEU A 168 44.991 33.803 37.136 1.00 12.12 N ATOM 1104 CA LEU A 168 45.479 32.773 36.224 1.00 13.09 C ATOM 1105 C LEU A 168 46.452 31.871 36.967 1.00 12.13 C ATOM 1106 O LEU A 168 47.276 32.341 37.749 1.00 13.56 O ATOM 1107 CB LEU A 168 46.182 33.409 35.018 1.00 14.37 C ATOM 1108 CG LEU A 168 45.295 34.170 34.025 1.00 16.05 C ATOM 1109 CD1 LEU A 168 46.155 34.981 33.073 1.00 18.64 C ATOM 1110 CD2 LEU A 168 44.427 33.185 33.256 1.00 15.38 C ATOM 0 H LEU A 168 45.611 34.289 37.481 1.00 12.12 H new ATOM 0 HA LEU A 168 44.726 32.253 35.901 1.00 13.09 H new ATOM 0 HB2 LEU A 168 46.858 34.020 35.350 1.00 14.37 H new ATOM 0 HB3 LEU A 168 46.646 32.708 34.534 1.00 14.37 H new ATOM 0 HG LEU A 168 44.719 34.781 34.511 1.00 16.05 H new ATOM 0 HD11 LEU A 168 45.586 35.458 32.449 1.00 18.64 H new ATOM 0 HD12 LEU A 168 46.686 35.617 33.578 1.00 18.64 H new ATOM 0 HD13 LEU A 168 46.744 34.387 32.583 1.00 18.64 H new ATOM 0 HD21 LEU A 168 43.867 33.668 32.629 1.00 15.38 H new ATOM 0 HD22 LEU A 168 44.993 32.564 32.771 1.00 15.38 H new ATOM 0 HD23 LEU A 168 43.867 32.694 33.877 1.00 15.38 H new ATOM 1111 N ASP A 169 46.350 30.573 36.715 1.00 12.85 N ATOM 1112 CA ASP A 169 47.201 29.585 37.366 1.00 10.79 C ATOM 1113 C ASP A 169 48.369 29.239 36.442 1.00 12.37 C ATOM 1114 O ASP A 169 48.172 28.628 35.385 1.00 10.32 O ATOM 1115 CB ASP A 169 46.373 28.332 37.663 1.00 10.74 C ATOM 1116 CG ASP A 169 47.024 27.428 38.681 1.00 11.25 C ATOM 1117 OD1 ASP A 169 48.214 27.090 38.502 1.00 10.09 O ATOM 1118 OD2 ASP A 169 46.339 27.050 39.658 1.00 11.07 O ATOM 0 H ASP A 169 45.784 30.239 36.160 1.00 12.85 H new ATOM 0 HA ASP A 169 47.551 29.941 38.198 1.00 10.79 H new ATOM 0 HB2 ASP A 169 45.497 28.597 37.985 1.00 10.74 H new ATOM 0 HB3 ASP A 169 46.235 27.838 36.840 1.00 10.74 H new ATOM 1119 N CYS A 170 49.579 29.633 36.836 1.00 11.74 N ATOM 1120 CA CYS A 170 50.771 29.366 36.028 1.00 13.29 C ATOM 1121 C CYS A 170 51.156 27.890 36.082 1.00 13.53 C ATOM 1122 O CYS A 170 51.972 27.415 35.281 1.00 11.79 O ATOM 1123 CB CYS A 170 51.942 30.221 36.517 1.00 14.95 C ATOM 1124 SG CYS A 170 52.459 29.868 38.219 1.00 21.79 S ATOM 0 H CYS A 170 49.732 30.057 37.568 1.00 11.74 H new ATOM 0 HA CYS A 170 50.564 29.595 35.108 1.00 13.29 H new ATOM 0 HB2 CYS A 170 52.698 30.085 35.925 1.00 14.95 H new ATOM 0 HB3 CYS A 170 51.696 31.157 36.452 1.00 14.95 H new ATOM 0 HG CYS A 170 52.792 28.718 38.306 1.00 21.79 H new ATOM 1125 N GLY A 171 50.564 27.175 37.035 1.00 13.00 N ATOM 1126 CA GLY A 171 50.833 25.759 37.199 1.00 12.77 C ATOM 1127 C GLY A 171 52.261 25.472 37.620 1.00 14.68 C ATOM 1128 O GLY A 171 53.084 26.381 37.713 1.00 14.56 O ATOM 0 H GLY A 171 50.000 27.498 37.598 1.00 13.00 H new ATOM 0 HA2 GLY A 171 50.226 25.394 37.862 1.00 12.77 H new ATOM 0 HA3 GLY A 171 50.649 25.301 36.364 1.00 12.77 H new ATOM 1129 N ILE A 172 52.553 24.206 37.898 1.00 15.22 N ATOM 1130 CA ILE A 172 53.902 23.804 38.277 1.00 17.35 C ATOM 1131 C ILE A 172 54.245 22.441 37.690 1.00 18.57 C ATOM 1132 O ILE A 172 53.404 21.540 37.640 1.00 14.67 O ATOM 1133 CB ILE A 172 54.092 23.762 39.811 1.00 18.92 C ATOM 1134 CG1 ILE A 172 55.482 23.211 40.133 1.00 19.41 C ATOM 1135 CG2 ILE A 172 53.003 22.923 40.460 1.00 16.77 C ATOM 1136 CD1 ILE A 172 55.783 23.161 41.586 1.00 23.53 C ATOM 0 H ILE A 172 51.982 23.563 37.873 1.00 15.22 H new ATOM 0 HA ILE A 172 54.502 24.476 37.917 1.00 17.35 H new ATOM 0 HB ILE A 172 54.021 24.660 40.171 1.00 18.92 H new ATOM 0 HG12 ILE A 172 55.560 22.317 39.764 1.00 19.41 H new ATOM 0 HG13 ILE A 172 56.149 23.760 39.691 1.00 19.41 H new ATOM 0 HG21 ILE A 172 53.136 22.907 41.421 1.00 16.77 H new ATOM 0 HG22 ILE A 172 52.135 23.308 40.261 1.00 16.77 H new ATOM 0 HG23 ILE A 172 53.042 22.018 40.113 1.00 16.77 H new ATOM 0 HD11 ILE A 172 56.675 22.804 41.720 1.00 23.53 H new ATOM 0 HD12 ILE A 172 55.734 24.056 41.958 1.00 23.53 H new ATOM 0 HD13 ILE A 172 55.137 22.591 42.031 1.00 23.53 H new ATOM 1137 N GLU A 173 55.491 22.319 37.241 1.00 21.52 N ATOM 1138 CA GLU A 173 56.021 21.109 36.625 1.00 27.79 C ATOM 1139 C GLU A 173 56.015 19.917 37.575 1.00 29.19 C ATOM 1140 O GLU A 173 56.494 20.008 38.704 1.00 29.95 O ATOM 1141 CB GLU A 173 57.452 21.375 36.154 1.00 31.33 C ATOM 1142 CG GLU A 173 57.901 20.560 34.955 1.00 38.02 C ATOM 1143 CD GLU A 173 57.199 20.975 33.676 1.00 43.27 C ATOM 1144 OE1 GLU A 173 57.175 22.190 33.377 1.00 46.17 O ATOM 1145 OE2 GLU A 173 56.678 20.086 32.965 1.00 45.04 O ATOM 0 H GLU A 173 56.067 22.956 37.288 1.00 21.52 H new ATOM 0 HA GLU A 173 55.446 20.884 35.877 1.00 27.79 H new ATOM 0 HB2 GLU A 173 57.536 22.317 35.936 1.00 31.33 H new ATOM 0 HB3 GLU A 173 58.058 21.199 36.891 1.00 31.33 H new ATOM 0 HG2 GLU A 173 58.859 20.658 34.841 1.00 38.02 H new ATOM 0 HG3 GLU A 173 57.730 19.620 35.124 1.00 38.02 H new ATOM 1146 N THR A 174 55.483 18.794 37.105 1.00 31.77 N ATOM 1147 CA THR A 174 55.419 17.579 37.912 1.00 34.83 C ATOM 1148 C THR A 174 56.546 16.618 37.552 1.00 36.76 C ATOM 1149 O THR A 174 57.436 17.033 36.782 1.00 37.78 O ATOM 1150 CB THR A 174 54.073 16.857 37.728 1.00 35.32 C ATOM 1151 OG1 THR A 174 53.789 16.712 36.329 1.00 36.44 O ATOM 1152 CG2 THR A 174 52.962 17.640 38.405 1.00 36.49 C ATOM 0 H THR A 174 55.151 18.714 36.316 1.00 31.77 H new ATOM 0 HA THR A 174 55.512 17.852 38.838 1.00 34.83 H new ATOM 0 HB THR A 174 54.127 15.978 38.135 1.00 35.32 H new ATOM 0 HG1 THR A 174 53.054 16.316 36.232 1.00 36.44 H new ATOM 0 HG21 THR A 174 52.119 17.177 38.283 1.00 36.49 H new ATOM 0 HG22 THR A 174 53.153 17.719 39.353 1.00 36.49 H new ATOM 0 HG23 THR A 174 52.904 18.525 38.012 1.00 36.49 H new ATOM 1153 N ASP A 175 56.540 15.471 38.054 1.00 39.90 N TER 1154 ASP A 175 ATOM 1155 N ALA B 175 25.537 12.773 78.781 1.00 23.90 N ATOM 1156 CA ALA B 175 25.745 14.163 78.289 1.00 24.72 C ATOM 1157 C ALA B 175 24.416 14.830 77.959 1.00 23.87 C ATOM 1158 O ALA B 175 23.458 14.168 77.556 1.00 24.34 O ATOM 1159 CB ALA B 175 26.638 14.149 77.050 1.00 24.52 C ATOM 0 HA ALA B 175 26.176 14.672 78.993 1.00 24.72 H new ATOM 0 HB1 ALA B 175 26.769 15.057 76.735 1.00 24.52 H new ATOM 0 HB2 ALA B 175 27.497 13.758 77.274 1.00 24.52 H new ATOM 0 HB3 ALA B 175 26.216 13.623 76.353 1.00 24.52 H new ATOM 1160 N SER B 176 24.367 16.146 78.138 1.00 23.11 N ATOM 1161 CA SER B 176 23.169 16.928 77.850 1.00 21.41 C ATOM 1162 C SER B 176 23.581 18.378 77.625 1.00 20.82 C ATOM 1163 O SER B 176 24.572 18.842 78.189 1.00 20.78 O ATOM 1164 CB SER B 176 22.171 16.846 79.011 1.00 19.45 C ATOM 1165 OG SER B 176 22.702 17.417 80.194 1.00 18.06 O ATOM 0 H SER B 176 25.028 16.612 78.430 1.00 23.11 H new ATOM 0 HA SER B 176 22.737 16.573 77.058 1.00 21.41 H new ATOM 0 HB2 SER B 176 21.352 17.305 78.768 1.00 19.45 H new ATOM 0 HB3 SER B 176 21.938 15.919 79.174 1.00 19.45 H new ATOM 0 HG SER B 176 23.215 16.865 80.566 1.00 18.06 H new ATOM 1166 N GLY B 177 22.822 19.088 76.798 1.00 21.03 N ATOM 1167 CA GLY B 177 23.142 20.474 76.521 1.00 20.09 C ATOM 1168 C GLY B 177 21.970 21.241 75.948 1.00 19.88 C ATOM 1169 O GLY B 177 20.908 20.676 75.690 1.00 21.28 O ATOM 0 H GLY B 177 22.126 18.787 76.393 1.00 21.03 H new ATOM 0 HA2 GLY B 177 23.436 20.904 77.339 1.00 20.09 H new ATOM 0 HA3 GLY B 177 23.884 20.512 75.898 1.00 20.09 H new ATOM 1170 N VAL B 178 22.177 22.533 75.728 1.00 19.83 N ATOM 1171 CA VAL B 178 21.137 23.410 75.204 1.00 19.81 C ATOM 1172 C VAL B 178 20.977 23.385 73.683 1.00 19.87 C ATOM 1173 O VAL B 178 19.964 23.849 73.163 1.00 19.56 O ATOM 1174 CB VAL B 178 21.404 24.874 75.618 1.00 19.04 C ATOM 1175 CG1 VAL B 178 21.599 24.965 77.122 1.00 17.17 C ATOM 1176 CG2 VAL B 178 22.638 25.402 74.893 1.00 18.43 C ATOM 0 H VAL B 178 22.926 22.928 75.879 1.00 19.83 H new ATOM 0 HA VAL B 178 20.317 23.064 75.589 1.00 19.81 H new ATOM 0 HB VAL B 178 20.639 25.416 75.371 1.00 19.04 H new ATOM 0 HG11 VAL B 178 21.766 25.887 77.372 1.00 17.17 H new ATOM 0 HG12 VAL B 178 20.800 24.648 77.572 1.00 17.17 H new ATOM 0 HG13 VAL B 178 22.356 24.418 77.384 1.00 17.17 H new ATOM 0 HG21 VAL B 178 22.800 26.321 75.157 1.00 18.43 H new ATOM 0 HG22 VAL B 178 23.407 24.859 75.125 1.00 18.43 H new ATOM 0 HG23 VAL B 178 22.492 25.362 73.935 1.00 18.43 H new ATOM 1177 N ASP B 179 21.959 22.841 72.968 1.00 21.50 N ATOM 1178 CA ASP B 179 21.900 22.835 71.506 1.00 20.83 C ATOM 1179 C ASP B 179 21.835 21.493 70.777 1.00 22.07 C ATOM 1180 O ASP B 179 22.302 21.392 69.645 1.00 21.05 O ATOM 1181 CB ASP B 179 23.084 23.625 70.946 1.00 19.66 C ATOM 1182 CG ASP B 179 24.420 23.106 71.446 1.00 17.67 C ATOM 1183 OD1 ASP B 179 24.548 21.886 71.651 1.00 17.06 O ATOM 1184 OD2 ASP B 179 25.349 23.918 71.621 1.00 19.67 O ATOM 0 H ASP B 179 22.661 22.474 73.304 1.00 21.50 H new ATOM 0 HA ASP B 179 21.034 23.236 71.331 1.00 20.83 H new ATOM 0 HB2 ASP B 179 23.067 23.584 69.977 1.00 19.66 H new ATOM 0 HB3 ASP B 179 22.991 24.559 71.192 1.00 19.66 H new ATOM 1185 N ASP B 180 21.260 20.467 71.394 1.00 23.61 N ATOM 1186 CA ASP B 180 21.177 19.178 70.715 1.00 24.92 C ATOM 1187 C ASP B 180 19.906 18.407 71.055 1.00 25.29 C ATOM 1188 O ASP B 180 19.174 18.758 71.985 1.00 24.37 O ATOM 1189 CB ASP B 180 22.396 18.313 71.057 1.00 26.98 C ATOM 1190 CG ASP B 180 22.325 17.735 72.460 1.00 29.05 C ATOM 1191 OD1 ASP B 180 22.235 18.519 73.426 1.00 30.54 O ATOM 1192 OD2 ASP B 180 22.355 16.494 72.596 1.00 32.86 O ATOM 0 H ASP B 180 20.920 20.492 72.184 1.00 23.61 H new ATOM 0 HA ASP B 180 21.158 19.372 69.765 1.00 24.92 H new ATOM 0 HB2 ASP B 180 22.465 17.589 70.415 1.00 26.98 H new ATOM 0 HB3 ASP B 180 23.202 18.846 70.971 1.00 26.98 H new ATOM 1193 N ASP B 181 19.655 17.358 70.277 1.00 25.28 N ATOM 1194 CA ASP B 181 18.499 16.491 70.469 1.00 25.79 C ATOM 1195 C ASP B 181 17.184 17.259 70.620 1.00 24.43 C ATOM 1196 O ASP B 181 16.474 17.108 71.614 1.00 24.06 O ATOM 1197 CB ASP B 181 18.745 15.594 71.688 1.00 27.19 C ATOM 1198 CG ASP B 181 17.792 14.416 71.754 1.00 30.49 C ATOM 1199 OD1 ASP B 181 17.415 13.889 70.683 1.00 31.08 O ATOM 1200 OD2 ASP B 181 17.438 14.004 72.880 1.00 30.96 O ATOM 0 H ASP B 181 20.156 17.128 69.617 1.00 25.28 H new ATOM 0 HA ASP B 181 18.400 15.953 69.668 1.00 25.79 H new ATOM 0 HB2 ASP B 181 19.657 15.265 71.663 1.00 27.19 H new ATOM 0 HB3 ASP B 181 18.656 16.123 72.496 1.00 27.19 H new ATOM 1201 N MET B 182 16.866 18.083 69.626 1.00 23.36 N ATOM 1202 CA MET B 182 15.631 18.865 69.633 1.00 22.71 C ATOM 1203 C MET B 182 14.439 17.943 69.411 1.00 22.02 C ATOM 1204 O MET B 182 14.531 16.981 68.653 1.00 19.99 O ATOM 1205 CB MET B 182 15.659 19.917 68.520 1.00 24.11 C ATOM 1206 CG MET B 182 16.608 21.078 68.761 1.00 24.23 C ATOM 1207 SD MET B 182 16.085 22.105 70.142 1.00 26.15 S ATOM 1208 CE MET B 182 17.197 21.524 71.422 1.00 26.12 C ATOM 0 H MET B 182 17.357 18.205 68.931 1.00 23.36 H new ATOM 0 HA MET B 182 15.552 19.309 70.492 1.00 22.71 H new ATOM 0 HB2 MET B 182 15.905 19.483 67.688 1.00 24.11 H new ATOM 0 HB3 MET B 182 14.763 20.268 68.402 1.00 24.11 H new ATOM 0 HG2 MET B 182 17.499 20.735 68.934 1.00 24.23 H new ATOM 0 HG3 MET B 182 16.663 21.621 67.959 1.00 24.23 H new ATOM 0 HE1 MET B 182 16.755 21.579 72.284 1.00 26.12 H new ATOM 0 HE2 MET B 182 17.443 20.603 71.243 1.00 26.12 H new ATOM 0 HE3 MET B 182 17.995 22.075 71.432 1.00 26.12 H new ATOM 1209 N ALA B 183 13.323 18.239 70.070 1.00 21.75 N ATOM 1210 CA ALA B 183 12.117 17.426 69.926 1.00 23.46 C ATOM 1211 C ALA B 183 11.635 17.468 68.478 1.00 23.79 C ATOM 1212 O ALA B 183 11.333 16.434 67.882 1.00 23.69 O ATOM 1213 CB ALA B 183 11.025 17.941 70.858 1.00 22.86 C ATOM 0 H ALA B 183 13.242 18.907 70.606 1.00 21.75 H new ATOM 0 HA ALA B 183 12.323 16.508 70.164 1.00 23.46 H new ATOM 0 HB1 ALA B 183 10.229 17.396 70.756 1.00 22.86 H new ATOM 0 HB2 ALA B 183 11.334 17.893 71.776 1.00 22.86 H new ATOM 0 HB3 ALA B 183 10.817 18.862 70.635 1.00 22.86 H new ATOM 1214 N CYS B 184 11.560 18.675 67.926 1.00 24.08 N ATOM 1215 CA CYS B 184 11.133 18.870 66.547 1.00 25.09 C ATOM 1216 C CYS B 184 12.384 18.852 65.675 1.00 25.26 C ATOM 1217 O CYS B 184 13.237 19.732 65.783 1.00 25.18 O ATOM 1218 CB CYS B 184 10.408 20.212 66.402 1.00 26.98 C ATOM 1219 SG CYS B 184 8.927 20.389 67.433 1.00 32.01 S ATOM 0 H CYS B 184 11.755 19.403 68.341 1.00 24.08 H new ATOM 0 HA CYS B 184 10.519 18.169 66.278 1.00 25.09 H new ATOM 0 HB2 CYS B 184 11.027 20.926 66.622 1.00 26.98 H new ATOM 0 HB3 CYS B 184 10.156 20.331 65.473 1.00 26.98 H new ATOM 0 HG CYS B 184 9.232 20.854 68.496 1.00 32.01 H new ATOM 1220 N HIS B 185 12.490 17.844 64.817 1.00 25.09 N ATOM 1221 CA HIS B 185 13.650 17.700 63.945 1.00 25.20 C ATOM 1222 C HIS B 185 13.649 18.676 62.771 1.00 23.45 C ATOM 1223 O HIS B 185 12.673 18.768 62.026 1.00 22.44 O ATOM 1224 CB HIS B 185 13.721 16.261 63.425 1.00 28.70 C ATOM 1225 CG HIS B 185 13.898 15.239 64.505 1.00 33.76 C ATOM 1226 ND1 HIS B 185 13.170 14.069 64.549 1.00 35.87 N ATOM 1227 CD2 HIS B 185 14.721 15.210 65.580 1.00 34.89 C ATOM 1228 CE1 HIS B 185 13.535 13.365 65.605 1.00 36.69 C ATOM 1229 NE2 HIS B 185 14.476 14.035 66.248 1.00 37.10 N ATOM 0 H HIS B 185 11.897 17.228 64.724 1.00 25.09 H new ATOM 0 HA HIS B 185 14.433 17.910 64.478 1.00 25.20 H new ATOM 0 HB2 HIS B 185 12.909 16.063 62.933 1.00 28.70 H new ATOM 0 HB3 HIS B 185 14.457 16.188 62.798 1.00 28.70 H new ATOM 0 HD1 HIS B 185 12.571 13.834 63.978 1.00 35.87 H new ATOM 0 HD2 HIS B 185 15.337 15.864 65.821 1.00 34.89 H new ATOM 0 HE1 HIS B 185 13.189 12.538 65.854 1.00 36.69 H new ATOM 1230 N LYS B 186 14.751 19.405 62.617 1.00 20.72 N ATOM 1231 CA LYS B 186 14.902 20.362 61.525 1.00 18.42 C ATOM 1232 C LYS B 186 16.270 20.189 60.874 1.00 15.59 C ATOM 1233 O LYS B 186 17.184 19.614 61.466 1.00 12.31 O ATOM 1234 CB LYS B 186 14.806 21.808 62.035 1.00 19.40 C ATOM 1235 CG LYS B 186 13.515 22.177 62.748 1.00 23.04 C ATOM 1236 CD LYS B 186 13.397 23.695 62.937 1.00 23.48 C ATOM 1237 CE LYS B 186 14.586 24.274 63.694 1.00 25.24 C ATOM 1238 NZ LYS B 186 14.518 25.762 63.813 1.00 26.88 N ATOM 0 H LYS B 186 15.431 19.359 63.142 1.00 20.72 H new ATOM 0 HA LYS B 186 14.189 20.194 60.889 1.00 18.42 H new ATOM 0 HB2 LYS B 186 15.547 21.969 62.640 1.00 19.40 H new ATOM 0 HB3 LYS B 186 14.921 22.407 61.281 1.00 19.40 H new ATOM 0 HG2 LYS B 186 12.757 21.853 62.237 1.00 23.04 H new ATOM 0 HG3 LYS B 186 13.483 21.738 63.612 1.00 23.04 H new ATOM 0 HD2 LYS B 186 13.328 24.123 62.069 1.00 23.48 H new ATOM 0 HD3 LYS B 186 12.579 23.897 63.418 1.00 23.48 H new ATOM 0 HE2 LYS B 186 14.623 23.883 64.581 1.00 25.24 H new ATOM 0 HE3 LYS B 186 15.407 24.026 63.240 1.00 25.24 H new ATOM 0 HZ1 LYS B 186 15.291 26.070 64.128 1.00 26.88 H new ATOM 0 HZ2 LYS B 186 14.362 26.117 63.012 1.00 26.88 H new ATOM 0 HZ3 LYS B 186 13.861 25.986 64.370 1.00 26.88 H new ATOM 1239 N ILE B 187 16.397 20.674 59.643 1.00 14.51 N ATOM 1240 CA ILE B 187 17.677 20.642 58.935 1.00 13.04 C ATOM 1241 C ILE B 187 17.900 22.049 58.400 1.00 10.44 C ATOM 1242 O ILE B 187 16.954 22.821 58.254 1.00 9.91 O ATOM 1243 CB ILE B 187 17.709 19.641 57.740 1.00 13.03 C ATOM 1244 CG1 ILE B 187 16.818 20.129 56.594 1.00 15.99 C ATOM 1245 CG2 ILE B 187 17.299 18.257 58.212 1.00 13.81 C ATOM 1246 CD1 ILE B 187 15.336 20.154 56.889 1.00 19.07 C ATOM 0 H ILE B 187 15.752 21.028 59.197 1.00 14.51 H new ATOM 0 HA ILE B 187 18.365 20.346 59.551 1.00 13.04 H new ATOM 0 HB ILE B 187 18.615 19.590 57.398 1.00 13.03 H new ATOM 0 HG12 ILE B 187 17.098 21.024 56.346 1.00 15.99 H new ATOM 0 HG13 ILE B 187 16.969 19.560 55.823 1.00 15.99 H new ATOM 0 HG21 ILE B 187 17.321 17.640 57.464 1.00 13.81 H new ATOM 0 HG22 ILE B 187 17.913 17.954 58.899 1.00 13.81 H new ATOM 0 HG23 ILE B 187 16.400 18.292 58.575 1.00 13.81 H new ATOM 0 HD11 ILE B 187 14.856 20.475 56.110 1.00 19.07 H new ATOM 0 HD12 ILE B 187 15.034 19.259 57.108 1.00 19.07 H new ATOM 0 HD13 ILE B 187 15.165 20.745 57.639 1.00 19.07 H new ATOM 1247 N PRO B 188 19.158 22.409 58.121 1.00 9.72 N ATOM 1248 CA PRO B 188 19.479 23.740 57.600 1.00 8.90 C ATOM 1249 C PRO B 188 18.795 23.945 56.252 1.00 9.65 C ATOM 1250 O PRO B 188 18.661 23.001 55.472 1.00 10.75 O ATOM 1251 CB PRO B 188 20.997 23.695 57.467 1.00 8.02 C ATOM 1252 CG PRO B 188 21.403 22.720 58.541 1.00 9.15 C ATOM 1253 CD PRO B 188 20.384 21.633 58.373 1.00 9.00 C ATOM 0 HA PRO B 188 19.180 24.473 58.161 1.00 8.90 H new ATOM 0 HB2 PRO B 188 21.272 23.394 56.587 1.00 8.02 H new ATOM 0 HB3 PRO B 188 21.396 24.568 57.606 1.00 8.02 H new ATOM 0 HG2 PRO B 188 22.307 22.393 58.412 1.00 9.15 H new ATOM 0 HG3 PRO B 188 21.368 23.118 59.425 1.00 9.15 H new ATOM 0 HD2 PRO B 188 20.600 21.043 57.634 1.00 9.00 H new ATOM 0 HD3 PRO B 188 20.308 21.079 59.166 1.00 9.00 H new ATOM 1254 N VAL B 189 18.357 25.170 55.978 1.00 10.75 N ATOM 1255 CA VAL B 189 17.704 25.450 54.707 1.00 10.12 C ATOM 1256 C VAL B 189 18.750 25.418 53.600 1.00 10.33 C ATOM 1257 O VAL B 189 18.413 25.297 52.424 1.00 9.55 O ATOM 1258 CB VAL B 189 17.007 26.835 54.704 1.00 10.30 C ATOM 1259 CG1 VAL B 189 15.946 26.891 55.795 1.00 10.68 C ATOM 1260 CG2 VAL B 189 18.033 27.940 54.891 1.00 11.85 C ATOM 0 H VAL B 189 18.427 25.844 56.507 1.00 10.75 H new ATOM 0 HA VAL B 189 17.023 24.774 54.564 1.00 10.12 H new ATOM 0 HB VAL B 189 16.571 26.967 53.847 1.00 10.30 H new ATOM 0 HG11 VAL B 189 15.516 27.761 55.785 1.00 10.68 H new ATOM 0 HG12 VAL B 189 15.283 26.201 55.637 1.00 10.68 H new ATOM 0 HG13 VAL B 189 16.362 26.747 56.659 1.00 10.68 H new ATOM 0 HG21 VAL B 189 17.586 28.801 54.887 1.00 11.85 H new ATOM 0 HG22 VAL B 189 18.491 27.817 55.737 1.00 11.85 H new ATOM 0 HG23 VAL B 189 18.678 27.908 54.168 1.00 11.85 H new ATOM 1261 N GLU B 190 20.019 25.523 53.992 1.00 9.36 N ATOM 1262 CA GLU B 190 21.138 25.504 53.048 1.00 10.41 C ATOM 1263 C GLU B 190 21.694 24.092 52.874 1.00 9.13 C ATOM 1264 O GLU B 190 22.649 23.872 52.125 1.00 8.26 O ATOM 1265 CB GLU B 190 22.250 26.433 53.541 1.00 11.09 C ATOM 1266 CG GLU B 190 21.847 27.897 53.612 1.00 14.00 C ATOM 1267 CD GLU B 190 21.879 28.584 52.254 1.00 17.57 C ATOM 1268 OE1 GLU B 190 21.502 27.953 51.249 1.00 21.44 O ATOM 1269 OE2 GLU B 190 22.275 29.763 52.193 1.00 20.75 O ATOM 0 H GLU B 190 20.256 25.607 54.814 1.00 9.36 H new ATOM 0 HA GLU B 190 20.809 25.811 52.189 1.00 10.41 H new ATOM 0 HB2 GLU B 190 22.535 26.142 54.422 1.00 11.09 H new ATOM 0 HB3 GLU B 190 23.016 26.346 52.952 1.00 11.09 H new ATOM 0 HG2 GLU B 190 20.953 27.965 53.983 1.00 14.00 H new ATOM 0 HG3 GLU B 190 22.442 28.363 54.220 1.00 14.00 H new ATOM 1270 N ALA B 191 21.103 23.132 53.573 1.00 8.60 N ATOM 1271 CA ALA B 191 21.566 21.752 53.472 1.00 8.61 C ATOM 1272 C ALA B 191 21.138 21.102 52.159 1.00 7.73 C ATOM 1273 O ALA B 191 20.178 21.535 51.514 1.00 8.18 O ATOM 1274 CB ALA B 191 21.042 20.933 54.653 1.00 8.85 C ATOM 0 H ALA B 191 20.440 23.254 54.106 1.00 8.60 H new ATOM 0 HA ALA B 191 22.536 21.768 53.492 1.00 8.61 H new ATOM 0 HB1 ALA B 191 21.355 20.018 54.577 1.00 8.85 H new ATOM 0 HB2 ALA B 191 21.366 21.317 55.483 1.00 8.85 H new ATOM 0 HB3 ALA B 191 20.072 20.944 54.650 1.00 8.85 H new ATOM 1275 N ASP B 192 21.883 20.069 51.771 1.00 7.58 N ATOM 1276 CA ASP B 192 21.621 19.284 50.572 1.00 8.34 C ATOM 1277 C ASP B 192 21.865 19.958 49.224 1.00 9.29 C ATOM 1278 O ASP B 192 21.222 19.630 48.225 1.00 8.58 O ATOM 1279 CB ASP B 192 20.203 18.716 50.643 1.00 8.43 C ATOM 1280 CG ASP B 192 19.980 17.892 51.900 1.00 10.02 C ATOM 1281 OD1 ASP B 192 20.790 16.971 52.156 1.00 9.21 O ATOM 1282 OD2 ASP B 192 19.004 18.165 52.633 1.00 8.11 O ATOM 0 H ASP B 192 22.572 19.800 52.210 1.00 7.58 H new ATOM 0 HA ASP B 192 22.295 18.586 50.587 1.00 8.34 H new ATOM 0 HB2 ASP B 192 19.563 19.444 50.617 1.00 8.43 H new ATOM 0 HB3 ASP B 192 20.037 18.164 49.862 1.00 8.43 H new ATOM 1283 N PHE B 193 22.809 20.893 49.204 1.00 9.00 N ATOM 1284 CA PHE B 193 23.193 21.585 47.977 1.00 9.10 C ATOM 1285 C PHE B 193 24.610 21.142 47.621 1.00 9.02 C ATOM 1286 O PHE B 193 25.442 20.927 48.508 1.00 8.27 O ATOM 1287 CB PHE B 193 23.208 23.106 48.184 1.00 8.10 C ATOM 1288 CG PHE B 193 21.867 23.768 48.029 1.00 10.90 C ATOM 1289 CD1 PHE B 193 21.474 24.293 46.802 1.00 10.59 C ATOM 1290 CD2 PHE B 193 21.009 23.899 49.120 1.00 10.05 C ATOM 1291 CE1 PHE B 193 20.246 24.947 46.661 1.00 11.59 C ATOM 1292 CE2 PHE B 193 19.780 24.549 48.990 1.00 11.66 C ATOM 1293 CZ PHE B 193 19.399 25.075 47.759 1.00 11.25 C ATOM 0 H PHE B 193 23.245 21.145 49.901 1.00 9.00 H new ATOM 0 HA PHE B 193 22.556 21.371 47.277 1.00 9.10 H new ATOM 0 HB2 PHE B 193 23.550 23.297 49.071 1.00 8.10 H new ATOM 0 HB3 PHE B 193 23.827 23.501 47.550 1.00 8.10 H new ATOM 0 HD1 PHE B 193 22.036 24.208 46.066 1.00 10.59 H new ATOM 0 HD2 PHE B 193 21.258 23.549 49.945 1.00 10.05 H new ATOM 0 HE1 PHE B 193 19.996 25.296 45.836 1.00 11.59 H new ATOM 0 HE2 PHE B 193 19.217 24.630 49.725 1.00 11.66 H new ATOM 0 HZ PHE B 193 18.582 25.510 47.670 1.00 11.25 H new ATOM 1294 N LEU B 194 24.876 20.998 46.327 1.00 8.33 N ATOM 1295 CA LEU B 194 26.201 20.633 45.842 1.00 9.53 C ATOM 1296 C LEU B 194 26.512 21.582 44.695 1.00 10.00 C ATOM 1297 O LEU B 194 25.727 21.692 43.752 1.00 9.97 O ATOM 1298 CB LEU B 194 26.227 19.185 45.334 1.00 11.22 C ATOM 1299 CG LEU B 194 27.521 18.603 44.729 1.00 13.40 C ATOM 1300 CD1 LEU B 194 27.817 19.228 43.364 1.00 11.63 C ATOM 1301 CD2 LEU B 194 28.674 18.824 45.680 1.00 13.93 C ATOM 0 H LEU B 194 24.292 21.109 45.705 1.00 8.33 H new ATOM 0 HA LEU B 194 26.854 20.699 46.556 1.00 9.53 H new ATOM 0 HB2 LEU B 194 25.974 18.614 46.076 1.00 11.22 H new ATOM 0 HB3 LEU B 194 25.532 19.102 44.662 1.00 11.22 H new ATOM 0 HG LEU B 194 27.401 17.650 44.596 1.00 13.40 H new ATOM 0 HD11 LEU B 194 28.633 18.848 43.004 1.00 11.63 H new ATOM 0 HD12 LEU B 194 27.081 19.046 42.758 1.00 11.63 H new ATOM 0 HD13 LEU B 194 27.924 20.187 43.463 1.00 11.63 H new ATOM 0 HD21 LEU B 194 29.485 18.457 45.296 1.00 13.93 H new ATOM 0 HD22 LEU B 194 28.790 19.775 45.832 1.00 13.93 H new ATOM 0 HD23 LEU B 194 28.487 18.382 46.523 1.00 13.93 H new ATOM 1302 N TYR B 195 27.637 22.286 44.790 1.00 8.60 N ATOM 1303 CA TYR B 195 28.049 23.204 43.736 1.00 8.19 C ATOM 1304 C TYR B 195 29.301 22.650 43.082 1.00 7.44 C ATOM 1305 O TYR B 195 30.337 22.510 43.733 1.00 8.54 O ATOM 1306 CB TYR B 195 28.365 24.599 44.289 1.00 11.10 C ATOM 1307 CG TYR B 195 27.212 25.272 44.986 1.00 13.90 C ATOM 1308 CD1 TYR B 195 26.848 24.912 46.282 1.00 15.15 C ATOM 1309 CD2 TYR B 195 26.470 26.262 44.342 1.00 17.19 C ATOM 1310 CE1 TYR B 195 25.772 25.524 46.922 1.00 18.89 C ATOM 1311 CE2 TYR B 195 25.391 26.877 44.972 1.00 18.77 C ATOM 1312 CZ TYR B 195 25.050 26.505 46.259 1.00 19.18 C ATOM 1313 OH TYR B 195 23.989 27.115 46.882 1.00 24.32 O ATOM 0 H TYR B 195 28.176 22.245 45.459 1.00 8.60 H new ATOM 0 HA TYR B 195 27.321 23.287 43.101 1.00 8.19 H new ATOM 0 HB2 TYR B 195 29.106 24.528 44.910 1.00 11.10 H new ATOM 0 HB3 TYR B 195 28.661 25.164 43.558 1.00 11.10 H new ATOM 0 HD1 TYR B 195 27.331 24.253 46.727 1.00 15.15 H new ATOM 0 HD2 TYR B 195 26.700 26.516 43.477 1.00 17.19 H new ATOM 0 HE1 TYR B 195 25.540 25.276 47.788 1.00 18.89 H new ATOM 0 HE2 TYR B 195 24.903 27.534 44.530 1.00 18.77 H new ATOM 0 HH TYR B 195 23.780 27.812 46.462 1.00 24.32 H new ATOM 1314 N ALA B 196 29.202 22.318 41.802 1.00 7.13 N ATOM 1315 CA ALA B 196 30.350 21.798 41.077 1.00 5.75 C ATOM 1316 C ALA B 196 30.871 22.930 40.211 1.00 6.49 C ATOM 1317 O ALA B 196 30.372 23.159 39.104 1.00 6.51 O ATOM 1318 CB ALA B 196 29.945 20.600 40.213 1.00 6.65 C ATOM 0 H ALA B 196 28.482 22.386 41.337 1.00 7.13 H new ATOM 0 HA ALA B 196 31.035 21.488 41.690 1.00 5.75 H new ATOM 0 HB1 ALA B 196 30.722 20.267 39.737 1.00 6.65 H new ATOM 0 HB2 ALA B 196 29.587 19.898 40.779 1.00 6.65 H new ATOM 0 HB3 ALA B 196 29.269 20.875 39.574 1.00 6.65 H new ATOM 1319 N TYR B 197 31.859 23.652 40.732 1.00 5.26 N ATOM 1320 CA TYR B 197 32.458 24.769 40.009 1.00 6.35 C ATOM 1321 C TYR B 197 33.559 24.297 39.074 1.00 6.82 C ATOM 1322 O TYR B 197 34.337 23.402 39.407 1.00 5.79 O ATOM 1323 CB TYR B 197 33.043 25.787 40.986 1.00 7.98 C ATOM 1324 CG TYR B 197 32.014 26.544 41.785 1.00 10.81 C ATOM 1325 CD1 TYR B 197 31.301 27.600 41.222 1.00 9.92 C ATOM 1326 CD2 TYR B 197 31.776 26.223 43.120 1.00 10.90 C ATOM 1327 CE1 TYR B 197 30.380 28.325 41.977 1.00 13.17 C ATOM 1328 CE2 TYR B 197 30.861 26.937 43.879 1.00 13.11 C ATOM 1329 CZ TYR B 197 30.168 27.987 43.305 1.00 11.86 C ATOM 1330 OH TYR B 197 29.276 28.703 44.072 1.00 13.68 O ATOM 0 H TYR B 197 32.199 23.509 41.509 1.00 5.26 H new ATOM 0 HA TYR B 197 31.755 25.182 39.484 1.00 6.35 H new ATOM 0 HB2 TYR B 197 33.638 25.327 41.599 1.00 7.98 H new ATOM 0 HB3 TYR B 197 33.583 26.422 40.490 1.00 7.98 H new ATOM 0 HD1 TYR B 197 31.441 27.824 40.330 1.00 9.92 H new ATOM 0 HD2 TYR B 197 32.239 25.517 43.509 1.00 10.90 H new ATOM 0 HE1 TYR B 197 29.911 29.030 41.593 1.00 13.17 H new ATOM 0 HE2 TYR B 197 30.714 26.711 44.769 1.00 13.11 H new ATOM 0 HH TYR B 197 29.307 29.514 43.855 1.00 13.68 H new ATOM 1331 N SER B 198 33.631 24.930 37.911 1.00 7.35 N ATOM 1332 CA SER B 198 34.620 24.589 36.903 1.00 7.30 C ATOM 1333 C SER B 198 36.019 25.040 37.285 1.00 7.28 C ATOM 1334 O SER B 198 37.006 24.515 36.772 1.00 5.91 O ATOM 1335 CB SER B 198 34.260 25.259 35.580 1.00 8.23 C ATOM 1336 OG SER B 198 34.383 26.675 35.695 1.00 9.82 O ATOM 0 H SER B 198 33.105 25.572 37.685 1.00 7.35 H new ATOM 0 HA SER B 198 34.616 23.622 36.825 1.00 7.30 H new ATOM 0 HB2 SER B 198 34.842 24.933 34.876 1.00 8.23 H new ATOM 0 HB3 SER B 198 33.353 25.026 35.328 1.00 8.23 H new ATOM 0 HG SER B 198 34.829 26.971 35.048 1.00 9.82 H new ATOM 1337 N THR B 199 36.106 26.021 38.177 1.00 8.00 N ATOM 1338 CA THR B 199 37.404 26.564 38.545 1.00 8.45 C ATOM 1339 C THR B 199 37.472 27.010 40.002 1.00 8.54 C ATOM 1340 O THR B 199 36.449 27.168 40.666 1.00 8.14 O ATOM 1341 CB THR B 199 37.740 27.758 37.617 1.00 8.48 C ATOM 1342 OG1 THR B 199 39.124 28.106 37.740 1.00 9.13 O ATOM 1343 CG2 THR B 199 36.878 28.958 37.969 1.00 8.00 C ATOM 0 H THR B 199 35.434 26.381 38.575 1.00 8.00 H new ATOM 0 HA THR B 199 38.055 25.853 38.439 1.00 8.45 H new ATOM 0 HB THR B 199 37.558 27.496 36.701 1.00 8.48 H new ATOM 0 HG1 THR B 199 39.328 28.661 37.144 1.00 9.13 H new ATOM 0 HG21 THR B 199 37.098 29.698 37.382 1.00 8.00 H new ATOM 0 HG22 THR B 199 35.942 28.727 37.861 1.00 8.00 H new ATOM 0 HG23 THR B 199 37.043 29.216 38.889 1.00 8.00 H new ATOM 1344 N ALA B 200 38.690 27.222 40.485 1.00 8.89 N ATOM 1345 CA ALA B 200 38.917 27.644 41.863 1.00 10.06 C ATOM 1346 C ALA B 200 38.422 29.067 42.110 1.00 9.77 C ATOM 1347 O ALA B 200 38.327 29.873 41.186 1.00 9.02 O ATOM 1348 CB ALA B 200 40.405 27.549 42.191 1.00 9.04 C ATOM 0 H ALA B 200 39.409 27.125 40.024 1.00 8.89 H new ATOM 0 HA ALA B 200 38.412 27.052 42.442 1.00 10.06 H new ATOM 0 HB1 ALA B 200 40.553 27.830 43.107 1.00 9.04 H new ATOM 0 HB2 ALA B 200 40.703 26.632 42.082 1.00 9.04 H new ATOM 0 HB3 ALA B 200 40.906 28.124 41.592 1.00 9.04 H new ATOM 1349 N PRO B 201 38.090 29.391 43.369 1.00 10.27 N ATOM 1350 CA PRO B 201 37.613 30.738 43.685 1.00 9.99 C ATOM 1351 C PRO B 201 38.595 31.811 43.203 1.00 9.26 C ATOM 1352 O PRO B 201 39.805 31.685 43.403 1.00 9.83 O ATOM 1353 CB PRO B 201 37.501 30.711 45.210 1.00 12.19 C ATOM 1354 CG PRO B 201 37.133 29.282 45.488 1.00 11.64 C ATOM 1355 CD PRO B 201 38.068 28.530 44.566 1.00 12.08 C ATOM 0 HA PRO B 201 36.776 30.961 43.248 1.00 9.99 H new ATOM 0 HB2 PRO B 201 38.336 30.958 45.637 1.00 12.19 H new ATOM 0 HB3 PRO B 201 36.825 31.327 45.533 1.00 12.19 H new ATOM 0 HG2 PRO B 201 37.273 29.046 46.418 1.00 11.64 H new ATOM 0 HG3 PRO B 201 36.202 29.101 45.286 1.00 11.64 H new ATOM 0 HD2 PRO B 201 38.951 28.426 44.953 1.00 12.08 H new ATOM 0 HD3 PRO B 201 37.739 27.640 44.365 1.00 12.08 H new ATOM 1356 N GLY B 202 38.065 32.851 42.564 1.00 9.29 N ATOM 1357 CA GLY B 202 38.888 33.949 42.081 1.00 8.79 C ATOM 1358 C GLY B 202 39.607 33.763 40.755 1.00 9.82 C ATOM 1359 O GLY B 202 40.279 34.687 40.290 1.00 11.32 O ATOM 0 H GLY B 202 37.225 32.937 42.401 1.00 9.29 H new ATOM 0 HA2 GLY B 202 38.324 34.735 42.007 1.00 8.79 H new ATOM 0 HA3 GLY B 202 39.555 34.142 42.758 1.00 8.79 H new ATOM 1360 N TYR B 203 39.458 32.595 40.133 1.00 9.30 N ATOM 1361 CA TYR B 203 40.141 32.303 38.871 1.00 10.02 C ATOM 1362 C TYR B 203 39.284 32.285 37.611 1.00 9.61 C ATOM 1363 O TYR B 203 38.068 32.117 37.672 1.00 9.94 O ATOM 1364 CB TYR B 203 40.861 30.948 38.958 1.00 9.33 C ATOM 1365 CG TYR B 203 42.127 30.959 39.784 1.00 8.48 C ATOM 1366 CD1 TYR B 203 42.078 30.960 41.178 1.00 8.70 C ATOM 1367 CD2 TYR B 203 43.375 30.996 39.167 1.00 9.55 C ATOM 1368 CE1 TYR B 203 43.249 30.999 41.938 1.00 9.42 C ATOM 1369 CE2 TYR B 203 44.551 31.038 39.914 1.00 8.69 C ATOM 1370 CZ TYR B 203 44.480 31.039 41.296 1.00 9.63 C ATOM 1371 OH TYR B 203 45.646 31.087 42.028 1.00 12.33 O ATOM 0 H TYR B 203 38.964 31.955 40.426 1.00 9.30 H new ATOM 0 HA TYR B 203 40.747 33.054 38.772 1.00 10.02 H new ATOM 0 HB2 TYR B 203 40.250 30.294 39.333 1.00 9.33 H new ATOM 0 HB3 TYR B 203 41.077 30.652 38.060 1.00 9.33 H new ATOM 0 HD1 TYR B 203 41.254 30.934 41.608 1.00 8.70 H new ATOM 0 HD2 TYR B 203 43.425 30.993 38.238 1.00 9.55 H new ATOM 0 HE1 TYR B 203 43.205 30.998 42.867 1.00 9.42 H new ATOM 0 HE2 TYR B 203 45.377 31.065 39.487 1.00 8.69 H new ATOM 0 HH TYR B 203 45.533 30.693 42.761 1.00 12.33 H new ATOM 1372 N TYR B 204 39.940 32.460 36.465 1.00 9.24 N ATOM 1373 CA TYR B 204 39.260 32.402 35.177 1.00 8.90 C ATOM 1374 C TYR B 204 38.925 30.931 34.954 1.00 7.16 C ATOM 1375 O TYR B 204 39.491 30.053 35.601 1.00 7.08 O ATOM 1376 CB TYR B 204 40.184 32.823 34.027 1.00 10.90 C ATOM 1377 CG TYR B 204 40.454 34.302 33.859 1.00 13.11 C ATOM 1378 CD1 TYR B 204 41.704 34.837 34.165 1.00 14.94 C ATOM 1379 CD2 TYR B 204 39.495 35.150 33.306 1.00 16.79 C ATOM 1380 CE1 TYR B 204 41.998 36.176 33.913 1.00 16.36 C ATOM 1381 CE2 TYR B 204 39.779 36.494 33.053 1.00 15.85 C ATOM 1382 CZ TYR B 204 41.034 36.996 33.357 1.00 18.03 C ATOM 1383 OH TYR B 204 41.334 38.315 33.093 1.00 20.46 O ATOM 0 H TYR B 204 40.785 32.614 36.414 1.00 9.24 H new ATOM 0 HA TYR B 204 38.490 32.992 35.188 1.00 8.90 H new ATOM 0 HB2 TYR B 204 41.036 32.374 34.147 1.00 10.90 H new ATOM 0 HB3 TYR B 204 39.803 32.492 33.199 1.00 10.90 H new ATOM 0 HD1 TYR B 204 42.354 34.291 34.544 1.00 14.94 H new ATOM 0 HD2 TYR B 204 38.652 34.815 33.102 1.00 16.79 H new ATOM 0 HE1 TYR B 204 42.839 36.516 34.118 1.00 16.36 H new ATOM 0 HE2 TYR B 204 39.130 37.048 32.683 1.00 15.85 H new ATOM 0 HH TYR B 204 42.163 38.398 32.988 1.00 20.46 H new ATOM 1384 N SER B 205 38.011 30.670 34.030 1.00 6.82 N ATOM 1385 CA SER B 205 37.629 29.309 33.681 1.00 8.10 C ATOM 1386 C SER B 205 37.892 29.233 32.182 1.00 8.63 C ATOM 1387 O SER B 205 37.546 30.165 31.450 1.00 7.71 O ATOM 1388 CB SER B 205 36.149 29.065 33.979 1.00 5.54 C ATOM 1389 OG SER B 205 35.791 27.729 33.669 1.00 8.90 O ATOM 0 H SER B 205 37.594 31.277 33.587 1.00 6.82 H new ATOM 0 HA SER B 205 38.119 28.642 34.186 1.00 8.10 H new ATOM 0 HB2 SER B 205 35.969 29.245 34.915 1.00 5.54 H new ATOM 0 HB3 SER B 205 35.604 29.679 33.462 1.00 5.54 H new ATOM 0 HG SER B 205 36.484 27.283 33.508 1.00 8.90 H new ATOM 1390 N TRP B 206 38.506 28.140 31.731 1.00 7.66 N ATOM 1391 CA TRP B 206 38.850 27.980 30.319 1.00 7.93 C ATOM 1392 C TRP B 206 37.881 27.185 29.451 1.00 9.36 C ATOM 1393 O TRP B 206 37.291 26.194 29.882 1.00 8.35 O ATOM 1394 CB TRP B 206 40.248 27.366 30.184 1.00 8.72 C ATOM 1395 CG TRP B 206 41.342 28.262 30.674 1.00 9.33 C ATOM 1396 CD1 TRP B 206 41.884 28.289 31.923 1.00 10.44 C ATOM 1397 CD2 TRP B 206 41.998 29.292 29.927 1.00 10.46 C ATOM 1398 NE1 TRP B 206 42.842 29.275 32.003 1.00 11.39 N ATOM 1399 CE2 TRP B 206 42.930 29.905 30.791 1.00 11.70 C ATOM 1400 CE3 TRP B 206 41.887 29.758 28.610 1.00 11.83 C ATOM 1401 CZ2 TRP B 206 43.748 30.964 30.381 1.00 13.51 C ATOM 1402 CZ3 TRP B 206 42.701 30.811 28.203 1.00 12.94 C ATOM 1403 CH2 TRP B 206 43.619 31.400 29.087 1.00 12.77 C ATOM 0 H TRP B 206 38.733 27.477 32.229 1.00 7.66 H new ATOM 0 HA TRP B 206 38.804 28.886 29.975 1.00 7.93 H new ATOM 0 HB2 TRP B 206 40.277 26.532 30.679 1.00 8.72 H new ATOM 0 HB3 TRP B 206 40.410 27.149 29.253 1.00 8.72 H new ATOM 0 HD1 TRP B 206 41.642 27.724 32.621 1.00 10.44 H new ATOM 0 HE1 TRP B 206 43.309 29.464 32.700 1.00 11.39 H new ATOM 0 HE3 TRP B 206 41.281 29.371 28.020 1.00 11.83 H new ATOM 0 HZ2 TRP B 206 44.356 31.357 30.964 1.00 13.51 H new ATOM 0 HZ3 TRP B 206 42.636 31.130 27.332 1.00 12.94 H new ATOM 0 HH2 TRP B 206 44.152 32.102 28.788 1.00 12.77 H new ATOM 1404 N ARG B 207 37.761 27.627 28.205 1.00 10.10 N ATOM 1405 CA ARG B 207 36.878 27.015 27.227 1.00 11.38 C ATOM 1406 C ARG B 207 37.560 26.937 25.863 1.00 12.28 C ATOM 1407 O ARG B 207 38.125 27.926 25.387 1.00 10.81 O ATOM 1408 CB ARG B 207 35.594 27.849 27.128 1.00 13.32 C ATOM 1409 CG ARG B 207 34.683 27.531 25.955 1.00 15.14 C ATOM 1410 CD ARG B 207 33.337 28.236 26.131 1.00 16.86 C ATOM 1411 NE ARG B 207 33.512 29.644 26.479 1.00 16.11 N ATOM 1412 CZ ARG B 207 33.945 30.578 25.638 1.00 16.53 C ATOM 1413 NH1 ARG B 207 34.243 30.265 24.385 1.00 15.33 N ATOM 1414 NH2 ARG B 207 34.108 31.825 26.063 1.00 17.75 N ATOM 0 H ARG B 207 38.198 28.302 27.901 1.00 10.10 H new ATOM 0 HA ARG B 207 36.663 26.112 27.508 1.00 11.38 H new ATOM 0 HB2 ARG B 207 35.089 27.732 27.948 1.00 13.32 H new ATOM 0 HB3 ARG B 207 35.841 28.786 27.078 1.00 13.32 H new ATOM 0 HG2 ARG B 207 35.099 27.815 25.126 1.00 15.14 H new ATOM 0 HG3 ARG B 207 34.549 26.573 25.891 1.00 15.14 H new ATOM 0 HD2 ARG B 207 32.824 28.166 25.311 1.00 16.86 H new ATOM 0 HD3 ARG B 207 32.826 27.791 26.825 1.00 16.86 H new ATOM 0 HE ARG B 207 33.322 29.885 27.282 1.00 16.11 H new ATOM 0 HH11 ARG B 207 34.157 29.454 24.112 1.00 15.33 H new ATOM 0 HH12 ARG B 207 34.523 30.873 23.845 1.00 15.33 H new ATOM 0 HH21 ARG B 207 33.934 32.027 26.881 1.00 17.75 H new ATOM 0 HH22 ARG B 207 34.388 32.431 25.521 1.00 17.75 H new ATOM 1415 N ASN B 208 37.527 25.761 25.242 1.00 12.67 N ATOM 1416 CA ASN B 208 38.115 25.601 23.915 1.00 14.85 C ATOM 1417 C ASN B 208 37.028 25.991 22.915 1.00 16.96 C ATOM 1418 O ASN B 208 35.950 25.393 22.890 1.00 15.06 O ATOM 1419 CB ASN B 208 38.560 24.155 23.688 1.00 14.89 C ATOM 1420 CG ASN B 208 39.217 23.955 22.339 1.00 16.83 C ATOM 1421 OD1 ASN B 208 38.550 23.949 21.301 1.00 14.49 O ATOM 1422 ND2 ASN B 208 40.538 23.801 22.343 1.00 14.75 N ATOM 0 H ASN B 208 37.172 25.049 25.568 1.00 12.67 H new ATOM 0 HA ASN B 208 38.904 26.157 23.814 1.00 14.85 H new ATOM 0 HB2 ASN B 208 39.180 23.897 24.388 1.00 14.89 H new ATOM 0 HB3 ASN B 208 37.791 23.568 23.760 1.00 14.89 H new ATOM 0 HD21 ASN B 208 40.960 23.692 21.602 1.00 14.75 H new ATOM 0 HD22 ASN B 208 40.970 23.811 23.087 1.00 14.75 H new ATOM 1423 N SER B 209 37.313 27.001 22.100 1.00 18.68 N ATOM 1424 CA SER B 209 36.343 27.502 21.133 1.00 21.46 C ATOM 1425 C SER B 209 35.736 26.442 20.221 1.00 21.74 C ATOM 1426 O SER B 209 34.703 26.681 19.595 1.00 23.20 O ATOM 1427 CB SER B 209 36.974 28.610 20.286 1.00 22.84 C ATOM 1428 OG SER B 209 38.097 28.128 19.571 1.00 27.98 O ATOM 0 H SER B 209 38.068 27.413 22.091 1.00 18.68 H new ATOM 0 HA SER B 209 35.606 27.844 21.663 1.00 21.46 H new ATOM 0 HB2 SER B 209 36.317 28.960 19.664 1.00 22.84 H new ATOM 0 HB3 SER B 209 37.243 29.346 20.858 1.00 22.84 H new ATOM 0 HG SER B 209 38.737 28.008 20.102 1.00 27.98 H new ATOM 1429 N LYS B 210 36.358 25.270 20.155 1.00 22.05 N ATOM 1430 CA LYS B 210 35.849 24.208 19.297 1.00 22.14 C ATOM 1431 C LYS B 210 35.306 22.988 20.041 1.00 21.27 C ATOM 1432 O LYS B 210 34.235 22.480 19.702 1.00 20.14 O ATOM 1433 CB LYS B 210 36.943 23.754 18.326 1.00 24.30 C ATOM 1434 CG LYS B 210 36.503 22.654 17.372 1.00 28.65 C ATOM 1435 CD LYS B 210 37.677 22.089 16.578 1.00 32.66 C ATOM 1436 CE LYS B 210 38.668 21.370 17.486 1.00 34.72 C ATOM 1437 NZ LYS B 210 39.842 20.832 16.739 1.00 35.95 N ATOM 0 H LYS B 210 37.070 25.071 20.595 1.00 22.05 H new ATOM 0 HA LYS B 210 35.095 24.597 18.827 1.00 22.14 H new ATOM 0 HB2 LYS B 210 37.241 24.518 17.809 1.00 24.30 H new ATOM 0 HB3 LYS B 210 37.706 23.441 18.836 1.00 24.30 H new ATOM 0 HG2 LYS B 210 36.079 21.941 17.874 1.00 28.65 H new ATOM 0 HG3 LYS B 210 35.837 23.004 16.760 1.00 28.65 H new ATOM 0 HD2 LYS B 210 37.348 21.474 15.904 1.00 32.66 H new ATOM 0 HD3 LYS B 210 38.128 22.808 16.109 1.00 32.66 H new ATOM 0 HE2 LYS B 210 38.978 21.983 18.171 1.00 34.72 H new ATOM 0 HE3 LYS B 210 38.216 20.642 17.940 1.00 34.72 H new ATOM 0 HZ1 LYS B 210 40.355 20.360 17.292 1.00 35.95 H new ATOM 0 HZ2 LYS B 210 39.559 20.308 16.078 1.00 35.95 H new ATOM 0 HZ3 LYS B 210 40.313 21.507 16.401 1.00 35.95 H new ATOM 1438 N ASP B 211 36.038 22.521 21.049 1.00 18.27 N ATOM 1439 CA ASP B 211 35.632 21.334 21.800 1.00 17.55 C ATOM 1440 C ASP B 211 34.799 21.599 23.057 1.00 15.29 C ATOM 1441 O ASP B 211 34.339 20.661 23.703 1.00 16.62 O ATOM 1442 CB ASP B 211 36.866 20.521 22.200 1.00 18.94 C ATOM 1443 CG ASP B 211 37.840 20.323 21.049 1.00 22.93 C ATOM 1444 OD1 ASP B 211 37.410 19.867 19.969 1.00 22.42 O ATOM 1445 OD2 ASP B 211 39.043 20.619 21.232 1.00 24.58 O ATOM 0 H ASP B 211 36.774 22.877 21.315 1.00 18.27 H new ATOM 0 HA ASP B 211 35.054 20.848 21.191 1.00 17.55 H new ATOM 0 HB2 ASP B 211 37.321 20.970 22.930 1.00 18.94 H new ATOM 0 HB3 ASP B 211 36.584 19.654 22.532 1.00 18.94 H new ATOM 1446 N GLY B 212 34.609 22.865 23.411 1.00 13.53 N ATOM 1447 CA GLY B 212 33.841 23.172 24.606 1.00 11.01 C ATOM 1448 C GLY B 212 34.743 23.434 25.801 1.00 10.49 C ATOM 1449 O GLY B 212 35.972 23.400 25.681 1.00 10.63 O ATOM 0 H GLY B 212 34.910 23.547 22.982 1.00 13.53 H new ATOM 0 HA2 GLY B 212 33.285 23.950 24.443 1.00 11.01 H new ATOM 0 HA3 GLY B 212 33.244 22.434 24.806 1.00 11.01 H new ATOM 1450 N SER B 213 34.144 23.689 26.959 1.00 8.07 N ATOM 1451 CA SER B 213 34.924 23.974 28.162 1.00 9.09 C ATOM 1452 C SER B 213 35.630 22.732 28.691 1.00 9.38 C ATOM 1453 O SER B 213 35.130 21.611 28.565 1.00 10.17 O ATOM 1454 CB SER B 213 34.023 24.561 29.257 1.00 9.61 C ATOM 1455 OG SER B 213 33.083 23.606 29.718 1.00 6.66 O ATOM 0 H SER B 213 33.291 23.702 27.071 1.00 8.07 H new ATOM 0 HA SER B 213 35.603 24.622 27.917 1.00 9.09 H new ATOM 0 HB2 SER B 213 34.569 24.865 29.999 1.00 9.61 H new ATOM 0 HB3 SER B 213 33.555 25.338 28.912 1.00 9.61 H new ATOM 0 HG SER B 213 32.401 23.625 29.228 1.00 6.66 H new ATOM 1456 N TRP B 214 36.801 22.936 29.283 1.00 9.88 N ATOM 1457 CA TRP B 214 37.569 21.829 29.839 1.00 9.33 C ATOM 1458 C TRP B 214 36.743 21.088 30.880 1.00 7.50 C ATOM 1459 O TRP B 214 36.693 19.859 30.898 1.00 8.05 O ATOM 1460 CB TRP B 214 38.850 22.343 30.505 1.00 9.66 C ATOM 1461 CG TRP B 214 39.771 23.102 29.594 1.00 8.99 C ATOM 1462 CD1 TRP B 214 39.674 23.227 28.235 1.00 8.41 C ATOM 1463 CD2 TRP B 214 40.958 23.807 29.978 1.00 8.07 C ATOM 1464 NE1 TRP B 214 40.730 23.967 27.752 1.00 6.86 N ATOM 1465 CE2 TRP B 214 41.531 24.336 28.800 1.00 7.85 C ATOM 1466 CE3 TRP B 214 41.592 24.045 31.206 1.00 8.39 C ATOM 1467 CZ2 TRP B 214 42.712 25.087 28.811 1.00 9.70 C ATOM 1468 CZ3 TRP B 214 42.769 24.793 31.219 1.00 9.09 C ATOM 1469 CH2 TRP B 214 43.314 25.306 30.026 1.00 8.17 C ATOM 0 H TRP B 214 37.169 23.708 29.373 1.00 9.88 H new ATOM 0 HA TRP B 214 37.800 21.230 29.112 1.00 9.33 H new ATOM 0 HB2 TRP B 214 38.606 22.916 31.248 1.00 9.66 H new ATOM 0 HB3 TRP B 214 39.332 21.588 30.876 1.00 9.66 H new ATOM 0 HD1 TRP B 214 38.994 22.865 27.714 1.00 8.41 H new ATOM 0 HE1 TRP B 214 40.865 24.165 26.926 1.00 6.86 H new ATOM 0 HE3 TRP B 214 41.234 23.710 31.997 1.00 8.39 H new ATOM 0 HZ2 TRP B 214 43.076 25.425 28.025 1.00 9.70 H new ATOM 0 HZ3 TRP B 214 43.200 24.955 32.027 1.00 9.09 H new ATOM 0 HH2 TRP B 214 44.099 25.804 30.062 1.00 8.17 H new ATOM 1470 N PHE B 215 36.084 21.851 31.744 1.00 7.24 N ATOM 1471 CA PHE B 215 35.277 21.272 32.814 1.00 7.04 C ATOM 1472 C PHE B 215 34.107 20.412 32.349 1.00 5.86 C ATOM 1473 O PHE B 215 33.975 19.264 32.764 1.00 6.92 O ATOM 1474 CB PHE B 215 34.771 22.383 33.736 1.00 5.56 C ATOM 1475 CG PHE B 215 33.953 21.885 34.900 1.00 8.84 C ATOM 1476 CD1 PHE B 215 34.490 20.971 35.805 1.00 6.28 C ATOM 1477 CD2 PHE B 215 32.658 22.354 35.109 1.00 8.84 C ATOM 1478 CE1 PHE B 215 33.749 20.532 36.908 1.00 6.11 C ATOM 1479 CE2 PHE B 215 31.910 21.924 36.205 1.00 9.90 C ATOM 1480 CZ PHE B 215 32.457 21.011 37.107 1.00 5.44 C ATOM 0 H PHE B 215 36.091 22.711 31.729 1.00 7.24 H new ATOM 0 HA PHE B 215 35.869 20.666 33.286 1.00 7.04 H new ATOM 0 HB2 PHE B 215 35.531 22.881 34.076 1.00 5.56 H new ATOM 0 HB3 PHE B 215 34.235 23.003 33.217 1.00 5.56 H new ATOM 0 HD1 PHE B 215 35.352 20.649 35.674 1.00 6.28 H new ATOM 0 HD2 PHE B 215 32.287 22.961 34.510 1.00 8.84 H new ATOM 0 HE1 PHE B 215 34.118 19.923 37.506 1.00 6.11 H new ATOM 0 HE2 PHE B 215 31.047 22.246 36.334 1.00 9.90 H new ATOM 0 HZ PHE B 215 31.960 20.723 37.839 1.00 5.44 H new ATOM 1481 N ILE B 216 33.258 20.958 31.488 1.00 6.64 N ATOM 1482 CA ILE B 216 32.109 20.205 30.997 1.00 7.33 C ATOM 1483 C ILE B 216 32.532 18.982 30.186 1.00 8.19 C ATOM 1484 O ILE B 216 31.908 17.928 30.296 1.00 8.18 O ATOM 1485 CB ILE B 216 31.164 21.095 30.151 1.00 9.08 C ATOM 1486 CG1 ILE B 216 30.507 22.146 31.046 1.00 11.44 C ATOM 1487 CG2 ILE B 216 30.061 20.250 29.527 1.00 7.07 C ATOM 1488 CD1 ILE B 216 31.461 23.011 31.832 1.00 20.68 C ATOM 0 H ILE B 216 33.327 21.757 31.177 1.00 6.64 H new ATOM 0 HA ILE B 216 31.627 19.898 31.781 1.00 7.33 H new ATOM 0 HB ILE B 216 31.689 21.521 29.455 1.00 9.08 H new ATOM 0 HG12 ILE B 216 29.954 22.720 30.493 1.00 11.44 H new ATOM 0 HG13 ILE B 216 29.915 21.695 31.668 1.00 11.44 H new ATOM 0 HG21 ILE B 216 29.477 20.818 29.001 1.00 7.07 H new ATOM 0 HG22 ILE B 216 30.456 19.574 28.954 1.00 7.07 H new ATOM 0 HG23 ILE B 216 29.547 19.820 30.228 1.00 7.07 H new ATOM 0 HD11 ILE B 216 30.958 23.644 32.368 1.00 20.68 H new ATOM 0 HD12 ILE B 216 32.000 22.453 32.414 1.00 20.68 H new ATOM 0 HD13 ILE B 216 32.039 23.493 31.221 1.00 20.68 H new ATOM 1489 N GLN B 217 33.576 19.118 29.369 1.00 8.96 N ATOM 1490 CA GLN B 217 34.073 17.984 28.581 1.00 9.88 C ATOM 1491 C GLN B 217 34.410 16.861 29.555 1.00 9.77 C ATOM 1492 O GLN B 217 33.976 15.721 29.404 1.00 9.92 O ATOM 1493 CB GLN B 217 35.378 18.319 27.842 1.00 12.43 C ATOM 1494 CG GLN B 217 35.317 19.285 26.672 1.00 15.70 C ATOM 1495 CD GLN B 217 36.699 19.488 26.043 1.00 17.47 C ATOM 1496 OE1 GLN B 217 37.324 18.532 25.573 1.00 13.62 O ATOM 1497 NE2 GLN B 217 37.182 20.734 26.041 1.00 14.31 N ATOM 0 H GLN B 217 34.009 19.852 29.255 1.00 8.96 H new ATOM 0 HA GLN B 217 33.391 17.747 27.933 1.00 9.88 H new ATOM 0 HB2 GLN B 217 36.001 18.681 28.492 1.00 12.43 H new ATOM 0 HB3 GLN B 217 35.757 17.487 27.519 1.00 12.43 H new ATOM 0 HG2 GLN B 217 34.702 18.947 26.003 1.00 15.70 H new ATOM 0 HG3 GLN B 217 34.968 20.139 26.973 1.00 15.70 H new ATOM 0 HE21 GLN B 217 36.718 21.375 26.377 1.00 14.31 H new ATOM 0 HE22 GLN B 217 37.957 20.894 25.703 1.00 14.31 H new ATOM 1498 N SER B 218 35.210 17.208 30.556 1.00 8.45 N ATOM 1499 CA SER B 218 35.655 16.256 31.557 1.00 6.91 C ATOM 1500 C SER B 218 34.534 15.702 32.421 1.00 7.30 C ATOM 1501 O SER B 218 34.526 14.511 32.741 1.00 9.43 O ATOM 1502 CB SER B 218 36.727 16.902 32.430 1.00 8.01 C ATOM 1503 OG SER B 218 37.815 17.319 31.622 1.00 9.84 O ATOM 0 H SER B 218 35.510 18.006 30.672 1.00 8.45 H new ATOM 0 HA SER B 218 36.019 15.495 31.077 1.00 6.91 H new ATOM 0 HB2 SER B 218 36.355 17.662 32.904 1.00 8.01 H new ATOM 0 HB3 SER B 218 37.034 16.272 33.100 1.00 8.01 H new ATOM 0 HG SER B 218 37.649 18.075 31.296 1.00 9.84 H new ATOM 1504 N LEU B 219 33.590 16.557 32.802 1.00 6.34 N ATOM 1505 CA LEU B 219 32.470 16.115 33.625 1.00 6.79 C ATOM 1506 C LEU B 219 31.654 15.063 32.882 1.00 8.03 C ATOM 1507 O LEU B 219 31.361 14.002 33.426 1.00 5.83 O ATOM 1508 CB LEU B 219 31.559 17.292 33.988 1.00 6.34 C ATOM 1509 CG LEU B 219 30.264 16.921 34.731 1.00 8.63 C ATOM 1510 CD1 LEU B 219 30.589 16.237 36.057 1.00 8.75 C ATOM 1511 CD2 LEU B 219 29.445 18.181 34.974 1.00 8.89 C ATOM 0 H LEU B 219 33.579 17.392 32.596 1.00 6.34 H new ATOM 0 HA LEU B 219 32.832 15.733 34.440 1.00 6.79 H new ATOM 0 HB2 LEU B 219 32.062 17.913 34.537 1.00 6.34 H new ATOM 0 HB3 LEU B 219 31.323 17.762 33.173 1.00 6.34 H new ATOM 0 HG LEU B 219 29.750 16.303 34.188 1.00 8.63 H new ATOM 0 HD11 LEU B 219 29.765 16.009 36.514 1.00 8.75 H new ATOM 0 HD12 LEU B 219 31.099 15.429 35.888 1.00 8.75 H new ATOM 0 HD13 LEU B 219 31.110 16.838 36.612 1.00 8.75 H new ATOM 0 HD21 LEU B 219 28.627 17.950 35.442 1.00 8.89 H new ATOM 0 HD22 LEU B 219 29.960 18.804 35.511 1.00 8.89 H new ATOM 0 HD23 LEU B 219 29.225 18.593 34.124 1.00 8.89 H new ATOM 1512 N CYS B 220 31.287 15.357 31.636 1.00 7.36 N ATOM 1513 CA CYS B 220 30.498 14.407 30.860 1.00 8.02 C ATOM 1514 C CYS B 220 31.239 13.088 30.652 1.00 8.89 C ATOM 1515 O CYS B 220 30.647 12.012 30.763 1.00 9.43 O ATOM 1516 CB CYS B 220 30.106 15.019 29.509 1.00 9.21 C ATOM 1517 SG CYS B 220 28.930 16.409 29.647 1.00 9.23 S ATOM 0 H CYS B 220 31.481 16.089 31.228 1.00 7.36 H new ATOM 0 HA CYS B 220 29.694 14.212 31.366 1.00 8.02 H new ATOM 0 HB2 CYS B 220 30.907 15.327 29.058 1.00 9.21 H new ATOM 0 HB3 CYS B 220 29.714 14.329 28.951 1.00 9.21 H new ATOM 0 HG CYS B 220 29.232 17.268 28.866 1.00 9.23 H new ATOM 1518 N ALA B 221 32.533 13.167 30.359 1.00 7.96 N ATOM 1519 CA ALA B 221 33.327 11.964 30.147 1.00 8.69 C ATOM 1520 C ALA B 221 33.361 11.092 31.403 1.00 8.84 C ATOM 1521 O ALA B 221 33.217 9.875 31.324 1.00 7.22 O ATOM 1522 CB ALA B 221 34.739 12.336 29.729 1.00 8.64 C ATOM 0 H ALA B 221 32.968 13.905 30.279 1.00 7.96 H new ATOM 0 HA ALA B 221 32.910 11.451 29.438 1.00 8.69 H new ATOM 0 HB1 ALA B 221 35.259 11.529 29.591 1.00 8.64 H new ATOM 0 HB2 ALA B 221 34.709 12.846 28.905 1.00 8.64 H new ATOM 0 HB3 ALA B 221 35.152 12.871 30.425 1.00 8.64 H new ATOM 1523 N MET B 222 33.542 11.712 32.566 1.00 9.29 N ATOM 1524 CA MET B 222 33.600 10.946 33.808 1.00 10.00 C ATOM 1525 C MET B 222 32.232 10.397 34.223 1.00 10.74 C ATOM 1526 O MET B 222 32.146 9.321 34.819 1.00 9.33 O ATOM 1527 CB MET B 222 34.218 11.794 34.928 1.00 9.86 C ATOM 1528 CG MET B 222 35.679 12.197 34.654 1.00 7.63 C ATOM 1529 SD MET B 222 36.819 10.780 34.509 1.00 10.31 S ATOM 1530 CE MET B 222 36.840 10.509 32.717 1.00 12.25 C ATOM 0 H MET B 222 33.632 12.562 32.658 1.00 9.29 H new ATOM 0 HA MET B 222 34.168 10.176 33.647 1.00 10.00 H new ATOM 0 HB2 MET B 222 33.686 12.596 35.049 1.00 9.86 H new ATOM 0 HB3 MET B 222 34.177 11.298 35.761 1.00 9.86 H new ATOM 0 HG2 MET B 222 35.715 12.715 33.835 1.00 7.63 H new ATOM 0 HG3 MET B 222 35.986 12.776 35.369 1.00 7.63 H new ATOM 0 HE1 MET B 222 37.745 10.312 32.430 1.00 12.25 H new ATOM 0 HE2 MET B 222 36.262 9.762 32.496 1.00 12.25 H new ATOM 0 HE3 MET B 222 36.524 11.307 32.265 1.00 12.25 H new ATOM 1531 N LEU B 223 31.164 11.123 33.905 1.00 9.50 N ATOM 1532 CA LEU B 223 29.821 10.644 34.234 1.00 9.59 C ATOM 1533 C LEU B 223 29.482 9.445 33.351 1.00 10.36 C ATOM 1534 O LEU B 223 28.967 8.433 33.827 1.00 9.50 O ATOM 1535 CB LEU B 223 28.778 11.751 34.030 1.00 9.57 C ATOM 1536 CG LEU B 223 28.662 12.790 35.155 1.00 8.67 C ATOM 1537 CD1 LEU B 223 27.711 13.915 34.744 1.00 9.15 C ATOM 1538 CD2 LEU B 223 28.158 12.109 36.418 1.00 8.02 C ATOM 0 H LEU B 223 31.191 11.884 33.505 1.00 9.50 H new ATOM 0 HA LEU B 223 29.805 10.381 35.168 1.00 9.59 H new ATOM 0 HB2 LEU B 223 28.986 12.217 33.205 1.00 9.57 H new ATOM 0 HB3 LEU B 223 27.911 11.334 33.910 1.00 9.57 H new ATOM 0 HG LEU B 223 29.535 13.177 35.325 1.00 8.67 H new ATOM 0 HD11 LEU B 223 27.647 14.563 35.463 1.00 9.15 H new ATOM 0 HD12 LEU B 223 28.050 14.350 33.946 1.00 9.15 H new ATOM 0 HD13 LEU B 223 26.832 13.546 34.563 1.00 9.15 H new ATOM 0 HD21 LEU B 223 28.084 12.763 37.131 1.00 8.02 H new ATOM 0 HD22 LEU B 223 27.288 11.716 36.248 1.00 8.02 H new ATOM 0 HD23 LEU B 223 28.781 11.414 36.681 1.00 8.02 H new ATOM 1539 N LYS B 224 29.777 9.548 32.060 1.00 12.16 N ATOM 1540 CA LYS B 224 29.482 8.442 31.156 1.00 13.44 C ATOM 1541 C LYS B 224 30.274 7.196 31.546 1.00 12.14 C ATOM 1542 O LYS B 224 29.784 6.075 31.419 1.00 11.68 O ATOM 1543 CB LYS B 224 29.805 8.829 29.710 1.00 14.94 C ATOM 1544 CG LYS B 224 28.943 9.958 29.175 1.00 20.21 C ATOM 1545 CD LYS B 224 29.343 10.355 27.764 1.00 24.10 C ATOM 1546 CE LYS B 224 28.585 11.592 27.310 1.00 23.77 C ATOM 1547 NZ LYS B 224 29.116 12.129 26.025 1.00 28.79 N ATOM 0 H LYS B 224 30.141 10.235 31.692 1.00 12.16 H new ATOM 0 HA LYS B 224 28.535 8.244 31.226 1.00 13.44 H new ATOM 0 HB2 LYS B 224 30.738 9.090 29.654 1.00 14.94 H new ATOM 0 HB3 LYS B 224 29.694 8.050 29.142 1.00 14.94 H new ATOM 0 HG2 LYS B 224 28.012 9.685 29.182 1.00 20.21 H new ATOM 0 HG3 LYS B 224 29.018 10.727 29.761 1.00 20.21 H new ATOM 0 HD2 LYS B 224 30.297 10.526 27.731 1.00 24.10 H new ATOM 0 HD3 LYS B 224 29.165 9.621 27.155 1.00 24.10 H new ATOM 0 HE2 LYS B 224 27.645 11.375 27.206 1.00 23.77 H new ATOM 0 HE3 LYS B 224 28.644 12.276 27.995 1.00 23.77 H new ATOM 0 HZ1 LYS B 224 28.742 12.919 25.856 1.00 28.79 H new ATOM 0 HZ2 LYS B 224 29.999 12.226 26.086 1.00 28.79 H new ATOM 0 HZ3 LYS B 224 28.925 11.563 25.365 1.00 28.79 H new ATOM 1548 N GLN B 225 31.494 7.395 32.032 1.00 10.15 N ATOM 1549 CA GLN B 225 32.341 6.271 32.416 1.00 12.01 C ATOM 1550 C GLN B 225 32.168 5.742 33.843 1.00 11.23 C ATOM 1551 O GLN B 225 32.377 4.551 34.088 1.00 10.58 O ATOM 1552 CB GLN B 225 33.816 6.636 32.181 1.00 14.15 C ATOM 1553 CG GLN B 225 34.814 5.734 32.902 1.00 18.91 C ATOM 1554 CD GLN B 225 36.253 5.981 32.478 1.00 21.22 C ATOM 1555 OE1 GLN B 225 36.647 7.113 32.186 1.00 20.69 O ATOM 1556 NE2 GLN B 225 37.051 4.918 32.454 1.00 21.05 N ATOM 0 H GLN B 225 31.850 8.170 32.147 1.00 10.15 H new ATOM 0 HA GLN B 225 32.048 5.541 31.848 1.00 12.01 H new ATOM 0 HB2 GLN B 225 33.998 6.604 31.229 1.00 14.15 H new ATOM 0 HB3 GLN B 225 33.960 7.552 32.466 1.00 14.15 H new ATOM 0 HG2 GLN B 225 34.736 5.873 33.859 1.00 18.91 H new ATOM 0 HG3 GLN B 225 34.586 4.807 32.731 1.00 18.91 H new ATOM 0 HE21 GLN B 225 36.742 4.143 32.664 1.00 21.05 H new ATOM 0 HE22 GLN B 225 37.876 5.005 32.229 1.00 21.05 H new ATOM 1557 N TYR B 226 31.762 6.597 34.777 1.00 9.04 N ATOM 1558 CA TYR B 226 31.639 6.166 36.170 1.00 9.29 C ATOM 1559 C TYR B 226 30.305 6.328 36.899 1.00 10.02 C ATOM 1560 O TYR B 226 30.184 5.906 38.054 1.00 10.55 O ATOM 1561 CB TYR B 226 32.718 6.862 37.002 1.00 9.80 C ATOM 1562 CG TYR B 226 34.127 6.523 36.588 1.00 10.61 C ATOM 1563 CD1 TYR B 226 34.646 5.245 36.795 1.00 12.36 C ATOM 1564 CD2 TYR B 226 34.948 7.482 35.996 1.00 11.82 C ATOM 1565 CE1 TYR B 226 35.950 4.929 36.425 1.00 12.30 C ATOM 1566 CE2 TYR B 226 36.255 7.175 35.619 1.00 13.79 C ATOM 1567 CZ TYR B 226 36.746 5.896 35.839 1.00 13.44 C ATOM 1568 OH TYR B 226 38.035 5.587 35.476 1.00 18.16 O ATOM 0 H TYR B 226 31.555 7.419 34.631 1.00 9.04 H new ATOM 0 HA TYR B 226 31.733 5.204 36.093 1.00 9.29 H new ATOM 0 HB2 TYR B 226 32.594 7.822 36.937 1.00 9.80 H new ATOM 0 HB3 TYR B 226 32.599 6.623 37.934 1.00 9.80 H new ATOM 0 HD1 TYR B 226 34.111 4.593 37.187 1.00 12.36 H new ATOM 0 HD2 TYR B 226 34.619 8.340 35.850 1.00 11.82 H new ATOM 0 HE1 TYR B 226 36.284 4.073 36.571 1.00 12.30 H new ATOM 0 HE2 TYR B 226 36.793 7.822 35.223 1.00 13.79 H new ATOM 0 HH TYR B 226 38.082 4.772 35.276 1.00 18.16 H new ATOM 1569 N ALA B 227 29.310 6.932 36.257 1.00 8.50 N ATOM 1570 CA ALA B 227 28.022 7.139 36.922 1.00 8.51 C ATOM 1571 C ALA B 227 27.380 5.859 37.461 1.00 9.02 C ATOM 1572 O ALA B 227 26.669 5.891 38.465 1.00 9.83 O ATOM 1573 CB ALA B 227 27.053 7.857 35.983 1.00 10.44 C ATOM 0 H ALA B 227 29.355 7.226 35.450 1.00 8.50 H new ATOM 0 HA ALA B 227 28.210 7.690 37.698 1.00 8.51 H new ATOM 0 HB1 ALA B 227 26.204 7.989 36.433 1.00 10.44 H new ATOM 0 HB2 ALA B 227 27.423 8.718 35.733 1.00 10.44 H new ATOM 0 HB3 ALA B 227 26.916 7.320 35.187 1.00 10.44 H new ATOM 1574 N ASP B 228 27.622 4.728 36.810 1.00 9.76 N ATOM 1575 CA ASP B 228 27.028 3.482 37.282 1.00 12.76 C ATOM 1576 C ASP B 228 27.999 2.689 38.142 1.00 13.82 C ATOM 1577 O ASP B 228 27.751 1.519 38.436 1.00 15.36 O ATOM 1578 CB ASP B 228 26.573 2.626 36.094 1.00 13.56 C ATOM 1579 CG ASP B 228 27.725 2.204 35.199 1.00 16.42 C ATOM 1580 OD1 ASP B 228 28.845 2.719 35.384 1.00 18.46 O ATOM 1581 OD2 ASP B 228 27.510 1.362 34.303 1.00 19.07 O ATOM 0 H ASP B 228 28.115 4.659 36.109 1.00 9.76 H new ATOM 0 HA ASP B 228 26.260 3.713 37.828 1.00 12.76 H new ATOM 0 HB2 ASP B 228 26.119 1.835 36.425 1.00 13.56 H new ATOM 0 HB3 ASP B 228 25.927 3.125 35.570 1.00 13.56 H new ATOM 1582 N LYS B 229 29.088 3.330 38.567 1.00 13.95 N ATOM 1583 CA LYS B 229 30.108 2.647 39.362 1.00 14.91 C ATOM 1584 C LYS B 229 30.620 3.381 40.603 1.00 14.75 C ATOM 1585 O LYS B 229 31.028 2.736 41.568 1.00 15.55 O ATOM 1586 CB LYS B 229 31.327 2.335 38.486 1.00 17.87 C ATOM 1587 CG LYS B 229 31.025 1.728 37.128 1.00 20.60 C ATOM 1588 CD LYS B 229 32.314 1.546 36.335 1.00 21.03 C ATOM 1589 CE LYS B 229 32.050 0.970 34.949 1.00 21.37 C ATOM 1590 NZ LYS B 229 31.222 1.874 34.110 1.00 20.32 N ATOM 0 H LYS B 229 29.255 4.158 38.406 1.00 13.95 H new ATOM 0 HA LYS B 229 29.648 1.856 39.685 1.00 14.91 H new ATOM 0 HB2 LYS B 229 31.826 3.156 38.351 1.00 17.87 H new ATOM 0 HB3 LYS B 229 31.906 1.727 38.972 1.00 17.87 H new ATOM 0 HG2 LYS B 229 30.583 0.872 37.240 1.00 20.60 H new ATOM 0 HG3 LYS B 229 30.414 2.301 36.639 1.00 20.60 H new ATOM 0 HD2 LYS B 229 32.764 2.401 36.249 1.00 21.03 H new ATOM 0 HD3 LYS B 229 32.912 0.957 36.821 1.00 21.03 H new ATOM 0 HE2 LYS B 229 32.896 0.804 34.504 1.00 21.37 H new ATOM 0 HE3 LYS B 229 31.603 0.114 35.037 1.00 21.37 H new ATOM 0 HZ1 LYS B 229 31.176 1.551 33.282 1.00 20.32 H new ATOM 0 HZ2 LYS B 229 30.402 1.929 34.452 1.00 20.32 H new ATOM 0 HZ3 LYS B 229 31.591 2.684 34.092 1.00 20.32 H new ATOM 1591 N LEU B 230 30.618 4.712 40.580 1.00 10.84 N ATOM 1592 CA LEU B 230 31.150 5.482 41.704 1.00 12.12 C ATOM 1593 C LEU B 230 30.209 6.506 42.323 1.00 9.85 C ATOM 1594 O LEU B 230 29.297 7.005 41.673 1.00 8.79 O ATOM 1595 CB LEU B 230 32.423 6.216 41.270 1.00 12.00 C ATOM 1596 CG LEU B 230 33.587 5.399 40.706 1.00 15.29 C ATOM 1597 CD1 LEU B 230 34.674 6.356 40.209 1.00 15.43 C ATOM 1598 CD2 LEU B 230 34.137 4.461 41.784 1.00 14.33 C ATOM 0 H LEU B 230 30.316 5.186 39.929 1.00 10.84 H new ATOM 0 HA LEU B 230 31.311 4.816 42.391 1.00 12.12 H new ATOM 0 HB2 LEU B 230 32.171 6.870 40.600 1.00 12.00 H new ATOM 0 HB3 LEU B 230 32.754 6.709 42.037 1.00 12.00 H new ATOM 0 HG LEU B 230 33.281 4.856 39.963 1.00 15.29 H new ATOM 0 HD11 LEU B 230 35.416 5.845 39.850 1.00 15.43 H new ATOM 0 HD12 LEU B 230 34.310 6.928 39.515 1.00 15.43 H new ATOM 0 HD13 LEU B 230 34.986 6.903 40.947 1.00 15.43 H new ATOM 0 HD21 LEU B 230 34.874 3.946 41.420 1.00 14.33 H new ATOM 0 HD22 LEU B 230 34.450 4.984 42.539 1.00 14.33 H new ATOM 0 HD23 LEU B 230 33.436 3.858 42.077 1.00 14.33 H new ATOM 1599 N GLU B 231 30.456 6.819 43.591 1.00 9.23 N ATOM 1600 CA GLU B 231 29.669 7.810 44.309 1.00 9.74 C ATOM 1601 C GLU B 231 30.010 9.147 43.638 1.00 9.12 C ATOM 1602 O GLU B 231 31.123 9.328 43.146 1.00 8.95 O ATOM 1603 CB GLU B 231 30.065 7.801 45.790 1.00 10.14 C ATOM 1604 CG GLU B 231 29.132 8.563 46.722 1.00 10.83 C ATOM 1605 CD GLU B 231 29.441 10.044 46.770 1.00 11.02 C ATOM 1606 OE1 GLU B 231 30.638 10.389 46.694 1.00 8.57 O ATOM 1607 OE2 GLU B 231 28.496 10.858 46.899 1.00 13.22 O ATOM 0 H GLU B 231 31.084 6.462 44.057 1.00 9.23 H new ATOM 0 HA GLU B 231 28.715 7.638 44.276 1.00 9.74 H new ATOM 0 HB2 GLU B 231 30.115 6.880 46.090 1.00 10.14 H new ATOM 0 HB3 GLU B 231 30.956 8.175 45.873 1.00 10.14 H new ATOM 0 HG2 GLU B 231 28.215 8.436 46.431 1.00 10.83 H new ATOM 0 HG3 GLU B 231 29.200 8.193 47.616 1.00 10.83 H new ATOM 1608 N PHE B 232 29.057 10.073 43.612 1.00 10.16 N ATOM 1609 CA PHE B 232 29.244 11.366 42.946 1.00 9.83 C ATOM 1610 C PHE B 232 30.504 12.154 43.311 1.00 9.81 C ATOM 1611 O PHE B 232 31.165 12.707 42.430 1.00 9.19 O ATOM 1612 CB PHE B 232 27.997 12.239 43.157 1.00 10.92 C ATOM 1613 CG PHE B 232 27.949 13.466 42.282 1.00 10.53 C ATOM 1614 CD1 PHE B 232 28.430 13.431 40.972 1.00 11.40 C ATOM 1615 CD2 PHE B 232 27.376 14.647 42.752 1.00 11.77 C ATOM 1616 CE1 PHE B 232 28.341 14.554 40.142 1.00 10.55 C ATOM 1617 CE2 PHE B 232 27.281 15.779 41.928 1.00 11.37 C ATOM 1618 CZ PHE B 232 27.765 15.729 40.621 1.00 9.97 C ATOM 0 H PHE B 232 28.285 9.974 43.978 1.00 10.16 H new ATOM 0 HA PHE B 232 29.374 11.139 42.012 1.00 9.83 H new ATOM 0 HB2 PHE B 232 27.206 11.703 42.989 1.00 10.92 H new ATOM 0 HB3 PHE B 232 27.961 12.515 44.086 1.00 10.92 H new ATOM 0 HD1 PHE B 232 28.815 12.650 40.646 1.00 11.40 H new ATOM 0 HD2 PHE B 232 27.052 14.685 43.623 1.00 11.77 H new ATOM 0 HE1 PHE B 232 28.666 14.516 39.271 1.00 10.55 H new ATOM 0 HE2 PHE B 232 26.896 16.561 42.253 1.00 11.37 H new ATOM 0 HZ PHE B 232 27.704 16.477 40.071 1.00 9.97 H new ATOM 1619 N MET B 233 30.840 12.225 44.594 1.00 8.28 N ATOM 1620 CA MET B 233 32.032 12.967 44.993 1.00 8.73 C ATOM 1621 C MET B 233 33.291 12.346 44.378 1.00 8.08 C ATOM 1622 O MET B 233 34.221 13.055 43.986 1.00 7.73 O ATOM 1623 CB MET B 233 32.161 13.000 46.520 1.00 9.16 C ATOM 1624 CG MET B 233 31.051 13.764 47.221 1.00 10.49 C ATOM 1625 SD MET B 233 30.979 15.500 46.704 1.00 15.91 S ATOM 1626 CE MET B 233 32.351 16.178 47.669 1.00 18.90 C ATOM 0 H MET B 233 30.403 11.859 45.238 1.00 8.28 H new ATOM 0 HA MET B 233 31.941 13.876 44.665 1.00 8.73 H new ATOM 0 HB2 MET B 233 32.174 12.089 46.853 1.00 9.16 H new ATOM 0 HB3 MET B 233 33.013 13.400 46.754 1.00 9.16 H new ATOM 0 HG2 MET B 233 30.200 13.338 47.035 1.00 10.49 H new ATOM 0 HG3 MET B 233 31.186 13.720 48.180 1.00 10.49 H new ATOM 0 HE1 MET B 233 32.357 17.145 47.589 1.00 18.90 H new ATOM 0 HE2 MET B 233 32.244 15.932 48.601 1.00 18.90 H new ATOM 0 HE3 MET B 233 33.189 15.821 47.335 1.00 18.90 H new ATOM 1627 N HIS B 234 33.321 11.022 44.286 1.00 7.63 N ATOM 1628 CA HIS B 234 34.479 10.355 43.715 1.00 7.09 C ATOM 1629 C HIS B 234 34.526 10.573 42.210 1.00 7.63 C ATOM 1630 O HIS B 234 35.600 10.602 41.615 1.00 8.45 O ATOM 1631 CB HIS B 234 34.453 8.873 44.084 1.00 8.99 C ATOM 1632 CG HIS B 234 34.678 8.630 45.546 1.00 11.47 C ATOM 1633 ND1 HIS B 234 34.570 7.385 46.125 1.00 11.53 N ATOM 1634 CD2 HIS B 234 35.013 9.482 46.545 1.00 10.65 C ATOM 1635 CE1 HIS B 234 34.829 7.478 47.417 1.00 12.46 C ATOM 1636 NE2 HIS B 234 35.101 8.740 47.698 1.00 13.18 N ATOM 0 H HIS B 234 32.689 10.499 44.545 1.00 7.63 H new ATOM 0 HA HIS B 234 35.291 10.737 44.083 1.00 7.09 H new ATOM 0 HB2 HIS B 234 33.597 8.496 43.826 1.00 8.99 H new ATOM 0 HB3 HIS B 234 35.134 8.406 43.575 1.00 8.99 H new ATOM 0 HD2 HIS B 234 35.156 10.397 46.465 1.00 10.65 H new ATOM 0 HE1 HIS B 234 34.821 6.775 48.025 1.00 12.46 H new ATOM 0 HE2 HIS B 234 35.301 9.047 48.476 1.00 13.18 H new ATOM 1637 N ILE B 235 33.359 10.745 41.598 1.00 8.67 N ATOM 1638 CA ILE B 235 33.297 11.006 40.167 1.00 7.88 C ATOM 1639 C ILE B 235 33.869 12.401 39.944 1.00 8.49 C ATOM 1640 O ILE B 235 34.735 12.604 39.089 1.00 9.07 O ATOM 1641 CB ILE B 235 31.840 10.985 39.640 1.00 8.09 C ATOM 1642 CG1 ILE B 235 31.257 9.574 39.765 1.00 7.50 C ATOM 1643 CG2 ILE B 235 31.807 11.449 38.186 1.00 8.44 C ATOM 1644 CD1 ILE B 235 29.818 9.453 39.288 1.00 7.41 C ATOM 0 H ILE B 235 32.595 10.714 41.992 1.00 8.67 H new ATOM 0 HA ILE B 235 33.794 10.319 39.695 1.00 7.88 H new ATOM 0 HB ILE B 235 31.300 11.590 40.172 1.00 8.09 H new ATOM 0 HG12 ILE B 235 31.809 8.960 39.256 1.00 7.50 H new ATOM 0 HG13 ILE B 235 31.305 9.296 40.693 1.00 7.50 H new ATOM 0 HG21 ILE B 235 30.893 11.434 37.862 1.00 8.44 H new ATOM 0 HG22 ILE B 235 32.156 12.352 38.126 1.00 8.44 H new ATOM 0 HG23 ILE B 235 32.351 10.856 37.645 1.00 8.44 H new ATOM 0 HD11 ILE B 235 29.517 8.537 39.396 1.00 7.41 H new ATOM 0 HD12 ILE B 235 29.253 10.043 39.811 1.00 7.41 H new ATOM 0 HD13 ILE B 235 29.765 9.702 38.352 1.00 7.41 H new ATOM 1645 N LEU B 236 33.394 13.361 40.732 1.00 7.35 N ATOM 1646 CA LEU B 236 33.858 14.735 40.605 1.00 8.08 C ATOM 1647 C LEU B 236 35.354 14.871 40.889 1.00 7.63 C ATOM 1648 O LEU B 236 36.008 15.768 40.359 1.00 7.83 O ATOM 1649 CB LEU B 236 33.055 15.658 41.527 1.00 8.22 C ATOM 1650 CG LEU B 236 31.602 15.923 41.111 1.00 7.84 C ATOM 1651 CD1 LEU B 236 30.928 16.828 42.134 1.00 8.21 C ATOM 1652 CD2 LEU B 236 31.575 16.572 39.731 1.00 6.50 C ATOM 0 H LEU B 236 32.804 13.236 41.345 1.00 7.35 H new ATOM 0 HA LEU B 236 33.715 15.001 39.683 1.00 8.08 H new ATOM 0 HB2 LEU B 236 33.053 15.274 42.418 1.00 8.22 H new ATOM 0 HB3 LEU B 236 33.517 16.509 41.586 1.00 8.22 H new ATOM 0 HG LEU B 236 31.119 15.083 41.073 1.00 7.84 H new ATOM 0 HD11 LEU B 236 30.010 16.992 41.866 1.00 8.21 H new ATOM 0 HD12 LEU B 236 30.939 16.398 43.003 1.00 8.21 H new ATOM 0 HD13 LEU B 236 31.405 17.671 42.185 1.00 8.21 H new ATOM 0 HD21 LEU B 236 30.656 16.739 39.470 1.00 6.50 H new ATOM 0 HD22 LEU B 236 32.060 17.411 39.758 1.00 6.50 H new ATOM 0 HD23 LEU B 236 31.992 15.979 39.086 1.00 6.50 H new ATOM 1653 N THR B 237 35.892 13.983 41.720 1.00 7.35 N ATOM 1654 CA THR B 237 37.315 14.016 42.036 1.00 6.83 C ATOM 1655 C THR B 237 38.089 13.589 40.789 1.00 7.77 C ATOM 1656 O THR B 237 39.172 14.106 40.514 1.00 6.41 O ATOM 1657 CB THR B 237 37.654 13.078 43.215 1.00 5.98 C ATOM 1658 OG1 THR B 237 36.925 13.496 44.378 1.00 9.51 O ATOM 1659 CG2 THR B 237 39.141 13.129 43.530 1.00 5.85 C ATOM 0 H THR B 237 35.452 13.356 42.110 1.00 7.35 H new ATOM 0 HA THR B 237 37.562 14.915 42.302 1.00 6.83 H new ATOM 0 HB THR B 237 37.411 12.172 42.968 1.00 5.98 H new ATOM 0 HG1 THR B 237 36.103 13.376 44.252 1.00 9.51 H new ATOM 0 HG21 THR B 237 39.335 12.535 44.272 1.00 5.85 H new ATOM 0 HG22 THR B 237 39.647 12.849 42.751 1.00 5.85 H new ATOM 0 HG23 THR B 237 39.391 14.036 43.768 1.00 5.85 H new ATOM 1660 N ARG B 238 37.529 12.645 40.037 1.00 8.03 N ATOM 1661 CA ARG B 238 38.159 12.194 38.797 1.00 9.68 C ATOM 1662 C ARG B 238 38.157 13.370 37.817 1.00 9.26 C ATOM 1663 O ARG B 238 39.100 13.547 37.044 1.00 8.02 O ATOM 1664 CB ARG B 238 37.381 11.032 38.168 1.00 11.56 C ATOM 1665 CG ARG B 238 37.302 9.760 39.002 1.00 15.87 C ATOM 1666 CD ARG B 238 38.676 9.182 39.291 1.00 18.15 C ATOM 1667 NE ARG B 238 38.585 7.827 39.833 1.00 22.57 N ATOM 1668 CZ ARG B 238 38.697 6.716 39.109 1.00 22.48 C ATOM 1669 NH1 ARG B 238 38.912 6.786 37.801 1.00 23.03 N ATOM 1670 NH2 ARG B 238 38.590 5.532 39.693 1.00 21.67 N ATOM 0 H ARG B 238 36.787 12.253 40.225 1.00 8.03 H new ATOM 0 HA ARG B 238 39.059 11.889 38.991 1.00 9.68 H new ATOM 0 HB2 ARG B 238 36.478 11.333 37.981 1.00 11.56 H new ATOM 0 HB3 ARG B 238 37.790 10.815 37.315 1.00 11.56 H new ATOM 0 HG2 ARG B 238 36.850 9.951 39.839 1.00 15.87 H new ATOM 0 HG3 ARG B 238 36.767 9.100 38.534 1.00 15.87 H new ATOM 0 HD2 ARG B 238 39.201 9.171 38.476 1.00 18.15 H new ATOM 0 HD3 ARG B 238 39.142 9.753 39.921 1.00 18.15 H new ATOM 0 HE ARG B 238 38.450 7.742 40.678 1.00 22.57 H new ATOM 0 HH11 ARG B 238 38.980 7.552 37.417 1.00 23.03 H new ATOM 0 HH12 ARG B 238 38.984 6.065 37.338 1.00 23.03 H new ATOM 0 HH21 ARG B 238 38.448 5.481 40.540 1.00 21.67 H new ATOM 0 HH22 ARG B 238 38.662 4.814 39.225 1.00 21.67 H new ATOM 1671 N VAL B 239 37.084 14.162 37.841 1.00 7.68 N ATOM 1672 CA VAL B 239 36.982 15.326 36.956 1.00 7.07 C ATOM 1673 C VAL B 239 38.080 16.318 37.324 1.00 6.25 C ATOM 1674 O VAL B 239 38.751 16.869 36.450 1.00 6.70 O ATOM 1675 CB VAL B 239 35.606 16.032 37.082 1.00 7.04 C ATOM 1676 CG1 VAL B 239 35.583 17.290 36.206 1.00 5.25 C ATOM 1677 CG2 VAL B 239 34.487 15.076 36.663 1.00 5.00 C ATOM 0 H VAL B 239 36.408 14.044 38.359 1.00 7.68 H new ATOM 0 HA VAL B 239 37.078 15.018 36.041 1.00 7.07 H new ATOM 0 HB VAL B 239 35.466 16.291 38.006 1.00 7.04 H new ATOM 0 HG11 VAL B 239 34.721 17.727 36.289 1.00 5.25 H new ATOM 0 HG12 VAL B 239 36.282 17.898 36.494 1.00 5.25 H new ATOM 0 HG13 VAL B 239 35.732 17.042 35.280 1.00 5.25 H new ATOM 0 HG21 VAL B 239 33.631 15.524 36.744 1.00 5.00 H new ATOM 0 HG22 VAL B 239 34.622 14.803 35.742 1.00 5.00 H new ATOM 0 HG23 VAL B 239 34.498 14.294 37.236 1.00 5.00 H new ATOM 1678 N ASN B 240 38.262 16.551 38.620 1.00 5.68 N ATOM 1679 CA ASN B 240 39.311 17.462 39.078 1.00 6.42 C ATOM 1680 C ASN B 240 40.670 17.042 38.506 1.00 7.01 C ATOM 1681 O ASN B 240 41.408 17.867 37.966 1.00 7.88 O ATOM 1682 CB ASN B 240 39.401 17.460 40.605 1.00 6.88 C ATOM 1683 CG ASN B 240 38.370 18.359 41.263 1.00 7.58 C ATOM 1684 OD1 ASN B 240 37.515 18.951 40.597 1.00 6.72 O ATOM 1685 ND2 ASN B 240 38.446 18.463 42.588 1.00 5.00 N ATOM 0 H ASN B 240 37.794 16.196 39.248 1.00 5.68 H new ATOM 0 HA ASN B 240 39.085 18.353 38.768 1.00 6.42 H new ATOM 0 HB2 ASN B 240 39.286 16.553 40.929 1.00 6.88 H new ATOM 0 HB3 ASN B 240 40.289 17.746 40.872 1.00 6.88 H new ATOM 0 HD21 ASN B 240 37.886 18.958 43.013 1.00 5.00 H new ATOM 0 HD22 ASN B 240 39.055 18.036 43.019 1.00 5.00 H new ATOM 1686 N ARG B 241 41.001 15.759 38.625 1.00 6.94 N ATOM 1687 CA ARG B 241 42.285 15.266 38.132 1.00 8.16 C ATOM 1688 C ARG B 241 42.429 15.371 36.615 1.00 8.20 C ATOM 1689 O ARG B 241 43.487 15.755 36.112 1.00 8.30 O ATOM 1690 CB ARG B 241 42.518 13.813 38.578 1.00 9.30 C ATOM 1691 CG ARG B 241 43.927 13.305 38.255 1.00 11.56 C ATOM 1692 CD ARG B 241 44.314 12.050 39.042 1.00 12.69 C ATOM 1693 NE ARG B 241 43.689 10.824 38.547 1.00 14.40 N ATOM 1694 CZ ARG B 241 42.723 10.155 39.176 1.00 17.79 C ATOM 1695 NH1 ARG B 241 42.246 10.585 40.341 1.00 17.00 N ATOM 1696 NH2 ARG B 241 42.247 9.036 38.648 1.00 17.61 N ATOM 0 H ARG B 241 40.500 15.160 38.986 1.00 6.94 H new ATOM 0 HA ARG B 241 42.961 15.841 38.523 1.00 8.16 H new ATOM 0 HB2 ARG B 241 42.367 13.745 39.534 1.00 9.30 H new ATOM 0 HB3 ARG B 241 41.866 13.239 38.146 1.00 9.30 H new ATOM 0 HG2 ARG B 241 43.986 13.115 37.306 1.00 11.56 H new ATOM 0 HG3 ARG B 241 44.568 14.008 38.443 1.00 11.56 H new ATOM 0 HD2 ARG B 241 45.278 11.945 39.013 1.00 12.69 H new ATOM 0 HD3 ARG B 241 44.070 12.174 39.972 1.00 12.69 H new ATOM 0 HE ARG B 241 43.965 10.512 37.795 1.00 14.40 H new ATOM 0 HH11 ARG B 241 42.561 11.302 40.696 1.00 17.00 H new ATOM 0 HH12 ARG B 241 41.623 10.146 40.739 1.00 17.00 H new ATOM 0 HH21 ARG B 241 42.562 8.745 37.903 1.00 17.61 H new ATOM 0 HH22 ARG B 241 41.624 8.602 39.051 1.00 17.61 H new ATOM 1697 N LYS B 242 41.369 15.033 35.889 1.00 7.91 N ATOM 1698 CA LYS B 242 41.397 15.099 34.429 1.00 7.42 C ATOM 1699 C LYS B 242 41.697 16.519 33.945 1.00 7.75 C ATOM 1700 O LYS B 242 42.569 16.732 33.096 1.00 7.73 O ATOM 1701 CB LYS B 242 40.053 14.629 33.859 1.00 6.43 C ATOM 1702 CG LYS B 242 40.023 14.535 32.340 1.00 10.52 C ATOM 1703 CD LYS B 242 38.689 13.988 31.844 1.00 14.98 C ATOM 1704 CE LYS B 242 38.591 14.031 30.323 1.00 15.65 C ATOM 1705 NZ LYS B 242 39.631 13.188 29.664 1.00 18.73 N ATOM 0 H LYS B 242 40.623 14.763 36.221 1.00 7.91 H new ATOM 0 HA LYS B 242 42.105 14.515 34.114 1.00 7.42 H new ATOM 0 HB2 LYS B 242 39.841 13.759 34.232 1.00 6.43 H new ATOM 0 HB3 LYS B 242 39.358 15.240 34.150 1.00 6.43 H new ATOM 0 HG2 LYS B 242 40.178 15.413 31.957 1.00 10.52 H new ATOM 0 HG3 LYS B 242 40.743 13.961 32.035 1.00 10.52 H new ATOM 0 HD2 LYS B 242 38.580 13.074 32.150 1.00 14.98 H new ATOM 0 HD3 LYS B 242 37.964 14.504 32.230 1.00 14.98 H new ATOM 0 HE2 LYS B 242 37.711 13.728 30.049 1.00 15.65 H new ATOM 0 HE3 LYS B 242 38.682 14.948 30.021 1.00 15.65 H new ATOM 0 HZ1 LYS B 242 39.415 13.063 28.810 1.00 18.73 H new ATOM 0 HZ2 LYS B 242 40.420 13.597 29.713 1.00 18.73 H new ATOM 0 HZ3 LYS B 242 39.680 12.400 30.076 1.00 18.73 H new ATOM 1706 N VAL B 243 40.974 17.491 34.492 1.00 6.50 N ATOM 1707 CA VAL B 243 41.164 18.882 34.109 1.00 6.27 C ATOM 1708 C VAL B 243 42.540 19.401 34.503 1.00 6.79 C ATOM 1709 O VAL B 243 43.229 20.028 33.701 1.00 6.97 O ATOM 1710 CB VAL B 243 40.087 19.787 34.750 1.00 5.48 C ATOM 1711 CG1 VAL B 243 40.420 21.253 34.511 1.00 6.23 C ATOM 1712 CG2 VAL B 243 38.718 19.456 34.163 1.00 6.08 C ATOM 0 H VAL B 243 40.367 17.364 35.088 1.00 6.50 H new ATOM 0 HA VAL B 243 41.085 18.912 33.143 1.00 6.27 H new ATOM 0 HB VAL B 243 40.069 19.626 35.706 1.00 5.48 H new ATOM 0 HG11 VAL B 243 39.738 21.810 34.917 1.00 6.23 H new ATOM 0 HG12 VAL B 243 41.282 21.458 34.906 1.00 6.23 H new ATOM 0 HG13 VAL B 243 40.453 21.426 33.557 1.00 6.23 H new ATOM 0 HG21 VAL B 243 38.046 20.026 34.568 1.00 6.08 H new ATOM 0 HG22 VAL B 243 38.732 19.604 33.204 1.00 6.08 H new ATOM 0 HG23 VAL B 243 38.505 18.527 34.343 1.00 6.08 H new ATOM 1713 N ALA B 244 42.938 19.129 35.741 1.00 7.12 N ATOM 1714 CA ALA B 244 44.225 19.586 36.253 1.00 9.34 C ATOM 1715 C ALA B 244 45.440 19.016 35.520 1.00 8.38 C ATOM 1716 O ALA B 244 46.443 19.709 35.335 1.00 8.58 O ATOM 1717 CB ALA B 244 44.329 19.260 37.755 1.00 9.81 C ATOM 0 H ALA B 244 42.473 18.677 36.305 1.00 7.12 H new ATOM 0 HA ALA B 244 44.247 20.543 36.099 1.00 9.34 H new ATOM 0 HB1 ALA B 244 45.185 19.565 38.094 1.00 9.81 H new ATOM 0 HB2 ALA B 244 43.614 19.708 38.234 1.00 9.81 H new ATOM 0 HB3 ALA B 244 44.253 18.302 37.884 1.00 9.81 H new ATOM 1718 N THR B 245 45.358 17.759 35.101 1.00 9.56 N ATOM 1719 CA THR B 245 46.495 17.133 34.436 1.00 11.08 C ATOM 1720 C THR B 245 46.525 17.219 32.915 1.00 11.88 C ATOM 1721 O THR B 245 47.572 17.465 32.322 1.00 13.73 O ATOM 1722 CB THR B 245 46.602 15.641 34.814 1.00 12.39 C ATOM 1723 OG1 THR B 245 45.467 14.936 34.302 1.00 10.67 O ATOM 1724 CG2 THR B 245 46.651 15.474 36.326 1.00 12.85 C ATOM 0 H THR B 245 44.665 17.257 35.190 1.00 9.56 H new ATOM 0 HA THR B 245 47.245 17.656 34.759 1.00 11.08 H new ATOM 0 HB THR B 245 47.418 15.283 34.430 1.00 12.39 H new ATOM 0 HG1 THR B 245 44.791 15.116 34.768 1.00 10.67 H new ATOM 0 HG21 THR B 245 46.718 14.532 36.546 1.00 12.85 H new ATOM 0 HG22 THR B 245 47.423 15.944 36.679 1.00 12.85 H new ATOM 0 HG23 THR B 245 45.843 15.840 36.719 1.00 12.85 H new ATOM 1725 N GLU B 246 45.375 17.030 32.284 1.00 12.18 N ATOM 1726 CA GLU B 246 45.302 17.022 30.831 1.00 12.77 C ATOM 1727 C GLU B 246 45.205 18.341 30.075 1.00 14.35 C ATOM 1728 O GLU B 246 45.541 18.392 28.891 1.00 15.49 O ATOM 1729 CB GLU B 246 44.146 16.116 30.403 1.00 15.72 C ATOM 1730 CG GLU B 246 44.407 14.629 30.644 1.00 19.14 C ATOM 1731 CD GLU B 246 43.152 13.788 30.501 1.00 20.15 C ATOM 1732 OE1 GLU B 246 42.310 14.119 29.639 1.00 19.13 O ATOM 1733 OE2 GLU B 246 43.014 12.793 31.245 1.00 20.93 O ATOM 0 H GLU B 246 44.622 16.904 32.680 1.00 12.18 H new ATOM 0 HA GLU B 246 46.182 16.703 30.576 1.00 12.77 H new ATOM 0 HB2 GLU B 246 43.346 16.378 30.884 1.00 15.72 H new ATOM 0 HB3 GLU B 246 43.968 16.256 29.460 1.00 15.72 H new ATOM 0 HG2 GLU B 246 45.076 14.315 30.016 1.00 19.14 H new ATOM 0 HG3 GLU B 246 44.774 14.508 31.534 1.00 19.14 H new ATOM 1734 N PHE B 247 44.769 19.407 30.737 1.00 12.61 N ATOM 1735 CA PHE B 247 44.597 20.685 30.053 1.00 11.87 C ATOM 1736 C PHE B 247 45.556 21.816 30.414 1.00 11.12 C ATOM 1737 O PHE B 247 45.944 21.983 31.566 1.00 9.75 O ATOM 1738 CB PHE B 247 43.161 21.173 30.261 1.00 11.74 C ATOM 1739 CG PHE B 247 42.118 20.285 29.633 1.00 11.12 C ATOM 1740 CD1 PHE B 247 41.750 20.455 28.305 1.00 11.46 C ATOM 1741 CD2 PHE B 247 41.499 19.282 30.375 1.00 11.13 C ATOM 1742 CE1 PHE B 247 40.776 19.641 27.723 1.00 11.10 C ATOM 1743 CE2 PHE B 247 40.525 18.462 29.803 1.00 10.78 C ATOM 1744 CZ PHE B 247 40.163 18.643 28.477 1.00 10.85 C ATOM 0 H PHE B 247 44.569 19.413 31.573 1.00 12.61 H new ATOM 0 HA PHE B 247 44.808 20.482 29.128 1.00 11.87 H new ATOM 0 HB2 PHE B 247 42.986 21.240 31.213 1.00 11.74 H new ATOM 0 HB3 PHE B 247 43.076 22.067 29.894 1.00 11.74 H new ATOM 0 HD1 PHE B 247 42.157 21.119 27.797 1.00 11.46 H new ATOM 0 HD2 PHE B 247 41.738 19.157 31.265 1.00 11.13 H new ATOM 0 HE1 PHE B 247 40.537 19.765 26.833 1.00 11.10 H new ATOM 0 HE2 PHE B 247 40.120 17.796 30.310 1.00 10.78 H new ATOM 0 HZ PHE B 247 39.513 18.100 28.092 1.00 10.85 H new ATOM 1745 N GLU B 248 45.921 22.594 29.400 1.00 11.99 N ATOM 1746 CA GLU B 248 46.795 23.751 29.558 1.00 9.84 C ATOM 1747 C GLU B 248 46.419 24.710 28.433 1.00 10.16 C ATOM 1748 O GLU B 248 46.295 24.301 27.281 1.00 8.07 O ATOM 1749 CB GLU B 248 48.271 23.354 29.453 1.00 10.76 C ATOM 1750 CG GLU B 248 49.209 24.541 29.590 1.00 11.08 C ATOM 1751 CD GLU B 248 50.671 24.153 29.682 1.00 13.84 C ATOM 1752 OE1 GLU B 248 51.502 24.890 29.116 1.00 14.85 O ATOM 1753 OE2 GLU B 248 50.991 23.130 30.328 1.00 13.19 O ATOM 0 H GLU B 248 45.664 22.463 28.590 1.00 11.99 H new ATOM 0 HA GLU B 248 46.682 24.156 30.432 1.00 9.84 H new ATOM 0 HB2 GLU B 248 48.477 22.703 30.142 1.00 10.76 H new ATOM 0 HB3 GLU B 248 48.426 22.921 28.599 1.00 10.76 H new ATOM 0 HG2 GLU B 248 49.086 25.130 28.829 1.00 11.08 H new ATOM 0 HG3 GLU B 248 48.966 25.046 30.382 1.00 11.08 H new ATOM 1754 N SER B 249 46.232 25.982 28.760 1.00 8.59 N ATOM 1755 CA SER B 249 45.822 26.945 27.745 1.00 10.66 C ATOM 1756 C SER B 249 46.867 27.252 26.687 1.00 10.77 C ATOM 1757 O SER B 249 48.071 27.090 26.898 1.00 8.49 O ATOM 1758 CB SER B 249 45.397 28.261 28.394 1.00 9.88 C ATOM 1759 OG SER B 249 46.530 28.973 28.857 1.00 11.00 O ATOM 0 H SER B 249 46.335 26.305 29.550 1.00 8.59 H new ATOM 0 HA SER B 249 45.082 26.513 27.291 1.00 10.66 H new ATOM 0 HB2 SER B 249 44.908 28.801 27.753 1.00 9.88 H new ATOM 0 HB3 SER B 249 44.795 28.084 29.134 1.00 9.88 H new ATOM 0 HG SER B 249 46.452 29.785 28.657 1.00 11.00 H new ATOM 1760 N PHE B 250 46.372 27.692 25.537 1.00 9.72 N ATOM 1761 CA PHE B 250 47.214 28.098 24.426 1.00 10.28 C ATOM 1762 C PHE B 250 46.683 29.459 23.999 1.00 11.13 C ATOM 1763 O PHE B 250 45.491 29.609 23.721 1.00 12.01 O ATOM 1764 CB PHE B 250 47.098 27.133 23.247 1.00 11.42 C ATOM 1765 CG PHE B 250 47.886 27.566 22.044 1.00 12.93 C ATOM 1766 CD1 PHE B 250 49.235 27.250 21.928 1.00 12.76 C ATOM 1767 CD2 PHE B 250 47.288 28.331 21.046 1.00 15.24 C ATOM 1768 CE1 PHE B 250 49.982 27.690 20.830 1.00 13.73 C ATOM 1769 CE2 PHE B 250 48.026 28.778 19.945 1.00 15.36 C ATOM 1770 CZ PHE B 250 49.375 28.456 19.839 1.00 13.50 C ATOM 0 H PHE B 250 45.529 27.763 25.380 1.00 9.72 H new ATOM 0 HA PHE B 250 48.147 28.114 24.692 1.00 10.28 H new ATOM 0 HB2 PHE B 250 47.401 26.255 23.525 1.00 11.42 H new ATOM 0 HB3 PHE B 250 46.164 27.046 23.000 1.00 11.42 H new ATOM 0 HD1 PHE B 250 49.646 26.740 22.588 1.00 12.76 H new ATOM 0 HD2 PHE B 250 46.386 28.548 21.112 1.00 15.24 H new ATOM 0 HE1 PHE B 250 50.883 27.471 20.762 1.00 13.73 H new ATOM 0 HE2 PHE B 250 47.616 29.289 19.285 1.00 15.36 H new ATOM 0 HZ PHE B 250 49.869 28.751 19.109 1.00 13.50 H new ATOM 1771 N SER B 251 47.559 30.453 23.950 1.00 9.76 N ATOM 1772 CA SER B 251 47.137 31.783 23.550 1.00 9.90 C ATOM 1773 C SER B 251 48.261 32.558 22.898 1.00 10.58 C ATOM 1774 O SER B 251 49.422 32.444 23.293 1.00 10.88 O ATOM 1775 CB SER B 251 46.627 32.566 24.761 1.00 10.04 C ATOM 1776 OG SER B 251 46.236 33.871 24.382 1.00 12.61 O ATOM 0 H SER B 251 48.394 30.379 24.143 1.00 9.76 H new ATOM 0 HA SER B 251 46.424 31.673 22.902 1.00 9.90 H new ATOM 0 HB2 SER B 251 45.875 32.101 25.160 1.00 10.04 H new ATOM 0 HB3 SER B 251 47.321 32.614 25.437 1.00 10.04 H new ATOM 0 HG SER B 251 45.398 33.916 24.356 1.00 12.61 H new ATOM 1777 N PHE B 252 47.912 33.341 21.887 1.00 11.29 N ATOM 1778 CA PHE B 252 48.898 34.159 21.204 1.00 12.93 C ATOM 1779 C PHE B 252 49.319 35.277 22.158 1.00 12.61 C ATOM 1780 O PHE B 252 50.375 35.889 21.991 1.00 13.06 O ATOM 1781 CB PHE B 252 48.294 34.716 19.914 1.00 13.80 C ATOM 1782 CG PHE B 252 48.081 33.671 18.849 1.00 13.70 C ATOM 1783 CD1 PHE B 252 47.044 33.795 17.930 1.00 15.98 C ATOM 1784 CD2 PHE B 252 48.928 32.572 18.756 1.00 13.67 C ATOM 1785 CE1 PHE B 252 46.854 32.838 16.933 1.00 16.58 C ATOM 1786 CE2 PHE B 252 48.750 31.609 17.766 1.00 13.02 C ATOM 1787 CZ PHE B 252 47.711 31.742 16.852 1.00 15.65 C ATOM 0 H PHE B 252 47.111 33.412 21.582 1.00 11.29 H new ATOM 0 HA PHE B 252 49.679 33.639 20.959 1.00 12.93 H new ATOM 0 HB2 PHE B 252 47.444 35.137 20.119 1.00 13.80 H new ATOM 0 HB3 PHE B 252 48.877 35.409 19.565 1.00 13.80 H new ATOM 0 HD1 PHE B 252 46.470 34.525 17.981 1.00 15.98 H new ATOM 0 HD2 PHE B 252 49.625 32.479 19.365 1.00 13.67 H new ATOM 0 HE1 PHE B 252 46.157 32.931 16.324 1.00 16.58 H new ATOM 0 HE2 PHE B 252 49.324 30.879 17.716 1.00 13.02 H new ATOM 0 HZ PHE B 252 47.588 31.102 16.189 1.00 15.65 H new ATOM 1788 N ASP B 253 48.484 35.519 23.167 1.00 12.81 N ATOM 1789 CA ASP B 253 48.746 36.533 24.185 1.00 11.36 C ATOM 1790 C ASP B 253 49.466 35.846 25.344 1.00 11.46 C ATOM 1791 O ASP B 253 48.868 35.058 26.079 1.00 10.32 O ATOM 1792 CB ASP B 253 47.432 37.134 24.689 1.00 13.95 C ATOM 1793 CG ASP B 253 47.646 38.245 25.707 1.00 14.53 C ATOM 1794 OD1 ASP B 253 48.775 38.383 26.226 1.00 16.10 O ATOM 1795 OD2 ASP B 253 46.681 38.980 25.996 1.00 17.60 O ATOM 0 H ASP B 253 47.744 35.096 23.280 1.00 12.81 H new ATOM 0 HA ASP B 253 49.285 37.248 23.813 1.00 11.36 H new ATOM 0 HB2 ASP B 253 46.930 37.483 23.936 1.00 13.95 H new ATOM 0 HB3 ASP B 253 46.893 36.434 25.089 1.00 13.95 H new ATOM 1796 N ALA B 254 50.749 36.146 25.510 1.00 10.51 N ATOM 1797 CA ALA B 254 51.545 35.529 26.569 1.00 12.46 C ATOM 1798 C ALA B 254 50.875 35.572 27.942 1.00 13.27 C ATOM 1799 O ALA B 254 51.050 34.661 28.752 1.00 12.62 O ATOM 1800 CB ALA B 254 52.917 36.193 26.638 1.00 11.78 C ATOM 0 H ALA B 254 51.180 36.706 25.020 1.00 10.51 H new ATOM 0 HA ALA B 254 51.634 34.591 26.337 1.00 12.46 H new ATOM 0 HB1 ALA B 254 53.441 35.780 27.342 1.00 11.78 H new ATOM 0 HB2 ALA B 254 53.373 36.083 25.789 1.00 11.78 H new ATOM 0 HB3 ALA B 254 52.810 37.138 26.827 1.00 11.78 H new ATOM 1801 N THR B 255 50.111 36.628 28.206 1.00 12.91 N ATOM 1802 CA THR B 255 49.439 36.763 29.493 1.00 13.76 C ATOM 1803 C THR B 255 48.505 35.592 29.777 1.00 13.06 C ATOM 1804 O THR B 255 48.402 35.137 30.916 1.00 13.16 O ATOM 1805 CB THR B 255 48.621 38.076 29.568 1.00 14.78 C ATOM 1806 OG1 THR B 255 49.502 39.195 29.440 1.00 15.30 O ATOM 1807 CG2 THR B 255 47.882 38.174 30.902 1.00 17.50 C ATOM 0 H THR B 255 49.970 37.274 27.656 1.00 12.91 H new ATOM 0 HA THR B 255 50.141 36.776 30.162 1.00 13.76 H new ATOM 0 HB THR B 255 47.973 38.077 28.847 1.00 14.78 H new ATOM 0 HG1 THR B 255 49.449 39.506 28.661 1.00 15.30 H new ATOM 0 HG21 THR B 255 47.376 39.001 30.932 1.00 17.50 H new ATOM 0 HG22 THR B 255 47.277 37.421 30.993 1.00 17.50 H new ATOM 0 HG23 THR B 255 48.524 38.162 31.629 1.00 17.50 H new ATOM 1808 N PHE B 256 47.838 35.098 28.739 1.00 11.76 N ATOM 1809 CA PHE B 256 46.897 33.997 28.895 1.00 11.61 C ATOM 1810 C PHE B 256 47.394 32.640 28.401 1.00 11.37 C ATOM 1811 O PHE B 256 46.621 31.683 28.334 1.00 11.27 O ATOM 1812 CB PHE B 256 45.581 34.333 28.180 1.00 12.00 C ATOM 1813 CG PHE B 256 44.817 35.463 28.812 1.00 13.07 C ATOM 1814 CD1 PHE B 256 45.198 36.785 28.605 1.00 14.39 C ATOM 1815 CD2 PHE B 256 43.728 35.203 29.636 1.00 12.59 C ATOM 1816 CE1 PHE B 256 44.503 37.834 29.213 1.00 14.54 C ATOM 1817 CE2 PHE B 256 43.029 36.242 30.248 1.00 13.36 C ATOM 1818 CZ PHE B 256 43.417 37.557 30.036 1.00 13.92 C ATOM 0 H PHE B 256 47.917 35.388 27.933 1.00 11.76 H new ATOM 0 HA PHE B 256 46.775 33.905 29.853 1.00 11.61 H new ATOM 0 HB2 PHE B 256 45.773 34.561 27.257 1.00 12.00 H new ATOM 0 HB3 PHE B 256 45.019 33.542 28.166 1.00 12.00 H new ATOM 0 HD1 PHE B 256 45.924 36.973 28.055 1.00 14.39 H new ATOM 0 HD2 PHE B 256 43.462 34.324 29.781 1.00 12.59 H new ATOM 0 HE1 PHE B 256 44.766 38.714 29.068 1.00 14.54 H new ATOM 0 HE2 PHE B 256 42.303 36.054 30.798 1.00 13.36 H new ATOM 0 HZ PHE B 256 42.952 38.252 30.443 1.00 13.92 H new ATOM 1819 N HIS B 257 48.679 32.547 28.075 1.00 9.85 N ATOM 1820 CA HIS B 257 49.243 31.300 27.566 1.00 10.18 C ATOM 1821 C HIS B 257 49.817 30.351 28.623 1.00 8.08 C ATOM 1822 O HIS B 257 50.369 30.784 29.631 1.00 9.28 O ATOM 1823 CB HIS B 257 50.336 31.613 26.535 1.00 10.09 C ATOM 1824 CG HIS B 257 50.996 30.396 25.968 1.00 10.49 C ATOM 1825 ND1 HIS B 257 50.330 29.497 25.162 1.00 9.14 N ATOM 1826 CD2 HIS B 257 52.252 29.913 26.113 1.00 10.54 C ATOM 1827 CE1 HIS B 257 51.149 28.513 24.835 1.00 10.84 C ATOM 1828 NE2 HIS B 257 52.321 28.741 25.399 1.00 11.29 N ATOM 0 H HIS B 257 49.242 33.194 28.141 1.00 9.85 H new ATOM 0 HA HIS B 257 48.491 30.830 27.173 1.00 10.18 H new ATOM 0 HB2 HIS B 257 49.948 32.128 25.810 1.00 10.09 H new ATOM 0 HB3 HIS B 257 51.010 32.173 26.951 1.00 10.09 H new ATOM 0 HD2 HIS B 257 52.940 30.302 26.604 1.00 10.54 H new ATOM 0 HE1 HIS B 257 50.936 27.784 24.299 1.00 10.84 H new ATOM 0 HE2 HIS B 257 53.015 28.238 25.331 1.00 11.29 H new ATOM 1829 N ALA B 258 49.684 29.051 28.369 1.00 8.23 N ATOM 1830 CA ALA B 258 50.205 28.011 29.252 1.00 9.49 C ATOM 1831 C ALA B 258 49.655 28.051 30.671 1.00 10.16 C ATOM 1832 O ALA B 258 50.383 27.784 31.629 1.00 10.73 O ATOM 1833 CB ALA B 258 51.726 28.086 29.292 1.00 9.40 C ATOM 0 H ALA B 258 49.284 28.745 27.672 1.00 8.23 H new ATOM 0 HA ALA B 258 49.905 27.169 28.874 1.00 9.49 H new ATOM 0 HB1 ALA B 258 52.069 27.394 29.879 1.00 9.40 H new ATOM 0 HB2 ALA B 258 52.080 27.956 28.398 1.00 9.40 H new ATOM 0 HB3 ALA B 258 51.999 28.956 29.624 1.00 9.40 H new ATOM 1834 N LYS B 259 48.373 28.373 30.811 1.00 10.53 N ATOM 1835 CA LYS B 259 47.759 28.436 32.133 1.00 10.22 C ATOM 1836 C LYS B 259 47.055 27.128 32.481 1.00 10.07 C ATOM 1837 O LYS B 259 46.709 26.341 31.599 1.00 10.33 O ATOM 1838 CB LYS B 259 46.777 29.607 32.199 1.00 8.83 C ATOM 1839 CG LYS B 259 47.427 30.957 31.902 1.00 10.86 C ATOM 1840 CD LYS B 259 48.603 31.242 32.841 1.00 11.61 C ATOM 1841 CE LYS B 259 49.360 32.501 32.417 1.00 14.69 C ATOM 1842 NZ LYS B 259 50.519 32.800 33.303 1.00 15.35 N ATOM 0 H LYS B 259 47.844 28.557 30.158 1.00 10.53 H new ATOM 0 HA LYS B 259 48.462 28.575 32.787 1.00 10.22 H new ATOM 0 HB2 LYS B 259 46.058 29.455 31.566 1.00 8.83 H new ATOM 0 HB3 LYS B 259 46.376 29.635 33.082 1.00 8.83 H new ATOM 0 HG2 LYS B 259 47.736 30.972 30.983 1.00 10.86 H new ATOM 0 HG3 LYS B 259 46.765 31.661 31.990 1.00 10.86 H new ATOM 0 HD2 LYS B 259 48.277 31.348 33.748 1.00 11.61 H new ATOM 0 HD3 LYS B 259 49.208 30.484 32.844 1.00 11.61 H new ATOM 0 HE2 LYS B 259 49.674 32.394 31.505 1.00 14.69 H new ATOM 0 HE3 LYS B 259 48.752 33.256 32.421 1.00 14.69 H new ATOM 0 HZ1 LYS B 259 50.919 33.546 33.028 1.00 15.35 H new ATOM 0 HZ2 LYS B 259 50.234 32.908 34.139 1.00 15.35 H new ATOM 0 HZ3 LYS B 259 51.098 32.125 33.272 1.00 15.35 H new ATOM 1843 N LYS B 260 46.847 26.902 33.774 1.00 9.62 N ATOM 1844 CA LYS B 260 46.208 25.681 34.248 1.00 10.30 C ATOM 1845 C LYS B 260 44.890 25.970 34.950 1.00 10.37 C ATOM 1846 O LYS B 260 44.580 27.122 35.258 1.00 9.38 O ATOM 1847 CB LYS B 260 47.148 24.947 35.206 1.00 9.17 C ATOM 1848 CG LYS B 260 48.491 24.562 34.592 1.00 9.94 C ATOM 1849 CD LYS B 260 48.345 23.442 33.566 1.00 9.23 C ATOM 1850 CE LYS B 260 47.847 22.158 34.214 1.00 7.16 C ATOM 1851 NZ LYS B 260 47.791 21.026 33.243 1.00 5.37 N ATOM 0 H LYS B 260 47.071 27.450 34.398 1.00 9.62 H new ATOM 0 HA LYS B 260 46.019 25.126 33.475 1.00 10.30 H new ATOM 0 HB2 LYS B 260 47.307 25.509 35.981 1.00 9.17 H new ATOM 0 HB3 LYS B 260 46.707 24.144 35.524 1.00 9.17 H new ATOM 0 HG2 LYS B 260 48.888 25.339 34.168 1.00 9.94 H new ATOM 0 HG3 LYS B 260 49.099 24.281 35.294 1.00 9.94 H new ATOM 0 HD2 LYS B 260 47.727 23.716 32.871 1.00 9.23 H new ATOM 0 HD3 LYS B 260 49.200 23.280 33.138 1.00 9.23 H new ATOM 0 HE2 LYS B 260 48.431 21.922 34.952 1.00 7.16 H new ATOM 0 HE3 LYS B 260 46.964 22.307 34.587 1.00 7.16 H new ATOM 0 HZ1 LYS B 260 47.510 20.291 33.659 1.00 5.37 H new ATOM 0 HZ2 LYS B 260 47.227 21.227 32.584 1.00 5.37 H new ATOM 0 HZ3 LYS B 260 48.602 20.884 32.905 1.00 5.37 H new ATOM 1852 N GLN B 261 44.131 24.910 35.221 1.00 9.39 N ATOM 1853 CA GLN B 261 42.838 25.048 35.881 1.00 8.46 C ATOM 1854 C GLN B 261 42.526 23.858 36.783 1.00 9.44 C ATOM 1855 O GLN B 261 42.857 22.716 36.463 1.00 7.77 O ATOM 1856 CB GLN B 261 41.730 25.186 34.830 1.00 8.47 C ATOM 1857 CG GLN B 261 40.319 25.347 35.404 1.00 7.44 C ATOM 1858 CD GLN B 261 39.281 25.605 34.325 1.00 11.19 C ATOM 1859 OE1 GLN B 261 39.464 26.469 33.471 1.00 12.58 O ATOM 1860 NE2 GLN B 261 38.184 24.858 34.363 1.00 11.95 N ATOM 0 H GLN B 261 44.349 24.100 35.030 1.00 9.39 H new ATOM 0 HA GLN B 261 42.879 25.843 36.435 1.00 8.46 H new ATOM 0 HB2 GLN B 261 41.927 25.952 34.269 1.00 8.47 H new ATOM 0 HB3 GLN B 261 41.745 24.403 34.257 1.00 8.47 H new ATOM 0 HG2 GLN B 261 40.079 24.546 35.895 1.00 7.44 H new ATOM 0 HG3 GLN B 261 40.312 26.081 36.038 1.00 7.44 H new ATOM 0 HE21 GLN B 261 38.090 24.262 34.976 1.00 11.95 H new ATOM 0 HE22 GLN B 261 37.567 24.970 33.774 1.00 11.95 H new ATOM 1861 N ILE B 262 41.886 24.133 37.915 1.00 9.00 N ATOM 1862 CA ILE B 262 41.503 23.072 38.842 1.00 9.94 C ATOM 1863 C ILE B 262 40.053 23.307 39.281 1.00 8.46 C ATOM 1864 O ILE B 262 39.739 24.321 39.903 1.00 9.45 O ATOM 1865 CB ILE B 262 42.474 23.016 40.073 1.00 11.78 C ATOM 1866 CG1 ILE B 262 42.248 21.729 40.878 1.00 15.55 C ATOM 1867 CG2 ILE B 262 42.298 24.239 40.959 1.00 12.06 C ATOM 1868 CD1 ILE B 262 41.053 21.737 41.803 1.00 20.57 C ATOM 0 H ILE B 262 41.664 24.925 38.165 1.00 9.00 H new ATOM 0 HA ILE B 262 41.569 22.212 38.398 1.00 9.94 H new ATOM 0 HB ILE B 262 43.385 23.014 39.740 1.00 11.78 H new ATOM 0 HG12 ILE B 262 42.150 20.991 40.256 1.00 15.55 H new ATOM 0 HG13 ILE B 262 43.043 21.553 41.405 1.00 15.55 H new ATOM 0 HG21 ILE B 262 42.907 24.184 41.712 1.00 12.06 H new ATOM 0 HG22 ILE B 262 42.490 25.040 40.447 1.00 12.06 H new ATOM 0 HG23 ILE B 262 41.385 24.275 41.284 1.00 12.06 H new ATOM 0 HD11 ILE B 262 40.995 20.886 42.264 1.00 20.57 H new ATOM 0 HD12 ILE B 262 41.151 22.450 42.453 1.00 20.57 H new ATOM 0 HD13 ILE B 262 40.245 21.880 41.286 1.00 20.57 H new ATOM 1869 N PRO B 263 39.139 22.386 38.920 1.00 8.32 N ATOM 1870 CA PRO B 263 37.724 22.524 39.294 1.00 8.09 C ATOM 1871 C PRO B 263 37.569 22.597 40.813 1.00 7.53 C ATOM 1872 O PRO B 263 38.469 22.206 41.548 1.00 8.17 O ATOM 1873 CB PRO B 263 37.084 21.273 38.699 1.00 6.59 C ATOM 1874 CG PRO B 263 37.956 20.977 37.508 1.00 6.45 C ATOM 1875 CD PRO B 263 39.340 21.193 38.079 1.00 8.14 C ATOM 0 HA PRO B 263 37.309 23.337 38.966 1.00 8.09 H new ATOM 0 HB2 PRO B 263 37.079 20.537 39.331 1.00 6.59 H new ATOM 0 HB3 PRO B 263 36.163 21.430 38.439 1.00 6.59 H new ATOM 0 HG2 PRO B 263 37.833 20.071 37.183 1.00 6.45 H new ATOM 0 HG3 PRO B 263 37.772 21.572 36.765 1.00 6.45 H new ATOM 0 HD2 PRO B 263 39.643 20.430 38.596 1.00 8.14 H new ATOM 0 HD3 PRO B 263 40.000 21.345 37.385 1.00 8.14 H new ATOM 1876 N CYS B 264 36.423 23.073 41.282 1.00 9.52 N ATOM 1877 CA CYS B 264 36.208 23.226 42.715 1.00 9.19 C ATOM 1878 C CYS B 264 34.878 22.645 43.179 1.00 9.75 C ATOM 1879 O CYS B 264 33.815 23.186 42.875 1.00 9.57 O ATOM 1880 CB CYS B 264 36.288 24.718 43.070 1.00 10.04 C ATOM 1881 SG CYS B 264 36.176 25.113 44.831 1.00 10.12 S ATOM 0 H CYS B 264 35.759 23.312 40.790 1.00 9.52 H new ATOM 0 HA CYS B 264 36.901 22.727 43.176 1.00 9.19 H new ATOM 0 HB2 CYS B 264 37.125 25.070 42.729 1.00 10.04 H new ATOM 0 HB3 CYS B 264 35.575 25.183 42.605 1.00 10.04 H new ATOM 0 HG CYS B 264 35.174 24.635 45.286 1.00 10.12 H new ATOM 1882 N ILE B 265 34.951 21.539 43.918 1.00 8.88 N ATOM 1883 CA ILE B 265 33.771 20.858 44.443 1.00 8.12 C ATOM 1884 C ILE B 265 33.351 21.469 45.778 1.00 8.95 C ATOM 1885 O ILE B 265 34.133 21.474 46.728 1.00 9.89 O ATOM 1886 CB ILE B 265 34.064 19.366 44.701 1.00 8.70 C ATOM 1887 CG1 ILE B 265 34.645 18.718 43.442 1.00 10.87 C ATOM 1888 CG2 ILE B 265 32.786 18.658 45.148 1.00 9.46 C ATOM 1889 CD1 ILE B 265 35.306 17.368 43.690 1.00 12.42 C ATOM 0 H ILE B 265 35.694 21.161 44.130 1.00 8.88 H new ATOM 0 HA ILE B 265 33.069 20.956 43.781 1.00 8.12 H new ATOM 0 HB ILE B 265 34.721 19.284 45.410 1.00 8.70 H new ATOM 0 HG12 ILE B 265 33.936 18.606 42.790 1.00 10.87 H new ATOM 0 HG13 ILE B 265 35.297 19.320 43.051 1.00 10.87 H new ATOM 0 HG21 ILE B 265 32.975 17.720 45.309 1.00 9.46 H new ATOM 0 HG22 ILE B 265 32.458 19.066 45.965 1.00 9.46 H new ATOM 0 HG23 ILE B 265 32.112 18.737 44.455 1.00 9.46 H new ATOM 0 HD11 ILE B 265 35.650 17.017 42.854 1.00 12.42 H new ATOM 0 HD12 ILE B 265 36.036 17.476 44.320 1.00 12.42 H new ATOM 0 HD13 ILE B 265 34.653 16.750 44.055 1.00 12.42 H new ATOM 1890 N VAL B 266 32.123 21.973 45.860 1.00 6.92 N ATOM 1891 CA VAL B 266 31.631 22.560 47.109 1.00 6.87 C ATOM 1892 C VAL B 266 30.402 21.767 47.551 1.00 7.29 C ATOM 1893 O VAL B 266 29.313 21.931 47.000 1.00 6.96 O ATOM 1894 CB VAL B 266 31.251 24.042 46.921 1.00 7.44 C ATOM 1895 CG1 VAL B 266 30.844 24.651 48.265 1.00 6.69 C ATOM 1896 CG2 VAL B 266 32.429 24.808 46.319 1.00 6.57 C ATOM 0 H VAL B 266 31.560 21.986 45.210 1.00 6.92 H new ATOM 0 HA VAL B 266 32.331 22.519 47.780 1.00 6.87 H new ATOM 0 HB VAL B 266 30.498 24.105 46.313 1.00 7.44 H new ATOM 0 HG11 VAL B 266 30.606 25.583 48.139 1.00 6.69 H new ATOM 0 HG12 VAL B 266 30.082 24.169 48.622 1.00 6.69 H new ATOM 0 HG13 VAL B 266 31.586 24.588 48.887 1.00 6.69 H new ATOM 0 HG21 VAL B 266 32.184 25.739 46.203 1.00 6.57 H new ATOM 0 HG22 VAL B 266 33.193 24.746 46.914 1.00 6.57 H new ATOM 0 HG23 VAL B 266 32.658 24.425 45.458 1.00 6.57 H new ATOM 1897 N SER B 267 30.580 20.907 48.549 1.00 6.25 N ATOM 1898 CA SER B 267 29.483 20.075 49.011 1.00 6.25 C ATOM 1899 C SER B 267 28.868 20.387 50.362 1.00 7.72 C ATOM 1900 O SER B 267 29.552 20.461 51.385 1.00 6.21 O ATOM 1901 CB SER B 267 29.899 18.605 49.015 1.00 7.71 C ATOM 1902 OG SER B 267 28.872 17.802 49.576 1.00 5.67 O ATOM 0 H SER B 267 31.323 20.793 48.967 1.00 6.25 H new ATOM 0 HA SER B 267 28.787 20.280 48.368 1.00 6.25 H new ATOM 0 HB2 SER B 267 30.087 18.314 48.109 1.00 7.71 H new ATOM 0 HB3 SER B 267 30.718 18.496 49.524 1.00 7.71 H new ATOM 0 HG SER B 267 29.110 16.996 49.568 1.00 5.67 H new ATOM 1903 N MET B 268 27.555 20.560 50.347 1.00 6.35 N ATOM 1904 CA MET B 268 26.806 20.781 51.565 1.00 7.44 C ATOM 1905 C MET B 268 25.761 19.665 51.618 1.00 7.65 C ATOM 1906 O MET B 268 24.704 19.786 52.246 1.00 10.19 O ATOM 1907 CB MET B 268 26.201 22.187 51.564 1.00 9.17 C ATOM 1908 CG MET B 268 27.301 23.234 51.798 1.00 17.90 C ATOM 1909 SD MET B 268 26.847 24.961 51.738 1.00 24.17 S ATOM 1910 CE MET B 268 27.387 25.387 50.098 1.00 21.28 C ATOM 0 H MET B 268 27.077 20.552 49.632 1.00 6.35 H new ATOM 0 HA MET B 268 27.359 20.745 52.361 1.00 7.44 H new ATOM 0 HB2 MET B 268 25.758 22.356 50.718 1.00 9.17 H new ATOM 0 HB3 MET B 268 25.525 22.257 52.256 1.00 9.17 H new ATOM 0 HG2 MET B 268 27.695 23.061 52.667 1.00 17.90 H new ATOM 0 HG3 MET B 268 27.996 23.087 51.137 1.00 17.90 H new ATOM 0 HE1 MET B 268 27.032 26.257 49.856 1.00 21.28 H new ATOM 0 HE2 MET B 268 28.356 25.416 50.073 1.00 21.28 H new ATOM 0 HE3 MET B 268 27.068 24.721 49.469 1.00 21.28 H new ATOM 1911 N LEU B 269 26.090 18.562 50.946 1.00 6.14 N ATOM 1912 CA LEU B 269 25.229 17.383 50.924 1.00 6.97 C ATOM 1913 C LEU B 269 25.353 16.702 52.287 1.00 8.22 C ATOM 1914 O LEU B 269 26.334 16.904 53.006 1.00 5.98 O ATOM 1915 CB LEU B 269 25.664 16.417 49.818 1.00 6.57 C ATOM 1916 CG LEU B 269 25.596 16.957 48.385 1.00 6.35 C ATOM 1917 CD1 LEU B 269 25.992 15.857 47.410 1.00 5.00 C ATOM 1918 CD2 LEU B 269 24.191 17.458 48.086 1.00 5.51 C ATOM 0 H LEU B 269 26.816 18.478 50.492 1.00 6.14 H new ATOM 0 HA LEU B 269 24.311 17.641 50.747 1.00 6.97 H new ATOM 0 HB2 LEU B 269 26.576 16.139 49.997 1.00 6.57 H new ATOM 0 HB3 LEU B 269 25.110 15.623 49.871 1.00 6.57 H new ATOM 0 HG LEU B 269 26.213 17.700 48.288 1.00 6.35 H new ATOM 0 HD11 LEU B 269 25.949 16.198 46.503 1.00 5.00 H new ATOM 0 HD12 LEU B 269 26.896 15.564 47.603 1.00 5.00 H new ATOM 0 HD13 LEU B 269 25.383 15.108 47.503 1.00 5.00 H new ATOM 0 HD21 LEU B 269 24.155 17.798 47.178 1.00 5.51 H new ATOM 0 HD22 LEU B 269 23.560 16.728 48.183 1.00 5.51 H new ATOM 0 HD23 LEU B 269 23.962 18.168 48.706 1.00 5.51 H new ATOM 1919 N THR B 270 24.363 15.892 52.640 1.00 8.68 N ATOM 1920 CA THR B 270 24.373 15.215 53.931 1.00 8.91 C ATOM 1921 C THR B 270 24.409 13.699 53.779 1.00 9.50 C ATOM 1922 O THR B 270 24.427 12.964 54.768 1.00 8.55 O ATOM 1923 CB THR B 270 23.136 15.614 54.746 1.00 8.49 C ATOM 1924 OG1 THR B 270 21.954 15.225 54.033 1.00 6.88 O ATOM 1925 CG2 THR B 270 23.114 17.124 54.964 1.00 8.35 C ATOM 0 H THR B 270 23.678 15.721 52.149 1.00 8.68 H new ATOM 0 HA THR B 270 25.179 15.491 54.395 1.00 8.91 H new ATOM 0 HB THR B 270 23.167 15.168 55.607 1.00 8.49 H new ATOM 0 HG1 THR B 270 21.732 15.838 53.503 1.00 6.88 H new ATOM 0 HG21 THR B 270 22.329 17.365 55.480 1.00 8.35 H new ATOM 0 HG22 THR B 270 23.912 17.393 55.445 1.00 8.35 H new ATOM 0 HG23 THR B 270 23.087 17.575 54.105 1.00 8.35 H new ATOM 1926 N LYS B 271 24.419 13.235 52.534 1.00 9.07 N ATOM 1927 CA LYS B 271 24.467 11.803 52.255 1.00 9.36 C ATOM 1928 C LYS B 271 25.262 11.551 50.988 1.00 8.82 C ATOM 1929 O LYS B 271 25.567 12.484 50.241 1.00 10.22 O ATOM 1930 CB LYS B 271 23.055 11.235 52.068 1.00 7.09 C ATOM 1931 CG LYS B 271 22.161 11.317 53.300 1.00 10.22 C ATOM 1932 CD LYS B 271 20.827 10.616 53.049 1.00 9.50 C ATOM 1933 CE LYS B 271 19.894 10.738 54.248 1.00 12.53 C ATOM 1934 NZ LYS B 271 18.521 10.230 53.925 1.00 11.80 N ATOM 0 H LYS B 271 24.398 13.734 51.834 1.00 9.07 H new ATOM 0 HA LYS B 271 24.890 11.365 53.010 1.00 9.36 H new ATOM 0 HB2 LYS B 271 22.624 11.709 51.340 1.00 7.09 H new ATOM 0 HB3 LYS B 271 23.127 10.306 51.798 1.00 7.09 H new ATOM 0 HG2 LYS B 271 22.609 10.908 54.057 1.00 10.22 H new ATOM 0 HG3 LYS B 271 22.005 12.246 53.530 1.00 10.22 H new ATOM 0 HD2 LYS B 271 20.401 11.000 52.267 1.00 9.50 H new ATOM 0 HD3 LYS B 271 20.985 9.679 52.855 1.00 9.50 H new ATOM 0 HE2 LYS B 271 20.258 10.239 54.996 1.00 12.53 H new ATOM 0 HE3 LYS B 271 19.841 11.666 54.526 1.00 12.53 H new ATOM 0 HZ1 LYS B 271 18.069 10.094 54.680 1.00 11.80 H new ATOM 0 HZ2 LYS B 271 18.092 10.830 53.427 1.00 11.80 H new ATOM 0 HZ3 LYS B 271 18.586 9.464 53.476 1.00 11.80 H new ATOM 1935 N GLU B 272 25.608 10.288 50.761 1.00 8.18 N ATOM 1936 CA GLU B 272 26.329 9.898 49.562 1.00 8.26 C ATOM 1937 C GLU B 272 25.308 9.884 48.433 1.00 9.51 C ATOM 1938 O GLU B 272 24.121 9.630 48.660 1.00 8.39 O ATOM 1939 CB GLU B 272 26.951 8.508 49.742 1.00 8.83 C ATOM 1940 CG GLU B 272 28.205 8.528 50.600 1.00 11.99 C ATOM 1941 CD GLU B 272 28.656 7.148 51.017 1.00 14.85 C ATOM 1942 OE1 GLU B 272 28.528 6.205 50.208 1.00 17.25 O ATOM 1943 OE2 GLU B 272 29.150 7.010 52.155 1.00 19.11 O ATOM 0 H GLU B 272 25.431 9.638 51.296 1.00 8.18 H new ATOM 0 HA GLU B 272 27.054 10.514 49.371 1.00 8.26 H new ATOM 0 HB2 GLU B 272 26.297 7.916 50.146 1.00 8.83 H new ATOM 0 HB3 GLU B 272 27.167 8.140 48.871 1.00 8.83 H new ATOM 0 HG2 GLU B 272 28.920 8.962 50.109 1.00 11.99 H new ATOM 0 HG3 GLU B 272 28.040 9.062 51.393 1.00 11.99 H new ATOM 1944 N LEU B 273 25.767 10.159 47.220 1.00 8.10 N ATOM 1945 CA LEU B 273 24.874 10.203 46.072 1.00 9.44 C ATOM 1946 C LEU B 273 25.344 9.300 44.939 1.00 8.76 C ATOM 1947 O LEU B 273 26.436 9.476 44.403 1.00 7.78 O ATOM 1948 CB LEU B 273 24.754 11.649 45.578 1.00 9.79 C ATOM 1949 CG LEU B 273 23.877 11.967 44.360 1.00 11.58 C ATOM 1950 CD1 LEU B 273 22.461 11.460 44.568 1.00 14.46 C ATOM 1951 CD2 LEU B 273 23.869 13.476 44.147 1.00 11.38 C ATOM 0 H LEU B 273 26.592 10.323 47.040 1.00 8.10 H new ATOM 0 HA LEU B 273 24.007 9.874 46.357 1.00 9.44 H new ATOM 0 HB2 LEU B 273 24.425 12.182 46.319 1.00 9.79 H new ATOM 0 HB3 LEU B 273 25.650 11.962 45.379 1.00 9.79 H new ATOM 0 HG LEU B 273 24.239 11.523 43.577 1.00 11.58 H new ATOM 0 HD11 LEU B 273 21.924 11.671 43.788 1.00 14.46 H new ATOM 0 HD12 LEU B 273 22.477 10.499 44.699 1.00 14.46 H new ATOM 0 HD13 LEU B 273 22.076 11.886 45.350 1.00 14.46 H new ATOM 0 HD21 LEU B 273 23.317 13.692 43.379 1.00 11.38 H new ATOM 0 HD22 LEU B 273 23.510 13.912 44.935 1.00 11.38 H new ATOM 0 HD23 LEU B 273 24.775 13.786 43.991 1.00 11.38 H new ATOM 1952 N TYR B 274 24.510 8.321 44.602 1.00 8.80 N ATOM 1953 CA TYR B 274 24.779 7.377 43.520 1.00 8.23 C ATOM 1954 C TYR B 274 23.637 7.554 42.521 1.00 9.27 C ATOM 1955 O TYR B 274 22.465 7.552 42.903 1.00 8.41 O ATOM 1956 CB TYR B 274 24.774 5.938 44.048 1.00 6.62 C ATOM 1957 CG TYR B 274 25.831 5.661 45.089 1.00 8.76 C ATOM 1958 CD1 TYR B 274 27.128 5.300 44.719 1.00 9.07 C ATOM 1959 CD2 TYR B 274 25.542 5.785 46.447 1.00 7.71 C ATOM 1960 CE1 TYR B 274 28.114 5.071 45.684 1.00 10.68 C ATOM 1961 CE2 TYR B 274 26.515 5.563 47.414 1.00 8.98 C ATOM 1962 CZ TYR B 274 27.796 5.210 47.028 1.00 8.46 C ATOM 1963 OH TYR B 274 28.759 5.020 47.993 1.00 10.94 O ATOM 0 H TYR B 274 23.761 8.184 45.001 1.00 8.80 H new ATOM 0 HA TYR B 274 25.647 7.541 43.120 1.00 8.23 H new ATOM 0 HB2 TYR B 274 23.902 5.746 44.427 1.00 6.62 H new ATOM 0 HB3 TYR B 274 24.900 5.330 43.303 1.00 6.62 H new ATOM 0 HD1 TYR B 274 27.339 5.211 43.818 1.00 9.07 H new ATOM 0 HD2 TYR B 274 24.682 6.021 46.711 1.00 7.71 H new ATOM 0 HE1 TYR B 274 28.974 4.828 45.428 1.00 10.68 H new ATOM 0 HE2 TYR B 274 26.306 5.651 48.316 1.00 8.98 H new ATOM 0 HH TYR B 274 28.675 5.603 48.592 1.00 10.94 H new ATOM 1964 N PHE B 275 23.972 7.707 41.246 1.00 8.35 N ATOM 1965 CA PHE B 275 22.948 7.903 40.230 1.00 9.22 C ATOM 1966 C PHE B 275 22.167 6.626 39.945 1.00 10.65 C ATOM 1967 O PHE B 275 21.079 6.661 39.368 1.00 11.94 O ATOM 1968 CB PHE B 275 23.594 8.447 38.957 1.00 7.96 C ATOM 1969 CG PHE B 275 24.180 9.822 39.127 1.00 7.99 C ATOM 1970 CD1 PHE B 275 23.351 10.923 39.319 1.00 9.85 C ATOM 1971 CD2 PHE B 275 25.557 10.014 39.125 1.00 8.85 C ATOM 1972 CE1 PHE B 275 23.888 12.199 39.508 1.00 9.92 C ATOM 1973 CE2 PHE B 275 26.104 11.287 39.315 1.00 9.47 C ATOM 1974 CZ PHE B 275 25.267 12.378 39.506 1.00 10.23 C ATOM 0 H PHE B 275 24.780 7.701 40.950 1.00 8.35 H new ATOM 0 HA PHE B 275 22.306 8.548 40.567 1.00 9.22 H new ATOM 0 HB2 PHE B 275 24.292 7.838 38.671 1.00 7.96 H new ATOM 0 HB3 PHE B 275 22.931 8.470 38.250 1.00 7.96 H new ATOM 0 HD1 PHE B 275 22.428 10.808 39.322 1.00 9.85 H new ATOM 0 HD2 PHE B 275 26.122 9.286 38.996 1.00 8.85 H new ATOM 0 HE1 PHE B 275 23.324 12.927 39.635 1.00 9.92 H new ATOM 0 HE2 PHE B 275 27.027 11.402 39.313 1.00 9.47 H new ATOM 0 HZ PHE B 275 25.627 13.226 39.632 1.00 10.23 H new ATOM 1975 N TYR B 276 22.716 5.500 40.378 1.00 12.04 N ATOM 1976 CA TYR B 276 22.075 4.207 40.174 1.00 13.76 C ATOM 1977 C TYR B 276 21.549 3.692 41.509 1.00 15.12 C ATOM 1978 O TYR B 276 21.898 4.224 42.565 1.00 15.64 O ATOM 1979 CB TYR B 276 23.096 3.220 39.605 1.00 14.19 C ATOM 1980 CG TYR B 276 24.238 2.921 40.553 1.00 16.07 C ATOM 1981 CD1 TYR B 276 24.118 1.932 41.534 1.00 16.66 C ATOM 1982 CD2 TYR B 276 25.434 3.636 40.484 1.00 14.46 C ATOM 1983 CE1 TYR B 276 25.162 1.662 42.419 1.00 17.66 C ATOM 1984 CE2 TYR B 276 26.484 3.375 41.365 1.00 17.21 C ATOM 1985 CZ TYR B 276 26.340 2.386 42.328 1.00 18.23 C ATOM 1986 OH TYR B 276 27.374 2.122 43.197 1.00 19.97 O ATOM 0 H TYR B 276 23.466 5.462 40.796 1.00 12.04 H new ATOM 0 HA TYR B 276 21.337 4.300 39.551 1.00 13.76 H new ATOM 0 HB2 TYR B 276 22.645 2.391 39.382 1.00 14.19 H new ATOM 0 HB3 TYR B 276 23.456 3.578 38.779 1.00 14.19 H new ATOM 0 HD1 TYR B 276 23.328 1.445 41.598 1.00 16.66 H new ATOM 0 HD2 TYR B 276 25.533 4.299 39.839 1.00 14.46 H new ATOM 0 HE1 TYR B 276 25.068 1.000 43.066 1.00 17.66 H new ATOM 0 HE2 TYR B 276 27.275 3.861 41.307 1.00 17.21 H new ATOM 0 HH TYR B 276 27.493 2.784 43.701 1.00 19.97 H new ATOM 1987 N HIS B 277 20.704 2.666 41.462 1.00 15.70 N ATOM 1988 CA HIS B 277 20.172 2.068 42.682 1.00 16.84 C ATOM 1989 C HIS B 277 20.027 0.560 42.502 1.00 18.01 C ATOM 1990 O HIS B 277 20.324 0.076 41.389 1.00 17.96 O ATOM 1991 CB HIS B 277 18.818 2.682 43.061 1.00 17.84 C ATOM 1992 CG HIS B 277 17.724 2.409 42.077 1.00 19.11 C ATOM 1993 ND1 HIS B 277 17.581 3.119 40.904 1.00 19.30 N ATOM 1994 CD2 HIS B 277 16.717 1.502 42.094 1.00 19.10 C ATOM 1995 CE1 HIS B 277 16.534 2.661 40.241 1.00 20.27 C ATOM 1996 NE2 HIS B 277 15.992 1.680 40.941 1.00 19.56 N ATOM 1997 OXT HIS B 277 19.624 -0.120 43.471 1.00 18.82 O ATOM 0 H HIS B 277 20.427 2.302 40.734 1.00 15.70 H new ATOM 0 HA HIS B 277 20.796 2.250 43.402 1.00 16.84 H new ATOM 0 HB2 HIS B 277 18.551 2.341 43.929 1.00 17.84 H new ATOM 0 HB3 HIS B 277 18.924 3.642 43.154 1.00 17.84 H new ATOM 0 HD2 HIS B 277 16.548 0.876 42.761 1.00 19.10 H new ATOM 0 HE1 HIS B 277 16.230 2.976 39.420 1.00 20.27 H new ATOM 0 HE2 HIS B 277 15.298 1.227 40.712 1.00 19.56 H new TER 1998 HIS B 277 HETATM 1999 C1 PHQ C 1 41.274 28.200 21.860 1.00 28.56 C HETATM 2000 O1 PHQ C 1 40.121 27.815 21.689 1.00 24.91 O HETATM 2001 O2 PHQ C 1 42.185 28.484 20.879 1.00 30.68 O HETATM 2002 C2 PHQ C 1 41.743 28.313 19.503 1.00 32.52 C HETATM 2003 C3 PHQ C 1 42.820 28.657 18.457 1.00 33.24 C HETATM 2004 C4 PHQ C 1 42.461 28.524 17.060 1.00 34.09 C HETATM 2005 C5 PHQ C 1 43.419 28.836 16.022 1.00 31.76 C HETATM 2006 C6 PHQ C 1 44.747 29.284 16.376 1.00 33.50 C HETATM 2007 C7 PHQ C 1 45.121 29.419 17.768 1.00 32.71 C HETATM 2008 C8 PHQ C 1 44.163 29.109 18.808 1.00 34.65 C HETATM 0 H81 PHQ C 1 44.414 29.202 19.740 1.00 34.65 H new HETATM 0 H71 PHQ C 1 46.013 29.717 18.004 1.00 32.71 H new HETATM 0 H61 PHQ C 1 45.389 29.495 15.680 1.00 33.50 H new HETATM 0 H51 PHQ C 1 43.170 28.745 15.089 1.00 31.76 H new HETATM 0 H41 PHQ C 1 41.571 28.223 16.819 1.00 34.09 H new HETATM 0 H22 PHQ C 1 41.461 27.394 19.375 1.00 32.52 H new HETATM 0 H21 PHQ C 1 40.965 28.872 19.350 1.00 32.52 H new ATOM 2009 N ASP C 2 41.730 28.936 22.868 1.00 25.98 N ATOM 2010 CA ASP C 2 41.062 29.000 24.164 1.00 24.30 C ATOM 2011 C ASP C 2 40.540 30.394 24.493 1.00 24.27 C ATOM 2012 O ASP C 2 41.113 31.401 24.078 1.00 23.78 O ATOM 2013 CB ASP C 2 42.009 28.545 25.279 1.00 24.11 C ATOM 2014 CG ASP C 2 42.361 27.077 25.184 1.00 22.84 C ATOM 2015 OD1 ASP C 2 41.433 26.255 25.060 1.00 22.02 O ATOM 2016 OD2 ASP C 2 43.562 26.743 25.241 1.00 21.46 O ATOM 0 HA ASP C 2 40.299 28.404 24.106 1.00 24.30 H new ATOM 0 HB2 ASP C 2 42.823 29.072 25.242 1.00 24.11 H new ATOM 0 HB3 ASP C 2 41.597 28.720 26.140 1.00 24.11 H new ATOM 2017 N GLU C 3 39.439 30.435 25.235 1.00 22.49 N ATOM 2018 CA GLU C 3 38.827 31.686 25.661 1.00 22.81 C ATOM 2019 C GLU C 3 38.499 31.513 27.142 1.00 21.23 C ATOM 2020 O GLU C 3 38.363 30.387 27.617 1.00 19.76 O ATOM 2021 CB GLU C 3 37.544 31.967 24.865 1.00 24.37 C ATOM 2022 CG GLU C 3 37.731 31.987 23.346 1.00 26.86 C ATOM 2023 CD GLU C 3 36.509 32.512 22.598 1.00 28.63 C ATOM 2024 OE1 GLU C 3 35.383 32.043 22.865 1.00 27.62 O ATOM 2025 OE2 GLU C 3 36.678 33.394 21.731 1.00 31.74 O ATOM 0 H GLU C 3 39.024 29.733 25.507 1.00 22.49 H new ATOM 0 HA GLU C 3 39.425 32.435 25.510 1.00 22.81 H new ATOM 0 HB2 GLU C 3 36.884 31.293 25.089 1.00 24.37 H new ATOM 0 HB3 GLU C 3 37.183 32.822 25.146 1.00 24.37 H new ATOM 0 HG2 GLU C 3 38.498 32.538 23.128 1.00 26.86 H new ATOM 0 HG3 GLU C 3 37.930 31.089 23.038 1.00 26.86 H new ATOM 2026 N VAL C 4 38.380 32.619 27.871 1.00 20.38 N ATOM 2027 CA VAL C 4 38.074 32.550 29.296 1.00 19.38 C ATOM 2028 C VAL C 4 36.639 32.960 29.586 1.00 18.50 C ATOM 2029 O VAL C 4 35.889 33.310 28.677 1.00 18.47 O ATOM 2030 CB VAL C 4 39.023 33.449 30.117 1.00 19.44 C ATOM 2031 CG1 VAL C 4 40.457 32.974 29.950 1.00 20.58 C ATOM 2032 CG2 VAL C 4 38.886 34.899 29.670 1.00 19.97 C ATOM 0 H VAL C 4 38.472 33.416 27.561 1.00 20.38 H new ATOM 0 HA VAL C 4 38.197 31.624 29.558 1.00 19.38 H new ATOM 0 HB VAL C 4 38.783 33.392 31.055 1.00 19.44 H new ATOM 0 HG11 VAL C 4 41.049 33.542 30.468 1.00 20.58 H new ATOM 0 HG12 VAL C 4 40.533 32.059 30.262 1.00 20.58 H new ATOM 0 HG13 VAL C 4 40.705 33.017 29.013 1.00 20.58 H new ATOM 0 HG21 VAL C 4 39.485 35.456 30.191 1.00 19.97 H new ATOM 0 HG22 VAL C 4 39.113 34.971 28.730 1.00 19.97 H new ATOM 0 HG23 VAL C 4 37.972 35.194 29.805 1.00 19.97 H new HETATM 2033 C2 MX4 C 5 35.305 34.534 32.207 1.00 24.63 C HETATM 2034 C3 MX4 C 5 34.576 35.851 32.401 1.00 34.01 C HETATM 2035 C4 MX4 C 5 34.464 36.598 31.099 1.00 39.11 C HETATM 2036 O5 MX4 C 5 34.177 36.091 30.008 1.00 39.52 O HETATM 2037 O6 MX4 C 5 34.735 37.906 31.347 1.00 44.44 O HETATM 2038 C7 MX4 C 5 34.332 33.369 32.085 1.00 23.88 C HETATM 2039 O8 MX4 C 5 33.283 33.351 32.740 1.00 24.30 O HETATM 2040 N9 MX4 C 5 34.689 32.322 31.229 1.00 23.81 N HETATM 2041 C10 MX4 C 5 33.834 31.138 31.074 1.00 21.15 C HETATM 2042 C12 MX4 C 5 35.221 41.235 29.739 1.00 52.50 C HETATM 2043 C13 MX4 C 5 35.529 42.553 30.173 1.00 54.04 C HETATM 2044 C14 MX4 C 5 35.639 42.854 31.552 1.00 53.76 C HETATM 2045 C15 MX4 C 5 35.438 41.835 32.513 1.00 53.44 C HETATM 2046 C16 MX4 C 5 35.127 40.509 32.093 1.00 52.68 C HETATM 2047 C17 MX4 C 5 35.015 40.193 30.694 1.00 51.35 C HETATM 2048 C18 MX4 C 5 33.250 30.995 29.682 1.00 22.32 C HETATM 2049 C9 MX4 C 5 34.683 38.797 30.223 1.00 48.65 C HETATM 2050 O19 MX4 C 5 33.010 31.868 28.866 1.00 21.83 O HETATM 2051 N16 MX4 C 5 35.873 32.334 30.459 1.00 20.27 N HETATM 2052 O20 MX4 C 5 32.977 29.700 29.392 1.00 18.47 O HETATM 0 H9C2 MX4 C 5 35.312 38.514 29.541 1.00 48.65 H new HETATM 0 H9C1 MX4 C 5 33.801 38.779 29.821 1.00 48.65 H new HETATM 0 H3C2 MX4 C 5 33.691 35.685 32.761 1.00 34.01 H new HETATM 0 H3C1 MX4 C 5 35.049 36.394 33.051 1.00 34.01 H new HETATM 0 H2C2 MX4 C 5 35.855 34.582 31.410 1.00 24.63 H new HETATM 0 H102 MX4 C 5 34.351 30.344 31.284 1.00 21.15 H new HETATM 0 H101 MX4 C 5 33.110 31.183 31.718 1.00 21.15 H new HETATM 0 H16 MX4 C 5 34.990 39.814 32.756 1.00 52.68 H new HETATM 0 H15 MX4 C 5 35.512 42.039 33.458 1.00 53.44 H new HETATM 0 H14 MX4 C 5 35.852 43.756 31.837 1.00 53.76 H new HETATM 0 H13 MX4 C 5 35.665 43.254 29.517 1.00 54.04 H new HETATM 0 H12 MX4 C 5 35.150 41.042 28.791 1.00 52.50 H new TER 2053 MX4 C 5 HETATM 2054 O HOH A2001 16.347 -3.011 62.457 1.00 34.86 O HETATM 2055 O HOH A2002 15.070 -1.689 59.947 1.00 37.39 O HETATM 2056 O HOH A2003 18.412 2.263 54.559 1.00 34.95 O HETATM 2057 O HOH A2004 21.262 1.874 62.088 1.00 35.80 O HETATM 2058 O HOH A2005 17.770 4.766 52.766 1.00 46.68 O HETATM 2059 O HOH A2006 31.417 28.448 47.607 1.00 13.23 O HETATM 2060 O HOH A2007 17.458 10.617 56.329 1.00 27.65 O HETATM 2061 O HOH A2008 26.759 9.357 54.323 1.00 16.16 O HETATM 2062 O HOH A2009 24.537 5.497 59.097 1.00 38.29 O HETATM 2063 O HOH A2010 21.077 4.576 52.451 1.00 38.99 O HETATM 2064 O HOH A2011 25.960 2.349 54.091 1.00 43.89 O HETATM 2065 O HOH A2012 27.075 3.728 58.611 1.00 24.63 O HETATM 2066 O HOH A2013 19.795 5.130 48.907 1.00 31.59 O HETATM 2067 O HOH A2014 16.712 11.859 47.068 1.00 8.35 O HETATM 2068 O HOH A2015 10.059 5.198 45.448 1.00 42.57 O HETATM 2069 O HOH A2016 17.192 10.151 51.077 1.00 9.55 O HETATM 2070 O HOH A2017 12.677 3.788 50.136 1.00 54.92 O HETATM 2071 O HOH A2018 14.864 7.895 40.413 1.00 14.02 O HETATM 2072 O HOH A2019 18.635 4.854 46.126 1.00 15.37 O HETATM 2073 O HOH A2020 14.701 2.654 48.781 1.00 47.92 O HETATM 2074 O HOH A2021 14.333 0.481 44.928 1.00 54.55 O HETATM 2075 O HOH A2022 17.300 2.682 46.765 1.00 34.52 O HETATM 2076 O HOH A2023 15.286 6.318 52.284 1.00 48.32 O HETATM 2077 O HOH A2024 17.023 4.887 49.928 1.00 36.54 O HETATM 2078 O HOH A2025 9.697 12.479 49.802 1.00 44.65 O HETATM 2079 O HOH A2026 9.983 9.476 50.266 1.00 39.52 O HETATM 2080 O HOH A2027 13.822 11.912 50.148 1.00 28.25 O HETATM 2081 O HOH A2028 8.377 7.021 46.286 1.00 37.78 O HETATM 2082 O HOH A2029 11.525 14.312 35.810 1.00 23.30 O HETATM 2083 O HOH A2030 6.821 14.653 38.571 1.00 28.08 O HETATM 2084 O HOH A2031 6.153 9.818 37.948 1.00 50.03 O HETATM 2085 O HOH A2032 7.432 10.857 49.230 1.00 34.53 O HETATM 2086 O HOH A2033 26.498 43.489 18.456 1.00 51.46 O HETATM 2087 O HOH A2034 21.722 38.723 20.926 1.00 38.35 O HETATM 2088 O HOH A2035 19.244 37.116 22.496 1.00 51.29 O HETATM 2089 O HOH A2036 24.794 11.975 20.393 1.00 41.53 O HETATM 2090 O HOH A2037 17.700 39.487 21.744 1.00 51.63 O HETATM 2091 O HOH A2038 20.068 40.935 21.195 1.00 53.15 O HETATM 2092 O HOH A2039 23.532 44.097 18.244 1.00 51.88 O HETATM 2093 O HOH A2040 22.643 29.731 23.251 1.00 44.92 O HETATM 2094 O HOH A2041 12.920 42.343 37.149 1.00 42.51 O HETATM 2095 O HOH A2042 29.575 28.585 18.272 1.00 39.58 O HETATM 2096 O HOH A2043 27.807 23.113 17.964 1.00 30.45 O HETATM 2097 O HOH A2044 28.266 18.478 19.446 1.00 36.36 O HETATM 2098 O HOH A2045 21.660 37.458 23.232 1.00 16.93 O HETATM 2099 O HOH A2046 27.633 32.894 17.864 1.00 30.64 O HETATM 2100 O HOH A2047 24.872 15.469 20.191 1.00 39.50 O HETATM 2101 O HOH A2048 28.665 37.120 46.048 1.00 42.27 O HETATM 2102 O HOH A2049 27.887 37.826 22.194 1.00 14.49 O HETATM 2103 O HOH A2050 24.959 38.480 20.572 1.00 38.13 O HETATM 2104 O HOH A2051 16.722 39.198 24.802 1.00 31.45 O HETATM 2105 O HOH A2052 10.683 35.667 44.848 1.00 50.34 O HETATM 2106 O HOH A2053 22.470 42.995 20.753 1.00 28.29 O HETATM 2107 O HOH A2054 13.168 3.575 27.679 1.00 37.83 O HETATM 2108 O HOH A2055 11.369 10.467 34.554 1.00 22.56 O HETATM 2109 O HOH A2056 25.429 50.163 26.297 1.00 29.84 O HETATM 2110 O HOH A2057 22.184 45.631 22.332 1.00 40.39 O HETATM 2111 O HOH A2058 27.810 41.371 22.319 1.00 40.76 O HETATM 2112 O HOH A2059 11.382 38.915 30.116 1.00 36.86 O HETATM 2113 O HOH A2060 33.160 38.841 27.118 1.00 21.52 O HETATM 2114 O HOH A2061 11.181 41.538 31.419 1.00 39.62 O HETATM 2115 O HOH A2062 13.717 39.515 37.962 1.00 31.73 O HETATM 2116 O HOH A2063 11.743 39.731 24.440 1.00 46.42 O HETATM 2117 O HOH A2064 29.738 31.659 19.055 1.00 34.69 O HETATM 2118 O HOH A2065 31.201 38.065 20.159 1.00 27.88 O HETATM 2119 O HOH A2066 29.943 26.291 27.975 1.00 10.05 O HETATM 2120 O HOH A2067 4.696 28.766 38.821 1.00 41.25 O HETATM 2121 O HOH A2068 5.610 26.195 35.400 1.00 37.92 O HETATM 2122 O HOH A2069 31.523 28.605 16.472 1.00 41.52 O HETATM 2123 O HOH A2070 28.968 26.908 20.221 1.00 15.88 O HETATM 2124 O HOH A2071 3.775 14.659 41.671 1.00 32.88 O HETATM 2125 O HOH A2072 4.280 12.380 46.711 1.00 53.15 O HETATM 2126 O HOH A2073 6.919 8.929 44.885 1.00 31.60 O HETATM 2127 O HOH A2074 5.096 14.820 50.702 1.00 46.46 O HETATM 2128 O HOH A2075 26.349 25.350 17.209 1.00 28.07 O HETATM 2129 O HOH A2076 22.993 27.982 21.209 1.00 22.21 O HETATM 2130 O HOH A2077 28.567 17.523 22.085 1.00 27.45 O HETATM 2131 O HOH A2078 31.955 19.428 25.975 1.00 8.96 O HETATM 2132 O HOH A2079 22.969 15.883 22.595 1.00 30.42 O HETATM 2133 O HOH A2080 31.262 31.184 47.537 1.00 27.36 O HETATM 2134 O HOH A2081 35.767 34.747 47.434 1.00 42.14 O HETATM 2135 O HOH A2082 34.140 39.024 44.769 1.00 44.13 O HETATM 2136 O HOH A2083 30.252 35.124 46.522 1.00 28.14 O HETATM 2137 O HOH A2084 37.939 36.691 44.351 1.00 42.89 O HETATM 2138 O HOH A2085 25.887 36.935 46.501 1.00 29.74 O HETATM 2139 O HOH A2086 32.783 17.305 25.145 1.00 48.42 O HETATM 2140 O HOH A2087 20.946 17.358 22.314 1.00 51.61 O HETATM 2141 O HOH A2088 16.180 18.744 26.231 1.00 26.28 O HETATM 2142 O HOH A2089 19.218 38.263 46.184 1.00 51.51 O HETATM 2143 O HOH A2090 25.673 8.443 23.965 1.00 48.69 O HETATM 2144 O HOH A2091 17.826 42.144 40.159 1.00 46.56 O HETATM 2145 O HOH A2092 13.716 36.257 44.297 1.00 34.71 O HETATM 2146 O HOH A2093 25.832 9.404 30.926 1.00 15.92 O HETATM 2147 O HOH A2094 10.727 31.445 46.626 1.00 33.48 O HETATM 2148 O HOH A2095 20.047 5.683 25.118 1.00 21.10 O HETATM 2149 O HOH A2096 5.910 26.068 52.562 1.00 49.98 O HETATM 2150 O HOH A2097 9.387 32.116 49.017 1.00 48.56 O HETATM 2151 O HOH A2098 3.637 24.975 54.737 1.00 42.67 O HETATM 2152 O HOH A2099 5.093 21.003 47.568 1.00 48.40 O HETATM 2153 O HOH A2100 5.070 23.879 48.272 1.00 47.56 O HETATM 2154 O HOH A2101 21.450 4.550 30.386 1.00 26.28 O HETATM 2155 O HOH A2102 23.297 5.935 24.393 1.00 40.04 O HETATM 2156 O HOH A2103 21.678 3.886 27.758 1.00 58.21 O HETATM 2157 O HOH A2104 25.939 9.008 28.301 1.00 27.55 O HETATM 2158 O HOH A2105 15.274 13.012 54.293 1.00 30.18 O HETATM 2159 O HOH A2106 20.178 6.988 36.700 1.00 13.26 O HETATM 2160 O HOH A2107 14.878 4.113 29.802 1.00 25.50 O HETATM 2161 O HOH A2108 19.145 2.318 30.247 1.00 55.07 O HETATM 2162 O HOH A2109 18.507 6.728 28.352 1.00 17.02 O HETATM 2163 O HOH A2110 13.980 9.079 35.681 1.00 12.51 O HETATM 2164 O HOH A2111 13.349 12.244 35.416 1.00 12.93 O HETATM 2165 O HOH A2112 8.161 15.555 35.093 1.00 25.30 O HETATM 2166 O HOH A2113 7.365 17.683 32.395 1.00 36.97 O HETATM 2167 O HOH A2114 58.141 23.988 29.493 1.00 40.78 O HETATM 2168 O HOH A2115 57.628 26.779 38.135 1.00 44.48 O HETATM 2169 O HOH A2116 21.078 21.191 25.978 1.00 14.84 O HETATM 2170 O HOH A2117 16.165 33.564 23.977 1.00 55.01 O HETATM 2171 O HOH A2118 21.670 30.678 20.491 1.00 31.13 O HETATM 2172 O HOH A2119 19.931 34.720 20.836 1.00 35.67 O HETATM 2173 O HOH A2120 13.851 39.438 29.312 1.00 27.01 O HETATM 2174 O HOH A2121 22.140 45.783 35.439 1.00 27.57 O HETATM 2175 O HOH A2122 17.582 39.710 37.156 1.00 36.60 O HETATM 2176 O HOH A2123 22.424 41.509 39.814 1.00 36.15 O HETATM 2177 O HOH A2124 21.159 45.682 38.659 1.00 36.89 O HETATM 2178 O HOH A2125 14.276 41.975 29.919 1.00 49.18 O HETATM 2179 O HOH A2126 17.984 44.741 34.181 1.00 41.13 O HETATM 2180 O HOH A2127 12.354 37.901 36.324 1.00 26.64 O HETATM 2181 O HOH A2128 13.762 38.879 26.081 1.00 35.71 O HETATM 2182 O HOH A2129 11.620 37.145 31.949 1.00 32.63 O HETATM 2183 O HOH A2130 16.203 36.324 25.417 1.00 26.15 O HETATM 2184 O HOH A2131 12.023 32.413 31.596 1.00 25.23 O HETATM 2185 O HOH A2132 6.310 30.933 39.199 1.00 46.23 O HETATM 2186 O HOH A2133 5.018 28.441 34.261 1.00 33.86 O HETATM 2187 O HOH A2134 5.724 26.355 38.223 1.00 15.11 O HETATM 2188 O HOH A2135 6.579 32.191 33.657 1.00 22.41 O HETATM 2189 O HOH A2136 7.851 33.455 37.516 1.00 48.78 O HETATM 2190 O HOH A2137 3.268 22.881 41.718 1.00 46.42 O HETATM 2191 O HOH A2138 4.479 25.473 44.061 1.00 43.66 O HETATM 2192 O HOH A2139 4.421 22.716 44.206 1.00 43.54 O HETATM 2193 O HOH A2140 6.181 34.272 43.933 1.00 54.46 O HETATM 2194 O HOH A2141 3.737 24.759 39.029 1.00 35.94 O HETATM 2195 O HOH A2142 8.176 25.465 35.418 1.00 16.81 O HETATM 2196 O HOH A2143 7.069 23.714 44.654 1.00 21.71 O HETATM 2197 O HOH A2144 2.176 15.399 44.979 1.00 49.89 O HETATM 2198 O HOH A2145 4.292 20.778 39.065 1.00 20.95 O HETATM 2199 O HOH A2146 6.721 15.145 41.042 1.00 18.17 O HETATM 2200 O HOH A2147 6.601 11.068 46.409 1.00 28.21 O HETATM 2201 O HOH A2148 6.981 16.193 48.370 1.00 25.87 O HETATM 2202 O HOH A2149 5.226 7.102 44.040 1.00 50.04 O HETATM 2203 O HOH A2150 6.270 19.102 34.997 1.00 23.85 O HETATM 2204 O HOH A2151 13.897 17.835 39.849 1.00 8.97 O HETATM 2205 O HOH A2152 32.437 40.944 40.614 1.00 36.15 O HETATM 2206 O HOH A2153 35.882 39.065 38.118 1.00 47.61 O HETATM 2207 O HOH A2154 35.983 40.192 35.186 1.00 42.49 O HETATM 2208 O HOH A2155 34.195 32.610 47.405 1.00 50.63 O HETATM 2209 O HOH A2156 37.000 34.481 45.103 1.00 25.44 O HETATM 2210 O HOH A2157 32.642 39.130 42.378 1.00 36.74 O HETATM 2211 O HOH A2158 30.962 32.617 45.238 1.00 22.04 O HETATM 2212 O HOH A2159 34.991 37.963 40.748 1.00 15.29 O HETATM 2213 O HOH A2160 31.215 31.993 41.613 1.00 15.45 O HETATM 2214 O HOH A2161 25.786 34.889 44.697 1.00 15.05 O HETATM 2215 O HOH A2162 30.614 32.280 38.601 1.00 16.14 O HETATM 2216 O HOH A2163 18.742 37.353 25.123 1.00 15.15 O HETATM 2217 O HOH A2164 20.292 39.501 43.839 1.00 41.67 O HETATM 2218 O HOH A2165 23.127 42.070 44.177 1.00 51.88 O HETATM 2219 O HOH A2166 23.435 38.241 46.982 1.00 41.92 O HETATM 2220 O HOH A2167 20.940 39.282 40.865 1.00 24.40 O HETATM 2221 O HOH A2168 24.639 40.265 40.235 1.00 23.05 O HETATM 2222 O HOH A2169 25.588 30.053 51.306 1.00 13.28 O HETATM 2223 O HOH A2170 13.290 39.542 40.580 1.00 38.99 O HETATM 2224 O HOH A2171 18.136 39.492 39.668 1.00 33.50 O HETATM 2225 O HOH A2172 15.612 34.052 45.186 1.00 17.54 O HETATM 2226 O HOH A2173 14.817 41.931 41.641 1.00 57.83 O HETATM 2227 O HOH A2174 21.097 29.498 48.537 1.00 30.66 O HETATM 2228 O HOH A2175 24.879 30.282 45.555 1.00 18.30 O HETATM 2229 O HOH A2176 20.488 35.478 50.014 1.00 31.31 O HETATM 2230 O HOH A2177 19.424 32.161 51.732 1.00 40.27 O HETATM 2231 O HOH A2178 16.898 35.511 47.051 1.00 18.68 O HETATM 2232 O HOH A2179 10.697 28.647 45.655 1.00 16.87 O HETATM 2233 O HOH A2180 15.182 33.177 56.829 1.00 45.35 O HETATM 2234 O HOH A2181 16.893 34.229 54.891 1.00 45.47 O HETATM 2235 O HOH A2182 7.556 26.834 50.604 1.00 28.97 O HETATM 2236 O HOH A2183 8.187 26.451 54.699 1.00 33.58 O HETATM 2237 O HOH A2184 12.215 31.584 53.351 1.00 32.31 O HETATM 2238 O HOH A2185 10.912 29.670 56.549 1.00 39.51 O HETATM 2239 O HOH A2186 7.571 25.714 46.108 1.00 33.25 O HETATM 2240 O HOH A2187 13.829 32.656 46.844 1.00 24.26 O HETATM 2241 O HOH A2188 15.722 36.042 50.010 1.00 44.78 O HETATM 2242 O HOH A2189 8.435 29.143 48.908 1.00 39.26 O HETATM 2243 O HOH A2190 13.102 33.683 54.760 1.00 42.39 O HETATM 2244 O HOH A2191 14.662 21.990 48.929 1.00 5.86 O HETATM 2245 O HOH A2192 7.025 18.655 52.272 1.00 35.67 O HETATM 2246 O HOH A2193 7.462 24.913 48.675 1.00 17.89 O HETATM 2247 O HOH A2194 6.441 18.560 49.747 1.00 32.49 O HETATM 2248 O HOH A2195 7.011 24.116 54.832 1.00 37.44 O HETATM 2249 O HOH A2196 10.652 16.762 50.151 1.00 15.13 O HETATM 2250 O HOH A2197 10.683 17.457 54.726 1.00 36.82 O HETATM 2251 O HOH A2198 7.985 18.154 56.811 1.00 43.85 O HETATM 2252 O HOH A2199 7.462 22.071 46.538 1.00 11.98 O HETATM 2253 O HOH A2200 12.808 14.210 51.531 1.00 27.26 O HETATM 2254 O HOH A2201 13.152 16.098 54.394 1.00 39.51 O HETATM 2255 O HOH A2202 16.305 12.272 49.599 1.00 10.64 O HETATM 2256 O HOH A2203 17.896 13.156 53.051 1.00 13.38 O HETATM 2257 O HOH A2204 9.235 14.829 48.524 1.00 16.79 O HETATM 2258 O HOH A2205 33.010 28.054 37.723 1.00 9.37 O HETATM 2259 O HOH A2206 37.156 37.663 42.194 1.00 26.97 O HETATM 2260 O HOH A2207 33.933 27.821 46.495 1.00 13.52 O HETATM 2261 O HOH A2208 35.643 37.402 35.932 1.00 57.34 O HETATM 2262 O HOH A2209 39.894 37.654 40.828 1.00 18.80 O HETATM 2263 O HOH A2210 39.288 41.060 39.119 1.00 23.03 O HETATM 2264 O HOH A2211 43.606 39.494 38.635 1.00 25.32 O HETATM 2265 O HOH A2212 40.735 37.048 43.159 1.00 26.63 O HETATM 2266 O HOH A2213 44.059 35.948 45.441 1.00 32.36 O HETATM 2267 O HOH A2214 47.300 34.819 40.743 1.00 43.36 O HETATM 2268 O HOH A2215 46.820 35.712 38.242 1.00 17.84 O HETATM 2269 O HOH A2216 43.557 27.690 40.017 1.00 11.29 O HETATM 2270 O HOH A2217 54.792 26.933 35.294 1.00 26.16 O HETATM 2271 O HOH A2218 49.924 31.138 39.254 1.00 24.65 O HETATM 2272 O HOH A2219 57.312 24.566 36.557 1.00 39.89 O HETATM 2273 O HOH A2220 55.683 23.360 30.484 1.00 50.98 O HETATM 2274 O HOH A2221 56.551 17.214 34.476 1.00 53.05 O HETATM 2275 O HOH A2222 26.867 31.975 45.608 1.00 21.25 O HETATM 2276 O HOH A2223 39.489 33.992 46.356 1.00 32.23 O HETATM 2277 O HOH A2224 37.838 39.545 33.143 1.00 53.06 O HETATM 2278 O HOH A2225 29.610 24.831 18.821 1.00 44.31 O HETATM 2279 O HOH A2226 27.232 15.226 22.371 1.00 40.80 O HETATM 2280 O HOH A2227 22.522 2.258 31.748 1.00 37.81 O HETATM 2281 O HOH A2228 18.492 7.715 52.809 1.00 35.41 O HETATM 2282 O HOH B2001 18.886 13.444 64.787 1.00 42.08 O HETATM 2283 O HOH B2002 16.480 14.699 58.000 1.00 39.25 O HETATM 2284 O HOH B2003 27.897 32.082 48.084 1.00 23.36 O HETATM 2285 O HOH B2004 31.256 13.777 22.852 1.00 44.06 O HETATM 2286 O HOH B2005 20.168 10.166 74.006 1.00 42.21 O HETATM 2287 O HOH B2007 18.624 14.989 66.895 1.00 36.69 O HETATM 2288 O HOH B2008 11.418 23.528 68.581 1.00 31.47 O HETATM 2289 O HOH B2009 15.884 15.575 55.520 1.00 25.67 O HETATM 2290 O HOH B2010 27.237 29.623 47.772 1.00 31.16 O HETATM 2291 O HOH B2011 19.891 12.163 66.925 1.00 53.76 O HETATM 2292 O HOH B2016 34.625 15.390 24.980 1.00 27.42 O HETATM 2293 O HOH B2017 31.402 16.488 22.495 1.00 33.27 O HETATM 2294 O HOH B2018 39.804 14.818 23.763 1.00 42.99 O HETATM 2295 O HOH B2019 32.891 5.990 28.736 1.00 35.75 O HETATM 2296 O HOH B2020 33.826 10.055 26.834 1.00 26.96 O HETATM 2297 O HOH B2021 25.387 5.013 31.017 1.00 40.06 O HETATM 2298 O HOH B2024 44.538 35.917 21.112 1.00 34.25 O HETATM 2299 O HOH B2025 52.234 40.225 26.290 1.00 47.62 O HETATM 2300 O HOH B2026 18.805 13.387 57.505 1.00 25.06 O HETATM 2301 O HOH B2027 24.763 1.975 47.708 1.00 38.53 O HETATM 2302 O HOH B2028 22.885 2.590 45.984 1.00 31.69 O HETATM 2303 O HOH B2029 10.669 -1.043 39.437 1.00 47.90 O HETATM 2304 O HOH B2030 24.672 11.319 76.025 1.00 44.65 O HETATM 2305 O HOH B2031 24.178 12.862 80.991 1.00 21.97 O HETATM 2306 O HOH B2032 27.077 17.139 80.119 1.00 32.55 O HETATM 2307 O HOH B2033 24.011 15.477 81.445 1.00 20.21 O HETATM 2308 O HOH B2034 18.781 20.449 74.097 1.00 10.77 O HETATM 2309 O HOH B2035 27.099 21.080 72.105 1.00 17.09 O HETATM 2310 O HOH B2036 20.643 17.427 75.494 1.00 20.43 O HETATM 2311 O HOH B2037 22.884 14.402 71.181 1.00 58.66 O HETATM 2312 O HOH B2038 23.875 16.269 74.823 1.00 28.02 O HETATM 2313 O HOH B2039 24.078 20.321 73.730 1.00 25.96 O HETATM 2314 O HOH B2040 16.474 10.848 69.845 1.00 54.77 O HETATM 2315 O HOH B2041 16.514 14.747 68.384 1.00 39.02 O HETATM 2316 O HOH B2042 20.635 15.317 68.533 1.00 42.47 O HETATM 2317 O HOH B2043 18.079 11.343 72.873 1.00 31.01 O HETATM 2318 O HOH B2044 18.351 18.562 67.007 1.00 29.22 O HETATM 2319 O HOH B2045 10.429 15.581 65.295 1.00 44.46 O HETATM 2320 O HOH B2046 13.341 20.617 71.533 1.00 31.40 O HETATM 2321 O HOH B2047 11.539 21.161 69.684 1.00 29.74 O HETATM 2322 O HOH B2048 13.640 22.114 66.535 1.00 19.58 O HETATM 2323 O HOH B2049 14.460 12.102 68.423 1.00 35.46 O HETATM 2324 O HOH B2050 14.306 28.387 63.670 1.00 29.94 O HETATM 2325 O HOH B2051 16.982 16.956 61.742 1.00 44.64 O HETATM 2326 O HOH B2052 17.704 22.246 52.907 1.00 9.13 O HETATM 2327 O HOH B2053 24.136 25.436 50.464 1.00 15.58 O HETATM 2328 O HOH B2054 18.384 16.329 54.698 1.00 15.98 O HETATM 2329 O HOH B2055 17.177 19.839 51.721 1.00 7.32 O HETATM 2330 O HOH B2056 23.684 29.505 47.794 1.00 56.46 O HETATM 2331 O HOH B2057 25.632 28.399 49.343 1.00 40.34 O HETATM 2332 O HOH B2058 33.344 20.653 40.597 1.00 7.65 O HETATM 2333 O HOH B2059 29.022 31.333 43.868 1.00 21.03 O HETATM 2334 O HOH B2060 28.686 27.764 46.743 1.00 17.83 O HETATM 2335 O HOH B2061 41.426 27.039 38.497 1.00 15.17 O HETATM 2336 O HOH B2062 41.875 32.935 44.700 1.00 19.55 O HETATM 2337 O HOH B2063 48.026 32.162 40.806 1.00 28.11 O HETATM 2338 O HOH B2064 42.059 29.323 35.973 1.00 24.01 O HETATM 2339 O HOH B2065 40.265 40.840 32.108 1.00 34.45 O HETATM 2340 O HOH B2066 43.882 38.892 33.180 1.00 30.48 O HETATM 2341 O HOH B2067 36.249 24.809 31.990 1.00 5.00 O HETATM 2342 O HOH B2068 41.957 23.229 19.822 1.00 21.26 O HETATM 2343 O HOH B2069 39.856 24.963 19.241 1.00 43.87 O HETATM 2344 O HOH B2070 38.721 27.059 17.175 1.00 36.78 O HETATM 2345 O HOH B2071 39.366 30.496 19.665 1.00 44.30 O HETATM 2346 O HOH B2072 32.902 26.388 17.488 1.00 38.57 O HETATM 2347 O HOH B2073 32.273 20.992 17.062 1.00 43.33 O HETATM 2348 O HOH B2074 32.559 23.631 17.639 1.00 43.03 O HETATM 2349 O HOH B2075 39.947 19.788 14.377 1.00 33.11 O HETATM 2350 O HOH B2076 34.566 18.526 19.573 1.00 48.53 O HETATM 2351 O HOH B2077 40.866 20.722 19.380 1.00 36.87 O HETATM 2352 O HOH B2078 33.726 18.136 22.957 1.00 41.96 O HETATM 2353 O HOH B2079 39.231 17.953 19.331 1.00 37.35 O HETATM 2354 O HOH B2080 33.182 14.663 27.054 1.00 12.80 O HETATM 2355 O HOH B2081 39.752 17.960 24.213 1.00 28.15 O HETATM 2356 O HOH B2082 34.013 8.669 29.056 1.00 22.86 O HETATM 2357 O HOH B2083 26.477 7.025 32.412 1.00 24.71 O HETATM 2358 O HOH B2084 28.359 6.057 29.063 1.00 53.74 O HETATM 2359 O HOH B2085 31.667 12.214 26.955 1.00 34.33 O HETATM 2360 O HOH B2086 27.560 13.271 24.174 1.00 23.92 O HETATM 2361 O HOH B2087 36.549 8.285 29.891 1.00 25.79 O HETATM 2362 O HOH B2088 38.954 7.746 33.538 1.00 28.21 O HETATM 2363 O HOH B2089 26.857 7.322 40.664 1.00 12.65 O HETATM 2364 O HOH B2090 29.077 -0.964 37.161 1.00 47.92 O HETATM 2365 O HOH B2091 27.808 5.198 33.751 1.00 16.93 O HETATM 2366 O HOH B2092 24.666 0.936 33.281 1.00 37.63 O HETATM 2367 O HOH B2093 27.868 -0.392 40.328 1.00 29.72 O HETATM 2368 O HOH B2094 33.746 1.965 32.505 1.00 57.69 O HETATM 2369 O HOH B2095 29.906 3.245 32.090 1.00 29.99 O HETATM 2370 O HOH B2096 31.590 0.490 31.657 1.00 37.28 O HETATM 2371 O HOH B2097 27.961 13.131 48.562 1.00 6.54 O HETATM 2372 O HOH B2098 32.479 5.339 45.047 1.00 19.10 O HETATM 2373 O HOH B2099 40.574 11.372 36.069 1.00 26.39 O HETATM 2374 O HOH B2100 39.849 8.724 35.887 1.00 22.85 O HETATM 2375 O HOH B2101 35.078 18.467 39.684 1.00 7.15 O HETATM 2376 O HOH B2102 42.598 7.652 35.772 1.00 50.46 O HETATM 2377 O HOH B2103 46.688 9.873 38.391 1.00 35.44 O HETATM 2378 O HOH B2104 37.438 14.586 27.393 1.00 40.26 O HETATM 2379 O HOH B2105 38.368 10.359 29.545 1.00 29.58 O HETATM 2380 O HOH B2106 50.087 18.315 31.865 1.00 52.25 O HETATM 2381 O HOH B2107 40.939 10.776 32.421 1.00 52.88 O HETATM 2382 O HOH B2108 42.257 11.029 28.950 1.00 35.40 O HETATM 2383 O HOH B2109 42.859 11.424 34.544 1.00 42.56 O HETATM 2384 O HOH B2110 44.757 22.522 33.895 1.00 8.22 O HETATM 2385 O HOH B2111 50.104 20.924 31.440 1.00 21.61 O HETATM 2386 O HOH B2112 54.199 25.427 29.471 1.00 37.27 O HETATM 2387 O HOH B2113 43.647 31.438 22.318 1.00 27.99 O HETATM 2388 O HOH B2114 43.601 33.548 24.389 1.00 23.08 O HETATM 2389 O HOH B2115 45.108 33.195 20.945 1.00 14.96 O HETATM 2390 O HOH B2116 49.841 40.636 27.171 1.00 23.93 O HETATM 2391 O HOH B2117 52.006 38.255 24.039 1.00 26.61 O HETATM 2392 O HOH B2118 51.721 34.632 31.482 1.00 33.48 O HETATM 2393 O HOH B2119 49.749 35.864 33.230 1.00 38.99 O HETATM 2394 O HOH B2120 54.830 28.044 25.183 1.00 17.60 O HETATM 2395 O HOH B2121 52.427 30.911 32.619 1.00 31.30 O HETATM 2396 O HOH B2122 44.492 29.564 34.561 1.00 9.20 O HETATM 2397 O HOH B2123 29.119 15.127 49.798 1.00 11.97 O HETATM 2398 O HOH B2124 19.662 14.135 54.945 1.00 18.41 O HETATM 2399 O HOH B2125 26.367 4.214 51.166 1.00 39.41 O HETATM 2400 O HOH B2126 29.258 8.865 54.169 1.00 15.18 O HETATM 2401 O HOH B2127 31.813 4.506 47.465 1.00 23.65 O HETATM 2402 O HOH B2128 22.367 7.483 46.342 1.00 10.95 O HETATM 2403 O HOH B2129 18.772 5.615 40.445 1.00 11.69 O HETATM 2404 O HOH B2130 21.300 4.948 45.113 1.00 14.79 O HETATM 2405 O HOH B2131 26.572 1.373 45.936 1.00 58.05 O HETATM 2406 O HOH B2132 13.924 0.148 39.928 1.00 50.10 O HETATM 2407 O HOH B2133 22.342 -2.375 43.395 1.00 34.79 O HETATM 2408 O HOH B2134 13.474 0.426 42.470 1.00 59.24 O HETATM 2409 O HOH C2228 34.510 36.590 19.389 1.00 45.11 O HETATM 2410 O HOH C2229 41.463 31.926 20.805 1.00 35.17 O HETATM 2411 O HOH C2230 39.861 34.104 21.180 1.00 58.30 O HETATM 2412 O HOH C2231 34.118 33.683 20.891 1.00 32.07 O CONECT 1071 2033 CONECT 1999 2000 2001 2009 CONECT 2000 1999 CONECT 2001 1999 2002 CONECT 2002 2001 2003 CONECT 2003 2002 2004 2008 CONECT 2004 2003 2005 CONECT 2005 2004 2006 CONECT 2006 2005 2007 CONECT 2007 2006 2008 CONECT 2008 2003 2007 CONECT 2009 1999 CONECT 2028 2051 CONECT 2033 1071 2034 2038 CONECT 2034 2033 2035 CONECT 2035 2034 2036 2037 CONECT 2036 2035 CONECT 2037 2035 2049 CONECT 2038 2033 2039 2040 CONECT 2039 2038 CONECT 2040 2038 2041 2051 CONECT 2041 2040 2048 CONECT 2042 2043 2047 CONECT 2043 2042 2044 CONECT 2044 2043 2045 CONECT 2045 2044 2046 CONECT 2046 2045 2047 CONECT 2047 2042 2046 2049 CONECT 2048 2041 2050 2052 CONECT 2049 2037 2047 CONECT 2050 2048 CONECT 2051 2028 2040 CONECT 2052 2048 END